BioMedGraphica_Conn_ID,BioMedGraphica_ID,PubChem_Canonical_SMILES,UNII_SMILES,InChI,InChIKEY
BMGC_DG00001,BMG_DG000018,CC(=C[C@H]1C2=C([C@@H]([C@@]3(N1C(=O)[C@@H]4CCCN4C3=O)O)O)C5=C(N2)C=C(C=C5)OC)C,,"InChI=1S/C22H25N3O5/c1-11(2)9-16-18-17(13-7-6-12(30-3)10-14(13)23-18)19(26)22(29)21(28)24-8-4-5-15(24)20(27)25(16)22/h6-7,9-10,15-16,19,23,26,29H,4-5,8H2,1-3H3/t15-,16-,19-,22+/m0/s1",CPHRCQUGNAGVIB-FWJAZRMLSA-N
BMGC_DG00002,BMG_DG000025,,C(CC)(C)c1cc(N)c(O)cc1,,XKJRYOAGNVYYIU-UHFFFAOYSA-N
BMGC_DG00003,BMG_DG000029,,c12c([C@]3([C@](C(O1)(C)C)(CC=C(C3)C)[H])[H])c(cc(c2)C4(SCCS4)CCCCCC)O,,JECXXFXYJAQVAH-WOJBJXKFSA-N
BMGC_DG00004,BMG_DG000037,,C1(CCCCC1)(C(=O)O)CCN2C[C@@]3([C@H](c4c5cc(ccc5[nH]c4C[C@@]3([H])CC2)C(F)(F)F)C)[H],,WAOZNBXSEVIAGX-MBOZVWFJSA-N
BMGC_DG00005,BMG_DG000045,,C1(NC(=O)NC1)=O,,WJRBRSLFGCUECM-UHFFFAOYSA-N
BMGC_DG00006,BMG_DG000050,CC(C)(CC1=CC=C(C=C1)Cl)N,C(Cc1ccc(cc1)Cl)(N)(C)C,"InChI=1S/C10H14ClN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3",ZCKAMNXUHHNZLN-UHFFFAOYSA-N
BMGC_DG00007,BMG_DG000053,,c1(cccc2ccccc12)S(=O)(=O)NCCN3CCC(CC3)CNCC4CCCc5c(C4)cc(cc5)OC,,ITJLZSOZZWEOJL-UHFFFAOYSA-N
BMGC_DG00008,BMG_DG000065,,c1(cccnc1)N,,CUYKNJBYIJFRCU-UHFFFAOYSA-N
BMGC_DG00009,BMG_DG000067,C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N,c1(c[nH]c2c1cccc2)C[C@H](NC(=O)[C@H](CCC(=O)O)N)C(O)=O,"InChI=1S/C16H19N3O5/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/m0/s1",LLEUXCDZPQOJMY-AAEUAGOBSA-N
BMGC_DG00010,BMG_DG000070,C1=CC=C(C=C1)CCN,NCCc1ccccc1,"InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2",BHHGXPLMPWCGHP-UHFFFAOYSA-N
BMGC_DG00011,BMG_DG000086,,NC(=N)SCCF,,OOOBJDSBUDMEPW-UHFFFAOYSA-N
BMGC_DG00012,BMG_DG000097,CC[C@H]1C(=O)NC2(S1)CCN(CC2)C,S1[C@H](C(NC21CCN(CC2)C)=O)CC,"InChI=1S/C10H18N2OS/c1-3-8-9(13)11-10(14-8)4-6-12(2)7-5-10/h8H,3-7H2,1-2H3,(H,11,13)/t8-/m0/s1",PHOZOHFUXHPOCK-QMMMGPOBSA-N
BMGC_DG00013,BMG_DG000109,,c1c(cccn1)CC(C(=O)O)(P(=O)(O)O)O,,FJVYPXVLXQXDHM-UHFFFAOYSA-N
BMGC_DG00014,BMG_DG000115,COC1=C(C=C(C=C1)C[C@@H](C2=CC(=C(C(=C2)OC)OC)OC)O)O,,"InChI=1S/C18H22O6/c1-21-15-6-5-11(8-14(15)20)7-13(19)12-9-16(22-2)18(24-4)17(10-12)23-3/h5-6,8-10,13,19-20H,7H2,1-4H3/t13-/m0/s1",LGZKGOGODCLQHG-ZDUSSCGKSA-N
BMGC_DG00015,BMG_DG000116,CN(C)CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl,CN(Cc1nc2c(c(cc(c2cc1)Cl)Cl)O)C,"InChI=1S/C12H12Cl2N2O/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7/h3-5,17H,6H2,1-2H3",YZPOQCQXOSEMAZ-UHFFFAOYSA-N
BMGC_DG00016,BMG_DG000121,CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)O)OC,,"InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3",QEGXAAUCDUFHPJ-UHFFFAOYSA-N
BMGC_DG00017,BMG_DG000127,,NC(C)Cc1c2c(OCC2)c(Br)c3c1OCC3,,FKRREVSELFOLDT-UHFFFAOYSA-N
BMGC_DG00018,BMG_DG000131,,,,
BMGC_DG00019,BMG_DG000139,,c1c2S(NC(c2ccc1[N+]([O-])=O)=O)(=O)=O,,HZZFBUZSKAVIOV-UHFFFAOYSA-N
BMGC_DG00020,BMG_DG000153,,O=S1(=O)c2c(cc(s2)S(N)(=O)=O)[C@H](CN1CCCOC)N,,MVBJPOIMDXIBKC-QMMMGPOBSA-N
BMGC_DG00021,BMG_DG000164,COC1=CC(=CC(=C1OC)C(=O)NC[C@@H]2CCCN2CC=C)CCCF,c1(c(c(cc(c1)CCCF)OC)OC)C(NC[C@H]2N(CC=C)CCC2)=O,"InChI=1S/C20H29FN2O3/c1-4-10-23-11-6-8-16(23)14-22-20(24)17-12-15(7-5-9-21)13-18(25-2)19(17)26-3/h4,12-13,16H,1,5-11,14H2,2-3H3,(H,22,24)/t16-/m0/s1",OABRYNHZQBZDMG-INIZCTEOSA-N
BMGC_DG00022,BMG_DG000165,,C(c1c(cc(cc1)Cl)Cl)(=O)NS(=O)(=O)c2ccc(cc2)Cl,,DHKRVOSGULPXFM-UHFFFAOYSA-N
BMGC_DG00023,BMG_DG000166,,Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc4ccc5c(c4)OCO5,,CHUHMZZQHYOKBF-UHFFFAOYSA-N
BMGC_DG00024,BMG_DG000169,,c1(c(ccc(c1O)C(/C=C/c2ccc(cc2)O)=O)OC)CC(C(C)=C)OO,,AJERVVHSERWGFL-UXBLZVDNSA-N
BMGC_DG00025,BMG_DG000171,,c1(nc(cc(n1)-c2c(ccc(c2)Cl)C)Nc3ccc(cc3)C(F)(F)F)N,,VHGZTJJXZVYRMV-UHFFFAOYSA-N
BMGC_DG00026,BMG_DG000187,,,,
BMGC_DG00027,BMG_DG000197,CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)C(C)C,[C@]12([C@](/C(=C/C=C/3\C([C@@H](O)C[C@@H](C3)O)=C)/CCC1)(CC[C@@]2([C@@H](CC[C@H](C(C)C)CC)C)[H])[H])C,"InChI=1S/C29H48O2/c1-7-22(19(2)3)11-10-20(4)26-14-15-27-23(9-8-16-29(26,27)6)12-13-24-17-25(30)18-28(31)21(24)5/h12-13,19-20,22,25-28,30-31H,5,7-11,14-18H2,1-4,6H3/b23-12+,24-13-/t20-,22-,25-,26-,27+,28+,29-/m1/s1",NWFOBODUYTUMNC-VPSCEVSQSA-N
BMGC_DG00028,BMG_DG000201,CCCCCON=O,O=NOCCCCC,"InChI=1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3",CSDTZUBPSYWZDX-UHFFFAOYSA-N
BMGC_DG00029,BMG_DG000202,CC(C)OC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)C4=CC(=C(C=C4)F)F,C=1(c2c(C(CN(C(c3ccc(F)c(c3)F)=O)C1)(C)C)c4c([nH]2)cccc4)C(=O)OC(C)C,"InChI=1S/C25H24F2N2O3/c1-14(2)32-24(31)17-12-29(23(30)15-9-10-18(26)19(27)11-15)13-25(3,4)21-16-7-5-6-8-20(16)28-22(17)21/h5-12,14,28H,13H2,1-4H3",INASOKQDNHHMRE-UHFFFAOYSA-N
BMGC_DG00030,BMG_DG000217,C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F,c1(nn(-c2ccc(cc2)NC(CN)=O)c(c1)-c3cc4ccc5c(c4cc3)cccc5)C(F)(F)F,"InChI=1S/C26H19F3N4O/c27-26(28,29)24-14-23(33(32-24)20-10-8-19(9-11-20)31-25(34)15-30)18-7-12-22-17(13-18)6-5-16-3-1-2-4-21(16)22/h1-14H,15,30H2,(H,31,34)",YULUCECVQOCQFQ-UHFFFAOYSA-N
BMGC_DG00031,BMG_DG000218,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O,,"InChI=1S/C30H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)31-23-22-26-25-32-29-21-20-27(33)24-28(26)29/h6-7,9-10,12-13,15-16,20-21,24-25,32-33H,2-5,8,11,14,17-19,22-23H2,1H3,(H,31,34)/b7-6-,10-9-,13-12-,16-15-",QJDNHGXNNRLIGA-DOFZRALJSA-N
BMGC_DG00032,BMG_DG000224,,C(COc1cc(c(c(c1)C)Cc2cc(c(c(c2)C#Cc3ccc(cc3)[N+](=O)[O-])O)C(C)C)C)(=O)O,,IXMROOKFPWGDGF-UHFFFAOYSA-N
BMGC_DG00033,BMG_DG000239,C1CCN(CC1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(C(=O)NC5=O)C6=CN=C7N6C=CC=C7,N1(C(N2CCCCC2)=O)CCn3cc(c4cc(cc(c43)C1)F)C5=C(c6cnc7n6cccc7)C(=O)NC5=O,"InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)",HRJWTAWVFDCTGO-UHFFFAOYSA-N
BMGC_DG00034,BMG_DG000243,C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3Cl)N)O)OP(=O)(O1)O,n1(c(nc2c1ncnc2N)Cl)[C@H]3[C@@H]([C@@H]4OP(=O)(O)OC[C@H]4O3)O,"InChI=1S/C10H11ClN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)/t3-,5-,6-,9-/m1/s1",CLLFEJLEDNXZNR-UUOKFMHZSA-N
BMGC_DG00035,BMG_DG000245,OP(=O)(O)[O-],,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1",NBIIXXVUZAFLBC-UHFFFAOYSA-M
BMGC_DG00036,BMG_DG000254,C1=CC(=C(C(=C1)O)C(=O)CCCCCCCCC2=CC(=C(C=C2)O)O)O,O=C(CCCCCCCCc1ccc(O)c(O)c1)c2c(O)cccc2O,"InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2",HCOZRFYGIFMIEX-UHFFFAOYSA-N
BMGC_DG00037,BMG_DG000274,CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3C,c1(-c2c(oc3c(c2)ccc(N(CC)CC)c3)=O)nc4ccccc4n1C,"InChI=1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3",KZFUMWVJJNDGAU-UHFFFAOYSA-N
BMGC_DG00038,BMG_DG000281,CC[C@H]1/C=C(/[C@H](C/C=C/C=C(/C(=O)O[C@@H](C/C=C(/C=C(/[C@@H]1O[C@H]2[C@H]([C@H]([C@@H](C(O2)(C)C)OC(=O)C(C)C)O)O)\C)\C)[C@@H](C)O)\CO[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)\C,C\1[C@H](O)\C(\C)=C\[C@H](CC)[C@@H](O[C@]2([C@H]([C@H]([C@@H](C(O2)(C)C)OC(C(C)C)=O)O)O)[H])\C(\C)=C\C(\C)=C\C[C@@H]([C@H](O)C)OC(/C(=C/C=C1)/CO[C@@H]3O[C@H](C)[C@@H](OC(c4c(c(c(c(c4O)Cl)O)Cl)CC)=O)[C@H](O)[C@@H]3OC)=O,"InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34+,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1",ZVGNESXIJDCBKN-UUEYKCAUSA-N
BMGC_DG00039,BMG_DG000295,CSC(=O)NCC1=CNC2=CC=CC=C21,,"InChI=1S/C11H12N2OS/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)",GHGDPZHQDKPWOJ-UHFFFAOYSA-N
BMGC_DG00040,BMG_DG000309,,[C@H]1([C@H](CCC1)Cc2ccc(cc2)[C@@H](C(O)=O)C)O,,SHAHPWSYJFYMRX-GDLCADMTSA-N
BMGC_DG00041,BMG_DG000329,,O=c1cc(N2CCOCC2)nc3c4ccccc4ccn13,,BVRDQVRQVGRNHG-UHFFFAOYSA-N
BMGC_DG00042,BMG_DG000330,,,,
BMGC_DG00043,BMG_DG000334,,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC1)[H])(CCC(=O)C4)[H])[H])(CC[C@@H]2O)[H])CC;C1(CC[C@@]2([C@]3(CC[C@@]4([C@H](CC[C@]4([C@@]3(CCC2=C1)[H])[H])O)CC)[H])[H])=O,,FBYZQDCRLYHHHP-ZOFHRBRSSA-N
BMGC_DG00044,BMG_DG000336,OP(=O)(O)O,OP(=O)(O)O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",NBIIXXVUZAFLBC-UHFFFAOYSA-N
BMGC_DG00045,BMG_DG000348,C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC=C)O,C=CC[C@]1([C@@]2([C@]([C@@]3(CCC=4C(=C3C=C2)CCC(=O)C4)[H])(CC1)[H])C)O,"InChI=1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,11,13,18-19,23H,1,4-7,9-10,12H2,2H3/t18-,19+,20+,21+/m1/s1",VWAUPFMBXBWEQY-ANULTFPQSA-N
BMGC_DG00046,BMG_DG000367,C(CCl)NP(=O)(NCCCl)O,N(CCCl)P(NCCCl)(=O)O,"InChI=1S/C4H11Cl2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10)",BKCJZNIZRWYHBN-UHFFFAOYSA-N
BMGC_DG00047,BMG_DG000368,,,,
BMGC_DG00048,BMG_DG000386,,N(C1CCN(Cc2ccccc2)CC1)(c3ccccc3)C(=O)c4ccccc4,,TVPYSIMEYHFHLN-UHFFFAOYSA-N
BMGC_DG00049,BMG_DG000396,C1COCCN1CCN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC5=CC=CC=C54,C(=O)(c1cccc2ccccc12)c3cn(c4ccccc34)CCN5CCOCC5,"InChI=1S/C25H24N2O2/c28-25(22-10-5-7-19-6-1-2-8-20(19)22)23-18-27(24-11-4-3-9-21(23)24)13-12-26-14-16-29-17-15-26/h1-11,18H,12-17H2",SZWYXJHTNGJPKU-UHFFFAOYSA-N
BMGC_DG00050,BMG_DG000410,C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=CC=N3,C(Nc1ncccc1)(=O)Cc2ccc(cc2)-c3ccccc3,"InChI=1S/C19H16N2O/c22-19(21-18-8-4-5-13-20-18)14-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-13H,14H2,(H,20,21,22)",PWHROYKAGRUWDQ-UHFFFAOYSA-N
BMGC_DG00051,BMG_DG000411,C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C(=O)O,c1(ccc(cc1)-n2nc(cc2-c3ccc(cc3)C(O)=O)C(F)(F)F)S(=O)(=O)N,"InChI=1S/C17H12F3N3O4S/c18-17(19,20)15-9-14(10-1-3-11(4-2-10)16(24)25)23(22-15)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H,24,25)(H2,21,26,27)",WTHNOVFEXONZMI-UHFFFAOYSA-N
BMGC_DG00052,BMG_DG000418,,Clc1cc(ccc1)[C@H](CNCCc2ccc(cc2)-c3cc(c(cc3)C(=O)O)OC)O,,IBPCNRNTIRZRJZ-QFIPXVFZSA-N
BMGC_DG00053,BMG_DG000425,,[N+]([O-])(=O)c1cc2c(nc([nH]2)-c3ccccn3)cc1,,VRZGTMSSHMHGPC-UHFFFAOYSA-N
BMGC_DG00054,BMG_DG000427,COC1=C(C=C2C(=C1)C(=C3C(=C2O)COC3=O)C4=CC5=C(C=C4)OCO5)OC,c12c(c(-c3cc4OCOc4cc3)c5c(c1O)cc(c(OC)c5)OC)C(=O)OC2,"InChI=1S/C21H16O7/c1-24-15-6-11-12(7-16(15)25-2)20(22)13-8-26-21(23)19(13)18(11)10-3-4-14-17(5-10)28-9-27-14/h3-7,22H,8-9H2,1-2H3",VMEJANRODATDOF-UHFFFAOYSA-N
BMGC_DG00055,BMG_DG000433,C=C(C(=O)O)OP(=O)(O)O,O=P(OC(C(=O)O)=C)(O)O,"InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)",DTBNBXWJWCWCIK-UHFFFAOYSA-N
BMGC_DG00056,BMG_DG000437,,,,
BMGC_DG00057,BMG_DG000441,,N(C(=O)Nc1cc(ccc1)-c2nnnn2C)[C@@H]([C@H](CN3C[C@@H](CCC3)Cc4ccc(cc4)F)O)C,,JTVSGNGYUGCQJP-FHJLPGHOSA-N
BMGC_DG00058,BMG_DG000451,,c1(sc(Sc2ncncc2)nc1)[N+]([O-])=O,,SPNKLYOUOJJHBK-UHFFFAOYSA-N
BMGC_DG00059,BMG_DG000452,CCNC1(CCN(CC1)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl)C(=O)N,c1(ccc(cc1)-n2c3c(nc2-c4ccccc4Cl)c(ncn3)N5CCC(CC5)(NCC)C(N)=O)Cl,"InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)",UNAZAADNBYXMIV-UHFFFAOYSA-N
BMGC_DG00060,BMG_DG000459,,O[C@H]1[C@H](Oc2ccc(C[C@@H]3[C@@H](Cc4cc(c(cc4)OC)OC)COC3=O)cc2OC)O[C@@H]([C@@H](O)[C@@H]1O)CO,,XOJVHLIYNSOZOO-SWOBOCGESA-N
BMGC_DG00061,BMG_DG000482,CN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)CC1=CC=CC=C1OC)CC2=CC=CC=C2OC,,"InChI=1S/C40H66N4O4/c1-41(33-35-23-15-17-25-37(35)47-5)29-19-11-13-27-39(45)43(3)31-21-9-7-8-10-22-32-44(4)40(46)28-14-12-20-30-42(2)34-36-24-16-18-26-38(36)48-6/h15-18,23-26H,7-14,19-22,27-34H2,1-6H3",HDAQKLAKMZNBQB-UHFFFAOYSA-N
BMGC_DG00062,BMG_DG000489,C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N,,"InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1",CJAORFIPPWIGPG-QXYJMILXSA-N
BMGC_DG00063,BMG_DG000520,,CC(C)c1cc(Cl)cc(C(C)C)c1O,,ZRTAKZQCHCQFAB-UHFFFAOYSA-N
BMGC_DG00064,BMG_DG000529,,O(C)c1c2c(c3c(c1)cccc3)cc([N+](=O)[O-])o2,,FJXJAAFKONAPKR-UHFFFAOYSA-N
BMGC_DG00065,BMG_DG000532,C(CCCOS(=O)(=O)N)CCCOS(=O)(=O)N,S(=O)(=O)(N)OCCCCCCCOS(=O)(=O)N,"InChI=1S/C7H18N2O6S2/c8-16(10,11)14-6-4-2-1-3-5-7-15-17(9,12)13/h1-7H2,(H2,8,10,11)(H2,9,12,13)",GOJJWDOZNKBUSR-UHFFFAOYSA-N
BMGC_DG00066,BMG_DG000534,,C(#N)c1c(=O)[nH]c(O)cc1,,BFHKYHMCIAMQIN-UHFFFAOYSA-N
BMGC_DG00067,BMG_DG000559,,,,
BMGC_DG00068,BMG_DG000560,,,,
BMGC_DG00069,BMG_DG000561,,,,
BMGC_DG00070,BMG_DG000562,,O=C1C=C(c2cccc(O)c2)S(=O)(=O)N1,,FJABEDRGNJSWCC-UHFFFAOYSA-N
BMGC_DG00071,BMG_DG000563,,c1(cnc(c(c1/C=N/CCCC[C@@H](C(O)=O)N)O)C)COP(=O)(O)O,,YQSOQJORMNSDJL-QFULYMJESA-N
BMGC_DG00072,BMG_DG000564,C[S@@](=O)CC[C@@H](C(=O)O)N,,"InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1",QEFRNWWLZKMPFJ-ZXPFJRLXSA-N
BMGC_DG00073,BMG_DG000568,,c1(c(c(c2c(o1)c3c(cc2)occ3)=O)OC)-c4ccccc4,,LKPQNZRGGNOPPU-UHFFFAOYSA-N
BMGC_DG00074,BMG_DG000569,CCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1,O=c1c2c([nH]c(CCCCCCCCCCC)c1)cccc2,"InChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21-17/h11-12,14-16H,2-10,13H2,1H3,(H,21,22)",KKSIGOUTTVXAKQ-UHFFFAOYSA-N
BMGC_DG00075,BMG_DG000586,,[C@]12([C@]([C@]3([C@](CC1=O)([C@@](C)(O)CC3)C)[H])(CCC=4[C@@]2(CCC(C4)=O)C)[H])F,,YUMWOIMGKYOLOA-MWTXUKJESA-N
BMGC_DG00076,BMG_DG000592,,C1(=C(C(C=C(C1=O)O)=O)O)CCCCCCCCCCCCC,,AMKNOBHCKRZHIO-UHFFFAOYSA-N
BMGC_DG00077,BMG_DG000621,,,,
BMGC_DG00078,BMG_DG000632,,c1(ccc(cc1)-n2nc(cc2-c3ccc(cc3C)C)C(F)(F)F)S(=O)(=O)N,,CDMHSMOZNZFYIK-UHFFFAOYSA-N
BMGC_DG00079,BMG_DG000641,CCC(=O)N(C1=CC=CC=C1)[C@]2(CCN(C[C@H]2C)CCC3=CC=CC=C3)C(=O)OC,,"InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m1/s1",IMYHGORQCPYVBZ-NLFFAJNJSA-N
BMGC_DG00080,BMG_DG000655,CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C,c1(OCC(C)C)ccc(cc1)CNC(=O)N(C2CCN(CC2)C)Cc3ccc(cc3)F,"InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)",RKEWSXXUOLRFBX-UHFFFAOYSA-N
BMGC_DG00081,BMG_DG000658,,,,
BMGC_DG00082,BMG_DG000662,,c1(cc2c(c(c1C/C=C(\C)/CCC=C(C)C)O)c(cc(o2)-c3ccc(c(c3)OC)O)=O)O,,MWGFICMOCSIQMV-LZYBPNLTSA-N
BMGC_DG00083,BMG_DG000672,,,,
BMGC_DG00084,BMG_DG000677,,c1(cc(c(cc1)S(=O)(=O)C)Cl)[C@H](C(=O)Nc2cnc(cn2)[C@@H](CO)O)CC3CCCC3,,MGXHZTQMLYFNMR-CRAIPNDOSA-N
BMGC_DG00085,BMG_DG000682,CN1CCN(CC1)CC2=CN(C3=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4Br,n1(cc(c2cc(ccc12)OC)CN3CCN(CC3)C)S(=O)(=O)c4c(cccc4)Br,"InChI=1S/C21H24BrN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(20-8-7-17(28-2)13-18(16)20)29(26,27)21-6-4-3-5-19(21)22/h3-8,13,15H,9-12,14H2,1-2H3",GWCYPEHWIZXYFZ-UHFFFAOYSA-N
BMGC_DG00086,BMG_DG000688,,[nH]1c2c(c(c3ccccc13)=O)CN([C@@H]2c4cc5CCOc5cc4)c6ncc(cn6)-c7ccc(cc7)OC,,MVMQGWXVSBNFLB-MUUNZHRXSA-N
BMGC_DG00087,BMG_DG000690,CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5,n1cc(-c2nc(sc2)Nc3cc(ccc3C)NC(=O)c4ccc(cc4)CN5CCN(CC5)C)ccc1,"InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)",WJEOLQLKVOPQFV-UHFFFAOYSA-N
BMGC_DG00088,BMG_DG000712,CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/C4=NC=C(C=C4)C5=CC(=CC=C5)F)[C@H](OC3=O)C.OS(=O)(=O)O,c1c(ccc(/C=C/[C@@]2([C@]3([C@@](C[C@]4([C@]2(CC[C@H](C4)NC(OCC)=O)[H])[H])(C(O[C@@H]3C)=O)[H])[H])[H])n1)-c5cc(ccc5)F.S(=O)(=O)(O)O,"InChI=1S/C29H33FN2O4.H2O4S/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18;1-5(2,3)4/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34);(H2,1,2,3,4)/b12-9+;/t17-,20+,23-,24-,25+,26-,27+;/m1./s1",NQRYCIGCIAWEIC-CKLVGUEFSA-N
BMGC_DG00089,BMG_DG000713,CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/C4=NC=C(C=C4)C5=CC(=CC=C5)F)[C@H](OC3=O)C,c1nc(ccc1-c2cc(ccc2)F)/C=C/[C@@]3([C@]4([C@@](C[C@]5([C@]3(CC[C@](C5)(NC(OCC)=O)[H])[H])[H])(C(O[C@@H]4C)=O)[H])[H])[H],"InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1",ZBGXUVOIWDMMJE-QHNZEKIYSA-N
BMGC_DG00090,BMG_DG000714,CN(CC(=O)N)C(=O)N(CCCl)N=O,C(N(N=O)CCCl)(N(CC(=O)N)C)=O,"InChI=1S/C6H11ClN4O3/c1-10(4-5(8)12)6(13)11(9-14)3-2-7/h2-4H2,1H3,(H2,8,12)",HYHJFNXFVPGMBI-UHFFFAOYSA-N
BMGC_DG00091,BMG_DG000727,,c1(c2c(cc3c(c2)CCCN3)oc(c1)=O)C(F)(F)F,,XJDJBMLMMBPNGL-UHFFFAOYSA-N
BMGC_DG00092,BMG_DG000735,C[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC\2CC(C(C(CC(=O)CC(CC(CC(CC(=O)CCCC(=O)CC(=O)OC(C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C2)C)C(C)CC(C)C(CC(=O)C3=CC=C(C=C3)N)O)O)O)O)O)C(=O)O)O)O)N)O,,"InChI=1S/C59H84N2O18/c1-35-18-15-13-11-9-7-5-6-8-10-12-14-16-21-47(78-59-56(74)54(61)55(73)38(4)77-59)33-51(71)53(58(75)76)50(70)31-46(67)30-45(66)29-44(65)28-43(64)27-41(62)19-17-20-42(63)32-52(72)79-57(35)37(3)26-36(2)48(68)34-49(69)39-22-24-40(60)25-23-39/h5-16,18,21-25,35-38,43-45,47-48,50-51,53-57,59,64-66,68,70-71,73-74H,17,19-20,26-34,60-61H2,1-4H3,(H,75,76)/b6-5+,9-7+,10-8+,13-11+,14-12+,18-15+,21-16+/t35?,36?,37?,38-,43?,44?,45?,47?,48?,50?,51?,53?,54+,55-,56+,57?,59?/m1/s1",OPGSFDUODIJJGF-JBUZINEHSA-N
BMGC_DG00093,BMG_DG000739,,c1-2c(c(C)c(cc1)O)CCc3c2c(cc(O)c3)C=C,,GEXAPRXWKRZPCK-UHFFFAOYSA-N
BMGC_DG00094,BMG_DG000758,,NS(=O)(=O)c1ccc(CO)cc1,,UULCVOIRJRJPQS-UHFFFAOYSA-N
BMGC_DG00095,BMG_DG000759,,O=c1c2-c(c3c([nH]c2)cccc3)nn1-c4ccc(OC)cc4,,KSKRJZMRHSNRBX-UHFFFAOYSA-N
BMGC_DG00096,BMG_DG000764,,C(#Cc1ccccn1)c2cc(OC)cnc2,,VRTFKUFTEWQHDD-UHFFFAOYSA-N
BMGC_DG00097,BMG_DG000772,,C([C@@H]1SC[C@]2([H])NC(=O)N[C@@]21[H])CCCCO,,RGIKRHKHRAAZIO-CIUDSAMLSA-N
BMGC_DG00098,BMG_DG000773,,C(C(NC(C)C)=O)N1CCNCC1,,FFOHTSTWXWJGQR-UHFFFAOYSA-N
BMGC_DG00099,BMG_DG000777,C1CCNC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O,C(C1NCCCC1)(c2ccccc2)(c3ccccc3)O,"InChI=1S/C18H21NO/c20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,17,19-20H,7-8,13-14H2",XSWHNYGMWWVAIE-UHFFFAOYSA-N
BMGC_DG00100,BMG_DG000801,,c1ccc(cc1)CCCCCC(=O)c2nc3c(cccn3)o2,,VPZHQLPAKFVGKX-UHFFFAOYSA-N
BMGC_DG00101,BMG_DG000802,,C(C(c1ccccc1)(C2CCCC2)O)(OC3CN(CC)CCC3)=O,,OAWRXBDGRIPUMA-UHFFFAOYSA-N
BMGC_DG00102,BMG_DG000805,,COC1=C(C(=O)/C(=C(\C=C\c2ccccc2)/OC)/C1=O)OC,,KXRUALBXWXRUTD-MDZDMXLPSA-N
BMGC_DG00103,BMG_DG000809,,,,
BMGC_DG00104,BMG_DG000813,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C2C=CC(=C3)O,,"InChI=1S/C18H19NO2S/c1-19-10-9-17(18-6-3-11-22-18)21-16-5-2-4-13-12-14(20)7-8-15(13)16/h2-8,11-12,17,19-20H,9-10H2,1H3/t17-/m0/s1",LEIFDHLVPBJTIV-KRWDZBQOSA-N
BMGC_DG00105,BMG_DG000825,,CC[C@@]1(C(=C(C(O1)=O)OC(C)C)c2ccc(cc2)S(C)(=O)=O)C,,FZYAFLPJDVKKQI-QGZVFWFLSA-N
BMGC_DG00106,BMG_DG000830,,,,
BMGC_DG00107,BMG_DG000832,,c1c2c(c(cn1)Oc3ccc(cc3)C(F)(F)F)cc(s2)C(=O)NC,,PEOGZQMDIONZGY-UHFFFAOYSA-N
BMGC_DG00108,BMG_DG000839,CCC(=O)C(CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,C(c1ccccc1)(c2ccccc2)(CCN(C)C)C(CC)=O,"InChI=1S/C20H25NO/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3",WCJFBSYALHQBSK-UHFFFAOYSA-N
BMGC_DG00109,BMG_DG000843,CC1=NC(=CC=C1)C2=NN3CCCC3=C2C4=C5C=C(C=CC5=NC=C4)C(=O)N,n1c(cccc1-c2c(c3n(n2)CCC3)-c4ccnc5c4cc(cc5)C(N)=O)C,"InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)",IVRXNBXKWIJUQB-UHFFFAOYSA-N
BMGC_DG00110,BMG_DG000845,CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3,c1cc(ccc1OCCNC)/C(/c2ccc(cc2)O)=C(/CC)\c3ccccc3,"InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-",MHJBZVSGOZTKRH-IZHYLOQSSA-N
BMGC_DG00111,BMG_DG000854,C[C@H]1CN(CCN1C)C(=O)C2=CN(C3=C2C=CC=C3OC)CC4CCCCC4,c1(cccc2c(cn(c21)CC3CCCCC3)C(N4CCN([C@H](C4)C)C)=O)OC,"InChI=1S/C23H33N3O2/c1-17-14-25(13-12-24(17)2)23(27)20-16-26(15-18-8-5-4-6-9-18)22-19(20)10-7-11-21(22)28-3/h7,10-11,16-18H,4-6,8-9,12-15H2,1-3H3/t17-/m0/s1",ONXJNAIZJKLJGA-KRWDZBQOSA-N
BMGC_DG00112,BMG_DG000886,C[C@@H](CCCC(C)(C)O)[C@@H]1CC[C@H]\2[C@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22+,23-,24+,25-,27-/m0/s1",GMRQFYUYWCNGIN-ZNGKRLKKSA-N
BMGC_DG00113,BMG_DG000888,,OC1(c2ccc(Br)cc2)CCN(C(c3ccccc3)c4ccccc4)CC1,,FIHWNAAGEWTLGW-UHFFFAOYSA-N
BMGC_DG00114,BMG_DG000894,C[C@]12CC[C@H]3[C@]([C@@H]1CC[C@@H]4[C@@]2(C5=C(C4)C6=CC=CC=C6N5)C)([C@@H](C[C@H](O3)C(C)(C)O)O)C,,"InChI=1S/C28H39NO3/c1-25(2,31)23-15-21(30)27(4)20-11-10-16-14-18-17-8-6-7-9-19(17)29-24(18)28(16,5)26(20,3)13-12-22(27)32-23/h6-9,16,20-23,29-31H,10-15H2,1-5H3/t16-,20+,21+,22-,23-,26-,27+,28+/m0/s1",SVYIMXYKHRBHSG-KYYKPQATSA-N
BMGC_DG00115,BMG_DG000907,,c1(c(c2c(cc(cc2oc1-c3ccc(cc3)O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H]([C@H]4O)O)O)=O)O,,YPWHZCPMOQGCDQ-HMGRVEAOSA-N
BMGC_DG00116,BMG_DG000924,,,,
BMGC_DG00117,BMG_DG000926,,,,
BMGC_DG00118,BMG_DG000928,,c1(ccc(cc1)-n2nc(cc2-c3cc4ccc5ccccc5c4cc3)C(F)(F)F)S(=O)(=O)N,,HNXYHZZMVJBSRC-UHFFFAOYSA-N
BMGC_DG00119,BMG_DG000931,CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C,CC#CCn1c2c(nc1N3CCC[C@H](C3)N)n(C)c(=O)n(Cc4nc(C)c5ccccc5n4)c2=O,"InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1",LTXREWYXXSTFRX-QGZVFWFLSA-N
BMGC_DG00120,BMG_DG000960,C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5C(=O)C4=C3C)C)O)C)NC1,[C@@]12(C(=C3[C@]([C@@]4(CC=C5[C@@]([C@]4(C3=O)[H])(CC[C@@H](C5)O)C)[H])(CC1)[H])C)O[C@@]6(C[C@H](C)CN[C@]6([C@H]2C)[H])[H],"InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1",CLEXYFLHGFJONT-DNMILWOZSA-N
BMGC_DG00121,BMG_DG000991,CCC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCC(CC2)(C3=CC=CC=C3)C(=O)OC)C4=CC(=C(C=C4)F)F)C(=O)N,,"InChI=1S/C30H35F2N5O5/c1-3-23-24(26(33)38)25(19-10-11-21(31)22(32)18-19)37(29(41)35-23)28(40)34-14-7-15-36-16-12-30(13-17-36,27(39)42-2)20-8-5-4-6-9-20/h4-6,8-11,18,25H,3,7,12-17H2,1-2H3,(H2,33,38)(H,34,40)(H,35,41)",YCUQRVLXIFFFNB-UHFFFAOYSA-N
BMGC_DG00122,BMG_DG000996,CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C,[C@@]([C@@H](CN(C)C)C)(OC(=O)CC)(Cc1ccccc1)c2ccccc2,"InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1",XLMALTXPSGQGBX-GCJKJVERSA-N
BMGC_DG00123,BMG_DG000999,CSCC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)N,NC(=N)NCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)CCSC)C(=O)N[C@H](C(N)=O)Cc2ccccc2,"InChI=1S/C29H42N8O4S/c1-42-16-14-23(35-26(39)21(30)17-19-9-4-2-5-10-19)28(41)36-22(13-8-15-34-29(32)33)27(40)37-24(25(31)38)18-20-11-6-3-7-12-20/h2-7,9-12,21-24H,8,13-18,30H2,1H3,(H2,31,38)(H,35,39)(H,36,41)(H,37,40)(H4,32,33,34)/t21-,22-,23-,24-/m0/s1",WCSPDMCSKYUFBX-ZJZGAYNASA-N
BMGC_DG00124,BMG_DG001017,CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)C=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C,,"InChI=1S/C21H30N4O12/c1-9(2)18(21(37)24-12(6-16(31)32)14(28)8-26)25-19(35)11(4-5-15(29)30)23-20(36)13(7-17(33)34)22-10(3)27/h8-9,11-13,18H,4-7H2,1-3H3,(H,22,27)(H,23,36)(H,24,37)(H,25,35)(H,29,30)(H,31,32)(H,33,34)/t11-,12-,13-,18-/m0/s1",LUOWSNAZOQEWCS-RSLFNQERSA-N
BMGC_DG00125,BMG_DG001018,CCC(=O)C1(CCN(CC1)C)C2=CC(=CC=C2)O,C1(c2cc(ccc2)O)(CCN(C)CC1)C(CC)=O,"InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3",ALFGKMXHOUSVAD-UHFFFAOYSA-N
BMGC_DG00126,BMG_DG001021,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+].[K+].[Bi+3],[Bi+3].[K+].[O-]C(=O)CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[O-]C(=O)CC(O)(CC(=O)[O-])C(=O)[O-],"InChI=1S/2C6H8O7.Bi.3K/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;/q;;+3;3*+1/p-6",ZQUAVILLCXTKTF-UHFFFAOYSA-H
BMGC_DG00127,BMG_DG001031,C[N@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)/C(=C/C(=O)OCCC[N@+]4(CCC5=CC(=C(C=C5[C@@H]4C6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C)/Cl,c1(cc(c(c(c1)OC)OC)OC)[C@@H]2[N@+](CCc3cc(c(cc32)OC)OC)(CCCOC(/C=C(/C(OCCC[N@@+]4(CCc5cc(c(cc5[C@H]4Cc6cc(c(c(OC)c6)OC)OC)OC)OC)C)=O)\Cl)=O)C,"InChI=1S/C53H69ClN2O14/c1-55(19-15-34-26-41(59-3)43(61-5)30-37(34)40(55)23-33-24-45(63-7)51(67-11)46(25-33)64-8)17-13-22-70-53(58)39(54)32-49(57)69-21-14-18-56(2)20-16-35-27-42(60-4)44(62-6)31-38(35)50(56)36-28-47(65-9)52(68-12)48(29-36)66-10/h24-32,40,50H,13-23H2,1-12H3/q+2/b39-32-/t40-,50+,55-,56+/m1/s1",ZQLDXCSTJFLRPY-RWBXLJKRSA-N
BMGC_DG00128,BMG_DG001044,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O.C([C@@H]([C@@H]1C(=C(C(=O)O1)[O-])[O-])O)O.[Fe+2],,"InChI=1S/2C6H8O6.Fe/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*2,5,7-10H,1H2;/q;;+2/p-2/t2*2-,5+;/m00./s1",RFBYLSCVRUTUSB-ZZMNMWMASA-L
BMGC_DG00129,BMG_DG001079,,c1(c2c(CC(CC2)O)nc3c1cccc3)N,,WGAVIJGEWZDOOU-UHFFFAOYSA-N
BMGC_DG00130,BMG_DG001087,,O1[C@@H]2[C@H]1C=Cc3c2c4c5c6c(cc4)cccc6ccc5c3,,GOEJUYABKOTLJA-OXQOHEQNSA-N
BMGC_DG00131,BMG_DG001121,,C(C(C)c1ccc(cc1)CC(C)C)(=O)N,,REUQKCDCQVNKLW-UHFFFAOYSA-N
BMGC_DG00132,BMG_DG001122,,c1c2c(cc(n1)C(=O)N[C@H]3C[N@@]4CC[C@H](C3)C4)cco2,,PTGWFYYEAUFEAS-ZYHUDNBSSA-N
BMGC_DG00133,BMG_DG001125,,c1(C=2CN(C)CCC2)c(nsn1)SCCCF,,NQKPPQNBFQLLIZ-UHFFFAOYSA-N
BMGC_DG00134,BMG_DG001127,CNC1=C(C=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O)F,c1(cc2sc(-c3ccc(c(c3)F)NC)nc2cc1)O,"InChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3",VVECGOCJFKTUAX-UHFFFAOYSA-N
BMGC_DG00135,BMG_DG001132,,c1cc2c(cc1)cccc2O[C@H](c3sccc3)CCN,,ZMXLKLOJDLMZFC-INIZCTEOSA-N
BMGC_DG00136,BMG_DG001159,,s1c(nc2c1cccc2)C(C#N)c3nc(ncc3)NCCc4cnccc4,,RCYPVQCPYKNSTG-UHFFFAOYSA-N
BMGC_DG00137,BMG_DG001197,C(=O)([O-])[O-].[Ca+2],C([O-])([O-])=O.[Ca+2],"InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",VTYYLEPIZMXCLO-UHFFFAOYSA-L
BMGC_DG00138,BMG_DG001200,C1=CC(=C(C=C1I)Cl)NC2=C(C=CC(=C2F)F)C(=O)O,O=C(O)c1ccc(F)c(F)c1Nc2ccc(I)cc2Cl,"InChI=1S/C13H7ClF2INO2/c14-8-5-6(17)1-4-10(8)18-12-7(13(19)20)2-3-9(15)11(12)16/h1-5,18H,(H,19,20)",XCNBGWKQXRQKSA-UHFFFAOYSA-N
BMGC_DG00139,BMG_DG001201,C(CCC(=O)O)CC(C(=O)O)N,C(=O)(C(N)CCCCC(=O)O)O,"InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)",JUQLUIFNNFIIKC-UHFFFAOYSA-N
BMGC_DG00140,BMG_DG001202,,COc1cc2CC(Cc3cc[n+](cc3)Cc4ccccc4)C(=O)c2cc1OC,,RCRQOFLAAVCAGE-UHFFFAOYSA-N
BMGC_DG00141,BMG_DG001237,CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N,c12c(nn(c1C)C)cc(N(c3nc(Nc4cc(S(=O)(=O)N)c(C)cc4)ncc3)C)cc2,"InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)",CUIHSIWYWATEQL-UHFFFAOYSA-N
BMGC_DG00142,BMG_DG001238,C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O,C=12[C@]([C@@]3(CC[C@@]4([C@@]([C@]3(C(C1)=O)[H])(CC[C@H](O)C4(C)C)C)[H])C)(CC[C@@]5([C@]2(C[C@](C(=O)O)(C)CC5)[H])C)C,"InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1",MPDGHEJMBKOTSU-YKLVYJNSSA-N
BMGC_DG00143,BMG_DG001243,,,,
BMGC_DG00144,BMG_DG001246,C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C(C(=CC=C4)Cl)Cl,C(COc1ccc2ccc(=O)[nH]c2c1)CCN3CCN(CC3)c4cccc(Cl)c4Cl,"InChI=1S/C23H25Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-9,16H,1-2,10-15H2,(H,26,29)",CDONPRYEWWPREK-UHFFFAOYSA-N
BMGC_DG00145,BMG_DG001272,C[C@H](CN(C1=CC=CC=N1)C(=O)C2=CC=C(C=C2)C#N)N3CCN(CC3)C4=C5C(=CC=C4)OCCO5,c1ccc(c2OCCOc21)N3CCN([C@@H](CN(c4ccccn4)C(c5ccc(cc5)C#N)=O)C)CC3,"InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1",NRPQELCNMADTOZ-OAQYLSRUSA-N
BMGC_DG00146,BMG_DG001282,COCCOC1=CC=C(C=C1)N2CCN(CC2)CCN3C4=C(C=N3)C5=NC(=NN5C(=N4)N)C6=CC=CO6,n12c(c3cnn(c3nc1N)CCN4CCN(CC4)c5ccc(cc5)OCCOC)nc(n2)-c6occc6,"InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)",DTYWJKSSUANMHD-UHFFFAOYSA-N
BMGC_DG00147,BMG_DG001301,CN1C2=C(C=C(C=C2)N(C)C)C(=O)N(C1=O)C3=CC=C(C=C3)C[C@@H](C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl,O=c1c2c(ccc(c2)N(C)C)n(C)c(=O)n1-c3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(O)=O)cc3,"InChI=1S/C27H24Cl2N4O5/c1-31(2)17-11-12-22-18(14-17)25(35)33(27(38)32(22)3)16-9-7-15(8-10-16)13-21(26(36)37)30-24(34)23-19(28)5-4-6-20(23)29/h4-12,14,21H,13H2,1-3H3,(H,30,34)(H,36,37)/t21-/m0/s1",YQKBOUPIOWUMTE-NRFANRHFSA-N
BMGC_DG00148,BMG_DG001381,,c12c(cccc1CC[C@H](N(CCC)CCC)C2)O,,ASXGJMSKWNBENU-AWEZNQCLSA-N
BMGC_DG00149,BMG_DG001383,,,,
BMGC_DG00150,BMG_DG001393,,NS(CCN)(=O)=O,,MVQXBXLDXSQURK-UHFFFAOYSA-N
BMGC_DG00151,BMG_DG001411,CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO,c1c(c(Nc2ccc(Br)cc2Cl)c(F)c3c1n(cn3)C)C(NOCCO)=O,"InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)",CYOHGALHFOKKQC-UHFFFAOYSA-N
BMGC_DG00152,BMG_DG001497,,NC(=O)CCc1cc[nH]c1,,TWGRVIPCCGRSNM-UHFFFAOYSA-N
BMGC_DG00153,BMG_DG001498,,CN1CCc2c3c(c4OCOc4c2)-c5cc(OC)c(OC)cc5C[C@@]31[H],,YJWBWQWUHVXPNC-AWEZNQCLSA-N
BMGC_DG00154,BMG_DG001511,,CC(=O)SC[C@H](N)C(=O)O,,XCIRMLHOFVDUDP-BYPYZUCNSA-N
BMGC_DG00155,BMG_DG001522,C1=CC=C(C=C1)C[C@H](COC(=O)N)N,C(=O)(OC[C@@H](Cc1ccccc1)N)N,"InChI=1S/C10H14N2O2/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H2,12,13)/t9-/m1/s1",UCTRAOBQFUDCSR-SECBINFHSA-N
BMGC_DG00156,BMG_DG001528,,C1(N2CCC(CC1)CC2)c3cccnc3,,WIEWCOLOPGXZDJ-UHFFFAOYSA-N
BMGC_DG00157,BMG_DG001538,CC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C#N)N,N1([C@@H](CCC1)C#N)C([C@H](C(C)(C)C)N)=O,"InChI=1S/C11H19N3O/c1-11(2,3)9(13)10(15)14-6-4-5-8(14)7-12/h8-9H,4-6,13H2,1-3H3/t8-,9+/m0/s1",XGNBIYXILDDDQR-DTWKUNHWSA-N
BMGC_DG00158,BMG_DG001541,C1CN(C(=N1)N)CC2=CN=C(C=C2)Cl,C(N1C(N)=NCC1)c2ccc(Cl)nc2,"InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)",UEQZFAGVRGWPDK-UHFFFAOYSA-N
BMGC_DG00159,BMG_DG001547,C1C[C@H]2[C@@H](C1)N3CCNCC4=C3C2=CC=C4,c12c3[C@@]4([C@](N1CCNCc2ccc3)(CCC4)[H])[H],"InChI=1S/C14H18N2/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16/h1,3,5,11,13,15H,2,4,6-9H2/t11-,13-/m1/s1",XOSKJKGKWRIMGV-DGCLKSJQSA-N
BMGC_DG00160,BMG_DG001568,,C(CCC(O)=O)(CP(=O)(O)O)C(O)=O,,ISEYJGQFXSTPMQ-UHFFFAOYSA-N
BMGC_DG00161,BMG_DG001575,CC1(CC(CC(N1O)(C)C)OC(=O)C2CC2)C,C1(CC1)C(=O)OC2CC(N(C(C2)(C)C)O)(C)C,"InChI=1S/C13H23NO3/c1-12(2)7-10(8-13(3,4)14(12)16)17-11(15)9-5-6-9/h9-10,16H,5-8H2,1-4H3",ZWEXEKJLDHNLLA-UHFFFAOYSA-N
BMGC_DG00162,BMG_DG001576,,[nH]1cc(c2cc(ccc12)CC)C[C@@H]3N(CCC3)C,,XQBUOODGXPTQOQ-CQSZACIVSA-N
BMGC_DG00163,BMG_DG001578,C1[C@H]2CN(C[C@H]2N1)C3=CC(=C(N=C3)Cl)Cl,C1[C@@]2([C@](CN1c3cc(c(nc3)Cl)Cl)(CN2)[H])[H],"InChI=1S/C10H11Cl2N3/c11-8-1-7(3-14-10(8)12)15-4-6-2-13-9(6)5-15/h1,3,6,9,13H,2,4-5H2/t6-,9+/m0/s1",MBQYQLWSBRANKQ-IMTBSYHQSA-N
BMGC_DG00164,BMG_DG001580,,Cc1c(c2c([nH]1)ccc(Cl)c2)C=3CCNCC3,,BPPGPYJBCVXILI-UHFFFAOYSA-N
BMGC_DG00165,BMG_DG001619,,[N+](c1c(Nc2c(C(=O)O)cccc2)cccc1)([O-])=O,,FJNZXTAFUISVCI-UHFFFAOYSA-N
BMGC_DG00166,BMG_DG001620,C(=O)(C(=O)O)C(=O)O,C(C(O)=O)(C(O)=O)=O,"InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)",XEEVLJKYYUVTRC-UHFFFAOYSA-N
BMGC_DG00167,BMG_DG001626,,c1(nc(N2C[C@H](C)N(c3ccnc(n3)[C@H](O)C)[C@H](C)C2)nc(n1)C)C,,FTEQMUXMWCGJAF-GRYCIOLGSA-N
BMGC_DG00168,BMG_DG001658,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,[C@]12([C@]([C@@]3([C@@H](C[C@]4([C@@]([C@]3(CC1)[H])(CC[C@@H](O)C4)C)[H])O)[H])(CC[C@@]2([C@@H](CCC(=O)O)C)[H])[H])C,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1",RUDATBOHQWOJDD-BSWAIDMHSA-N
BMGC_DG00169,BMG_DG001676,,,,
BMGC_DG00170,BMG_DG001681,,,,
BMGC_DG00171,BMG_DG001693,C[C@H](CC[C@H](C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,[C@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC1)[H])(CC[C@@H](C4)O)C)[H])(CC[C@@]2([C@@H](CC[C@H](C(C)C)O)C)[H])[H])C,"InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25-,26+,27-/m1/s1",IOWMKBFJCNLRTC-RNCHBCSGSA-N
BMGC_DG00172,BMG_DG001695,,,,
BMGC_DG00173,BMG_DG001707,CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=C(C=C3)C4=CC=CC=C4,,"InChI=1S/C25H30N6O/c1-4-21(15-32)28-25-29-23(22-24(30-25)31(16-27-22)17(2)3)26-14-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,16-17,21,32H,4,14-15H2,1-3H3,(H2,26,28,29,30)/t21-/m1/s1",BRJSFOFBYVFKCP-OAQYLSRUSA-N
BMGC_DG00174,BMG_DG001711,,C12=C3C(COc4c3ccc(O)c4O)(O)CC1=CC(C(=C2)O)=O,,HLUCICHZHWJHLL-UHFFFAOYSA-N
BMGC_DG00175,BMG_DG001712,,CN(C)[C@@]1(CC[C@@](CC1)(CCc2ccccc2)O)c3ccc(cc3)Br.Cl,,UOEMILZBKFSGOB-CXLYRKOBSA-N
BMGC_DG00176,BMG_DG001715,CC1=C(NC(=C1C(=O)NC[C@@H](CN2CCOCC2)O)C)/C=C\3/C4=C(C=CC(=C4)F)NC3=O,c1(c(c(/C=C/2\C(Nc3ccc(F)cc23)=O)[nH]c1C)C)C(NC[C@@H](CN4CCOCC4)O)=O,"InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1",CTNPALGJUAXMMC-PMFHANACSA-N
BMGC_DG00177,BMG_DG001723,,,,
BMGC_DG00178,BMG_DG001736,C1=CC=C(C(=C1)C(=O)O)NC=O,c1(C(=O)O)c(NC=O)cccc1,"InChI=1S/C8H7NO3/c10-5-9-7-4-2-1-3-6(7)8(11)12/h1-5H,(H,9,10)(H,11,12)",LLLPDUXGHXIXIW-UHFFFAOYSA-N
BMGC_DG00179,BMG_DG001738,C[N+](C)(C)CCOP(=O)(O)O,,"InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1",YHHSONZFOIEMCP-UHFFFAOYSA-O
BMGC_DG00180,BMG_DG001739,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,[C@]12([C@]([C@]3([C@]([C@@]4([C@](C[C@H](O)CC4)([H])C[C@H]3O)C)([H])C[C@@H]1O)[H])(CC[C@@]2([C@@H](CCC(NCC(=O)O)=O)C)[H])[H])C,"InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1",RFDAIACWWDREDC-FRVQLJSFSA-N
BMGC_DG00181,BMG_DG001745,,[N+](c1cc(Nc2c(C(=O)O)cccc2)ccc1)([O-])=O,,NBJRFLIUYUFOIR-UHFFFAOYSA-N
BMGC_DG00182,BMG_DG001764,C1=CC(=C2C(=O)C=CC(=O)C2=C1O)O,c12c(c(ccc1O)O)C(C=CC2=O)=O,"InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H",RQNVIKXOOKXAJQ-UHFFFAOYSA-N
BMGC_DG00183,BMG_DG001813,,C(=O)(c1cn(c2ccccc12)CC3N(CCCC3)C)c4c(ccc(c4)[N+](=O)[O-])I,,ZUHIXXCLLBMBDW-UHFFFAOYSA-N
BMGC_DG00184,BMG_DG001819,,n1(c2c([nH]cn2)c(n(c1=O)CC)=O)CC,,GIMNFISWKTZFKJ-UHFFFAOYSA-N
BMGC_DG00185,BMG_DG001824,,c12c(c(=O)n(c(n1C)=O)C)n(CC#C)cn2,,DKHAOCKWCMAXNV-UHFFFAOYSA-N
BMGC_DG00186,BMG_DG001841,CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC,N1(CCc2cc(OC)c(c-3c2[C@@]1(Cc4c3c(O)c(cc4)OC)[H])OC)C,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",QELDJEKNFOQJOY-ZDUSSCGKSA-N
BMGC_DG00187,BMG_DG001855,,c-12c3c(C(=O)c4c1cccc4)nccc3cc5c2OCO5,,MUMCCPUVOAUBAN-UHFFFAOYSA-N
BMGC_DG00188,BMG_DG001862,,c12c(c(=O)n(c(n1C)=O)C)n(CC=C)cn2,,ZGIBYCLLIMGXEZ-UHFFFAOYSA-N
BMGC_DG00189,BMG_DG001866,,[Se](Cc1ccccc1)C#N,,WSKWDMOVMQKKQI-UHFFFAOYSA-N
BMGC_DG00190,BMG_DG001869,,N(Cc1cc(C(F)(F)F)cc(c1)C(F)(F)F)(C(C)=O)[C@@H]2c3c(N([C@@H](C2)CC)C(OC(C)C)=O)ccc(c3)C(F)(F)F,,TUPKOWFPVAXQFP-OFNKIYASSA-N
BMGC_DG00191,BMG_DG001877,,O(c1c(OC)cc2c3[C@]([H])(N(CC2)C)Cc4ccccc4-c31)C,,ORJVQPIHKOARKV-OAHLLOKOSA-N
BMGC_DG00192,BMG_DG001883,,N1(C(=O)N)c2c(cccc2)Sc3c1cccc3,,ZIXAQGHVCPYMBA-UHFFFAOYSA-N
BMGC_DG00193,BMG_DG001886,,P(O)(O)(=O)C(C(=O)c1cc2ccccc2cc1C(=O)N(C3CCN(CC3)C(=O)c4cc5ccccc5cc4)C)c6cccc7ccccc67,,XUJQPDQURBZEGJ-UHFFFAOYSA-N
BMGC_DG00194,BMG_DG001920,,Fc1c(F)cc(C(Nc2cnc(Cl)nc2)=O)cc1,,IIBSHMFXVWTQSJ-UHFFFAOYSA-N
BMGC_DG00195,BMG_DG001933,C(COP(=O)(O)O)N,O(P(O)(O)=O)CCN,"InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)",SUHOOTKUPISOBE-UHFFFAOYSA-N
BMGC_DG00196,BMG_DG001935,C#CC1=CC(=C(C=C1)NC2=C(C=CC(=C2F)F)C(=O)NOCCO)F,,"InChI=1S/C17H13F3N2O3/c1-2-10-3-6-14(13(19)9-10)21-16-11(4-5-12(18)15(16)20)17(24)22-25-8-7-23/h1,3-6,9,21,23H,7-8H2,(H,22,24)",AMNKRBRQQAMACZ-UHFFFAOYSA-N
BMGC_DG00197,BMG_DG001936,,,,
BMGC_DG00198,BMG_DG001938,,C1(OCc2cc(ccc12)Br)(CCCN(C)C)c3ccc(cc3)F,,WOLPGGGWZDXCNM-UHFFFAOYSA-N
BMGC_DG00199,BMG_DG001939,,s1ccn2c(c(nc21)Cl)S(n3c4c(c(c3)CCN)cccc4)(=O)=O,,RYBOXBBYCVOYNO-UHFFFAOYSA-N
BMGC_DG00200,BMG_DG001948,C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)OC3=CC(=NC=C3)C(=O)N,c1(cc(ccc1Cl)NC(Nc2ccc(Oc3ccnc(c3)C(N)=O)cc2)=O)C(F)(F)F,"InChI=1S/C20H14ClF3N4O3/c21-16-6-3-12(9-15(16)20(22,23)24)28-19(30)27-11-1-4-13(5-2-11)31-14-7-8-26-17(10-14)18(25)29/h1-10H,(H2,25,29)(H2,27,28,30)",UAEWBZYTKIMYRQ-UHFFFAOYSA-N
BMGC_DG00201,BMG_DG001958,CCN(CC)CCN1C(=O)C2=C3C4=C(C(=CC=C4)Cl)NC3=C5C(=C2C1=O)C6=C(N5[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)OC)O)O)C(=CC=C6)Cl,n1([C@H]2[C@@H]([C@H]([C@H](OC)[C@H](O2)CO)O)O)c3c4c(c5cccc(c5[nH]4)Cl)c6C(=O)N(C(c6c3c7c1c(Cl)ccc7)=O)CCN(CC)CC,"InChI=1S/C33H34Cl2N4O7/c1-4-37(5-2)12-13-38-31(43)22-20-15-8-6-10-17(34)24(15)36-25(20)27-21(23(22)32(38)44)16-9-7-11-18(35)26(16)39(27)33-29(42)28(41)30(45-3)19(14-40)46-33/h6-11,19,28-30,33,36,40-42H,4-5,12-14H2,1-3H3/t19-,28-,29-,30-,33-/m1/s1",JSKFWUPVIZYJMR-UDOAKELVSA-N
BMGC_DG00202,BMG_DG001960,COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.Cl,n1(c2c(cc(c(N3C[C@@]4(CCCN[C@@]4(C3)[H])[H])c2OC)F)c(c(c1)C(=O)O)=O)C5CC5.Cl,"InChI=1S/C21H24FN3O4.ClH/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H/t11-,16+;/m0./s1",IDIIJJHBXUESQI-DFIJPDEKSA-N
BMGC_DG00203,BMG_DG001961,CC(C)(C[C@@H](C(=O)NC1(CC1)C#N)N[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F,C1CC1(C#N)NC(=O)[C@@H](N[C@@H](c2ccc(-c3ccc(cc3)S(C)(=O)=O)cc2)C(F)(F)F)CC(C)(C)F,"InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1",FWIVDMJALNEADT-SFTDATJTSA-N
BMGC_DG00204,BMG_DG001965,,Oc1c(OC)cc2c3[C@@]([H])(N(CC2)C)Cc4ccc(OC)c(OC)c4-c31,,IDQUPXZJURZAGF-ZDUSSCGKSA-N
BMGC_DG00205,BMG_DG001979,CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)N1)OCC(=O)N[C@H](C3=CC=C(C=C3)O)C(=O)N[C@@H](CC)C(=O)O)SC)C4=CC=CC=C4)CCCC,O=S1(NC(CCCC)(CCCC)CN(c2ccccc2)c3cc(SC)c(OCC(=O)N[C@H](c4ccc(O)cc4)C(=O)N[C@@H](CC)C(=O)O)cc31)=O,"InChI=1S/C37H48N4O8S2/c1-5-8-19-37(20-9-6-2)24-41(26-13-11-10-12-14-26)29-21-31(50-4)30(22-32(29)51(47,48)40-37)49-23-33(43)39-34(25-15-17-27(42)18-16-25)35(44)38-28(7-3)36(45)46/h10-18,21-22,28,34,40,42H,5-9,19-20,23-24H2,1-4H3,(H,38,44)(H,39,43)(H,45,46)/t28-,34+/m0/s1",XULSCZPZVQIMFM-IPZQJPLYSA-N
BMGC_DG00206,BMG_DG001982,CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O,Oc1cc2c(cc1OC)-c3c(OC)c(O)cc4c3[C@@]([H])(N(CC4)C)C2,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",LZJRNLRASBVRRX-ZDUSSCGKSA-N
BMGC_DG00207,BMG_DG002004,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O,O[C@H]1[C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)n2c(=O)[nH]c(cc2)=O,"InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",FOGRQMPFHUHIGU-XVFCMESISA-N
BMGC_DG00208,BMG_DG002010,,c1ccc(cc1)S(=O)(=O)n2ccc3c(cccc32)N4CCNCC4,,OPAMDWUUNKYGOR-UHFFFAOYSA-N
BMGC_DG00209,BMG_DG002011,,P(O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n2ccc(N)nc2=O)(=O)(O)O,,YQUAKORMLHPSLZ-XVFCMESISA-N
BMGC_DG00210,BMG_DG002032,CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)OC)OC,,"InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)",PRGILOMAMBLWNG-UHFFFAOYSA-N
BMGC_DG00211,BMG_DG002039,C[C@@H]1[C@@H](C2=C(C(=CC3=C2C[C@H]4[C@]5(C=CC(=O)C([C@@H]5C[C@@H]([C@@]4(O3)C)O)(C)C)C)O)C(=O)O1)O,,"InChI=1S/C25H30O7/c1-11-21(29)19-12-8-16-24(4)7-6-17(27)23(2,3)15(24)10-18(28)25(16,5)32-14(12)9-13(26)20(19)22(30)31-11/h6-7,9,11,15-16,18,21,26,28-29H,8,10H2,1-5H3/t11-,15+,16+,18+,21+,24+,25-/m1/s1",KCLJXKIILUZVBN-WREWNJFMSA-N
BMGC_DG00212,BMG_DG002041,,c1(ccc(cc1)-n2nc(cc2-c3ccccc3C)C(F)(F)F)S(=O)(=O)N,,QGNNQDAQBISHQG-UHFFFAOYSA-N
BMGC_DG00213,BMG_DG002045,,,,
BMGC_DG00214,BMG_DG002047,,,,
BMGC_DG00215,BMG_DG002049,,C(F)(F)(F)c1n2c(CN(C(C[C@@H](Cc3cc(F)c(F)cc3)N)=O)CC2)nn1,,VZQYRRVZSLWCAA-SNVBAGLBSA-N
BMGC_DG00216,BMG_DG002152,C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)[C@@H](O1)C5=CC6=C(C=C5)OCO6,O1C[C@]2([C@@](CO[C@H]2c3cc4c(OCO4)cc3)([H])[C@H]1c5cc6c(OCO6)cc5)[H];O1[C@@H]([C@@]2([H])CO[C@@H](c3ccc4OCOc4c3)[C@]2(C1)[H])c5ccc6OCOc6c5,"InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19-,20+/m0/s1",PEYUIKBAABKQKQ-WZBLMQSHSA-N
BMGC_DG00217,BMG_DG002155,C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)CCCNCCCO)Cl,C(c1c(ccc(c1)CCCNCCCO)Cl)(=O)NCC23CC4CC(CC(C2)C4)C3,"InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)",HSQAARMBHJCUOK-UHFFFAOYSA-N
BMGC_DG00218,BMG_DG002162,CN1[C@@H](CCC[C@@H]1CC(=O)C2=CC=CC=C2)C[C@@H](C3=CC=CC=C3)O,N1([C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@@H](c3ccccc3)O)C,"InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1",MXYUKLILVYORSK-HBMCJLEFSA-N
BMGC_DG00219,BMG_DG002197,,N(c1c2c(cc(O[C@@H]3CCOC3)c(NC(/C=C/CN(C)C)=O)c2)ncn1)c4cc(Cl)c(F)cc4,,ULXXDDBFHOBEHA-QDLOVBKTSA-N
BMGC_DG00220,BMG_DG002225,,[C@@]12(C[C@H]([C@H]([C@](C)(O1)n3c4ccccc4c5c6CNC(c6c7c8ccccc8n2c7c53)=O)OC)N(C(=O)C)C)[H],,GRENHRYHWHSBLM-OCGXLOOESA-N
BMGC_DG00221,BMG_DG002315,C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O,c12c(C(c3cccc(c3C1=O)O)=O)cc(C(O)=O)cc2O,"InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)",FCDLCPWAQCPTKC-UHFFFAOYSA-N
BMGC_DG00222,BMG_DG002326,,c1(n(c2c(n1C)ccc(c2)Cl)C3CCN(CC3)CCCn4nc(c5CN(CCc54)S(=O)(=O)C)-c6ccc(cc6)C(F)(F)F)=O,,NVAHQQYCEWEDKM-UHFFFAOYSA-N
BMGC_DG00223,BMG_DG002363,C1=CC=C(C(=C1)C(=O)O)C(=O)O,c1ccc(c(c1)C(=O)O)C(=O)O,"InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)",XNGIFLGASWRNHJ-UHFFFAOYSA-N
BMGC_DG00224,BMG_DG002381,,C12=C[C@@H](C(N(CC)CC)=O)CN([C@@]1(Cc3c(Br)[nH]c4c3c2ccc4)[H])C,,VKRAXSZEDRWLAG-SJKOYZFVSA-N
BMGC_DG00225,BMG_DG002398,,Oc1cc(/C=C/c2ccc(O)cc2)ccc1,,UFGKEFGYNRJIGO-SNAWJCMRSA-N
BMGC_DG00226,BMG_DG002403,CNC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O,c1(O)cc2sc(nc2cc1)-c3ccc(cc3)NC,"InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3",ZQAQXZBSGZUUNL-UHFFFAOYSA-N
BMGC_DG00227,BMG_DG002413,,c1c(c(cc(c1)CCNC(=O)/C=C/c2cc(c(cc2)O)O)O)O,,FSMGGLPUXCKRGT-ZZXKWVIFSA-N
BMGC_DG00228,BMG_DG002428,CCNC1=CC\2=C(C(=C1)O)C(=O)O[C@H]([C@@H](/C=C\C(=O)[C@H]([C@H](C/C=C2)O)O)C)C,O1[C@H]([C@@H](/C=C\C([C@H]([C@H](C/C=C/c2c(C1=O)c(cc(c2)NCC)O)O)O)=O)C)C,"InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1",MWUFVYLAWAXDHQ-HMNLTAHHSA-N
BMGC_DG00229,BMG_DG002429,,C(c1ccc(cc1)-c2scc(n2)-c3nc4C(CCC(c4nc3)(C)C)(C)C)(=O)O,,RLBKELXRLMNRJB-UHFFFAOYSA-N
BMGC_DG00230,BMG_DG002432,,C([C@@H](COc1cc(cnc1)-c2cc3c(cc2)[nH]nc3C)N)c4c5c([nH]c4)cccc5,,YWTBGJGMTBHQTM-IBGZPJMESA-N
BMGC_DG00231,BMG_DG002437,CC1=CC(=CC=C1)/C=N/NC2=CC(=NC(=N2)OCCC3=CC=CC=N3)N4CCOCC4,n1c(cc(N/N=C/c2cc(C)ccc2)nc1OCCc3ncccc3)N4CCOCC4,"InChI=1S/C23H26N6O2/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28)/b25-17+",HSKAZIJJKRAJAV-KOEQRZSOSA-N
BMGC_DG00232,BMG_DG002438,,C(=O)(NCCN1CCC(CC1)(Cc2ccccc2)O)Nc3c4c(nc(c3)C)cccc4,,WYJCYXOCHXWTHG-UHFFFAOYSA-N
BMGC_DG00233,BMG_DG002443,CCCCCCC(C)(C)C1=CC(=C(C(=C1)OC(=O)/C=C/C(=O)O)[C@H]2CC(=O)[C@H]3C[C@@H]2C3(C)C)O,C(/C=C/C(=O)O)(=O)Oc1c(c(cc(c1)C(CCCCCC)(C)C)O)[C@@H]2[C@H]3C([C@@H](C(C2)=O)C3)(C)C,"InChI=1S/C28H38O6/c1-6-7-8-9-12-27(2,3)17-13-22(30)26(23(14-17)34-25(33)11-10-24(31)32)18-15-21(29)20-16-19(18)28(20,4)5/h10-11,13-14,18-20,30H,6-9,12,15-16H2,1-5H3,(H,31,32)/b11-10+/t18-,19-,20+/m0/s1",GSTZHANFXAKPSE-MXTREEOPSA-N
BMGC_DG00234,BMG_DG002444,,,,
BMGC_DG00235,BMG_DG002475,[OH-].[OH-].[OH-].[Al+3],[Al+3].[OH-].[OH-].[OH-],InChI=1S/Al.3H2O/h;3*1H2/q+3;;;/p-3,WNROFYMDJYEPJX-UHFFFAOYSA-K
BMGC_DG00236,BMG_DG002479,C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)CO)C)C)(C)C)O,[C@]12([C@]3([C@@]([C@@]4([C@](C([C@H](CC4)O)(C)C)(CC3)[H])C)(CC=C2[C@]5([C@@](CC1)(CCC(C5)(C)C)CO)[H])[H])C)C,"InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1",PSZDOEIIIJFCFE-OSQDELBUSA-N
BMGC_DG00237,BMG_DG002507,,C1(N2CCC(C1)CC2)c3cccnc3,,YJYPZLAZNIGNRP-UHFFFAOYSA-N
BMGC_DG00238,BMG_DG002513,C1CC2(CCN(C2)C3=CN=CC=C3)NC1,N1CCCC12CCN(C2)c3cnccc3,"InChI=1S/C12H17N3/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12/h1,3,6,9,14H,2,4-5,7-8,10H2",NXIPMBQVNTWEEX-UHFFFAOYSA-N
BMGC_DG00239,BMG_DG002519,,C/1(\c2c(c(F)cc(c2)F)CC1)=C/C(=O)N,,AQTRJSKRZHDGEX-ZZXKWVIFSA-N
BMGC_DG00240,BMG_DG002525,C1CN2CC[C@@]3(C2)[C@H]1OC4=C(C3)N=CC=C4,[N@]12C[C@@]3(CC1)Cc4c(O[C@]3(CC2)[H])cccn4,"InChI=1S/C13H16N2O/c1-2-11-10(14-5-1)8-13-4-7-15(9-13)6-3-12(13)16-11/h1-2,5,12H,3-4,6-9H2/t12-,13+/m0/s1",SUPRUPHAEXPGPF-QWHCGFSZSA-N
BMGC_DG00241,BMG_DG002530,C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O,C/1(=C/2\C(=O)c3ccccc3N2)\c4c(cccc4)NC1=O;C/1(=C/2\Nc3ccccc3C2=O)\c4c(cccc4)NC1=O,"InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,18,20H",JNLNPCNGMHKCKO-UHFFFAOYSA-N;CRDNMYFJWFXOCH-YPKPFQOOSA-N;CRDNMYFJWFXOCH-BUHFOSPRSA-N
BMGC_DG00242,BMG_DG002531,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C,C=12[C@@]3([C@@](CCC1[C@@]4(CC[C@@]([C@@]4(C)CC2)([C@@H](CCCC(C)C)C)[H])[H])(C[C@H](CC3)O)[H])C,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23-24,28H,6-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1",QETLKNDKQOXZRP-XTGBIJOFSA-N
BMGC_DG00243,BMG_DG002533,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O,,"InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1",CYKYBWRSLLXBOW-GDYGHMJCSA-N
BMGC_DG00244,BMG_DG002536,,c1ccc(c(O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)c1)Cc3ccc(cc3)OC,,HFLCZNNDZKKXCS-OUUBHVDSSA-N
BMGC_DG00245,BMG_DG002549,C1CCN(C[C@@H](C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F,n1(c2c(c(=O)c(c1)C(=O)O)cc(c(c2Cl)N3C[C@H](N)CCCC3)F)C4CC4,"InChI=1S/C19H21ClFN3O3/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23/h7,9-11H,1-6,8,22H2,(H,26,27)/t10-/m1/s1",QFFGVLORLPOAEC-SNVBAGLBSA-N
BMGC_DG00246,BMG_DG002550,CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C,,"InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1",BFZHCUBIASXHPK-ATWVFEABSA-N
BMGC_DG00247,BMG_DG002560,,,,
BMGC_DG00248,BMG_DG002563,C1=CC=NC(=C1)C(=O)O,C(c1ncccc1)(=O)O,"InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)",SIOXPEMLGUPBBT-UHFFFAOYSA-N
BMGC_DG00249,BMG_DG002564,CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O,c12c(c3ccccc3sc1c(C)ccc2NCCN(CC)CC)=O,"InChI=1S/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3",FBQPGGIHOFZRGH-UHFFFAOYSA-N
BMGC_DG00250,BMG_DG002566,,,,
BMGC_DG00251,BMG_DG002571,,N(c1nc(ccn1)-c2cccnc2)c3cc(NC(=O)c4ccc(CCl)cc4)ccc3C,,WUGWDFMSJPJUEZ-UHFFFAOYSA-N
BMGC_DG00252,BMG_DG002602,COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N,c12n(nc(c1CCN(C2=O)c3ccc(N4C(=O)CCCC4)cc3)C(=O)N)-c5ccc(OC)cc5,"InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)",QNZCBYKSOIHPEH-UHFFFAOYSA-N
BMGC_DG00253,BMG_DG002611,,I(=O)(=O)c1ccccc1,,BDOLQESNFGCNSC-UHFFFAOYSA-N
BMGC_DG00254,BMG_DG002616,CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4,N(c1ccc(c(c1)Cl)F)c2ncnc3c2cc(c(c3)O[C@@H]4COCC4)NC(=O)/C=C/CN(C)C,"InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1",ULXXDDBFHOBEHA-CWDCEQMOSA-N
BMGC_DG00255,BMG_DG002617,C1=CC(=C(C(=C1)Cl)COCCOCCCCCCNC[C@@H](C2=CC(=C(C=C2)O)CO)O)Cl,[C@@H](c1ccc(c(c1)CO)O)(CNCCCCCCOCCOCc2c(cccc2Cl)Cl)O,"InChI=1S/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/m0/s1",DAFYYTQWSAWIGS-DEOSSOPVSA-N
BMGC_DG00256,BMG_DG002636,C1=CC2=CC3=C(C(=CC=C3)O)C(=C2C(=C1)O)O,,"InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-17H",YUTJCNNFTOIOGT-UHFFFAOYSA-N
BMGC_DG00257,BMG_DG002643,CC1=CC(=O)N(N1C)C2=CC=CC=C2.C(C(Cl)(Cl)Cl)(O)O.C(C(Cl)(Cl)Cl)(O)O,c1(n(n(c(c1)C)C)-c2ccccc2)=O.C(C(O)O)(Cl)(Cl)Cl.C(C(O)O)(Cl)(Cl)Cl,"InChI=1S/C11H12N2O.2C2H3Cl3O2/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;2*3-2(4,5)1(6)7/h3-8H,1-2H3;2*1,6-7H",ATKXDQOHNICLQW-UHFFFAOYSA-N
BMGC_DG00258,BMG_DG002644,,Fc1c(ccc(COCCCCCN2[C@@H](CO)[C@@H](O)[C@H](O)[C@@H](O)C2)c1)-c3ccccc3,,IRIRASPSMMWZOM-CJRSTVEYSA-N
BMGC_DG00259,BMG_DG002653,,C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCO)C)(CC4)[H])[H])([C@@H](O)[C@@H](CC)[C@@]1(C[C@H](O)CC2)[H])[H])[H],,DQBAHTQWQZRMFH-CRPAWOMZSA-N
BMGC_DG00260,BMG_DG002655,CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCO)C)C)O,,"InChI=1S/C25H44O3/c1-5-17-21-14-16(27)8-11-25(21,4)20-9-12-24(3)18(15(2)10-13-26)6-7-19(24)22(20)23(17)28/h15-23,26-28H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-/m1/s1",HYCMOIGNYNCMRH-APIYUPOTSA-N
BMGC_DG00261,BMG_DG002658,CC1=CC(=O)C2=C(C=C(C=C2O1)OC)O,c12c(cc(OC)cc1O)oc(C)cc2=O,"InChI=1S/C11H10O4/c1-6-3-8(12)11-9(13)4-7(14-2)5-10(11)15-6/h3-5,13H,1-2H3",SUTUBQHKZRNZRA-UHFFFAOYSA-N
BMGC_DG00262,BMG_DG002707,C1C(CC2=CC=CC=C21)NCC(=O)N,c1ccc2CC(Cc2c1)NCC(=O)N,"InChI=1S/C11H14N2O/c12-11(14)7-13-10-5-8-3-1-2-4-9(8)6-10/h1-4,10,13H,5-7H2,(H2,12,14)",MNLULKBKWKTZPE-UHFFFAOYSA-N
BMGC_DG00263,BMG_DG002711,,C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)C(CC4)=O)[H])(CC[C@]1(CC=CC2)[H])[H])[H],,ISJVDMWNISUFRJ-HKQXQEGQSA-N
BMGC_DG00264,BMG_DG002766,C1COCCN1CC2=CC=C(C=C2)COC3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4,c1cccc2c1sc(n2)C(c3ccnc(n3)OCc4ccc(cc4)CN5CCOCC5)C#N,"InChI=1S/C25H23N5O2S/c26-15-20(24-28-22-3-1-2-4-23(22)33-24)21-9-10-27-25(29-21)32-17-19-7-5-18(6-8-19)16-30-11-13-31-14-12-30/h1-10,20H,11-14,16-17H2",XCPPIJCBCWUBNT-UHFFFAOYSA-N
BMGC_DG00265,BMG_DG002767,CC(=O)NC1=C(C=C(C=C1)O)OC[C@](C)(CNC2CCN(CC2)CC3=CC=C(C=C3)Cl)O,O(C[C@@](CNC1CCN(CC1)Cc2ccc(cc2)Cl)(C)O)c3c(NC(C)=O)ccc(c3)O,"InChI=1S/C24H32ClN3O4/c1-17(29)27-22-8-7-21(30)13-23(22)32-16-24(2,31)15-26-20-9-11-28(12-10-20)14-18-3-5-19(25)6-4-18/h3-8,13,20,26,30-31H,9-12,14-16H2,1-2H3,(H,27,29)/t24-/m0/s1",RKWKLTLIBREDHD-DEOSSOPVSA-N
BMGC_DG00266,BMG_DG002777,,n1c([nH]c2n(c(n(c(c12)=O)CCC)=O)CCC)-c3ccc(cc3)OCc4noc(n4)-c5cc(ccc5)OC,,AHJHSANRNGKAFS-UHFFFAOYSA-N
BMGC_DG00267,BMG_DG002783,,[C@@]12(C(CC[C@]3([C@@]4(C[C@]5(O[C@]5([C@]4(CC[C@@]31[H])C)C(=O)C)[H])[H])[H])=CC(=O)CC2)C,,LHNVKVKZPHUYQO-SRWWVFQWSA-N
BMGC_DG00268,BMG_DG002786,,O=C1C(c2cc(O)c(O)cc2)=C(O)\C(\O1)=C(/C(O)=O)\c3cc(O)c(O)cc3,,MRRYHTCWZKZVIH-JQIJEIRASA-N
BMGC_DG00269,BMG_DG002815,[Li+].[Li+].C(CC(=O)[O-])C(=O)[O-],C(=O)(CCC([O-])=O)[O-].[Li+].[Li+],"InChI=1S/C4H6O4.2Li/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2",WAHQBNXSPALNEA-UHFFFAOYSA-L
BMGC_DG00270,BMG_DG002834,,C(O)(=O)[C@@]1(N)[C@@]2([C@@H](C(O)=O)[C@@]2(OC1)[H])[H],,YASVRZWVUGJELU-MDASVERJSA-N
BMGC_DG00271,BMG_DG002839,,CC(C)Oc1cccc2ccc(N)nc12,,IJQWZUBUZMKYCW-UHFFFAOYSA-N
BMGC_DG00272,BMG_DG002842,,OC(=O)CCC(CCCS)C(O)=O,,FNLNSQHJKVQCBP-UHFFFAOYSA-N
BMGC_DG00273,BMG_DG002843,,,,
BMGC_DG00274,BMG_DG002846,,n1ccnc2cc(ccc12)N=C3NCCN3,,PVKUNRLEOHFACD-UHFFFAOYSA-N
BMGC_DG00275,BMG_DG002853,,C1(=O)SC(Cc2ccc(cc2)O)C(=O)N1,,NKOHRVBBQISBSB-UHFFFAOYSA-N
BMGC_DG00276,BMG_DG002857,,c12c3c4c(n1CCOc2ccc3)CCNCC4,,KMVAXNRPZRSLSY-UHFFFAOYSA-N
BMGC_DG00277,BMG_DG002858,C1CCC(CC1)CC/C=C\CCC2=CN=CN2,c1ncc([nH]1)CC/C=C\CCC2CCCCC2,"InChI=1S/C15H24N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h1-2,12-14H,3-11H2,(H,16,17)/b2-1-",JFGALMNHKIPJOE-UPHRSURJSA-N
BMGC_DG00278,BMG_DG002869,C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CC[C@H](C4)O)C,C=1[C@@]2([C@@]([C@@]3(CC[C@]4(C[C@@H](CC[C@@]4([C@]3(CC2)[H])C)O)[H])[H])([H])CC1)C,"InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1",KRVXMNNRSSQZJP-PHFHYRSDSA-N
BMGC_DG00279,BMG_DG002872,,C(C(Nc1ccc(C#N)cc1)=O)(C(C2CC2)=O)C#N,,GSSLQBZZKKOMAF-UHFFFAOYSA-N
BMGC_DG00280,BMG_DG002906,,c1(ccc(cc1)-n2nc(cc2-c3cc(ccc3)C)C(F)(F)F)S(=O)(=O)N,,MPVPOTMPKLOUHZ-UHFFFAOYSA-N
BMGC_DG00281,BMG_DG002920,,c1(c(cccn1)C(=O)N)Nc2n3c(cc(n2)-c4cc(c(cc4)OC)OC)ncc3,,JWQOJVOKBAAAAR-UHFFFAOYSA-N
BMGC_DG00282,BMG_DG002921,CC(C)(C1=CN=C(C=C1)NC2=NC=NC3=C2CCN(C3)C4=CC(=C(C=C4)C#N)Cl)O,C1c2c(CCN1c3cc(c(cc3)C#N)Cl)c(ncn2)Nc4ncc(cc4)C(C)(O)C,"InChI=1S/C22H21ClN6O/c1-22(2,30)15-4-6-20(25-11-15)28-21-17-7-8-29(12-19(17)26-13-27-21)16-5-3-14(10-24)18(23)9-16/h3-6,9,11,13,30H,7-8,12H2,1-2H3,(H,25,26,27,28)",TYOPGJVWUJIKHX-UHFFFAOYSA-N
BMGC_DG00283,BMG_DG002940,CC(=O)N[C@@H]1C(C[C@@](OC1C(C(CO)O)O)(C(=O)O)O)O,,"InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5?,6?,7-,8?,9?,11-/m1/s1",SQVRNKJHWKZAKO-YOGKNSSGSA-N
BMGC_DG00284,BMG_DG002947,,,,
BMGC_DG00285,BMG_DG002950,,[C@@]12([C@@](C(C[C@@]3([C@@]1(CC[C@@]4([C@@]([C@@H](CCCC(C)C)C)(CC[C@]43[H])[H])C)[H])[H])=O)(C[C@H](CC2)O)[H])C,,JQMQKOQOLPGBBE-ZNCJEFCDSA-N
BMGC_DG00286,BMG_DG002951,C1CN(CCC1CC2=CC=C(C=C2)F)C(=O)C(=O)NC3=CC4=C(C=C3)NC(=O)O4,c1cc(CC2CCN(C(C(Nc3cc4c(cc3)[nH]c(o4)=O)=O)=O)CC2)ccc1F,"InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)",GKGRZLGAQZPEHO-UHFFFAOYSA-N
BMGC_DG00287,BMG_DG002965,CCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N,C1CCCCC1(NC(c2ccc(cc2)N3CCN(CCC)CC3)=O)C(NCC#N)=O,"InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)",LLCRBOWRJOUJAE-UHFFFAOYSA-N
BMGC_DG00288,BMG_DG002981,,s1c2n(cc1)c(c(n2)Cl)S(=O)(=O)Nc3cc4c(c[nH]c4cc3)CCN(C)C,,RZAXUKVIIWUIOM-UHFFFAOYSA-N
BMGC_DG00289,BMG_DG002982,,C(c1ccc(cc1)-c2cc(ccn2)-c3c(n[nH]c3)-c4ccccn4)(=O)NC5CCOCC5,,SAGZIBJAQGBRQA-UHFFFAOYSA-N
BMGC_DG00290,BMG_DG002985,C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)O)C)O,[C@@]12(C(=CC[C@]3([C@@]4(C[C@H](C([C@]4(CC[C@]13[H])C)=O)O)[H])[H])C[C@@H](O)CC2)C,"InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,18-,19-/m0/s1",QQIVKFZWLZJXJT-DNKQKWOHSA-N
BMGC_DG00291,BMG_DG002994,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C,C[C@]12CCC(=O)C=C1CC[C@@]3([H])[C@]4([H])CC[C@@H](O)[C@@]4(C)CC[C@@]32[H],"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1",MUMGGOZAMZWBJJ-KZYORJDKSA-N
BMGC_DG00292,BMG_DG003001,CC1=CC(=O)C2=C(C1=O)C=CC=C2O,c12c(C(C=C(C1=O)C)=O)c(ccc2)O,"InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3",VCMMXZQDRFWYSE-UHFFFAOYSA-N
BMGC_DG00293,BMG_DG003014,CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3,c12c3c(cc4OCOc41)CCN([C@@]3([H])Cc5ccc(Oc6c(ccc(c6)C[C@]7(N(CCc8c7cc(c(c8)OC)O2)C)[H])OC)cc5)C,"InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1",YVPXVXANRNDGTA-WDYNHAJCSA-N
BMGC_DG00294,BMG_DG003035,C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO,c12c(C(c3c(cccc3C1=O)O)=O)c(cc(c2)CO)O,"InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2",YDQWDHRMZQUTBA-UHFFFAOYSA-N
BMGC_DG00295,BMG_DG003042,CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O,c12c(C(c3c(cccc3C1=O)O)=O)c(cc(c2)C)O,"InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3",LQGUBLBATBMXHT-UHFFFAOYSA-N
BMGC_DG00296,BMG_DG003047,CC1=C(C2=CC=CC=C2C(=C1)O)O,c12c(c(C)cc(c1cccc2)O)O,"InChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3",ZJTLZYDQJHKRMQ-UHFFFAOYSA-N
BMGC_DG00297,BMG_DG003061,C1=C(C(=C(N1)CN)CC(=O)O)CCC(=O)O,c1(c(c[nH]c1CN)CCC(O)=O)CC(O)=O,"InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)",QSHWIQZFGQKFMA-UHFFFAOYSA-N
BMGC_DG00298,BMG_DG003071,,c12c(c3c(cco3)c(c1ccc(o2)=O)OC)OC[C@H](C(C)(C)O)O,,PKRPFNXROFUNDE-LLVKDONJSA-N
BMGC_DG00299,BMG_DG003090,CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C,c1(c2c(cc3c1occ3)ccc(o2)=O)OCC=C(C)C,"InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3",OLOOJGVNMBJLLR-UHFFFAOYSA-N
BMGC_DG00300,BMG_DG003115,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N,n1([C@H]2[C@@H]([C@H](OP(O)(O)=O)[C@H](O2)COP(OS(O)(=O)=O)(O)=O)O)c3c(c(ncn3)N)nc1,"InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1",GACDQMDRPRGCTN-KQYNXXCUSA-N
BMGC_DG00301,BMG_DG003141,C[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C)O)C,[C@]12(C(=CC(=O)CC1)C[C@@H](C)[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)(O)C)[H])[H])C,"InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16+,17+,18-,19+,20+,21+/m1/s1",IVFYLRMMHVYGJH-VLOLGRDOSA-N
BMGC_DG00302,BMG_DG003172,CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,n1cnc2n([C@@H]3O[C@H](CO)[C@H]([C@H]3O)O)cnc2c1NC,"InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1",VQAYFKKCNSOZKM-IOSLPCCCSA-N
BMGC_DG00303,BMG_DG003192,CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC,[H][C@@]12c3cc(c(cc3CCN2C[C@H](CC)[C@@H](C[C@@]4([H])NCCc5c4cc(c(OC)c5)OC)C1)OC)OC,"InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1",AUVVAXYIELKVAI-CKBKHPSWSA-N
BMGC_DG00304,BMG_DG003207,C[C@@H]1CC2=C(C(=CC3=C2C[C@H]4[C@]5(CCC(=O)C([C@@H]5C[C@@H]([C@@]4(O3)C)O)(C)C)C)O)C(=O)O1,,"InChI=1S/C25H32O6/c1-12-8-14-13-9-18-24(4)7-6-19(27)23(2,3)17(24)11-20(28)25(18,5)31-16(13)10-15(26)21(14)22(29)30-12/h10,12,17-18,20,26,28H,6-9,11H2,1-5H3/t12-,17+,18+,20+,24+,25-/m1/s1",FWXJBWSYMUZVRM-GIOGGLKRSA-N
BMGC_DG00305,BMG_DG003230,,,,
BMGC_DG00306,BMG_DG003237,C[C@@H]1CC[C@H]([C@@H](C1)OCCO)C(C)C,C[C@@H]1CC[C@H]([C@@H](C1)OCCO)C(C)C;O(CCO)[C@H]1[C@H](C(C)C)CC[C@H](C1)C,"InChI=1S/C12H24O2/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13/h9-13H,4-8H2,1-3H3/t10-,11+,12-/m1/s1",FVBGFZNFXUIHNC-GRYCIOLGSA-N
BMGC_DG00307,BMG_DG003246,,CC(C)n1c2c(c(=O)n(C)c1=O)[nH]cn2,,ZBQTVZYXBOKEMJ-UHFFFAOYSA-N
BMGC_DG00308,BMG_DG003248,,C([C@@H](N)CC(C(=O)O)=C1CCCC1)(=O)O,,PJQRHOIDKSEWFE-QMMMGPOBSA-N
BMGC_DG00309,BMG_DG003249,,Oc1c(OC)cc2c(C3Cc4ccc(OC)c(OC)c4CN3CC2)c1,,KDFKJOFJHSVROC-UHFFFAOYSA-N
BMGC_DG00310,BMG_DG003268,C[C@@H](C1=CC2=CC=CC=C2S1)N(C(=O)N)O,c1(sc2ccccc2c1)[C@H](C)N(C(=O)N)O,"InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)/t7-/m0/s1",MWLSOWXNZPKENC-ZETCQYMHSA-N
BMGC_DG00311,BMG_DG003276,CCC(=O)NC[C@@H]1C[C@H]1C2=C3CCOC3=CC=C2,[C@H]1(C[C@H]1CNC(=O)CC)c2c3c(OCC3)ccc2,"InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1",PTOIAAWZLUQTIO-GXFFZTMASA-N
BMGC_DG00312,BMG_DG003280,,Cc1cccc(Nc2ncnc3ccc(N)cc23)c1,,NFBCSWGEYDCCDW-UHFFFAOYSA-N
BMGC_DG00313,BMG_DG003291,CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)O,[H][C@@]12C(=CC(CC1)=O)CC[C@]3([H])[C@@]2(CC[C@@]4(C)[C@@]3([H])CC[C@@]4(C(C)=O)O)[H],"InChI=1S/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1",GTFUITFQDGVJSK-XGXHKTLJSA-N
BMGC_DG00314,BMG_DG003306,,O([C@@H]1[C@@H]([C@@H](CO)O[C@H]1n2cnc3c(ncnc32)N)O)C,,FPUGCISOLXNPPC-IOSLPCCCSA-N
BMGC_DG00315,BMG_DG003307,,,,
BMGC_DG00316,BMG_DG003332,,[C@]12([C@]([C@]3([C@](CC1)(c4c(cc(OC(=O)CC)cc4)CC3)[H])[H])(C[C@H]([C@@H]2OC(=O)CC)OC(=O)CC)[H])C,,ONMZMZJEZHMWQL-REUUDLSRSA-N
BMGC_DG00317,BMG_DG003346,,Cn1c2ccc(C#CCc3ccccc3)cc2c(=O)n(Cc4ccc(cc4)C(=O)O)c1=O,,FLTYDFYSVZBKOB-UHFFFAOYSA-N
BMGC_DG00318,BMG_DG003351,CC1=CC(=CC=C1)C2=CC3=C(C=C2)N(C=C3C(=O)C(=O)O)CC4=CC=C(C=C4)C(C)(C)C,n1(Cc2ccc(cc2)C(C)(C)C)cc(C(C(O)=O)=O)c3cc(ccc13)-c4cc(ccc4)C,"InChI=1S/C28H27NO3/c1-18-6-5-7-20(14-18)21-10-13-25-23(15-21)24(26(30)27(31)32)17-29(25)16-19-8-11-22(12-9-19)28(2,3)4/h5-15,17H,16H2,1-4H3,(H,31,32)",HSXLMAFNWCSZGP-UHFFFAOYSA-N
BMGC_DG00319,BMG_DG003356,,,,
BMGC_DG00320,BMG_DG003361,CC1=C(C=C(C=C1)OC)OC(CCN2CCC(CC2)N3C4=CC=CC=C4NC3=O)C(C)C,,"InChI=1S/C26H35N3O3/c1-18(2)24(32-25-17-21(31-4)10-9-19(25)3)13-16-28-14-11-20(12-15-28)29-23-8-6-5-7-22(23)27-26(29)30/h5-10,17-18,20,24H,11-16H2,1-4H3,(H,27,30)",HDTXDTWVQLQAMW-UHFFFAOYSA-N
BMGC_DG00321,BMG_DG003394,CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C,c12c(c(ccc1ccc(o2)=O)OC)CC=C(C)C,"InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3",MBRLOUHOWLUMFF-UHFFFAOYSA-N
BMGC_DG00322,BMG_DG003413,C1=CC=C2C(=C1)C=C(C=N2)OC3=C(C=C(C=C3Cl)NS(=O)(=O)C4=C(C=C(C=C4)Cl)Cl)Cl,c1(c(cc(cc1)Cl)Cl)S(=O)(=O)Nc2cc(c(c(c2)Cl)Oc3cnc4ccccc4c3)Cl,"InChI=1S/C21H12Cl4N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H",NMRWDFUZLLQSBN-UHFFFAOYSA-N
BMGC_DG00323,BMG_DG003418,OP(=O)(O)OP(=O)(O)O,P(OP(O)(O)=O)(O)(O)=O,"InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)",XPPKVPWEQAFLFU-UHFFFAOYSA-N
BMGC_DG00324,BMG_DG003419,C1=CC=C2C(=C1)C(=NN=C2NN)NN,n1nc(NN)c2c(c1NN)cccc2,"InChI=1S/C8H10N6/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7/h1-4H,9-10H2,(H,11,13)(H,12,14)",VQKLRVZQQYVIJW-UHFFFAOYSA-N
BMGC_DG00325,BMG_DG003427,COC1=C(C2=C(C=C1CC=C)OCO2)OC,c1(c2c(OCO2)cc(c1OC)CC=C)OC,"InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3",LIKYNOPXHGPMIH-UHFFFAOYSA-N
BMGC_DG00326,BMG_DG003429,,COc1c(OCCCN2CCOCC2)cc3ncnc(c3c1)N4CCN(C(Nc5ccc(OC(C)C)cc5)=O)CC4,,QRJUFNKCBDLAKR-UHFFFAOYSA-N
BMGC_DG00327,BMG_DG003439,,c1(c(-c2ccccc2)nc([nH]1)-c3ccccc3)-c4ccccc4,,RNIPJYFZGXJSDD-UHFFFAOYSA-N
BMGC_DG00328,BMG_DG003472,C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2,c12cccc(=O)n2C[C@]3(C[C@@]1(CNC3)[H])[H],"InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1",ANJTVLIZGCUXLD-DTWKUNHWSA-N
BMGC_DG00329,BMG_DG003473,C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=C(N4)C=CC(=C5)O,,"InChI=1S/C18H13N3O2/c22-10-5-6-15-13(9-10)11-7-8-21-17(16(11)19-15)20-14-4-2-1-3-12(14)18(21)23/h1-6,9,19,22H,7-8H2",OLMHRSLUDJARDO-UHFFFAOYSA-N
BMGC_DG00330,BMG_DG003478,C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O,C1(C(c2ccccc2C1=O)=O)(O)O,"InChI=1S/C9H6O4/c10-7-5-3-1-2-4-6(5)8(11)9(7,12)13/h1-4,12-13H",FEMOMIGRRWSMCU-UHFFFAOYSA-N
BMGC_DG00331,BMG_DG003481,CCC[C@@H](C)C[C@@H](CC(=O)O)N,CCC[C@H](C[C@@H](CC(O)=O)N)C,"InChI=1S/C9H19NO2/c1-3-4-7(2)5-8(10)6-9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8+/m1/s1",JXEHXYFSIOYTAH-SFYZADRCSA-N
BMGC_DG00332,BMG_DG003495,,C(CCN1CCC(CCCC)CC1)N2c3c(CCC2=O)cccc3,,PHMGZAICAOYEAF-UHFFFAOYSA-N
BMGC_DG00333,BMG_DG003496,CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3,[C@]1(c2c(c3c(OCO3)cc2)C(O1)=O)([C@@]4(c5c(cc6OCOc6c5)CCN4C)[H])[H],"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1",IYGYMKDQCDOMRE-ZWKOTPCHSA-N
BMGC_DG00334,BMG_DG003497,COC1=CC(=C/C=C/C=C2C=C(C(=O)C(=C2)OC)OC)C=C(C1=O)OC,,"InChI=1S/C20H20O6/c1-23-15-9-13(10-16(24-2)19(15)21)7-5-6-8-14-11-17(25-3)20(22)18(12-14)26-4/h5-12H,1-4H3/b6-5+",KQTQOJWCKLPTGL-AATRIKPKSA-N
BMGC_DG00335,BMG_DG003505,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OS(=O)(=O)O)O)O)N,,"InChI=1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1",IRLPACMLTUPBCL-KQYNXXCUSA-N
BMGC_DG00336,BMG_DG003506,,c1(cccc(n1)C2=C(CCC2)c3c(ccc(c3)Cl)OCc4c(cc(cc4)F)F)C(=O)O,,PFODPHDNBFSMOX-UHFFFAOYSA-N
BMGC_DG00337,BMG_DG003514,C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2O)C(=O)O,c12c(nc(-c3ccccc3)c(c1C(O)=O)O)cccc2,"InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20)",XAPRFLSJBSXESP-UHFFFAOYSA-N
BMGC_DG00338,BMG_DG003523,C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)O)C(=O)O,c1c2C(C(c3nc(cc(c3-c2[nH]c1C(O)=O)C(O)=O)C(O)=O)=O)=O,"InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)",MMXZSJMASHPLLR-UHFFFAOYSA-N
BMGC_DG00339,BMG_DG003524,CCCCSC1=CC=C(C=C1)C(C2=CC=CC=C2)SCCN(C)C,C(c1ccc(cc1)SCCCC)(c2ccccc2)SCCN(C)C,"InChI=1S/C21H29NS2/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18/h6-14,21H,4-5,15-17H2,1-3H3",IZLPZXSZLLELBJ-UHFFFAOYSA-N
BMGC_DG00340,BMG_DG003535,C1=CC=C2C(=C1)C3=CC=CC=C3C2=O,c12-c3c(cccc3)C(c1cccc2)=O,InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,YLQWCDOCJODRMT-UHFFFAOYSA-N
BMGC_DG00341,BMG_DG003550,,c1ccc2ncc(-c3ccsc3)cc2c1,,ZWOOWBWBVMAYGL-UHFFFAOYSA-N
BMGC_DG00342,BMG_DG003567,C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCCN,n1cc([nH]c1)C[C@@H](C(O)=O)NC(=O)CCCN,"InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1",CCLQKVKJOGVQLU-QMMMGPOBSA-N
BMGC_DG00343,BMG_DG003579,C1=CC=C(C=C1)CSS(=O)CC2=CC=CC=C2,,"InChI=1S/C14H14OS2/c15-17(12-14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-10H,11-12H2",VUJONJHZKSZFSA-UHFFFAOYSA-N
BMGC_DG00344,BMG_DG003586,,CS(=O)(=O)Nc1ccncc1Oc2ccccc2,,CQEDUEBRINEBGP-UHFFFAOYSA-N
BMGC_DG00345,BMG_DG003591,C1CCN(CC1)C(=O)/C=C/C=C/C=C/C2=CC3=C(C=C2)OCO3,C(=C/C=C/C=C/C(=O)N1CCCCC1)\c2cc3c(cc2)OCO3,"InChI=1S/C19H21NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h1-2,4-5,8-11,14H,3,6-7,12-13,15H2/b2-1+,8-4+,9-5+",DLKOUKNODPCIHZ-UMYWTXKFSA-N
BMGC_DG00346,BMG_DG003594,CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=NN2C3=CC=CC=C3,,"InChI=1S/C16H15N3O2S/c1-13-7-9-15(10-8-13)22(20,21)18-16-11-12-17-19(16)14-5-3-2-4-6-14/h2-12,18H,1H3",VVUQNTKYPPFMID-UHFFFAOYSA-N
BMGC_DG00347,BMG_DG003602,CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\COC(=O)C)\C)/C,C(C)(=O)OC/C=C(/C=C/C=C(\C=C\C1=C(CCCC1(C)C)C)/C)\C,"InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9-,18-14+",QGNJRVVDBSJHIZ-AQDFTDIISA-N
BMGC_DG00348,BMG_DG003610,,c1(c(c2c(c(c1)O)c(cc(o2)-c3ccc(cc3)O)=O)CC=C(C)C)O,,MEHHCBRCXIDGKZ-UHFFFAOYSA-N
BMGC_DG00349,BMG_DG003611,,O=S(=O)(c1ccccc1)c2cn(C3CCNCC3)c4ccccc24,,VDJWPWVFSZYDTQ-UHFFFAOYSA-N
BMGC_DG00350,BMG_DG003623,COC1=CC=C(C=C1)C(=O)NC2=NC(=CC3=CC=CC=C32)C4=CC=CC=N4,,"InChI=1S/C22H17N3O2/c1-27-17-11-9-15(10-12-17)22(26)25-21-18-7-3-2-6-16(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)",VLGYXUZBVKQWQO-UHFFFAOYSA-N
BMGC_DG00351,BMG_DG003630,,Oc1c2[C@]3([C@](C(C)(C)Oc2cc(C(C)(C)c4ccccc4)c1)(CC=C(C)C3)[H])[H],,GZYXCXRHVALIJD-WOJBJXKFSA-N
BMGC_DG00352,BMG_DG003635,COCC[C@H]1CC2C[C@@]3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC,,"InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3/t14?,15-,20?,22+/m0/s1",DTJQBBHYRQYDEG-YHIIEBRDSA-N
BMGC_DG00353,BMG_DG003638,,c1([nH]c(c(c2ccc3c(c12)[nH]c(n3)Nc4c(cccc4Cl)Cl)C)C)=O,,YDEDKRCWCCZXBE-UHFFFAOYSA-N
BMGC_DG00354,BMG_DG003640,,c1(-c2cccnc2)n(ccc1)C,,RYFOJXFXERAMLS-UHFFFAOYSA-N
BMGC_DG00355,BMG_DG003641,,O(C)C(=O)C(CC)CCCC,,KICUISADAVMYCJ-UHFFFAOYSA-N
BMGC_DG00356,BMG_DG003643,,,,
BMGC_DG00357,BMG_DG003644,,,,
BMGC_DG00358,BMG_DG003662,,c1(cn(CCN2CCOCC2)c3c1cccc3)C(c4c5c(cccc5)c(cc4)C)=O,,ICKWPPYMDARCKJ-UHFFFAOYSA-N
BMGC_DG00359,BMG_DG003666,,,,
BMGC_DG00360,BMG_DG003669,CC(=O)OCOC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)(C)C,N12[C@@](SC([C@@H]1C(OCOC(=O)C)=O)(C)C)([H])[C@@H](C2=O)NC(=O)Cc3ccccc3,"InChI=1S/C19H22N2O6S/c1-11(22)26-10-27-18(25)15-19(2,3)28-17-14(16(24)21(15)17)20-13(23)9-12-7-5-4-6-8-12/h4-8,14-15,17H,9-10H2,1-3H3,(H,20,23)/t14-,15+,17-/m1/s1",NLOOMWLTUVBWAW-HLLBOEOZSA-N
BMGC_DG00361,BMG_DG003670,,C1(c2ccccc2)Oc3ccccc3C(=O)C1,,ZONYXWQDUYMKFB-UHFFFAOYSA-N
BMGC_DG00362,BMG_DG003846,COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)I)OC,C(NCc1ccccc1OC)Cc2cc(OC)c(I)cc2OC,"InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3",ZFUOLNAKPBFDIJ-UHFFFAOYSA-N
BMGC_DG00363,BMG_DG003847,,c1(C(NC(C)=O)=O)c(cccc1)O,,JZWFDVDETGFGFC-UHFFFAOYSA-N
BMGC_DG00364,BMG_DG003849,CC(C)CN(CCCN1CCN(CC1)CCCNC2=NC3=CC=CC=C3N2)CC(C)C,c1([nH]c2c(n1)cccc2)NCCCN3CCN(CC3)CCCN(CC(C)C)CC(C)C,"InChI=1S/C25H44N6/c1-21(2)19-31(20-22(3)4)14-8-13-30-17-15-29(16-18-30)12-7-11-26-25-27-23-9-5-6-10-24(23)28-25/h5-6,9-10,21-22H,7-8,11-20H2,1-4H3,(H2,26,27,28)",KLKKWCPJBTXWOV-UHFFFAOYSA-N
BMGC_DG00365,BMG_DG003858,CCN1C2=NC=C(C(=C2C=N1)NC3CCOCC3)C4=NN=C(O4)CC5=C(N=C(S5)C)C,c12c(c(c(cn1)-c3oc(nn3)Cc4c(nc(s4)C)C)NC5CCOCC5)cnn2CC,"InChI=1S/C21H25N7O2S/c1-4-28-20-15(11-23-28)19(25-14-5-7-29-8-6-14)16(10-22-20)21-27-26-18(30-21)9-17-12(2)24-13(3)31-17/h10-11,14H,4-9H2,1-3H3,(H,22,25)",AWDJJMXJUOHGLC-UHFFFAOYSA-N
BMGC_DG00366,BMG_DG003859,C1=CC=C(C(=C1)C(=O)NCC(=O)O)O,c1(C(NCC(=O)O)=O)c(O)cccc1,"InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)",ONJSZLXSECQROL-UHFFFAOYSA-N
BMGC_DG00367,BMG_DG003861,C1COCCC1CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=C(C=C(C=C3)Cl)Cl,c1(c(nc(Nc2c(Cl)cc(Cl)cc2)nc1)C(F)(F)F)C(NCC3CCOCC3)=O,"InChI=1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)",TWQYWUXBZHPIIV-UHFFFAOYSA-N
BMGC_DG00368,BMG_DG003873,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,[C@@H]1([C@H](CN[C@@H]1C(O)=O)C(C)=C)CC(O)=O,"InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1",VLSMHEGGTFMBBZ-OOZYFLPDSA-N
BMGC_DG00369,BMG_DG003877,CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,c1(c(c2C(c3c(c(C(=O)O)c(cc3C(c2c(c1O)O)=O)O)C)=O)O)[C@@]4(O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)[H],"InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19+,20-,21+/m1/s1",DGQLVPJVXFOQEV-JNVSTXMASA-N
BMGC_DG00370,BMG_DG003879,CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,C(OCCN(C)C)(c1ccccc1)c2ccccc2.OC(=O)Cn1cnc2n(C)c(=O)n(c(=O)c12)C,"InChI=1S/C17H21NO.C9H10N4O4/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h3-12,17H,13-14H2,1-2H3;4H,3H2,1-2H3,(H,14,15)",UFKLOBYBVCBTBP-UHFFFAOYSA-N
BMGC_DG00371,BMG_DG003880,,c12cccc(-c3c(cc(cc3OC)COC)OC)n1nc(CC)c2N(CC4CC4)CC5CCOCC5,,KGMOFBPANMLEMS-UHFFFAOYSA-N
BMGC_DG00372,BMG_DG003887,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F,,"InChI=1S/C9H14FN2O15P3/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1",AREUQFTVCMGENT-UAKXSSHOSA-N
BMGC_DG00373,BMG_DG003891,C1=CC=C2C(=C1)C(=CN2)C=O,c12c([nH]cc1C=O)cccc2,"InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H",OLNJUISKUQQNIM-UHFFFAOYSA-N
BMGC_DG00374,BMG_DG003902,CN(C)CCC1=CNC2=C1C=C(C=C2)O,[nH]1cc(CCN(C)C)c2c1ccc(O)c2,"InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3",VTTONGPRPXSUTJ-UHFFFAOYSA-N
BMGC_DG00375,BMG_DG003937,CC(=O)N(CC1=CC=CC=C1OC)CC(CC2=CNC3=CC=CC=C32)NC(=O)CN4CCC(CC4)N5CCCCC5,,"InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-4-7-13-32(26)41-2)23-28(20-27-21-34-31-12-6-5-11-30(27)31)35-33(40)24-36-18-14-29(15-19-36)37-16-8-3-9-17-37/h4-7,10-13,21,28-29,34H,3,8-9,14-20,22-24H2,1-2H3,(H,35,40)",CVXJAPZTZWLRBP-UHFFFAOYSA-N
BMGC_DG00376,BMG_DG003942,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC(=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC5=NOC(=C5C)C)COCC,c1c(c(ccc1)S(Nc2c(c(on2)C)C)(=O)=O)-c3c(cc(cc3)CN4C(C5(N=C4CCCC)CCCC5)=O)COCC,"InChI=1S/C32H40N4O5S/c1-5-7-14-29-33-32(17-10-11-18-32)31(37)36(29)20-24-15-16-26(25(19-24)21-40-6-2)27-12-8-9-13-28(27)42(38,39)35-30-22(3)23(4)41-34-30/h8-9,12-13,15-16,19H,5-7,10-11,14,17-18,20-21H2,1-4H3,(H,34,35)",WRFHGDPIDHPWIQ-UHFFFAOYSA-N
BMGC_DG00377,BMG_DG003945,C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)O,O(c1c[nH]c2ccccc21)S(O)(=O)=O,"InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)",BXFFHSIDQOFMLE-UHFFFAOYSA-N
BMGC_DG00378,BMG_DG003965,CSCCNC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(C(P(=O)([O-])[O-])(Cl)Cl)[O-])O)O.[Na+].[Na+].[Na+].[Na+],P([O-])(=O)(C(Cl)(Cl)P([O-])([O-])=O)OP(OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](n2c3c(nc2)c(NCCSC)nc(SCCC(F)(F)F)n3)O1)([O-])=O.[Na+].[Na+].[Na+].[Na+],"InChI=1S/C17H25Cl2F3N5O12P3S2.4Na/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32;;;;/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32);;;;/q;4*+1/p-4/t8-,10-,11-,14-;;;;/m1..../s1",COWWROCHWNGJHQ-OPKBHZIBSA-J
BMGC_DG00379,BMG_DG003982,C1CNC(=O)/C(=N/O)/CC2=CC(=C(C=C2)OC3=C(C(=CC(=C3)C/C(=N\O)/C(=O)N/C=C/C4=CC(=C(C(=C4)Br)OC5=C(C(=CC1=C5)Br)O)Br)Br)O)Br,,"InChI=1S/C34H25Br5N4O8/c35-20-7-16-1-2-27(20)50-28-15-19(11-22(37)30(28)44)13-26(43-49)34(47)40-5-3-17-9-23(38)32(24(39)10-17)51-29-14-18(8-21(36)31(29)45)4-6-41-33(46)25(12-16)42-48/h1-3,5,7-11,14-15,44-45,48-49H,4,6,12-13H2,(H,40,47)(H,41,46)/b5-3+,42-25+,43-26+",HXWATZFIMWEHEG-XDDRAWHZSA-N
BMGC_DG00380,BMG_DG004015,,[nH]1cnc2n(c([nH]c(c12)=O)=S)C[C@@H]3OCCC3,,RSPDBEVKURKEII-ZCFIWIBFSA-N
BMGC_DG00381,BMG_DG004025,,CCCC(=O)Nc1n[nH]c2cc(C(F)(F)F)ccc12,,RVYSDAGRNRYYML-UHFFFAOYSA-N
BMGC_DG00382,BMG_DG004038,CCN(CC)CCC1(CCC(=O)NC1=O)C2=CC=CC=C2,C1(NC(=O)CCC1(CCN(CC)CC)c2ccccc2)=O,"InChI=1S/C17H24N2O2/c1-3-19(4-2)13-12-17(14-8-6-5-7-9-14)11-10-15(20)18-16(17)21/h5-9H,3-4,10-13H2,1-2H3,(H,18,20,21)",BFMBKRQFMIILCH-UHFFFAOYSA-N
BMGC_DG00383,BMG_DG004039,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,C(OP(=O)(O)O)[C@@]1(O)O[C@@H]([C@H]([C@@H]1O)O)COP(=O)(O)O,"InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1",RNBGYGVWRKECFJ-ARQDHWQXSA-N
BMGC_DG00384,BMG_DG004045,,,,
BMGC_DG00385,BMG_DG004056,,c1(c(c(cc(c1)OC)C(C)(C)C)O)C(C)(C)C,,SLUKQUGVTITNSY-UHFFFAOYSA-N
BMGC_DG00386,BMG_DG004067,CC(CC1=CC=CC=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C.Cl,c12c(c(=O)n(c(n1C)=O)C)n(CCNC(Cc3ccccc3)C)cn2.Cl,"InChI=1S/C18H23N5O2.ClH/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2;/h4-8,12-13,19H,9-11H2,1-3H3;1H",MVXGSLGVWBVZCA-UHFFFAOYSA-N
BMGC_DG00387,BMG_DG004076,,c1(c(cncc1)C(O)=O)C(O)=O,,MUYSADWCWFFZKR-UHFFFAOYSA-N
BMGC_DG00388,BMG_DG004080,,n1n(c([nH]c(c1)=O)=O)-c2cc(c(c(c2)C)Oc3cc(c(cc3)O)Cc4ccc(cc4)F)C,,HQXKNHQWCAXRDN-UHFFFAOYSA-N
BMGC_DG00389,BMG_DG004082,CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=C4C=CSC4=C(C=C3)C[C@@H](C(=O)O)OC,[C@H](Cc1c2c(c(cc1)OCCc3c(C)oc(n3)-c4ccccc4)ccs2)(C(O)=O)OC,"InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1",DAYKLWSKQJBGCS-NRFANRHFSA-N
BMGC_DG00390,BMG_DG004086,,CC(OCc1cc2c3c4CNC(=O)c4c5-c6ccccc6Cc5c3n(CCCO)c2cc1)C,,MLIFNJABMANKEU-UHFFFAOYSA-N
BMGC_DG00391,BMG_DG004089,CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=NC=C(C=C3)Cl,c1cc(cnc1NC(c2c(NC(c3ccc(C(=N)N(C)C)cc3)=O)ccc(c2)OC)=O)Cl,"InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)",XHOLNRLADUSQLD-UHFFFAOYSA-N
BMGC_DG00392,BMG_DG004090,,c1(c(ccc(c1)[N+](=O)[O-])C)S(=O)(=O)N(/N=C/c2cnc3ccc(cn32)Br)C,,QTHCAAFKVUWAFI-DJKKODMXSA-N
BMGC_DG00393,BMG_DG004094,C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3S2)C4=C(C(=CC=C4)Cl)Cl,,"InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)",CPTSTFKVXWZGEV-UHFFFAOYSA-N
BMGC_DG00394,BMG_DG004101,,C(=O)(N1CCC(CC1)(N2CCC(CC2)N(c3cnccc3)c4ccccc4)C)c5c([n+](ccc5C)[O-])C,,DDVVRHNNOPQPGB-UHFFFAOYSA-N
BMGC_DG00395,BMG_DG004111,C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O,[C@@]1(C=C[C@H](C=C1)O)(CC(C(=O)O)=O)C(=O)O,"InChI=1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)",FPWMCUPFBRFMLH-UHFFFAOYSA-N;FPWMCUPFBRFMLH-XGAOUMNUSA-N
BMGC_DG00396,BMG_DG004114,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C,C1c2sc(C(N[C@@H]3C[C@@H](C(N(C)C)=O)CC[C@@H]3NC(=O)C(=O)Nc4ccc(Cl)cn4)=O)nc2CCN1C,"InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1",HGVDHZBSSITLCT-JLJPHGGASA-N
BMGC_DG00397,BMG_DG004115,CC1=CC(=O)C(=CC1=O)C(C)C,C1(=CC(C(=CC1=O)C)=O)C(C)C,"InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3",KEQHJBNSCLWCAE-UHFFFAOYSA-N
BMGC_DG00398,BMG_DG004131,C1=CC=C2C(=C1)C=CNC2=O,c12c(c([nH]cc1)=O)cccc2,"InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)",VDBNYAPERZTOOF-UHFFFAOYSA-N
BMGC_DG00399,BMG_DG004149,C1=CC=C2C(=C1)C(=O)C=CO2,c12c(c(cco1)=O)cccc2,InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,OTAFHZMPRISVEM-UHFFFAOYSA-N
BMGC_DG00400,BMG_DG004150,,s1c(nc2c1C(C=C(C2=O)NCCN(C)C)=O)C,,MTUYOFGUEXWKLC-UHFFFAOYSA-N
BMGC_DG00401,BMG_DG004153,C1C[C@H]2[C@@H](C1)C3=C(C=CC(=C3)O)O[C@H]2C4=CC=C(C=C4)O,[H][C@@]12CCC[C@]1([H])[C@H](c3ccc(O)cc3)Oc4ccc(O)cc42,"InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1",XIESSJVMWNJCGZ-VKJFTORMSA-N
BMGC_DG00402,BMG_DG004156,,,,
BMGC_DG00403,BMG_DG004157,CCCOC(=O)CC1=CC(=C(C=C1)OCC(=O)N(CC)CC)OCC,C(Cc1cc(c(cc1)OCC(=O)N(CC)CC)OCC)(=O)OCCC,"InChI=1S/C19H29NO5/c1-5-11-24-19(22)13-15-9-10-16(17(12-15)23-8-4)25-14-18(21)20(6-2)7-3/h9-10,12H,5-8,11,13-14H2,1-4H3",QPUVKSKJCNGSGT-UHFFFAOYSA-N
BMGC_DG00404,BMG_DG004165,CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)F)C(=O)NOCCO,N(c1c(C(NOCCO)=O)cc2c(c1F)ncn2C)c3c(F)cc(Br)cc3,"InChI=1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)",ACWZRVQXLIRSDF-UHFFFAOYSA-N
BMGC_DG00405,BMG_DG004207,CCNCCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C,c1([nH]c(c(c1C)C(NCCNCC)=O)C)/C=C/2\C(Nc3c2cc(cc3)F)=O,"InChI=1S/C20H23FN4O2/c1-4-22-7-8-23-20(27)18-11(2)17(24-12(18)3)10-15-14-9-13(21)5-6-16(14)25-19(15)26/h5-6,9-10,22,24H,4,7-8H2,1-3H3,(H,23,27)(H,25,26)/b15-10-",LIZNIAKSBJKPQC-GDNBJRDFSA-N
BMGC_DG00406,BMG_DG004208,,c1(c2c(c(CCC)c(c(c2)CCC)OC(C(=O)O)(C)C)on1)C(F)(F)F,,RUIWUDJYVYEUJX-UHFFFAOYSA-N
BMGC_DG00407,BMG_DG004216,CC1(CCC(C2=C1C=C(C(=C2)/C=C/C3=CC=C(C=C3)C(=O)O)CN4C=CC=N4)(C)C)C,C1CC(c2c(C1(C)C)cc(/C=C/c3ccc(cc3)C(O)=O)c(c2)Cn4cccn4)(C)C,"InChI=1S/C27H30N2O2/c1-26(2)12-13-27(3,4)24-17-22(18-29-15-5-14-28-29)21(16-23(24)26)11-8-19-6-9-20(10-7-19)25(30)31/h5-11,14-17H,12-13,18H2,1-4H3,(H,30,31)/b11-8+",YTFHCXIPDIHOIA-DHZHZOJOSA-N
BMGC_DG00408,BMG_DG004219,,CS(=O)(=O)Nc1c(cc(cc1)CNC(=S)NCc2ccc(cc2)C(C)(C)C)F,,DUHBVFMCIJLUJX-UHFFFAOYSA-N
BMGC_DG00409,BMG_DG004223,,O(CCN1CCC(Cc2cc3c(cc2)OCC(=O)N3)CC1)c4c5c(ccc4)nc(C)cc5,,PJSUYRBCBFPCQW-UHFFFAOYSA-N
BMGC_DG00410,BMG_DG004224,,c1(c(ccc2ccccc12)S(=O)(=O)NCCNCCCc3ccc(cc3)CN)Cl,,MFKKOBLWAUMGNF-UHFFFAOYSA-N
BMGC_DG00411,BMG_DG004229,CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65,c1(C2=C(c3nc(nc4ccccc34)N5CCN(CC5)C)C(NC2=O)=O)c[nH]c6c1cccc6,"InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)",OAVGBZOFDPFGPJ-UHFFFAOYSA-N
BMGC_DG00412,BMG_DG004230,C[C@@H]([C@@H](C1=CC=CC=C1)O)N,c1([C@H]([C@H](C)N)O)ccccc1;[C@@H](c1ccccc1)([C@@H](N)C)O,"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s1",DLNKOYKMWOXYQA-CBAPKCEASA-N
BMGC_DG00413,BMG_DG004231,CCN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4N[C@H](C)C5=CC=CC=C5,c12c([nH]c(c1)-c3ccc(CN4CCN(CC4)CC)cc3)ncnc2N[C@@H](c5ccccc5)C,"InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1",OONFNUWBHFSNBT-HXUWFJFHSA-N
BMGC_DG00414,BMG_DG004234,CC1=C(C=CC(=C1)F)C2=C3C=CC(=O)N(C3=NC(=N2)NC(CO)CO)C4=C(C=CC=C4F)F,c1cc2c(nc(nc2n(-c3c(cccc3F)F)c1=O)NC(CO)CO)-c4c(cc(cc4)F)C,"InChI=1S/C23H19F3N4O3/c1-12-9-13(24)5-6-15(12)20-16-7-8-19(33)30(21-17(25)3-2-4-18(21)26)22(16)29-23(28-20)27-14(10-31)11-32/h2-9,14,31-32H,10-11H2,1H3,(H,27,28,29)",ORVNHOYNEHYKJG-UHFFFAOYSA-N
BMGC_DG00415,BMG_DG004237,CC1=C(C=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)CNC(=O)N4CCC[C@H]4C(=O)N(C)C,N(C)(C)C([C@@H]1CCCN1C(NCc2ccc(C(N3c4ccccc4CCCC3)=O)cc2C)=O)=O,"InChI=1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m0/s1",RUOLFWZIFNQQGH-DEOSSOPVSA-N
BMGC_DG00416,BMG_DG004240,CC(=CCC1=C(C2=C(C=C1O)OC3=C(C(=C(C(=C3C2=O)CC=C(C)C)O)O)CC=C(C)C)O)C,CC(C)=CCc1c(O)cc2oc3c(CC=C(C)C)c(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O,"InChI=1S/C28H32O6/c1-14(2)7-10-17-20(29)13-21-23(24(17)30)27(33)22-18(11-8-15(3)4)25(31)26(32)19(28(22)34-21)12-9-16(5)6/h7-9,13,29-32H,10-12H2,1-6H3",WVJYEKGQSBGNRP-UHFFFAOYSA-N
BMGC_DG00417,BMG_DG004244,CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)NC(=O)CC(=O)O)Br)O,c1(c(cc(cc1Br)NC(CC(=O)O)=O)Br)Oc2cc(C(C)C)c(cc2)O,"InChI=1S/C18H17Br2NO5/c1-9(2)12-7-11(3-4-15(12)22)26-18-13(19)5-10(6-14(18)20)21-16(23)8-17(24)25/h3-7,9,22H,8H2,1-2H3,(H,21,23)(H,24,25)",VPCSYAVXDAUHLT-UHFFFAOYSA-N
BMGC_DG00418,BMG_DG004245,CC(CO)O,OC(CO)C,"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3",DNIAPMSPPWPWGF-UHFFFAOYSA-N
BMGC_DG00419,BMG_DG004252,,c12c(cccc1)OCCO2,,BNBQRQQYDMDJAH-UHFFFAOYSA-N
BMGC_DG00420,BMG_DG004258,CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl,c1(cc(OC2CCOCC2)c3c(ncnc3Nc4c5c(ccc4Cl)OCO5)c1)OCCN6CCN(CC6)C,"InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)",OUKYUETWWIPKQR-UHFFFAOYSA-N
BMGC_DG00421,BMG_DG004259,CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)O,c1(c(cccc1)C(O)=O)/N=N/c2ccc(cc2)N(C)C,"InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)",CEQFOVLGLXCDCX-WUKNDPDISA-N;CEQFOVLGLXCDCX-UHFFFAOYSA-N
BMGC_DG00422,BMG_DG004272,,CC(Nc1c(S(N[C@H](C(N2CCC(=C(F)F)CC2)=O)CCCc3ncc(N)cc3)(=O)=O)cccc1-c4ccccc4)=O,,CZDGBCPZABMRBF-SANMLTNESA-N
BMGC_DG00423,BMG_DG004279,,,,
BMGC_DG00424,BMG_DG004289,,Oc1ccccc1-c2cnc[nH]2,,BYAAMOMNSVKNMA-UHFFFAOYSA-N
BMGC_DG00425,BMG_DG004293,,,,
BMGC_DG00426,BMG_DG004301,,c1(C[C@@H](C(O)=O)NC(=O)/C=C/c2ccc(c(c2)O)O)ccc(cc1)O,,JRXLVUMFJASLDR-PXYYCUNGSA-N
BMGC_DG00427,BMG_DG004302,,C#Cc1ccc-2c(c1)C(c3ccccn3)=NCc4c(C(=O)OCC)ncn42,,ZSEDMNMFODMQRD-UHFFFAOYSA-N
BMGC_DG00428,BMG_DG004303,CCC1=NC2=C(N1CCCCNS(=O)(=O)C)C3=CC=CC=C3N=C2N,c1c2nc(N)c3nc(n(c3c2ccc1)CCCCNS(=O)(=O)C)CC,"InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)",YZOQZEXYFLXNKA-UHFFFAOYSA-N
BMGC_DG00429,BMG_DG004307,C1CN(CCN1C2=NC=C(C=N2)C(=O)NO)S(=O)(=O)C3=CC4=CC=CC=C4C=C3,c1(ncc(cn1)C(=O)NO)N2CCN(CC2)S(=O)(=O)c3cc4ccccc4cc3,"InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)",MUTBJZVSRNUIHA-UHFFFAOYSA-N
BMGC_DG00430,BMG_DG004308,CCCO,OCCC,"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",BDERNNFJNOPAEC-UHFFFAOYSA-N
BMGC_DG00431,BMG_DG004310,C1=CC(=CC=C1CCCCN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N)OCC(CO)O,c1(Cl)nc(c(nc1N)N)C(NC(=N)NCCCCc2ccc(cc2)OCC(CO)O)=O,"InChI=1S/C19H26ClN7O4/c20-15-17(22)26-16(21)14(25-15)18(30)27-19(23)24-8-2-1-3-11-4-6-13(7-5-11)31-10-12(29)9-28/h4-7,12,28-29H,1-3,8-10H2,(H4,21,22,26)(H3,23,24,27,30)",NTRKMGDUWYBLMS-UHFFFAOYSA-N
BMGC_DG00432,BMG_DG004312,C1C(S[As](S1)C2=CC=C(C=C2)NC3=NC(=NC(=N3)N)N)CO,[As]1(SC(CO)CS1)c2ccc(Nc3nc(N)nc(n3)N)cc2,"InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)",JCYZMTMYPZHVBF-UHFFFAOYSA-N
BMGC_DG00433,BMG_DG004315,C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@]3(CCC(=O)N3)CN2)C4=CC=CC=C4,[C@]12(CN[C@@](CC1)(c3ccccc3)CO[C@@H](c4cc(cc(c4)C(F)(F)F)C(F)(F)F)C)NC(=O)CC2,"InChI=1S/C25H26F6N2O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34)/t16-,22-,23-/m1/s1",FIVSJYGQAIEMOC-ZGNKEGEESA-N
BMGC_DG00434,BMG_DG004322,,c1(C(NO)=O)ccccc1,,VDEUYMSGMPQMIK-UHFFFAOYSA-N
BMGC_DG00435,BMG_DG004337,,[Mn+2].[Cl-].[Cl-],,GLFNIEUTAYBVOC-UHFFFAOYSA-L
BMGC_DG00436,BMG_DG004346,,C(O)[C@@H]1[C@H](O)[C@H](O)CCN1,,YZNNBIPIQWYLDM-PBXRRBTRSA-N
BMGC_DG00437,BMG_DG004378,,c12c(C(C)(C)CCC1(C)C)ccc(C#Cc3ccc(C(=O)O)cc3)c2,,OQVLOWLEEHYBJH-UHFFFAOYSA-N
BMGC_DG00438,BMG_DG004380,,C(CN1CCN(C)CC1)(C2(O)CCCCC2)c3cc(Cl)ccc3,,GRUIIAQNNWQJPW-UHFFFAOYSA-N
BMGC_DG00439,BMG_DG004398,CC(C)(C)NCC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O,CC(NCc1c(O)cc(Nc2ccnc3cc(ccc32)Cl)cc1)(C)C,"InChI=1S/C20H22ClN3O/c1-20(2,3)23-12-13-4-6-15(11-19(13)25)24-17-8-9-22-18-10-14(21)5-7-16(17)18/h4-11,23,25H,12H2,1-3H3,(H,22,24)",ZVMMVSSEAMUNGI-UHFFFAOYSA-N
BMGC_DG00440,BMG_DG004411,,,,
BMGC_DG00441,BMG_DG004414,,N1(c2c(cc3c(CCC4CCN(CC4)Cc5ccccc5)noc3c2)CC1=O)C,,GBRYDMXCJVBJHH-UHFFFAOYSA-N
BMGC_DG00442,BMG_DG004429,,O1CCN(CC1)CCn2cc(c3c2cccc3)C(=O)c4ccc(c5c4cccc5)OC,,QWHSUXWDDKWTOG-UHFFFAOYSA-N
BMGC_DG00443,BMG_DG004430,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C,,"InChI=1S/C27H44O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-22,24,28,30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,24+,26+,27-/m1/s1",NQBVGGWSAXBLBE-BYJKJZODSA-N
BMGC_DG00444,BMG_DG004432,CCC(=O)O,C(=O)(O)CC,"InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)",XBDQKXXYIPTUBI-UHFFFAOYSA-N
BMGC_DG00445,BMG_DG004434,,,,
BMGC_DG00446,BMG_DG004437,,c1(c(oc2c1ccc(c2)O)CC)C(c3cc(Br)c(c(c3)Br)O)=O,,FEXBXMFVRKZOOZ-UHFFFAOYSA-N
BMGC_DG00447,BMG_DG004454,CN([C@H]1CCN(C1=O)CC2=CSC(=C2)C(=N)N)S(=O)(=O)C3=CC4=C(C=CC(=C4)OC)C=C3,,"InChI=1S/C22H24N4O4S2/c1-25(19-7-8-26(22(19)27)12-14-9-20(21(23)24)31-13-14)32(28,29)18-6-4-15-3-5-17(30-2)10-16(15)11-18/h3-6,9-11,13,19H,7-8,12H2,1-2H3,(H3,23,24)/t19-/m0/s1",YQYYTNCSSDRJHZ-IBGZPJMESA-N
BMGC_DG00448,BMG_DG004455,CC12CCN(C(C1(C)CCC(=O)CCC3CCCC3)CC4=C2C=C(C=C4)O)C,,"InChI=1S/C25H37NO2/c1-24-14-15-26(3)23(16-19-9-11-21(28)17-22(19)24)25(24,2)13-12-20(27)10-8-18-6-4-5-7-18/h9,11,17-18,23,28H,4-8,10,12-16H2,1-3H3",LOYWOYCPSWPKFH-UHFFFAOYSA-N
BMGC_DG00449,BMG_DG004465,,C(/C=C/c1cc(ccc1)C#N)(=O)N(C2CCN(CC2)CCC3CCCC3)c4ccc5CCN(c5c4)C(=O)C,,DSEJCLDJIFTPPH-FMIVXFBMSA-N
BMGC_DG00450,BMG_DG004466,CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C,C1(CCC1)CC(NC([C@H]2N(C[C@@H]3C([C@H]23)(C)C)C([C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)=O)=O)C(C(=O)N)=O,"InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1",LHHCSNFAOIFYRV-DOVBMPENSA-N
BMGC_DG00451,BMG_DG004474,,O(c1c2c3oc(C)cc(=O)c3c(O)cc2cc(OC)c1-c4c5oc(C)cc(=O)c5c(O)c6c(cc(OC)cc64)OC)C,,FFNPXDMNZBCNMN-UHFFFAOYSA-N
BMGC_DG00452,BMG_DG004475,C1CC2=CC=CC=C2C1,c12c(CCC1)cccc2,"InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2",PQNFLJBBNBOBRQ-UHFFFAOYSA-N
BMGC_DG00453,BMG_DG004490,,Cc1nnc2n1-c3c(cc(cc3)Br)C(=NC2)c4ccccc4Cl,,BUTCFAZTKZDYCN-UHFFFAOYSA-N
BMGC_DG00454,BMG_DG004492,CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCC(=O)N3,,"InChI=1S/C54H85N13O15S/c1-7-30(4)44(53(81)57-27-42(70)60-36(24-29(2)3)49(77)61-33(45(56)73)20-23-83-6)66-50(78)37(25-32-14-9-8-10-15-32)63-46(74)31(5)58-48(76)38(26-43(71)72)64-47(75)34(16-11-12-21-55)62-51(79)39(28-68)65-52(80)40-17-13-22-67(40)54(82)35-18-19-41(69)59-35/h8-10,14-15,29-31,33-40,44,68H,7,11-13,16-28,55H2,1-6H3,(H2,56,73)(H,57,81)(H,58,76)(H,59,69)(H,60,70)(H,61,77)(H,62,79)(H,63,74)(H,64,75)(H,65,80)(H,66,78)(H,71,72)/t30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,44-/m0/s1",AYLPVIWBPZMVSH-FCKMLYJASA-N
BMGC_DG00455,BMG_DG004493,,c12c(OCC1)cccc2,,HBEDSQVIWPRPAY-UHFFFAOYSA-N
BMGC_DG00456,BMG_DG004500,,Oc1c(CC(C)C)cc(CC(C)C)cc1,,HODFXOIYAQPWHD-UHFFFAOYSA-N
BMGC_DG00457,BMG_DG004508,,C1CNCCC1CCCc2cnc[nH]2,,YPGRNKJNOSUCLY-UHFFFAOYSA-N
BMGC_DG00458,BMG_DG004514,,c12c(oc(c1)C(O)=O)cccc2,,OFFSPAZVIVZPHU-UHFFFAOYSA-N
BMGC_DG00459,BMG_DG004520,,O1c2ccc3c(c2CCC1)c(c[nH]3)C[C@@H](N)C,,VVHJUSGIUWQPIT-VIFPVBQESA-N
BMGC_DG00460,BMG_DG004521,CC(=O)C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O,O=C1c2ccccc2C(=O)c3oc(C(=O)C)cc31,"InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3",DPHUWDIXHNQOSY-UHFFFAOYSA-N
BMGC_DG00461,BMG_DG004522,CC1=CC(=NC(=C1N)C#CC2=CC(=CC=C2)F)C,C(c1nc(C)cc(C)c1N)#Cc2cccc(F)c2,"InChI=1S/C15H13FN2/c1-10-8-11(2)18-14(15(10)17)7-6-12-4-3-5-13(16)9-12/h3-5,8-9H,17H2,1-2H3",MEDCLNYIYBERKO-UHFFFAOYSA-N
BMGC_DG00462,BMG_DG004536,,C(C[C@H](c1cccs1)Oc2cccc3ccccc23)NC,,ZEUITGRIYCTCEM-QGZVFWFLSA-N
BMGC_DG00463,BMG_DG004542,CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)[C@@]3(CCN4C3=CN=C4)O,c1cc2c(cc1C(NC)=O)ccc(c2)[C@]3(c4n(CC3)cnc4)O,"InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m1/s1",OZPFIJIOIVJZMN-GOSISDBHSA-N
BMGC_DG00464,BMG_DG004551,,c12ccccn1nc(c2)CN3CCN(CC3)c4ccc(cc4)Cl,,DTRXURJDKOYCCD-UHFFFAOYSA-N
BMGC_DG00465,BMG_DG004555,,O=C1c2c(O[C@@H](C1)c3ccc(cc3)O)cc(c(c2)CC=C(C)C)OC,,VOCGSQHKPZSIKB-FQEVSTJZSA-N
BMGC_DG00466,BMG_DG004559,,n1(c(c(c2cc(ccc12)C)-c3ccnc4c(cccc34)C)C)CC(=O)O,,PYCNZTVHCBCNPY-UHFFFAOYSA-N
BMGC_DG00467,BMG_DG004560,,S(=O)(c1cccc(F)c1)(c2cn(CCN(C)C)c3ncccc32)=O,,SFSFIDVAEMDPIP-UHFFFAOYSA-N
BMGC_DG00468,BMG_DG004563,CC1(C=CC2=C(C(=C(C=C2O1)OC)C(=O)/C=C/C3=CC=C(C=C3)O)O)C,,"InChI=1S/C21H20O5/c1-21(2)11-10-15-17(26-21)12-18(25-3)19(20(15)24)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24H,1-3H3/b9-6+",CVMUWVCGBFJJFI-RMKNXTFCSA-N
BMGC_DG00469,BMG_DG004574,,,,
BMGC_DG00470,BMG_DG004577,C(=O)([O-])[O-].[Na+].[Na+],[O-]C([O-])=O.[Na+].[Na+],"InChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",CDBYLPFSWZWCQE-UHFFFAOYSA-L
BMGC_DG00471,BMG_DG004585,,c1(nc(c(cn1)C(=O)N)NCc2ccccc2)NCCc3cc(c(cc3)O)Cl,,OZRMEKAUZBKTTC-UHFFFAOYSA-N
BMGC_DG00472,BMG_DG004587,C1C=CC(=O)O1,C=1COC(C1)=O,"InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2",VIHAEDVKXSOUAT-UHFFFAOYSA-N
BMGC_DG00473,BMG_DG004589,C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F,c1(c(F)cccc1F)N(C(=O)N)c2nc(c(cc2)C(N)=O)-c3ccc(cc3F)F,"InChI=1S/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)",FYSRKRZDBHOFAY-UHFFFAOYSA-N
BMGC_DG00474,BMG_DG004590,,[C@]1([C@@H](C1)C2CCCCC2)(C(=O)Nc3sccn3)c4ccc(cc4)S(=O)(=O)C,,GSCWRMDHCYJPDA-PXNSSMCTSA-N
BMGC_DG00475,BMG_DG004592,,c1(cc(c(cc1)OC)C(=O)NCc2ccc(cc2)C(F)(F)F)C[C@@H](C(=O)O)CC,,YSFRXMSOTXOZQZ-HNNXBMFYSA-N
BMGC_DG00476,BMG_DG004603,CC(=CCC/C(=C/CC1=CC(=C(C=C1O)O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)/C)C,,"InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-16-9-18(20(28)12-19(16)27)23-13-22(30)25-21(29)10-17(26)11-24(25)31-23/h5,7,9-12,23,26-29H,4,6,8,13H2,1-3H3/b15-7+",GJFHZVPRFLHEBR-VIZOYTHASA-N
BMGC_DG00477,BMG_DG004606,C1CC(=C(C1)C(=O)O)C(=O)NC2=C(C=C(C=C2F)C3=CC(=CC=C3)OC(F)(F)F)F,,"InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29)",VTGXLCZUWFYELR-UHFFFAOYSA-N
BMGC_DG00478,BMG_DG004611,CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=[N+](C=C3)[O-],c1c(NS(c2ccc(cc2)C(C)(C)C)(=O)=O)c(C(=O)c3cc[n+]([O-])cc3)cc(c1)Cl,"InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3",JRWROCIMSDXGOZ-UHFFFAOYSA-N
BMGC_DG00479,BMG_DG004612,CN1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)C3=CC4=C5N3CCCC5=CC=C4)C6=CC=CC=C6,c1c(n2c3c1cccc3CCC2)C(N[C@@H]4C(N(c5c(C(=N4)c6ccccc6)cccc5)C)=O)=O,"InChI=1S/C28H24N4O2/c1-31-22-15-6-5-14-21(22)24(18-9-3-2-4-10-18)29-26(28(31)34)30-27(33)23-17-20-12-7-11-19-13-8-16-32(23)25(19)20/h2-7,9-12,14-15,17,26H,8,13,16H2,1H3,(H,30,33)/t26-/m1/s1",CZPILLBHPRAPCB-AREMUKBSSA-N
BMGC_DG00480,BMG_DG004613,,,,
BMGC_DG00481,BMG_DG004615,,c1nc(n(c(c1N)=O)CC(N[C@@H](C(C)C)C(=O)c2oc(nn2)C(C)(C)C)=O)-c3ccccc3,,YSIHYROEMJSOAS-KRWDZBQOSA-N
BMGC_DG00482,BMG_DG004621,CNC(=O)COC1=CC=CC(=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OC(C(=O)N4)(F)F)F,C(COc1cc(ccc1)Nc2nc(c(cn2)F)Nc3cc4NC(C(Oc4cc3)(F)F)=O)(=O)NC,"InChI=1S/C21H17F3N6O4/c1-25-17(31)10-33-13-4-2-3-11(7-13)28-20-26-9-14(22)18(30-20)27-12-5-6-16-15(8-12)29-19(32)21(23,24)34-16/h2-9H,10H2,1H3,(H,25,31)(H,29,32)(H2,26,27,28,30)",MOXXQFNQDDSJHT-UHFFFAOYSA-N
BMGC_DG00483,BMG_DG004627,CC(C)(CC1CC2=CC=CC=C2C1)NC[C@H](COC3=C(C(=CC(=C3)CCC(=O)O)F)F)O,c1(c(F)c(F)cc(CCC(=O)O)c1)OC[C@@H](CNC(C)(CC2Cc3c(C2)cccc3)C)O,"InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)/t20-/m1/s1",FQJISUPNMFRIFZ-HXUWFJFHSA-N
BMGC_DG00484,BMG_DG004638,,N1([C@@H]([C@H](C1=O)C[C@@]2(CN(CCC2)C(=N)N)[H])C(=O)O)C(=O)N3CCN(CC3)C(CCCCCc4ccccc4)=O,,FHCQLMSOTXBNCN-AKFKNWHVSA-N
BMGC_DG00485,BMG_DG004655,CN(C)CC1=C(SC2=C1C(=O)N(C(=O)N2CC3=C(C=CC=C3F)F)C4=NN=C(C=C4)OC)C5=CC=C(C=C5)NC(=O)NOC,CN(C)Cc1c2c(=O)n(-c3ccc(nn3)OC)c(=O)n(Cc4c(cccc4F)F)c2sc1-c5ccc(cc5)NC(=O)NOC,"InChI=1S/C29H27F2N7O5S/c1-36(2)14-19-24-26(39)38(22-12-13-23(42-3)34-33-22)29(41)37(15-18-20(30)6-5-7-21(18)31)27(24)44-25(19)16-8-10-17(11-9-16)32-28(40)35-43-4/h5-13H,14-15H2,1-4H3,(H2,32,35,40)",AOMXMOCNKJTRQP-UHFFFAOYSA-N
BMGC_DG00486,BMG_DG004656,,CC(CC(O)=O)C(O)=O,,WXUAQHNMJWJLTG-UHFFFAOYSA-N
BMGC_DG00487,BMG_DG004670,CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)N)N,,"InChI=1S/C49H70N14O11/c1-26(2)39(61-42(67)33(12-8-18-55-49(52)53)57-41(66)32(50)23-38(51)65)45(70)58-34(20-29-14-16-31(64)17-15-29)43(68)62-40(27(3)4)46(71)59-35(22-30-24-54-25-56-30)47(72)63-19-9-13-37(63)44(69)60-36(48(73)74)21-28-10-6-5-7-11-28/h5-7,10-11,14-17,24-27,32-37,39-40,64H,8-9,12-13,18-23,50H2,1-4H3,(H2,51,65)(H,54,56)(H,57,66)(H,58,70)(H,59,71)(H,60,69)(H,61,67)(H,62,68)(H,73,74)(H4,52,53,55)/t32-,33-,34-,35-,36-,37-,39-,40-/m0/s1",JYPVVOOBQVVUQV-CGHBYZBKSA-N
BMGC_DG00488,BMG_DG004688,C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[Al+3].[Al+3],[O-]C([O-])=O.[Al+3].[O-]C([O-])=O.[O-]C([O-])=O.[Al+3],"InChI=1S/3CH2O3.2Al/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",PPQREHKVAOVYBT-UHFFFAOYSA-H
BMGC_DG00489,BMG_DG004690,,s1c(nnc1S(=O)(N)=O)NC(CC)=O,,PCBBBQKRWNGNDW-UHFFFAOYSA-N
BMGC_DG00490,BMG_DG004706,,c1(cc(cc(c1)C)C)C(O)=O,,UMVOQQDNEYOJOK-UHFFFAOYSA-N
BMGC_DG00491,BMG_DG004712,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O)O,OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12+/m1/s1",DLRVVLDZNNYCBX-BTLHAWITSA-N
BMGC_DG00492,BMG_DG004715,,[C@]12(C(=CC(CC1)=O)[C@H](C[C@]3([C@@]4(CC[C@@H]([C@]4(CC[C@]23[H])C)O)[H])[H])F)C,,GGQPTOITOZXLBE-QXROXWLYSA-N
BMGC_DG00493,BMG_DG004724,COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3)OC)O)O,,"InChI=1S/C19H17NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,7-10H,5-6H2,1-2H3,(H-,21,22)/p+1",BENXORZPKXUGMY-UHFFFAOYSA-O
BMGC_DG00494,BMG_DG004730,CCCN1C(=O)C2=C(N=C3N2C=CC=C3)N(C1=O)CC4=CC=CC=C4,,"InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3",LDLBAAURBBVHGB-UHFFFAOYSA-N
BMGC_DG00495,BMG_DG004731,,C=1(N[C@@H](CCN1)CN2CCN(CC2)c3ccccc3)c4ccccc4,,BJWYIHWMKMZYRS-IBGZPJMESA-N
BMGC_DG00496,BMG_DG004732,COC1=CC2=C(C=C1)C(=CN2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC,C(=O)(c1c2c([nH]c1)cc(cc2)OC)c3cc(OC)c(c(c3)OC)OC,"InChI=1S/C19H19NO5/c1-22-12-5-6-13-14(10-20-15(13)9-12)18(21)11-7-16(23-2)19(25-4)17(8-11)24-3/h5-10,20H,1-4H3",UZJVBXKFBQNDTQ-UHFFFAOYSA-N
BMGC_DG00497,BMG_DG004738,,c1(c(n(CCCCC)c2c1cccc2)C)C(c3c4c(ccc3)cccc4)=O,,IBBNKINXTRKICJ-UHFFFAOYSA-N
BMGC_DG00498,BMG_DG004742,,,,
BMGC_DG00499,BMG_DG004744,,C([C@]12c3[nH]c4ccc(OC)cc4c3CC[N@]5C[C@H](C[C@H](CC)[C@]51[H])C2)(=O)OC,,MMAYTCMMKJYIAM-PHKAQXKASA-N
BMGC_DG00500,BMG_DG004752,CC1=C(C=C(C=C1)C(C)C)O,c1c(c(C)ccc1C(C)C)O,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",RECUKUPTGUEGMW-UHFFFAOYSA-N
BMGC_DG00501,BMG_DG004755,,,,
BMGC_DG00502,BMG_DG004758,,,,
BMGC_DG00503,BMG_DG004760,,c1(cc(ncc1)C(O)=O)C(O)=O,,MJIVRKPEXXHNJT-UHFFFAOYSA-N
BMGC_DG00504,BMG_DG004766,,c1(cc(cnc1)C(O)=O)C(O)=O,,MPFLRYZEEAQMLQ-UHFFFAOYSA-N
BMGC_DG00505,BMG_DG004767,CC1(COC1)COC2=CC3=C(C=C2)N(C=N3)C4=NC5=C(C=CC=C5N6CCC(CC6)N)C=C4,NC1CCN(c2c3nc(-n4c5ccc(OCC6(C)COC6)cc5nc4)ccc3ccc2)CC1,"InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3",DYNHJHQFHQTFTP-UHFFFAOYSA-N
BMGC_DG00506,BMG_DG004768,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)CNC5=O)O)O)O,,"InChI=1S/C26H23N3O5/c1-11-22(30)23(31)24(32)26(34-11)29-16-9-5-3-7-13(16)18-19-14(10-27-25(19)33)17-12-6-2-4-8-15(12)28-20(17)21(18)29/h2-9,11,22-24,26,28,30-32H,10H2,1H3,(H,27,33)/t11-,22-,23+,24+,26+/m0/s1",FYQXRIMLEOPQQP-DDWDLLSFSA-N
BMGC_DG00507,BMG_DG004770,C1=CC(=NC(=C1)C(=O)O)C(=O)O,c1(nc(ccc1)C(O)=O)C(O)=O,"InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)",WJJMNDUMQPNECX-UHFFFAOYSA-N
BMGC_DG00508,BMG_DG004775,CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C,C(c1ccc(cc1)C)(=O)N(C(C(C)C)c2nc3c(c(n2Cc4ccccc4)=O)c(ns3)C)CCCN,"InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3",SMFXSYMLJDHGIE-UHFFFAOYSA-N
BMGC_DG00509,BMG_DG004779,,C(C=C)(C)(C)[C@]12[C@](N3[C@@](C1)(C(=O)N4[C@](C3=O)(C[C@]5(C(C=C)(C)C)[C@]4(Nc6c5cccc6)[H])[H])[H])(Nc7c2cccc7)[H],,VKEAHNPKYMHYJJ-CBYNOBLXSA-N
BMGC_DG00510,BMG_DG004787,CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@@H](C(C)C)N,N(c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](CCCCN)NC([C@H](CC(C)C)NC(=O)[C@H](N)C(C)C)=O,"InChI=1S/C23H38N6O5/c1-14(2)13-19(28-23(32)20(25)15(3)4)22(31)27-18(7-5-6-12-24)21(30)26-16-8-10-17(11-9-16)29(33)34/h8-11,14-15,18-20H,5-7,12-13,24-25H2,1-4H3,(H,26,30)(H,27,31)(H,28,32)/t18-,19-,20+/m0/s1",CAJXYXPLLJDEOB-SLFFLAALSA-N
BMGC_DG00511,BMG_DG004803,COC1=CC(=C(C=C1CNC[C@@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O)Cl)NC(=O)CCN4CCC(CC4)OC(=O)NC5=CC=CC=C5C6=CC=CC=C6,C(Nc1c(cccc1)-c2ccccc2)(=O)OC3CCN(CC3)CCC(=O)Nc4c(cc(c(c4)OC)CNC[C@@H](c5c6ccc([nH]c6c(cc5)O)=O)O)Cl,"InChI=1S/C40H42ClN5O7/c1-52-36-22-33(31(41)21-26(36)23-42-24-35(48)29-11-13-34(47)39-30(29)12-14-37(49)45-39)43-38(50)17-20-46-18-15-27(16-19-46)53-40(51)44-32-10-6-5-9-28(32)25-7-3-2-4-8-25/h2-14,21-22,27,35,42,47-48H,15-20,23-24H2,1H3,(H,43,50)(H,44,51)(H,45,49)/t35-/m0/s1",URWYQGVSPQJGGB-DHUJRADRSA-N
BMGC_DG00512,BMG_DG004811,,c1(Nc2ccc(Cl)cc2)nc(ncn1)N,,YRZQHIVOIFJEEE-UHFFFAOYSA-N
BMGC_DG00513,BMG_DG004820,,NS(=O)(=O)c1ccc(CCO)cc1,,RYKHXKKLCRPAJP-UHFFFAOYSA-N
BMGC_DG00514,BMG_DG004824,CCCNC1CCC2=C(C1)C=CC=C2O,,"InChI=1S/C13H19NO/c1-2-8-14-11-6-7-12-10(9-11)4-3-5-13(12)15/h3-5,11,14-15H,2,6-9H2,1H3",VCYPZWCFSAHTQT-UHFFFAOYSA-N
BMGC_DG00515,BMG_DG004834,CCCCCC1=CC(=CC(=C1)O)O,c1(cc(cc(c1)O)O)CCCCC,"InChI=1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3",IRMPFYJSHJGOPE-UHFFFAOYSA-N
BMGC_DG00516,BMG_DG004842,,C(C(=O)Nc1ccccc1)(=O)O,,PQJZHMCWDKOPQG-UHFFFAOYSA-N
BMGC_DG00517,BMG_DG004858,,,,
BMGC_DG00518,BMG_DG004889,CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43,O=C(c1c2ccccc2ccc1)c3c4ccccc4n(CCCCC)c3,"InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3",JDNLPKCAXICMBW-UHFFFAOYSA-N
BMGC_DG00519,BMG_DG004904,,NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,,DTWPVNTYGDBHCV-UHFFFAOYSA-N
BMGC_DG00520,BMG_DG004919,,C([C@@H](NC(=O)c1c(cc(cc1)NCc2cnc[nH]2)-c3c(cccc3)C)CC(C)C)(=O)O,,GAJLKAVQYXFCRU-QFIPXVFZSA-N
BMGC_DG00521,BMG_DG004920,C1=CC=C2C(=C1)C(=O)N([Se]2)CCN3C(=O)C4=CC=CC=C4[Se]3,O=c1n(CCn2[se]c3ccccc3c2=O)[se]c4ccccc41,"InChI=1S/C16H12N2O2Se2/c19-15-11-5-1-3-7-13(11)21-17(15)9-10-18-16(20)12-6-2-4-8-14(12)22-18/h1-8H,9-10H2",SFFSGPCYJCMDJM-UHFFFAOYSA-N
BMGC_DG00522,BMG_DG004928,,OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n2cnc3c(NCC(c4ccccc4)c5ccccc5)ncnc32,,TUGMXIURLRAWSS-UMCMBGNQSA-N
BMGC_DG00523,BMG_DG004930,C[C@H](C(=O)N1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)C3CC3)NC(=O)C4=CC=CO4,o1c(ccc1)C(=O)N[C@@H](C(=O)N2CCN(CC2)CCCOc3ccc(cc3)C(=O)C4CC4)C,"InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1",RTRADBQSZJIRMT-GOSISDBHSA-N
BMGC_DG00524,BMG_DG004931,,,,
BMGC_DG00525,BMG_DG004934,,C(CCCNc1nc2cc(c(cc2nc1-c3oc4c(c3)cccc4)Cl)Cl)N(CC)CC,,XBPBJDFJAWKYCK-UHFFFAOYSA-N
BMGC_DG00526,BMG_DG004939,,c1(C#Cc2ccccc2)ccccc1,,JRXXLCKWQFKACW-UHFFFAOYSA-N
BMGC_DG00527,BMG_DG004940,CC(C)(C(=O)[O-])OC1=CC=C(C=C1)Cl.CC(C)(C(=O)[O-])OC1=CC=C(C=C1)Cl.[OH-].[Al+3],c1(ccc(OC(C)(C)C(=O)[O-])cc1)Cl.[OH-].[Al+3].c1(ccc(cc1)OC(C)(C)C(=O)[O-])Cl,"InChI=1S/2C10H11ClO3.Al.H2O/c2*1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;;/h2*3-6H,1-2H3,(H,12,13);;1H2/q;;+3;/p-3",USWVMPGQVYZHCA-UHFFFAOYSA-K
BMGC_DG00528,BMG_DG004947,C1=CC=C(C=C1)CNC(=O)CCCl,C(NCc1ccccc1)(CCCl)=O,"InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)",JPYQFYIEOUVJDU-UHFFFAOYSA-N
BMGC_DG00529,BMG_DG004951,,N1([C@@H]([C@H](C1=O)CCC2CNCCC2)C(=O)O)C(=O)N3CCN(CC3)C(CCCCCc4ccccc4)=O,,XVYFBYVSZOCXRJ-OMQKAAQBSA-N
BMGC_DG00530,BMG_DG004954,,C([C@@H]([C@@H](C(=O)NO)CCCc1ccccc1)CC(C)C)(=O)N[C@H](C(=O)NC)Cc2ccc(cc2)NC(=N)N,,QKOVHOITGZCHQW-VXNXHJTFSA-N
BMGC_DG00531,BMG_DG004958,,,,
BMGC_DG00532,BMG_DG004960,,COc1cc(ccc1)CN([C@@H]2CN([C@@H](C2)C(=O)N3CCNCC3)Cc4ccc5c(c4)OCO5)C(=O)CC(C)(C)C,,WPHXYKUPFJRJDK-AHWVRZQESA-N
BMGC_DG00533,BMG_DG004961,C1=CC(=CC=C1CCO)O,c1(ccc(O)cc1)CCO,"InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2",YCCILVSKPBXVIP-UHFFFAOYSA-N
BMGC_DG00534,BMG_DG004965,C1=CC(=CC=C1CCC(=O)O)O,c1(ccc(O)cc1)CCC(O)=O,"InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)",NMHMNPHRMNGLLB-UHFFFAOYSA-N
BMGC_DG00535,BMG_DG004994,,,,
BMGC_DG00536,BMG_DG004999,,NCC1c2ccccc2Cc3ccccc13,,GEICAQNIOJFRQN-UHFFFAOYSA-N
BMGC_DG00537,BMG_DG005007,,Nc1c2c(nc3cc(Cl)ccc13)CCCC2,,GQZMDBQRGRRPMS-UHFFFAOYSA-N
BMGC_DG00538,BMG_DG005011,CC(=O)C1=CC(=CC(=C1)O)O,c1(C(=O)C)cc(O)cc(c1)O,"InChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3",WQXWIKCZNIGMAP-UHFFFAOYSA-N
BMGC_DG00539,BMG_DG005020,,C(F)(F)(F)c1c(OC)cc(CC(C)N)c(OC)c1,,WPGOTSORDNBMHP-UHFFFAOYSA-N
BMGC_DG00540,BMG_DG005023,C1CCC(=O)OCC1,C1(CCCCCO1)=O,InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2,PAPBSGBWRJIAAV-UHFFFAOYSA-N
BMGC_DG00541,BMG_DG005029,,,,
BMGC_DG00542,BMG_DG005052,,,,
BMGC_DG00543,BMG_DG005055,C1CN(CCN1CC2=C3C=CC=CN3N=C2)C4=CC=C(C=C4)Cl,,"InChI=1S/C18H19ClN4/c19-16-4-6-17(7-5-16)22-11-9-21(10-12-22)14-15-13-20-23-8-2-1-3-18(15)23/h1-8,13H,9-12,14H2",XVPRVMIFXXOEFR-UHFFFAOYSA-N
BMGC_DG00544,BMG_DG005057,,c1(c(ccc(c1)C[C@@H]([C@@H](Cc2cc3c(cc2)OCO3)C)C)O)OC,,QDDILOVMGWUNGD-UONOGXRCSA-N
BMGC_DG00545,BMG_DG005060,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)O,[S+]([O-])(Cc1ncc(c(OC)c1C)C)c2[nH]c3c(n2)cc(cc3)O,"InChI=1S/C16H17N3O3S/c1-9-7-17-14(10(2)15(9)22-3)8-23(21)16-18-12-5-4-11(20)6-13(12)19-16/h4-7,20H,8H2,1-3H3,(H,18,19)",TWXDTVZNDQKCOS-UHFFFAOYSA-N
BMGC_DG00546,BMG_DG005064,,COc1c(cc(cc1)CCCF)C(=O)NC[C@@H]2CCCN2CC=C,,VPBJNBUDASILSQ-INIZCTEOSA-N
BMGC_DG00547,BMG_DG005070,CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)C,,"InChI=1S/C19H18O6/c1-9(2)4-5-11-16-15(8-13(22)19(11)24-3)25-14-7-10(20)6-12(21)17(14)18(16)23/h4,6-8,20-22H,5H2,1-3H3",JZLXKPGAABLTJE-UHFFFAOYSA-N
BMGC_DG00548,BMG_DG005082,CN1CCC(C1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4)O)O,,"InChI=1S/C21H21NO5/c1-22-8-7-13(14(22)11-23)19-15(24)9-16(25)20-17(26)10-18(27-21(19)20)12-5-3-2-4-6-12/h2-6,9-10,13-14,23-25H,7-8,11H2,1H3",HRTOUPQLDWWXIX-UHFFFAOYSA-N
BMGC_DG00549,BMG_DG005087,,c1(ccc(cc1)Nc2nc(nc(c2)-c3c(ccc(c3)Cl)OCC)N)CO,,JLWLMNIZKVKADB-UHFFFAOYSA-N
BMGC_DG00550,BMG_DG005088,,c1cc2c(ccc3c2c(c1)C(=O)OC3=O)S(=O)(=O)O,,HOMQUHGCYPKWEY-UHFFFAOYSA-N
BMGC_DG00551,BMG_DG005095,,CC(=CCc1cc2c(cc1O)OC[C@H]3c4ccc(c(CC=C(C)C)c4O[C@@H]23)O)C,,LDKAMVCGTURXMH-CPJSRVTESA-N
BMGC_DG00552,BMG_DG005098,,C([C@@H](NCc1ccncc1)C(C)(C)C)(=O)N2Cc3c(cc(OC)c(OC)c3)CC2,,COFVZFLCAOUMJT-OAQYLSRUSA-N
BMGC_DG00553,BMG_DG005103,CCCNC(=O)C1=CN2C(=C1C)C(=NC=N2)NC3=C(C=CC(=C3)C(=O)NC4CC4)C,n1n2c(c(c(c2)C(NCCC)=O)C)c(nc1)Nc3cc(ccc3C)C(=O)NC4CC4,"InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27)",GDTQLZHHDRRBEB-UHFFFAOYSA-N
BMGC_DG00554,BMG_DG005104,,C(/C(=C/Cc1c(c(ccc1O)C(/C=C/c2ccc(cc2)O)=O)O)/C)CC(C(C)=C)O,,NCHZAFAGBAEJJJ-BAYITLGHSA-N
BMGC_DG00555,BMG_DG005110,,C[C@@]12[C@@]3([C@@]4(N(c5c3cccc5)C(CN4)=O)[H])C[C@@](n6c1nc7c(c6=O)cccc7)(C(N2)=O)[H],,SIIMITFGYHVBGG-FGSBKAERSA-N
BMGC_DG00556,BMG_DG005131,,,,
BMGC_DG00557,BMG_DG005139,C(CC(=O)O)CO,C(=O)(O)CCCO,"InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)",SJZRECIVHVDYJC-UHFFFAOYSA-N
BMGC_DG00558,BMG_DG005151,C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O,,"InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36H",IQAMTZLKUHMPPE-UHFFFAOYSA-N
BMGC_DG00559,BMG_DG005157,CC(C)C[C@H](C(=O)O)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](CC2=CC=C(C=C2)O)N,,"InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m1/s1",URLZCHNOLZSCCA-DNVJHFABSA-N
BMGC_DG00560,BMG_DG005169,,Oc1c(CC(C)C)cccc1CC(C)C,,JRPBSTGRRSTANR-UHFFFAOYSA-N
BMGC_DG00561,BMG_DG005175,,O=C1N2[C@@]3([C@](C[C@]24C(=O)N(C)[C@@]1(CO)SS4)(c5c(N3)cccc5)n6c7c(c(C[C@]89C(=O)N(C)[C@](CO)(C(=O)N8C)SS9)c6)cccc7)[H],,ZRZWBWPDBOVIGQ-YWZWRZHGSA-N
BMGC_DG00562,BMG_DG005176,,n1c(n(CC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CCN(CC)CC)=O)cc(c1=O)Cc4cn(C)nc4)SCc5ccc(cc5)F,,VGIQUSQBXZXBGW-UHFFFAOYSA-N
BMGC_DG00563,BMG_DG005216,,O=c1c2c(oc3c1-c4c(C3=O)cccc4)cccc2,,CXXCRLLJRGEAJV-UHFFFAOYSA-N
BMGC_DG00564,BMG_DG005219,C1=CC(=CC(=C1)C(F)(F)F)CCN,C(c1cc(CCN)ccc1)(F)(F)F,"InChI=1S/C9H10F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4-5,13H2",BPVYCXMGJPKOTQ-UHFFFAOYSA-N
BMGC_DG00565,BMG_DG005223,,CC(C)c1cc(Br)cc(C(C)C)c1O,,QNJVELOLCDKQBN-UHFFFAOYSA-N
BMGC_DG00566,BMG_DG005241,C[C@]12CC[C@]3([C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@@]43C)O,O[C@@]12[C@]([C@]3([C@](C)(CC1)C(=O)CC3)[H])(CCC=4[C@]2(C)CCC(=O)C4)[H],"InChI=1S/C19H26O3/c1-17-9-10-19(22)15(14(17)5-6-16(17)21)4-3-12-11-13(20)7-8-18(12,19)2/h11,14-15,22H,3-10H2,1-2H3/t14-,15-,17-,18-,19+/m0/s1",SNMVJSSWZSJOGL-PLOWYNNNSA-N
BMGC_DG00567,BMG_DG005243,,[nH]1c2c(c(O)ccc2)c3c1cccc3,,UEOHATPGKDSULR-UHFFFAOYSA-N
BMGC_DG00568,BMG_DG005246,,N1(CCC(CC1)c2ccccn2)CC(=O)Nc3cc(ccc3)C,,JFCDMGGMCUKHST-UHFFFAOYSA-N
BMGC_DG00569,BMG_DG005248,CC(=O)OCC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O,,"InChI=1S/C17H12O6/c1-8(18)23-7-9-5-11-15(13(20)6-9)17(22)14-10(16(11)21)3-2-4-12(14)19/h2-6,19-20H,7H2,1H3",FUECAILUKAJTBR-UHFFFAOYSA-N
BMGC_DG00570,BMG_DG005254,C1CCC(C1)C2=NC3=C(N2)C(=NC4=CC=CC=C43)NC5=CC=CC=C5,n1c(c2c(c3ccccc13)[nH]c(n2)C4CCCC4)Nc5ccccc5,"InChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25)",VUYDJBYOJKYWBY-UHFFFAOYSA-N
BMGC_DG00571,BMG_DG005257,,C(CCCCCCc1ccccc1)(=O)c2oc(cn2)-c3ccccn3,,ILOIOIGZFHGSMS-UHFFFAOYSA-N
BMGC_DG00572,BMG_DG005267,C1=CC(=CC(=C1)O)C2=NC3=C(N=C(N=C3N=C2C4=CC(=CC=C4)O)N)N,c1(cc(ccc1)-c2c(nc3c(nc(nc3n2)N)N)-c4cc(ccc4)O)O,"InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)",UJIAQDJKSXQLIT-UHFFFAOYSA-N
BMGC_DG00573,BMG_DG005280,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)/C=C/C3=CC(=C(C=C3)O)O,,"InChI=1S/C20H18N2O5/c23-17-7-5-12(9-18(17)24)6-8-19(25)22-16(20(26)27)10-13-11-21-15-4-2-1-3-14(13)15/h1-9,11,16,21,23-24H,10H2,(H,22,25)(H,26,27)/b8-6+",XITPERBRJNUFSB-SOFGYWHQSA-N
BMGC_DG00574,BMG_DG005286,,c12oc3cc(O)cc(O)c3oc2cc(O)c4oc5cc(cc(c5oc14)O)O,,LBHQACSAGWCMAB-UHFFFAOYSA-N
BMGC_DG00575,BMG_DG005290,CCC1=CN=C(C=C1)C(=O)COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3,CCc1cnc(C(=O)COc2ccc(CC3SC(=O)NC3=O)cc2)cc1,"InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)",IRNJSRAGRIZIHD-UHFFFAOYSA-N
BMGC_DG00576,BMG_DG005296,CC1=CN2C(=C(C=C(C2=N1)C(=O)NCC3CCN(CC3)CC(C)C)Cl)N,c12c(cc(c(n1cc(n2)C)N)Cl)C(=O)NCC3CCN(CC3)CC(C)C,"InChI=1S/C19H28ClN5O/c1-12(2)10-24-6-4-14(5-7-24)9-22-19(26)15-8-16(20)17(21)25-11-13(3)23-18(15)25/h8,11-12,14H,4-7,9-10,21H2,1-3H3,(H,22,26)",ISKHMDNIWXPUGR-UHFFFAOYSA-N
BMGC_DG00577,BMG_DG005299,CC(C)CC(=O)O,CC(CC(O)=O)C,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",GWYFCOCPABKNJV-UHFFFAOYSA-N
BMGC_DG00578,BMG_DG005301,C[C@H](C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O)C(=O)O,c1c(ccc(c1)-c2ccccc2)C[C@@H](NC(CCC(=O)O)=O)C[C@@H](C)C(=O)O,"InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19+/m1/s1",DOBNVUFHFMVMDB-BEFAXECRSA-N
BMGC_DG00579,BMG_DG005305,C1CCN(CC1)CCOC2=CC=CC(=C2)C3=NNC4=C3C=C(C=C4)C5=NC=NN5,n1c(nc[nH]1)-c2ccc3c(c(-c4cc(ccc4)OCCN5CCCCC5)n[nH]3)c2,"InChI=1S/C22H24N6O/c1-2-9-28(10-3-1)11-12-29-18-6-4-5-16(13-18)21-19-14-17(22-23-15-24-27-22)7-8-20(19)25-26-21/h4-8,13-15H,1-3,9-12H2,(H,25,26)(H,23,24,27)",XDJCLCLBSGGNKS-UHFFFAOYSA-N
BMGC_DG00580,BMG_DG005306,C1CN(CCN1)C2=CC3=C(NN=C3C=C2)S(=O)(=O)C4=CC=CC5=CC=CC=C54,c12c(cccc1)c(ccc2)S(=O)(=O)c3n[nH]c4c3cc(cc4)N5CCNCC5,"InChI=1S/C21H20N4O2S/c26-28(27,20-7-3-5-15-4-1-2-6-17(15)20)21-18-14-16(8-9-19(18)23-24-21)25-12-10-22-11-13-25/h1-9,14,22H,10-13H2,(H,23,24)",FYOVZCDHYOEKDE-UHFFFAOYSA-N
BMGC_DG00581,BMG_DG005308,,c1(ccc(c(c1)N(Cc2c(OC)ccc(c2)OC)C(C)=O)Oc3ccccc3)F,,DCRZYADKQRHHSF-UHFFFAOYSA-N
BMGC_DG00582,BMG_DG005310,C1=CC=C(C=C1)CCCNCCSC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F,,"InChI=1S/C24H25F2NS/c25-22-12-8-20(9-13-22)24(21-10-14-23(26)15-11-21)28-18-17-27-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24,27H,4,7,16-18H2",IWZNOFWARONDLD-UHFFFAOYSA-N
BMGC_DG00583,BMG_DG005322,,C(\[C@@]12[C@@]3([C@H]4O[C@H]4[C@H](O)[C@@]2([H])[C@]5([H])[C@@H](O)[C@@H]6O[C@@H]6C(=O)C5=C[C@]1([H])C(C)(C)O3)O)=C/C(O)(C)C,,WQBRQZUREPTGLI-ODDMXWQNSA-N
BMGC_DG00584,BMG_DG005325,CS(=O)(=O)C1=C(C=C(C=C1)[C@@H](C[C@H]2CCC(=O)C2)C(=O)NC3=NC=CN=C3)Cl,[C@@]1(CC(CC1)=O)(C[C@@H](C(Nc2nccnc2)=O)c3cc(c(cc3)S(=O)(=O)C)Cl)[H],"InChI=1S/C19H20ClN3O4S/c1-28(26,27)17-5-3-13(10-16(17)20)15(9-12-2-4-14(24)8-12)19(25)23-18-11-21-6-7-22-18/h3,5-7,10-12,15H,2,4,8-9H2,1H3,(H,22,23,25)/t12-,15+/m0/s1",XEANIURBPHCHMG-SWLSCSKDSA-N
BMGC_DG00585,BMG_DG005326,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O)F,O=c1n([C@H]2[C@H](O)[C@H](O)[C@@H](COP(=O)(OP(=O)(O)O)O)O2)cc(F)c([nH]1)=O,"InChI=1S/C9H13FN2O12P2/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(23-8)2-22-26(20,21)24-25(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1",FOZCNVFQOJRHFF-UAKXSSHOSA-N
BMGC_DG00586,BMG_DG005331,CC1=C(C2=C3N1[C@H](COC3=CC=C2)CN4CCOCC4)C(=O)C5=CC=CC6=CC=CC=C65,,"InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m0/s1",HQVHOQAKMCMIIM-FQEVSTJZSA-N
BMGC_DG00587,BMG_DG005336,,N1(C[C@@H](CCC1)c2cc(ccc2)OC(C)(C)C(=O)O)C(=O)OCc3ccc(cc3)C(C)C,,CSLFIHDRJSTULR-JOCHJYFZSA-N
BMGC_DG00588,BMG_DG005340,CCN1CCC(CC1)NC2=CC\3=C(C=C2)NC(=O)/C3=C(/C4=CC(=CC=C4)F)\C5=NC=C(N5)C,N1C(/C(/c2cc(ccc12)NC3CCN(CC3)CC)=C(\c4nc(c[nH]4)C)/c5cc(ccc5)F)=O,"InChI=1S/C26H28FN5O/c1-3-32-11-9-19(10-12-32)30-20-7-8-22-21(14-20)24(26(33)31-22)23(25-28-15-16(2)29-25)17-5-4-6-18(27)13-17/h4-8,13-15,19,30H,3,9-12H2,1-2H3,(H,28,29)(H,31,33)/b24-23-",DMQYDVBIPXAAJA-VHXPQNKSSA-N
BMGC_DG00589,BMG_DG005342,C1CC(=O)CC(=O)C1,C1C(CCCC1=O)=O,InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2,HJSLFCCWAKVHIW-UHFFFAOYSA-N
BMGC_DG00590,BMG_DG005358,,n1c(nc2c(c1N)N=C(C(O2)(C)C)c3ccc4c(c3)CC[C@@]45CC[C@@H](CC5)CC(O)=O)C(F)(F)F,,YFJNLPDVCDNOMJ-OJPDTXNBSA-N
BMGC_DG00591,BMG_DG005359,,n1n(c-2c(c1C(=O)NN3CCCCC3)CCCc4c2ccc(c4)Cl)-c5c(cc(cc5)Cl)Cl,,NCXBPZJQQSNIRA-UHFFFAOYSA-N
BMGC_DG00592,BMG_DG005361,CC1=CC(=CC(=C1)O)O,c1(cc(cc(c1)O)O)C,"InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3",OIPPWFOQEKKFEE-UHFFFAOYSA-N
BMGC_DG00593,BMG_DG005368,CC1=C2C(=NC=NN2C=C1NC(=O)OC[C@@H]3COCCN3)NC4=CC5=C(C=C4)N(N=C5)CC6=CC(=CC=C6)F,C(Nc1c(c2c(ncnn2c1)Nc3cc4cnn(c4cc3)Cc5cc(ccc5)F)C)(=O)OC[C@H]6NCCOC6,"InChI=1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1",LUJZZYWHBDHDQX-QFIPXVFZSA-N
BMGC_DG00594,BMG_DG005373,,N(S(=O)(=O)c1ccc(cc1)I)c2ccc(cc2)CCNC[C@@H](COc3cccnc3)O,,JKCIKWIXDFDPQX-FQEVSTJZSA-N
BMGC_DG00595,BMG_DG005382,C1=CC=NC(=C1)N,c1ccnc(c1)N,"InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)",ICSNLGPSRYBMBD-UHFFFAOYSA-N
BMGC_DG00596,BMG_DG005383,,C(C(C(NC([C@]1(N(C([C@@H](NC(c2ccc(C(N3CCOCC3)=O)cc2)=O)C(C)C)=O)CCC1)[H])=O)C(C)C)=O)(C(F)(F)F)(F)F,,XQAMVCHQGHAELT-NHNZYLEHSA-N
BMGC_DG00597,BMG_DG005396,,C1CCCCN1C(=O)C(=O)OCC,,ASBDXHCMVYVJQQ-UHFFFAOYSA-N
BMGC_DG00598,BMG_DG005407,C(CO)CO,OCCCO,"InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2",YPFDHNVEDLHUCE-UHFFFAOYSA-N
BMGC_DG00599,BMG_DG005411,,c1ccc(OCC2=NCCN2)cc1,,GRMJZZBFHKTYDJ-UHFFFAOYSA-N
BMGC_DG00600,BMG_DG005412,C1CC(=O)C2=C(C1O)C=CC=C2O,OC1CCC(=O)c2c(cccc21)O,"InChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,7,11-12H,4-5H2",ZXYYTDCENDYKBR-UHFFFAOYSA-N
BMGC_DG00601,BMG_DG005429,C1CSCN1,C1CSCN1,"InChI=1S/C3H7NS/c1-2-5-3-4-1/h4H,1-3H2",OGYGFUAIIOPWQD-UHFFFAOYSA-N
BMGC_DG00602,BMG_DG005437,,c1([nH]nc(c2ccccc12)Cc3ccc(cc3)Cl)=O,,NLXGCQIEVZYDRS-UHFFFAOYSA-N
BMGC_DG00603,BMG_DG005443,CCOC1=CN=CC(=C1CN)OCC,,"InChI=1S/C10H16N2O2/c1-3-13-9-6-12-7-10(14-4-2)8(9)5-11/h6-7H,3-5,11H2,1-2H3",DBPIEYLNXRQNRY-UHFFFAOYSA-N
BMGC_DG00604,BMG_DG005446,,c12c(OC)cccc2C(=O)C3=C(C1=O)[C@@H](C)O[C@H](C)C3,,IAJIIJBMBCZPSW-RKDXNWHRSA-N
BMGC_DG00605,BMG_DG005451,,C(=O)(N1CCN(CC1)C)c2nc3c([nH]2)cc(cc3)Cl,,MOIWSUQWIOVGRH-UHFFFAOYSA-N
BMGC_DG00606,BMG_DG005452,,c1cc(c(CN(C)C)cc1)Sc2c(cc(cc2)C#N)N,,UVWLEPXXYOYDGR-UHFFFAOYSA-N
BMGC_DG00607,BMG_DG005468,COC1=CC(=CC(=C1OC)OC)C(=O)C2=CNC3=C2C=CC(=C3)O,,"InChI=1S/C18H17NO5/c1-22-15-6-10(7-16(23-2)18(15)24-3)17(21)13-9-19-14-8-11(20)4-5-12(13)14/h4-9,19-20H,1-3H3",FWYFKYJHENUGSZ-UHFFFAOYSA-N
BMGC_DG00608,BMG_DG005474,C(CCN)CN,C(CCN)CN,InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2,KIDHWZJUCRJVML-UHFFFAOYSA-N
BMGC_DG00609,BMG_DG005478,,,,
BMGC_DG00610,BMG_DG005482,C1[C@H](COC2=C1C=C(C=C2F)F)N3C(=CNC3=S)CCN,c1c(cc2c(c1F)OC[C@H](n3c(c[nH]c3=S)CCN)C2)F,"InChI=1S/C14H15F2N3OS/c15-9-3-8-4-11(7-20-13(8)12(16)5-9)19-10(1-2-17)6-18-14(19)21/h3,5-6,11H,1-2,4,7,17H2,(H,18,21)/t11-/m1/s1",CWWWTTYMUOYSQA-LLVKDONJSA-N
BMGC_DG00611,BMG_DG005483,,,,
BMGC_DG00612,BMG_DG005485,CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)CCC2=CC=C(C=C2)O)O)C,,"InChI=1S/C21H24O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-6,8-9,12,22,24-25H,7,10-11H2,1-3H3",SVTCZHIDEDUTBH-UHFFFAOYSA-N
BMGC_DG00613,BMG_DG005492,,C(c1c(O)cc(C)c(C=O)c1O)/C=C(\C)/CC[C@]2([C@H](C)CCC(=O)[C@@H]2C)C,,JSPPDMSCDGJJOM-YDMRWXCBSA-N
BMGC_DG00614,BMG_DG005493,CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3S2,,"InChI=1S/C19H20N2O2S2/c1-3-21(4-2)25(22,23)16-12-9-15(10-13-16)11-14-19-20-17-7-5-6-8-18(17)24-19/h5-14H,3-4H2,1-2H3/b14-11+",IYTCMWSUAKFEFW-SDNWHVSQSA-N
BMGC_DG00615,BMG_DG005513,C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)F,[C@@H]1(O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c2ccc(c(c2)Cc3sc4c(c3)cccc4)F)CO,"InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1",AHFWIQIYAXSLBA-RQXATKFSSA-N
BMGC_DG00616,BMG_DG005516,,c1(nc(c(cn1)C(=O)NCc2ccncc2)C(F)(F)F)Nc3cc(ccc3)Cl,,HLCPJLIYGNWTAI-UHFFFAOYSA-N
BMGC_DG00617,BMG_DG005531,,[C@H](Cc1ccccc1)(C(N[C@@H](Cc2ccc(O)cc2)C=O)=O)NC(OCc3ccccc3)=O,,QVDJMLQSYRSZKC-UPVQGACJSA-N
BMGC_DG00618,BMG_DG005537,,,,
BMGC_DG00619,BMG_DG005543,C1COCCC1CCNCC2=CC(=C(C=C2)OC3=NC=C(C=C3)C(=O)N)F,c1(cc(F)c(Oc2ccc(C(N)=O)cn2)cc1)CNCCC3CCOCC3,"InChI=1S/C20H24FN3O3/c21-17-11-15(12-23-8-5-14-6-9-26-10-7-14)1-3-18(17)27-19-4-2-16(13-24-19)20(22)25/h1-4,11,13-14,23H,5-10,12H2,(H2,22,25)",QWNDOCKIKKQJNN-UHFFFAOYSA-N
BMGC_DG00620,BMG_DG005547,,,,
BMGC_DG00621,BMG_DG005552,CN1C[C@H]2CC(C[C@H]2C1)COC3=C(C=C4C(=C3)N=CN=C4NC5=C(C(=C(C=C5)Cl)Cl)F)OC,Fc1c(Cl)c(Cl)ccc1Nc2c3c(cc(OC[C@@H]4C[C@]5([C@]([H])(CN(C)C5)C4)[H])c(OC)c3)ncn2,"InChI=1S/C24H25Cl2FN4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13?,14-,15+",HVXKQKFEHMGHSL-QKDCVEJESA-N;HVXKQKFEHMGHSL-GOOCMWNKSA-N
BMGC_DG00622,BMG_DG005555,CCOC1=C(C(=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)N4CCOCC4)OC)C(C)(C)C)F)OCC,C(CN1C(c2c(c(c(cc2C1)OCC)OCC)F)=N)(c3cc(c(c(c3)N4CCOCC4)OC)C(C)(C)C)=O,"InChI=1S/C29H38FN3O5/c1-7-37-23-15-19-16-33(28(31)24(19)25(30)27(23)38-8-2)17-22(34)18-13-20(29(3,4)5)26(35-6)21(14-18)32-9-11-36-12-10-32/h13-15,31H,7-12,16-17H2,1-6H3",QWKAUGRRIXBIPO-UHFFFAOYSA-N
BMGC_DG00623,BMG_DG005560,C1=CN=C(C=N1)C(=O)N,c1(C(=O)N)nccnc1,"InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)",IPEHBUMCGVEMRF-UHFFFAOYSA-N
BMGC_DG00624,BMG_DG005563,CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCCNC(=O)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)C,,"InChI=1S/C28H39N5O7/c1-16(2)12-23(31-19(5)35)27(38)30-15-25(36)33-22(8-6-7-11-29-18(4)34)28(39)32-20-9-10-21-17(3)13-26(37)40-24(21)14-20/h9-10,13-14,16,22-23H,6-8,11-12,15H2,1-5H3,(H,29,34)(H,30,38)(H,31,35)(H,32,39)(H,33,36)/t22-,23-/m0/s1",YLJRILGAXBHXDZ-GOTSBHOMSA-N
BMGC_DG00625,BMG_DG005576,,[C@@H]1([C@@H](O[C@H]([C@@H]([C@H]1O)O)C)OC[C@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)Oc3cc(c4c(c3)oc(cc4=O)-c5cc(c(cc5)O)O)O)O,,MGYBYJXAXUBTQF-FOBVWLSUSA-N
BMGC_DG00626,BMG_DG005581,CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C(C)C)NC3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)OC)C,C(C)(C)N1c2c(cnc(n2)Nc3c(OC)cc(C(N[C@@H]4CC[C@@H](N5CCN(CC6CC6)CC5)CC4)=O)cc3)N(C)C(=O)[C@H]1CC,"InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25?,26?,28-/m1/s1",SXNJFOWDRLKDSF-XKHVUIRMSA-N;SXNJFOWDRLKDSF-STROYTFGSA-N
BMGC_DG00627,BMG_DG005583,,N1C(/C(/c2cc(ccc12)S(=O)(=O)Cc3c(cccc3Cl)Cl)=C\c4[nH]c(c(c4C)C(=O)N5[C@H](CCC5)CN6CCCC6)C)=O,,OYONTEXKYJZFHA-SSHUPFPWSA-N
BMGC_DG00628,BMG_DG005589,,N[C@H](C(O)=O)CC(C(O)=O)C(=O)O,,UHBYWPGGCSDKFX-VKHMYHEASA-N
BMGC_DG00629,BMG_DG005610,C(CC(=O)[O-])C(=O)[O-].[Fe+2],O=C(CCC(=O)[O-])[O-].[Fe+2],"InChI=1S/C4H6O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2",MDXRFOWKIZPNTA-UHFFFAOYSA-L
BMGC_DG00630,BMG_DG005613,CCCCCCCCCCCCCCCCC(=O)O,C(CCCCCCCCCCCCCCCC)(=O)O,"InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)",KEMQGTRYUADPNZ-UHFFFAOYSA-N
BMGC_DG00631,BMG_DG005634,COC1=CC(=CC(=C1)O)CCC2=CC(=CC=C2)O,COc1cc(CCc2cccc(c2)O)cc(c1)O,"InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3",VYQXIUVIYICVCM-UHFFFAOYSA-N
BMGC_DG00632,BMG_DG005635,CCCCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",VKOBVWXKNCXXDE-UHFFFAOYSA-N
BMGC_DG00633,BMG_DG005641,,c1ncc([nH]1)CC2=C(c3ccc(cc3CC2)OC)C,,GEXYIIUWEYUZRJ-UHFFFAOYSA-N
BMGC_DG00634,BMG_DG005649,,C(P(=O)(O)O)(P(=O)(O)O)Cc1cccnc1,,KZMOFWIRXNQJET-UHFFFAOYSA-N
BMGC_DG00635,BMG_DG005665,CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O,,"InChI=1S/C18H16O4/c1-11(2)22-14-7-8-15-17(9-14)21-10-16(18(15)20)12-3-5-13(19)6-4-12/h3-11,19H,1-2H3",DEQMUPGWSXUDKV-UHFFFAOYSA-N
BMGC_DG00636,BMG_DG005667,C1=CN=C(C=N1)C(=O)O,c1ncc(C(=O)O)nc1,"InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)",NIPZZXUFJPQHNH-UHFFFAOYSA-N
BMGC_DG00637,BMG_DG005670,,n1cccc2ccc(c(c12)O)C(=O)NCc3ccc(cc3)Cl,,ACLPOFUIYHXBHE-UHFFFAOYSA-N
BMGC_DG00638,BMG_DG005678,,C1(CC1)(C(=O)O)c2cc(c(cc2)-c3ccc(cc3)C(F)(F)F)F,,STSYUQWYKFKDNG-UHFFFAOYSA-N
BMGC_DG00639,BMG_DG005682,CCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43,O=C(c1c2ccccc2ccc1)c3c4ccccc4n(CCCC)c3,"InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3",VCHHHSMPMLNVGS-UHFFFAOYSA-N
BMGC_DG00640,BMG_DG005695,CC(C)(CCCCCC(CCCCCC(C)(C)C(=O)O)O)C(=O)O,OC(=O)C(C)(C)CCCCCC(O)CCCCCC(C)(C)C(O)=O,"InChI=1S/C19H36O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h15,20H,5-14H2,1-4H3,(H,21,22)(H,23,24)",HYHMLYSLQUKXKP-UHFFFAOYSA-N
BMGC_DG00641,BMG_DG005696,[Al+3],[Al+3],InChI=1S/Al/q+3,REDXJYDRNCIFBQ-UHFFFAOYSA-N
BMGC_DG00642,BMG_DG005704,CC[C@H](/C=C/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O)O,C(CCC[C@@H](/C=C\C=C\C=C\[C@@H](C/C=C\C=C\[C@@H](CC)O)O)O)(=O)O,"InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18+,19-/m1/s1",AOPOCGPBAIARAV-OTBJXLELSA-N
BMGC_DG00643,BMG_DG005707,,c1(cnc(cn1)Oc2cc3c(CCN(CC3)C4CCC4)cc2)C(=O)NC,,DGWKVXVCPCPOAK-UHFFFAOYSA-N
BMGC_DG00644,BMG_DG005708,,O=C(Nc1cccc2cnccc12)NC(c3ccccc3)c4ccccc4,,ZBZSZXCYOYRLKL-UHFFFAOYSA-N
BMGC_DG00645,BMG_DG005719,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F,[C@]12([C@](CC[C@]3([C@]1([C@@H](Cc4c3ccc(c4)O)CCCCCCCCC[S+]([O-])CCCC(C(F)(F)F)(F)F)[H])[H])([C@H](CC2)O)C)[H],"InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1",VWUXBMIQPBEWFH-WCCTWKNTSA-N
BMGC_DG00646,BMG_DG005722,,C(CCN1CCN(CC1)C2CCCCC2)C3c4c(c(OC)ccc4)CCC3,,PHRCDWVPTULQMT-UHFFFAOYSA-N
BMGC_DG00647,BMG_DG005725,CCC(=O)[O-],O=C([O-])CC,"InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1",XBDQKXXYIPTUBI-UHFFFAOYSA-M
BMGC_DG00648,BMG_DG005728,C1CC(OC1)N2C=C(C(=O)NC2=O)F.C1=CNC(=O)NC1=O,,"InChI=1S/C8H9FN2O3.C4H4N2O2/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12;7-3-1-2-5-4(8)6-3/h4,6H,1-3H2,(H,10,12,13);1-2H,(H2,5,6,7,8)",DHMYGZIEILLVNR-UHFFFAOYSA-N
BMGC_DG00649,BMG_DG005729,OS(=O)[O-],[O-]S(O)=O,"InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1",LSNNMFCWUKXFEE-UHFFFAOYSA-M
BMGC_DG00650,BMG_DG005730,C1CN(C[C@H]1N)C2=C(C=C3C4=C2OC5=CC=CC=C5N4C=C(C3=O)C(=O)O)F,,"InChI=1S/C20H16FN3O4/c21-13-7-11-16-19(17(13)23-6-5-10(22)8-23)28-15-4-2-1-3-14(15)24(16)9-12(18(11)25)20(26)27/h1-4,7,9-10H,5-6,8,22H2,(H,26,27)/t10-/m0/s1",OLNJLTFSGFZCKE-JTQLQIEISA-N
BMGC_DG00651,BMG_DG005736,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5[C@@H]6[C@@H](O6)O[C@@H]5OC4=C1,,"InChI=1S/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12-,14-,16+,17+/m1/s1",KHBXRZGALJGBPA-IRWJRLHMSA-N
BMGC_DG00652,BMG_DG005737,CC(C)(CNC(=O)CC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N,O=C(NCC(C)(N)C)C[C@@H]1CC[C@]2(O[C@@]3(C4CC5CC(C4)CC3C5)OO2)CC1,"InChI=1S/C22H36N2O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25)",VXYZBLXGCYNIHP-UHFFFAOYSA-N;VXYZBLXGCYNIHP-ACBWXVLLSA-N
BMGC_DG00653,BMG_DG005738,COC1=C2C3=C(C(=O)C[C@@H]3O)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1,,"InChI=1S/C17H12O7/c1-21-9-5-10-11(6-2-3-22-17(6)23-10)15-14(9)12-7(18)4-8(19)13(12)16(20)24-15/h2-3,5-7,17-18H,4H2,1H3/t6-,7-,17+/m0/s1",GYNOTJLCULOEIM-XKRJZGAWSA-N
BMGC_DG00654,BMG_DG005739,,,,
BMGC_DG00655,BMG_DG005745,,c1cc([C@H](CNC(c2ccc(-c3ccc(cc3)Cl)cc2)=O)n4cncc4)ccc1,,FHHNSSGZEIVGMS-QHCPKHFHSA-N
BMGC_DG00656,BMG_DG005746,C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N,[C@@H]1(n2cnc(c2O)C(=O)N)O[C@H](CO)[C@H]([C@H]1O)O,"InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1",HZQDCMWJEBCWBR-UUOKFMHZSA-N
BMGC_DG00657,BMG_DG005754,C1C[C@](C[C@@H]1C(=O)O)(C(=O)O)N,,"InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1",YFYNOWXBIBKGHB-FBCQKBJTSA-N
BMGC_DG00658,BMG_DG005759,[O-]Cl(=O)=O,[O-]Cl(=O)=O,"InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)/p-1",XTEGARKTQYYJKE-UHFFFAOYSA-M
BMGC_DG00659,BMG_DG005762,CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1CC2=C(C=CC(=C2)O)[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O,c1cc2c(cc1O)C[C@@H](CCCCCCCCCCC(=O)N(CCCC)C)[C@@]3([C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@@H]4O)[H],"InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-25-23-26-24-27(36)16-17-28(26)29-20-21-34(2)30(33(25)29)18-19-31(34)37/h16-17,24-25,29-31,33,36-37H,4-15,18-23H2,1-3H3/t25-,29-,30+,31+,33-,34+/m1/s1",BVVFOLSZMQVDKV-KXQIQQEYSA-N
BMGC_DG00660,BMG_DG005765,CCCC(=O)[O-],,"InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1",FERIUCNNQQJTOY-UHFFFAOYSA-M
BMGC_DG00661,BMG_DG005768,,,,
BMGC_DG00662,BMG_DG005770,CCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(CCCCCCCC)(F)F)(F)F)(F)F,"InChI=1S/C14H17F13/c1-2-3-4-5-6-7-8-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2-8H2,1H3",WRYIIOKOQSICTB-UHFFFAOYSA-N
BMGC_DG00663,BMG_DG005779,CC1([C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(SS1)(C)C)C(=O)O)CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)C,S1SC(C)(C)[C@H](C(=O)O)NC([C@@H](NC(CNC([C@@H](C1(C)C)NC([C@@H](N)Cc2ccc(cc2)O)=O)=O)=O)Cc3ccccc3)=O,"InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1",MCMMCRYPQBNCPH-WMIMKTLMSA-N
BMGC_DG00664,BMG_DG005784,,C(CCC(F)(F)F)S(=O)(=O)Oc1cc(ccc1)Oc2c(c(ccc2)C(F)(F)F)C#N,,LWUSZIVDPJPVBW-UHFFFAOYSA-N
BMGC_DG00665,BMG_DG005786,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2NCCCCCCN4C(=O)C=CC4=O)CCC5=C3C=CC(=C5)OC,,"InChI=1S/C29H40N2O3/c1-29-16-15-23-22-10-8-21(34-2)19-20(22)7-9-24(23)25(29)11-12-26(29)30-17-5-3-4-6-18-31-27(32)13-14-28(31)33/h8,10,13-14,19,23-26,30H,3-7,9,11-12,15-18H2,1-2H3/t23-,24-,25+,26+,29+/m1/s1",LUFAORPFSVMJIW-ZRJUGLEFSA-N
BMGC_DG00666,BMG_DG005789,C1CN(CCN1)S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=C(C(=CC=C3)F)Cl)Cl,N(C(=O)Nc1c(c(c(cc1)Cl)S(=O)(=O)N2CCNCC2)O)c3c(c(ccc3)F)Cl,"InChI=1S/C17H17Cl2FN4O4S/c18-10-4-5-13(23-17(26)22-12-3-1-2-11(20)14(12)19)15(25)16(10)29(27,28)24-8-6-21-7-9-24/h1-5,21,25H,6-9H2,(H2,22,23,26)",YQYFEGTYCUQBEI-UHFFFAOYSA-N
BMGC_DG00667,BMG_DG005791,[Sr+2],[Sr+2],InChI=1S/Sr/q+2,PWYYWQHXAPXYMF-UHFFFAOYSA-N
BMGC_DG00668,BMG_DG005792,CCOP(=O)(C(C)NC(=O)N(CCCl)N=O)OCC,C(NC(P(=O)(OCC)OCC)C)(N(N=O)CCCl)=O,"InChI=1S/C9H19ClN3O5P/c1-4-17-19(16,18-5-2)8(3)11-9(14)13(12-15)7-6-10/h8H,4-7H2,1-3H3,(H,11,14)",YAKWPXVTIGTRJH-UHFFFAOYSA-N
BMGC_DG00669,BMG_DG005794,C1=CNN=C1,c1cc[nH]n1,"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)",WTKZEGDFNFYCGP-UHFFFAOYSA-N
BMGC_DG00670,BMG_DG005799,C(C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)N)CN=C(N)N,NC(=N)NCCC[C@@H](C(NCC(=O)N[C@@H](CC(=O)O)C(O)=O)=O)N,"InChI=1S/C12H22N6O6/c13-6(2-1-3-16-12(14)15)10(22)17-5-8(19)18-7(11(23)24)4-9(20)21/h6-7H,1-5,13H2,(H,17,22)(H,18,19)(H,20,21)(H,23,24)(H4,14,15,16)/t6-,7-/m0/s1",IYMAXBFPHPZYIK-BQBZGAKWSA-N
BMGC_DG00671,BMG_DG005800,,,,
BMGC_DG00672,BMG_DG005803,O.O.OP(=O)([O-])[O-].[Ca+2],P([O-])([O-])(=O)O.[Ca+2].O.O,"InChI=1S/Ca.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+2;;;/p-2",XAAHAAMILDNBPS-UHFFFAOYSA-L
BMGC_DG00673,BMG_DG005804,N(=O)O[O-],N(O[O-])=O,InChI=1S/HNO3/c2-1-4-3/h3H/p-1,CMFNMSMUKZHDEY-UHFFFAOYSA-M
BMGC_DG00674,BMG_DG005807,,Oc1c2c(c(Oc3cc(cc(c3)O)O)c(O)c1)Oc4c(cc(cc4O)Oc5c(cc(cc5O)O)O)O2,,JLEVVQRBEATTCM-UHFFFAOYSA-N
BMGC_DG00675,BMG_DG005809,[Ba+2],[Ba+2],InChI=1S/Ba/q+2,XDFCIPNJCBUZJN-UHFFFAOYSA-N
BMGC_DG00676,BMG_DG005813,[Cu+],,InChI=1S/Cu/q+1,VMQMZMRVKUZKQL-UHFFFAOYSA-N
BMGC_DG00677,BMG_DG005819,C1=CC=C(C=C1)CCCC(=O)OCC(COC(=O)CCCC2=CC=CC=C2)OC(=O)CCCC3=CC=CC=C3,c1ccc(cc1)CCCC(OCC(OC(=O)CCCc2ccccc2)COC(CCCc3ccccc3)=O)=O,"InChI=1S/C33H38O6/c34-31(22-10-19-27-13-4-1-5-14-27)37-25-30(39-33(36)24-12-21-29-17-8-3-9-18-29)26-38-32(35)23-11-20-28-15-6-2-7-16-28/h1-9,13-18,30H,10-12,19-26H2",ZSDBFLMJVAGKOU-UHFFFAOYSA-N
BMGC_DG00678,BMG_DG005825,,,,
BMGC_DG00679,BMG_DG005830,,c1(cc(c(cc1)Oc2c(cc(cc2)C(=O)NCCCC)NS(=O)(=O)c3c(cc(cc3)Cl)Cl)OC)CC(=O)O,,DKSKRBVXRDGYAS-UHFFFAOYSA-N
BMGC_DG00680,BMG_DG005834,C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O,N12C(=C(SCCNC=N)C[C@@]1([C@]([C@H](O)C)([H])C2=O)[H])C(=O)O,"InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1",ZSKVGTPCRGIANV-ZXFLCMHBSA-N
BMGC_DG00681,BMG_DG005839,CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O,C(C)c1c2c(-c3n(C2)c(=O)c4c(c3)[C@](CC)(O)C(=O)OC4)nc5c1cc(O)cc5,"InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1",FJHBVJOVLFPMQE-QFIPXVFZSA-N
BMGC_DG00682,BMG_DG005842,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C,C1[C@H](C[C@@]2(CC[C@@]3([C@@]([C@]2(C1)C)(C(=O)C[C@]4([C@]3(CC[C@@H]4C(=O)C)[H])C)[H])[H])[H])O,"InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1",DUHUCHOQIDJXAT-OLVMNOGESA-N
BMGC_DG00683,BMG_DG005848,CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl.Cl,c1cc(ccc1-c2n(-c3c(Cl)cc(cc3)Cl)nc(C(NN4CCCCC4)=O)c2C)Cl.Cl,"InChI=1S/C22H21Cl3N4O.ClH/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15;/h5-10,13H,2-4,11-12H2,1H3,(H,27,30);1H",REOYOKXLUFHOBV-UHFFFAOYSA-N
BMGC_DG00684,BMG_DG005850,CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl,n1(c(-c2ccc(cc2)Cl)c(c(n1)C(=O)NN3CCCCC3)C)-c4c(cc(cc4)Cl)Cl,"InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)",JZCPYUJPEARBJL-UHFFFAOYSA-N
BMGC_DG00685,BMG_DG005855,CN(CCCC(C1=CN=CC=C1)O)N=O,C(CCCN(N=O)C)(O)c1cnccc1,"InChI=1S/C10H15N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3",OGRXKBUCZFFSTL-UHFFFAOYSA-N
BMGC_DG00686,BMG_DG005860,CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC,c1c(c(ccc1)OC)Oc2c(OCCO)nc(-c3ncccn3)nc2NS(c4ccc(C(C)(C)C)cc4)(=O)=O,"InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)",GJPICJJJRGTNOD-UHFFFAOYSA-N
BMGC_DG00687,BMG_DG005866,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C=CC4=CC(=O)C=C[C@]34C,C=1C(C=C2C=C[C@]3([C@]4([C@](CC[C@@]3([C@]2(C1)C)[H])(C(CC4)=O)C)[H])[H])=O,"InChI=1S/C19H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,7,9,11,14-16H,5-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1",DKVSUQWCZQBWCP-QAGGRKNESA-N
BMGC_DG00688,BMG_DG005878,CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@@H]2C[C@@H](CC[C@H]2CCCO)O)O,C1C[C@H]([C@@H](C[C@@H]1O)c2ccc(cc2O)C(CCCCCC)(C)C)CCCO;C1C[C@@H](O)C[C@@H](c2ccc(cc2O)C(CCCCCC)(C)C)[C@@H]1CCCO,"InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1",YNZFFALZMRAPHQ-SYYKKAFVSA-N
BMGC_DG00689,BMG_DG005880,[La+3],[La+3],InChI=1S/La/q+3,CZMAIROVPAYCMU-UHFFFAOYSA-N
BMGC_DG00690,BMG_DG005882,C1=CC=NC=C1,c1cnccc1,InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,JUJWROOIHBZHMG-UHFFFAOYSA-N
BMGC_DG00691,BMG_DG005885,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@H]1C(=O)CN5CCN(CC5)C6=NC(=NC(=C6)N7CCCC7)N8CCCC8)C)C,C1N(CCC1)c2nc(N3CCN(CC(=O)[C@@H]4[C@@]5(C)CC=C6[C@@]7(C)C=CC(=O)C=C7CC[C@@]6([H])[C@]5([H])C[C@H]4C)CC3)cc(N8CCCC8)n2,"InChI=1S/C38H52N6O2/c1-26-22-31-29-9-8-27-23-28(45)10-12-37(27,2)30(29)11-13-38(31,3)35(26)32(46)25-41-18-20-43(21-19-41)34-24-33(42-14-4-5-15-42)39-36(40-34)44-16-6-7-17-44/h10-12,23-24,26,29,31,35H,4-9,13-22,25H2,1-3H3/t26-,29-,31+,35-,37+,38+/m1/s1",RBKASMJPSJDQKY-RBFSKHHSSA-N
BMGC_DG00692,BMG_DG005886,CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC,[C@@H]12[C@H]([C@@H](O)C[C@@H](N1C)CC2)C(=O)OC,"InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1",QIQNNBXHAYSQRY-UYXSQOIJSA-N
BMGC_DG00693,BMG_DG005892,C1=CC=C(C=C1)N2C(=O)C3=C(N2)C4=CC=CC=C4N=C3,c12-c(c(=O)n(n1)-c3ccccc3)c[nH]c4c2cccc4,"InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H",XTYGFVVANLMBHE-UHFFFAOYSA-N;WRHJCJHWJSQAHY-UHFFFAOYSA-N
BMGC_DG00694,BMG_DG005897,CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C,C1(C(C=C(Cl)Cl)C1(C)C)C(OC(c2cc(Oc3ccccc3)c(F)cc2)C#N)=O,"InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3",QQODLKZGRKWIFG-UHFFFAOYSA-N
BMGC_DG00695,BMG_DG005906,C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O,CC1([C@]2([C@@](CC[C@@H]1O)(C)[C@]3(CC=C4[C@@]([C@]3(C)CC2)(C)CC[C@@]5([C@]4(CC(C)(C)CC5)[H])C(O)=O)[H])[H])C,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",MIJYXULNPSFWEK-GTOFXWBISA-N
BMGC_DG00696,BMG_DG005908,C1=C(C=C(C(=C1Br)Br)Br)C2=CC(=C(C(=C2)Br)Br)Br,c1(cc(c(Br)c(c1)Br)Br)-c2cc(c(Br)c(c2)Br)Br,InChI=1S/C12H4Br6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H,UXOOFXUEODCAIP-UHFFFAOYSA-N
BMGC_DG00697,BMG_DG005909,COC1=CC=CC=C1CN[C@@H]2[C@@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5,C1CC2[C@H](NCc3c(cccc3)OC)[C@H](C(c4ccccc4)c5ccccc5)N1CC2,"InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1",FLNYLINBEZROPL-NSOVKSMOSA-N
BMGC_DG00698,BMG_DG005915,CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1NO,c12nc(n(c1cc(-c3ccccc3)cn2)C)NO,"InChI=1S/C13H12N4O/c1-17-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(17)16-18/h2-8,18H,1H3,(H,14,15,16)",DCVWQAGUQFBCTF-UHFFFAOYSA-N
BMGC_DG00699,BMG_DG005918,COC1=CC=C(C=C1)CCCOC(CN2C=CN=C2)C3=CC=C(C=C3)OC,c1cc(OC)ccc1C(OCCCc2ccc(OC)cc2)Cn3cncc3,"InChI=1S/C22H26N2O3/c1-25-20-9-5-18(6-10-20)4-3-15-27-22(16-24-14-13-23-17-24)19-7-11-21(26-2)12-8-19/h5-14,17,22H,3-4,15-16H2,1-2H3",HLMBXBGDBBCYII-UHFFFAOYSA-N
BMGC_DG00700,BMG_DG005926,CC(C)C(CCCNCCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC,c1cc(cc(c1OC)OC)C(CCCNCCc2ccc(c(c2)OC)OC)(C(C)C)C#N,"InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3",UPKQNCPKPOLASS-UHFFFAOYSA-N
BMGC_DG00701,BMG_DG005928,CC(=O)NC1(CCN(CC1)CC[C@H](CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4,C1(NC(C)=O)(CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c3cc(Cl)c(Cl)cc3)CC1)c4ccccc4,"InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1",PGKXDIMONUAMFR-AREMUKBSSA-N
BMGC_DG00702,BMG_DG005934,CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-].[I-],[n+]1(c(c2c(ccc(c2)N)c3c1cc(N)cc3)-c4ccccc4)CCC[N+](CC)(CC)C.[I-].[I-],"InChI=1S/C27H33N4.2HI/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20;;/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3;2*1H/q+1;;/p-1",XJMOSONTPMZWPB-UHFFFAOYSA-M
BMGC_DG00703,BMG_DG005945,C1=CN2C=NC3=C(C2=N1)NC=N3,c1cn2c(n1)c3c(nc[nH]3)nc2,"InChI=1S/C7H5N5/c1-2-12-4-11-6-5(7(12)8-1)9-3-10-6/h1-4H,(H,9,10)",OGVOXGPIHFKUGM-UHFFFAOYSA-N
BMGC_DG00704,BMG_DG005948,CCC1=C2C3=CC(=C(C=C3NC2=CN=C1C(=O)OC)OC)OC,[nH]1c2cnc(c(c2c3cc(c(OC)cc31)OC)CC)C(=O)OC,"InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3",GADIKQPUNWAMEB-UHFFFAOYSA-N
BMGC_DG00705,BMG_DG005949,C(C(=O)C(=O)O)OP(=O)(O)O,O=C(O)C(=O)COP(=O)(O)O,"InChI=1S/C3H5O7P/c4-2(3(5)6)1-10-11(7,8)9/h1H2,(H,5,6)(H2,7,8,9)",LFLUCDOSQPJJBE-UHFFFAOYSA-N
BMGC_DG00706,BMG_DG005950,CC1=NC=C(C(=C1O)C=O)CO,c1(c(c(C)ncc1CO)O)C=O,"InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3",RADKZDMFGJYCBB-UHFFFAOYSA-N
BMGC_DG00707,BMG_DG005951,CC(C)[C@H]1C(=O)N[C@@H](CC2=CNC3=C2C(=CC=C3)N1C)CO,C(C)(C)[C@H]1C(=O)N[C@H](CO)Cc2c[nH]c3c2c(ccc3)N1C,"InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1",LUZOFMGZMUZSSK-LRDDRELGSA-N
BMGC_DG00708,BMG_DG005955,CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)CCC)O,C(CC)c1c2c(c(=O)cc(o2)C(O)=O)ccc1OCC(COc3c(CCC)c(O)c(cc3)C(C)=O)O,"InChI=1S/C27H30O9/c1-4-6-19-22(10-8-17(15(3)28)25(19)31)34-13-16(29)14-35-23-11-9-18-21(30)12-24(27(32)33)36-26(18)20(23)7-5-2/h8-12,16,29,31H,4-7,13-14H2,1-3H3,(H,32,33)",LMQBMWHHGVZWMR-UHFFFAOYSA-N
BMGC_DG00709,BMG_DG005956,C[C@]12CC[C@H]3C(=CC(=O)[C@H](O3)C(C)(C)O)[C@@]1(CC[C@@H]4[C@@]2(C5=C(C4)C6=CC=CC=C6N5)C)O,c1ccc2c3c([nH]c2c1)[C@]4([C@@](C3)([H])CC[C@]5(C=6[C@](CC[C@]45C)(O[C@@H](C(C6)=O)C(C)(O)C)[H])O)C,"InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1",ACNHBCIZLNNLRS-UBGQALKQSA-N
BMGC_DG00710,BMG_DG005957,C1C[C@H](NC1)C(=S)S,,"InChI=1S/C5H9NS2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1",NOQMBGVHFWMDIE-BYPYZUCNSA-N
BMGC_DG00711,BMG_DG005966,C[Se]CC[C@@H](C(=O)O)N,C(=O)([C@@H](N)CC[Se]C)O,"InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",RJFAYQIBOAGBLC-BYPYZUCNSA-N
BMGC_DG00712,BMG_DG005970,C(=[N-])=O,[O-]C#N,InChI=1S/CNO/c2-1-3/q-1,IQPQWNKOIGAROB-UHFFFAOYSA-N;XLJMAIOERFSOGZ-UHFFFAOYSA-M
BMGC_DG00713,BMG_DG005974,CCNC(C)CC1=CC2=C(C=C1)OCO2,c12c(OCO1)ccc(c2)CC(NCC)C,"InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3",PVXVWWANJIWJOO-UHFFFAOYSA-N
BMGC_DG00714,BMG_DG005979,,c1cc2n(c(c(c2cc1C(C)C)SCCCC)CC(C(O)=O)(C)C)Cc3ccc(Cl)cc3,,VFMGWQLOCZBFCK-UHFFFAOYSA-N
BMGC_DG00715,BMG_DG005983,CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)F)C(=O)OC,C(OC)(=O)[C@H]1[C@H](C[C@H]2N([C@@H]1CC2)C)c3ccc(cc3)F,"InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1",QUSLQENMLDRCTO-YJNKXOJESA-N
BMGC_DG00716,BMG_DG005993,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C,[C@]12(CC[C@]3([H])[C@@]4(C)CC[C@@H](CC4=CC[C@]3([C@@]2(CC[C@@H]1C(C)=O)[H])[H])OS(=O)(O)=O)C,"InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1",DIJBBUIOWGGQOP-QGVNFLHTSA-N
BMGC_DG00717,BMG_DG005995,,c1cc2c(cc1)c3c(cnc(c3)C(OCC)=O)[nH]2,,KOVRZNUMIKACTB-UHFFFAOYSA-N
BMGC_DG00718,BMG_DG006008,CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O,P(OCc1c(c(O)c(nc1)C)C=O)(=O)(O)O,"InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)",NGVDGCNFYWLIFO-UHFFFAOYSA-N
BMGC_DG00719,BMG_DG006014,CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=CC=CC=C4,C1CCO[C@]21C[C@@H]([C@@H](N(C(Cc3ccccc3)=O)C)CC2)N4CCCC4,"InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1",PGZRDDYTKFZSFR-ONTIZHBOSA-N
BMGC_DG00720,BMG_DG006029,C(C=O)Br,BrCC=O,"InChI=1S/C2H3BrO/c3-1-2-4/h2H,1H2",NMPVEAUIHMEAQP-UHFFFAOYSA-N
BMGC_DG00721,BMG_DG006035,,[Ga+3],,CKHJYUSOUQDYEN-UHFFFAOYSA-N
BMGC_DG00722,BMG_DG006044,CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C,C(C(OC(=O)C)CC)(CC(N(C)C)C)(c1ccccc1)c2ccccc2,"InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3",XBMIVRRWGCYBTQ-UHFFFAOYSA-N
BMGC_DG00723,BMG_DG006050,CCC1(C(=O)NC(=O)NC1=O)C2=CCCCCC2,C1(C(NC(NC1=O)=O)=O)(C2=CCCCCC2)CC,"InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)",PAZQYDJGLKSCSI-UHFFFAOYSA-N
BMGC_DG00724,BMG_DG006056,CC1=NC=C(C(=C1O)CN)CO,c1c(c(c(c(n1)C)O)CN)CO,"InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3",NHZMQXZHNVQTQA-UHFFFAOYSA-N
BMGC_DG00725,BMG_DG006085,CC1=NC=C(C(=C1O)CN)COP(=O)(O)O,c1(c(c(c(C)nc1)O)CN)COP(O)(O)=O,"InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)",ZMJGSOSNSPKHNH-UHFFFAOYSA-N
BMGC_DG00726,BMG_DG006087,C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C,[C@@]12(N(C(=O)[C@@](O1)(NC([C@@H]3C[C@@]4(c5c6c([nH]cc6C[C@]4(N(C3)C)[H])ccc5)[H])=O)C)[C@@H](Cc7ccccc7)C(N8[C@]2(CCC8)[H])=O)O,"InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1",LUZRJRNZXALNLM-JGRZULCMSA-N
BMGC_DG00727,BMG_DG006113,,O=[N+]([O-])c1ccc(CCN2CCCC2)cc1,,YFOCDNYNVHXLJE-UHFFFAOYSA-N
BMGC_DG00728,BMG_DG006120,CC1=NC=C(C(=C1O)CO)CO,c1(c(c(C)ncc1CO)O)CO,"InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3",LXNHXLLTXMVWPM-UHFFFAOYSA-N
BMGC_DG00729,BMG_DG006132,C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O,,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16?,17?,18+/m1/s1",MUPFEKGTMRGPLJ-BQCSWRFHSA-N
BMGC_DG00730,BMG_DG006137,CC1(C=CC2=C(C=CC(=C2O1)C3=CC4=C(O3)C=C(C=C4)O)O)C,c12OC(C=Cc1c(ccc2-c3oc4c(c3)ccc(c4)O)O)(C)C,"InChI=1S/C19H16O4/c1-19(2)8-7-13-15(21)6-5-14(18(13)23-19)17-9-11-3-4-12(20)10-16(11)22-17/h3-10,20-21H,1-2H3",SJIZTMNAKZAOTA-UHFFFAOYSA-N
BMGC_DG00731,BMG_DG006141,,c1(c(cc(c(c1)CC(N)C)OC)[N+](=O)[O-])OC,,JQJRESSXOVAECC-UHFFFAOYSA-N
BMGC_DG00732,BMG_DG006163,CCOP(=O)(OCC)SCC[N+](C)(C)C.[I-],[I-].CCOP(=O)(OCC)SCC[N+](C)(C)C,"InChI=1S/C9H23NO3PS.HI/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5;/h6-9H2,1-5H3;1H/q+1;/p-1",OVXQHPWHMXOFRD-UHFFFAOYSA-M
BMGC_DG00733,BMG_DG006166,CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)OC,c1ccc2c(c1)c(cn2CCCCC)C(c3ccc(c4c3cccc4)OC)=O,"InChI=1S/C25H25NO2/c1-3-4-9-16-26-17-22(19-11-7-8-13-23(19)26)25(27)21-14-15-24(28-2)20-12-6-5-10-18(20)21/h5-8,10-15,17H,3-4,9,16H2,1-2H3",UBMPKJKGUQDHRM-UHFFFAOYSA-N
BMGC_DG00734,BMG_DG006169,CCOP(=O)(OCC)SCC[N+](C)(C)C,CCOP(=O)(OCC)SCC[N+](C)(C)C,"InChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6-9H2,1-5H3/q+1",BJOLKYGKSZKIGU-UHFFFAOYSA-N
BMGC_DG00735,BMG_DG006179,,c1ccc(c(c1)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(CC4)=O,,YZWZYPOWFMWSAH-UHFFFAOYSA-N
BMGC_DG00736,BMG_DG006182,CC1=NC=C(C(=C1O)CO)COP(=O)(O)O,c1(c(c(c(C)nc1)O)CO)COP(O)(O)=O,"InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)",WHOMFKWHIQZTHY-UHFFFAOYSA-N
BMGC_DG00737,BMG_DG006224,,O[C@]12N[C@H](CC1)[C@@H](O)[C@@H](O)[C@@H]2O,,FXFBVZOJVHCEDO-BNWJMWRWSA-N
BMGC_DG00738,BMG_DG006255,C1CC(CCC1C(=O)NC2=NC(=NS2)C3=CC=CC=C3)O,,"InChI=1S/C15H17N3O2S/c19-12-8-6-11(7-9-12)14(20)17-15-16-13(18-21-15)10-4-2-1-3-5-10/h1-5,11-12,19H,6-9H2,(H,16,17,18,20)",HIYKPJVEMCGNEK-UHFFFAOYSA-N
BMGC_DG00739,BMG_DG006269,C1=CC(=C(C(=C1)O)O)O,c1(c(O)cccc1O)O,"InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H",WQGWDDDVZFFDIG-UHFFFAOYSA-N
BMGC_DG00740,BMG_DG006273,,CCN(C(c1ccc(C(c2cccc(F)c2)=C3CCNCC3)cc1)=O)CC,,LPYYOHCTDGHYSI-UHFFFAOYSA-N
BMGC_DG00741,BMG_DG006296,,c1c(cc2CC[C@@]3([C@@]([H])(c2c1)CC[C@]4([C@@]3([H])C[C@H]([C@@H]4OC(CCC(O)=O)=O)OC(CCC(O)=O)=O)C)[H])O,,VBRVDDFOBZNCPF-BRSFZVHSSA-N
BMGC_DG00742,BMG_DG006378,CC(=O)C(=O)O,C(C(=O)C)(=O)O,"InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)",LCTONWCANYUPML-UHFFFAOYSA-N
BMGC_DG00743,BMG_DG006390,C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4O)O)O)O)O,,"InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2",WZUVPPKBWHMQCE-UHFFFAOYSA-N
BMGC_DG00744,BMG_DG006409,COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O,[C@@]12([C@@]([C@H](c3cc(OC)c(c(c3)OC)OC)c4c([C@@H]1O)cc5c(OCO5)c4)(C(=O)OC2)[H])[H],"InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1",YJGVMLPVUAXIQN-XVVDYKMHSA-N
BMGC_DG00745,BMG_DG006412,,c1ccc2c(-c3ccoc3)c[nH]c2c1,,AFKNGDFJVAPDNN-UHFFFAOYSA-N
BMGC_DG00746,BMG_DG006424,[O-]P(=O)([O-])[O-],O=P([O-])([O-])[O-],"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3",NBIIXXVUZAFLBC-UHFFFAOYSA-K
BMGC_DG00747,BMG_DG006438,C1CN(CCN1)CCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4,,"InChI=1S/C17H22N6/c1(7-22-8-5-18-6-9-22)2-14-11-19-17-4-3-15(10-16(14)17)23-12-20-21-13-23/h3-4,10-13,18-19H,1-2,5-9H2",OOQZMTKUJVKASW-UHFFFAOYSA-N
BMGC_DG00748,BMG_DG006456,,[N+]1(CCC(C(c2ccccc2)C(C)C)O)(C)CCCCC1,,SMOSFFGOYXWICC-UHFFFAOYSA-N
BMGC_DG00749,BMG_DG006460,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,c12C(C[C@H](Oc1cc(cc2O)O[C@H]3[C@@H]([C@@H](O)[C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H](O)[C@H]([C@@H](O4)C)O)O)O)O)c5cc(O)c(cc5)OC)=O,"InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",QUQPHWDTPGMPEX-QJBIFVCTSA-N
BMGC_DG00750,BMG_DG006461,,C1Cc2c([C@H](O1)CCN3CCN(CC3)c4ccc(cc4)OC)ccc(c2)C(=O)NC,,UDLSEQDYARNKTL-HSZRJFAPSA-N
BMGC_DG00751,BMG_DG006468,CN(C)CCC1=CNC2=C1C(=CC=C2)OP(=O)(O)O,CN(C)CCc1c[nH]c2cccc(c12)OP(=O)(O)O,"InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)",QVDSEJDULKLHCG-UHFFFAOYSA-N
BMGC_DG00752,BMG_DG006481,CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@]6(C[C@@H]7C[C@H](CN(C7)CC8=C6NC9=CC=CC=C89)C(C)(F)F)C(=O)OC)OC)C,c1([C@]2(C[C@@H]3C[C@H](C[N@](Cc4c2[nH]c5c4cccc5)C3)C(C)(F)F)C(OC)=O)cc6[C@@]78CCN9[C@]8([C@](C=CC9)(CC)[C@H]([C@]([C@]7([H])N(c6cc1OC)C)(O)C(=O)OC)OC(=O)C)[H],"InChI=1S/C45H54F2N4O8/c1-8-42-14-11-16-51-17-15-43(36(42)51)30-19-31(34(56-5)20-33(30)49(4)37(43)45(55,40(54)58-7)38(42)59-25(2)52)44(39(53)57-6)21-26-18-27(41(3,46)47)23-50(22-26)24-29-28-12-9-10-13-32(28)48-35(29)44/h9-14,19-20,26-27,36-38,48,55H,8,15-18,21-24H2,1-7H3/t26-,27+,36-,37+,38+,42+,43+,44-,45-/m0/s1",NMDYYWFGPIMTKO-KLCPSUAYSA-N
BMGC_DG00753,BMG_DG006485,CCN1C(=O)C(OC1=O)(C)C,N1(C(OC(C1=O)(C)C)=O)CC,"InChI=1S/C7H11NO3/c1-4-8-5(9)7(2,3)11-6(8)10/h4H2,1-3H3",SIGSNYAYBSJATD-UHFFFAOYSA-N
BMGC_DG00754,BMG_DG006492,C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C,[C@]12(C(=CC(=O)CC1)[C@@H](C)C[C@@]3([C@@]2(CC[C@@]4([C@](C(=O)C)(O)CC[C@@]34[H])C)[H])[H])C,"InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1",FRQMUZJSZHZSGN-HBNHAYAOSA-N
BMGC_DG00755,BMG_DG006499,,N#Cc1ccc(Cn2cncc2C=O)cc1,,AMUOEEKBBOOOCV-UHFFFAOYSA-N
BMGC_DG00756,BMG_DG006503,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C,C1C(C[C@@]2(CC[C@@]3([C@]([C@@]2(C)C1)([H])CC[C@]4([C@]3(CC[C@@]4(O)C)[H])C)[H])[H])=O,"InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20-/m0/s1",WYZDXEKUWRCKOB-YDSAWKJFSA-N
BMGC_DG00757,BMG_DG006507,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C,[C@@]12(C(=CC[C@]3([C@]4([C@]([C@@H](O)CC4)(C)CC[C@]13[H])[H])[H])C[C@@H](O)CC2)C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1",QADHLRWLCPCEKT-LOVVWNRFSA-N
BMGC_DG00758,BMG_DG006511,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,[C@]12([C@@]3([C@]([C@@]4(CC[C@@H]([C@]4(CC3)C)O)[H])(CC[C@]1(CC(CC2)=O)[H])[H])[H])C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1",NVKAWKQGWWIWPM-ABEVXSGRSA-N
BMGC_DG00759,BMG_DG006523,CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC,c12c(C(c3c(cc(cc3C1=O)C)O)=O)c(cc(c2)OC)O,"InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3",FFWOKTFYGVYKIR-UHFFFAOYSA-N
BMGC_DG00760,BMG_DG006526,,c12c(C(NC(C1=O)=O)=O)cccc2,,YIOFGHHAURBGSJ-UHFFFAOYSA-N
BMGC_DG00761,BMG_DG006545,,N1(c2c(cccc2)Sc3c1cccc3)CCN4CCCC4,,KJKJUXGEMYCCJN-UHFFFAOYSA-N
BMGC_DG00762,BMG_DG006597,COC(=O)[C@H]([C@@H]1CCCCN1)C2=CC=CC=C2,[C@@H](C(=O)OC)([C@]1(NCCCC1)[H])c2ccccc2;C1N[C@@](CCC1)([C@H](c2ccccc2)C(=O)OC)[H],"InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1",DUGOZIWVEXMGBE-STQMWFEESA-N
BMGC_DG00763,BMG_DG006598,C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3,c1c2c(c3c(c1)ccc(o3)=O)cco2,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,XDROKJSWHURZGO-UHFFFAOYSA-N
BMGC_DG00764,BMG_DG006603,C1=CC(=C(N=C1)C(=O)O)C(=O)O,c1(c(nccc1)C(O)=O)C(O)=O,"InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)",GJAWHXHKYYXBSV-UHFFFAOYSA-N
BMGC_DG00765,BMG_DG006604,CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,c12c(c(=O)n(c(n1C)=O)C)nc([nH]2)Cl.C(c1ccccc1)(c2ccccc2)OCCN(C)C,"InChI=1S/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10)",NFLLKCVHYJRNRH-UHFFFAOYSA-N
BMGC_DG00766,BMG_DG006609,CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl,c12c(c(=O)n(c(n1C)=O)C)[nH]c(n2)Cl,"InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)",RYIGNEOBDRVTHA-UHFFFAOYSA-N
BMGC_DG00767,BMG_DG006611,,c1(C(C(c2c(ccc(c2)Br)O)=O)=O)c(ccc(c1)Br)O,,AAOYLOCWJSLLJU-UHFFFAOYSA-N
BMGC_DG00768,BMG_DG006627,C1=CC=C2C(=C1)C=CC(=O)C2=O,c12c(C=CC(C1=O)=O)cccc2,InChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H,KETQAJRQOHHATG-UHFFFAOYSA-N
BMGC_DG00769,BMG_DG006631,CC(C=C(C1=CC=CS1)C2=CC=CS2)N(C)C,C(c1cccs1)(c2cccs2)=CC(N(C)C)C,"InChI=1S/C14H17NS2/c1-11(15(2)3)10-12(13-6-4-8-16-13)14-7-5-9-17-14/h4-11H,1-3H3",CANBGVXYBPOLRR-UHFFFAOYSA-N
BMGC_DG00770,BMG_DG006632,COC1=CC=C(C=C1)CCCN2C3=C(C=N2)C4=NC(=NN4C(=N3)N)C5=CC=CO5,C(CCc1ccc(cc1)OC)n2c3c(cn2)c4n(c(n3)N)nc(n4)-c5ccco5,"InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)",AEULVFLPCJOBCE-UHFFFAOYSA-N
BMGC_DG00771,BMG_DG006644,,c12c3c(n(c1)CCO[C@@H](CCn4c5c(c(C6=C2C(NC6=O)=O)c4)cccc5)CNC)cccc3,,ZEYTZKVCOZMUKL-KRWDZBQOSA-N
BMGC_DG00772,BMG_DG006647,C[C@H](C/C=C/S(=O)(=O)C(C)(C)C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,[C@]12([C@]([H])(\C(=C\C=C\3/C([C@H](C[C@@H](C3)O)O)=C)\CCC1)CC=C2[C@@H](C/C=C/S(C(C)(C)C)(=O)=O)C)C,"InChI=1S/C28H42O4S/c1-19(9-8-16-33(31,32)27(3,4)5)24-13-14-25-21(10-7-15-28(24,25)6)11-12-22-17-23(29)18-26(30)20(22)2/h8,11-13,16,19,23,25-26,29-30H,2,7,9-10,14-15,17-18H2,1,3-6H3/b16-8+,21-11+,22-12-/t19-,23-,25+,26+,28-/m1/s1",RFQHCLMGLJGZNV-UXXOMSPDSA-N
BMGC_DG00773,BMG_DG006688,C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2,c1(cc(=O)c2c(o1)cccc2)-c3ccccc3,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,VHBFFQKBGNRLFZ-UHFFFAOYSA-N
BMGC_DG00774,BMG_DG006691,,c1(sc2ccccc2c1)[C@@H](C)N(C(=O)N)O,,MWLSOWXNZPKENC-SSDOTTSWSA-N
BMGC_DG00775,BMG_DG006705,,N(c1nc(ccn1)-c2cccnc2)c3cc([N+](=O)[O-])ccc3C,,OJITWRFPRCHSMX-UHFFFAOYSA-N
BMGC_DG00776,BMG_DG006711,,[C@]1(C([C@@H](C)C[C@@H](C1)C)=O)([C@@H](CC2CC(NC(C2)=O)=O)OC(C)=O)[H],,AAQPOUCMFUHFNK-TXFQPVFDSA-N
BMGC_DG00777,BMG_DG006716,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O,[C@@H]([C@H]([C@@H]([C@H](O)CO)O)O)(C(=O)O)O,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1",RGHNJXZEOKUKBD-SQOUGZDYSA-N
BMGC_DG00778,BMG_DG006720,,O=C(O)c1cc(Br)ccc1NS(=O)(=O)c2ccc(Cl)cc2,,JDVLYAYDIMUAAC-UHFFFAOYSA-N
BMGC_DG00779,BMG_DG006734,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)[O-].[Na+],N12C(=O)[C@H]([C@]1(SCC(=C2C([O-])=O)COC(=O)C)[H])NC(\C(\c3nc(N)sc3)=N/OC)=O.[Na+],"InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-9-;/t10-,14-;/m1./s1",AZZMGZXNTDTSME-JUZDKLSSSA-M
BMGC_DG00780,BMG_DG006746,C1=CC=C(C=C1)CCC(=O)O,c1(CCC(O)=O)ccccc1,"InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)",XMIIGOLPHOKFCH-UHFFFAOYSA-N
BMGC_DG00781,BMG_DG006748,C1=CSC(=C1)C(=O)O,c1cc(C(=O)O)sc1,"InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)",QERYCTSHXKAMIS-UHFFFAOYSA-N
BMGC_DG00782,BMG_DG006769,,,,
BMGC_DG00783,BMG_DG006774,C1=CC=C(C(=C1)C(=O)C(=O)O)C(=O)O,,"InChI=1S/C9H6O5/c10-7(9(13)14)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,11,12)(H,13,14)",LFLOMAIEONDOLV-UHFFFAOYSA-N
BMGC_DG00784,BMG_DG006776,CCCNCCC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2,,"InChI=1S/C20H27NO2/c1-3-13-21-14-11-18-9-10-19(22-2)20(16-18)23-15-12-17-7-5-4-6-8-17/h4-10,16,21H,3,11-15H2,1-2H3",AEQMNSOSQSZZIB-UHFFFAOYSA-N
BMGC_DG00785,BMG_DG006791,,C([C@H]1CC(=CCC1)c2ccc(cc2)O)N3CC=C(CC3)c4ccc(cc4)O,,VMTIAIJOJOQAEM-GOSISDBHSA-N
BMGC_DG00786,BMG_DG006799,CC(C)C(CC=C)C(=O)NC(=O)N,N(C(C(C(C)C)CC=C)=O)C(=O)N,"InChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)",KSUUMAWCGDNLFK-UHFFFAOYSA-N
BMGC_DG00787,BMG_DG006807,,Oc1c2[C@]3([C@](C(Oc2cc(c1)C(CCCCBr)(C)C)(C)C)(CC=C(C3)C)[H])[H],,RJPGJHLVEUSRRA-QZTJIDSGSA-N
BMGC_DG00788,BMG_DG006813,CC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)O,C([C@H](NS(=O)(=O)c1ccc(s1)C#Cc2ccc(cc2)C)Cc3c[nH]c4ccccc34)(=O)O,"InChI=1S/C24H20N2O4S2/c1-16-6-8-17(9-7-16)10-11-19-12-13-23(31-19)32(29,30)26-22(24(27)28)14-18-15-25-21-5-3-2-4-20(18)21/h2-9,12-13,15,22,25-26H,14H2,1H3,(H,27,28)/t22-/m1/s1",YWCLDDLVLSQGSZ-JOCHJYFZSA-N
BMGC_DG00789,BMG_DG006818,,c1c(ccc2C(c3ccc(cc3C(c21)=O)NC(CCN4CCCC4)=O)=O)NC(CCN5CCCC5)=O,,CUZAYOMYKDAXQR-UHFFFAOYSA-N
BMGC_DG00790,BMG_DG006840,C1CC2=CC=CC=C2C(=O)C1,c12C(=O)CCCc1cccc2,"InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2",XHLHPRDBBAGVEG-UHFFFAOYSA-N
BMGC_DG00791,BMG_DG006910,,Cc1ccc(cc1)[C@@H]2[C@@H]([C@]3(CC[C@@](C2)(N3C/C=C/I)[H])[H])C(=O)OC,,YYCOWMQMXNLRHZ-DXWKFQSLSA-N
BMGC_DG00792,BMG_DG006918,COC1=CC(=CC(=C1O)OC)C(=O)O,c1(c(c(cc(c1)C(O)=O)OC)O)OC,"InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)",JMSVCTWVEWCHDZ-UHFFFAOYSA-N
BMGC_DG00793,BMG_DG006924,COC1=CC(=CC(=C1O)OC)C=CC(=O)O,,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)",PCMORTLOPMLEFB-UHFFFAOYSA-N
BMGC_DG00794,BMG_DG006928,CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=O)O,c1(c(cccc1)C(O)=O)OC(c2c(cccc2)OC(C)=O)=O,"InChI=1S/C16H12O6/c1-10(17)21-14-9-5-3-7-12(14)16(20)22-13-8-4-2-6-11(13)15(18)19/h2-9H,1H3,(H,18,19)",DDSFKIFGAPZBSR-UHFFFAOYSA-N
BMGC_DG00795,BMG_DG006935,CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N,,"InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1",KRNYOVHEKOBTEF-YUMQZZPRSA-N
BMGC_DG00796,BMG_DG006938,COC1=CC2=C(C=C1)C=CC(=O)O2,c12c(ccc(c1)OC)ccc(o2)=O,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",LIIALPBMIOVAHH-UHFFFAOYSA-N
BMGC_DG00797,BMG_DG006944,,C1COCCN1C2=C(C(=O)N(C2=O)c3cc(c(cc3)Cl)Cl)Cl,,MWSUIZKGNWELRF-UHFFFAOYSA-N
BMGC_DG00798,BMG_DG006959,,c12c(oc(=O)c(c1)C(O)=O)cccc2,,ACMLKANOGIVEPB-UHFFFAOYSA-N
BMGC_DG00799,BMG_DG006961,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O,OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1",GZCGUPFRVQAUEE-SLPGGIOYSA-N
BMGC_DG00800,BMG_DG006974,C1=CC(=C(C=C1C[C@@H](C(=O)O)N)I)OC2=CC(=C(C=C2)O)I,C([C@H](Cc1cc(I)c(cc1)Oc2cc(I)c(cc2)O)N)(=O)O,"InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m0/s1",CPCJBZABTUOGNM-LBPRGKRZSA-N
BMGC_DG00801,BMG_DG006975,C1=CC=C(C=C1)C(=O)CCl,c1cccc(c1)C(CCl)=O,"InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2",IMACFCSSMIZSPP-UHFFFAOYSA-N
BMGC_DG00802,BMG_DG006992,,C1(/C(/Cc2cc(c(cc12)OC)OC)=C/C3CCN(CC3)Cc4ccccc4)=O,,LPMOTUSFDTTWJL-UDWIEESQSA-N
BMGC_DG00803,BMG_DG006999,CCC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O,N1(C(c2ccccc2C1)=O)c3ccc(C(C(=O)O)CC)cc3,"InChI=1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)",AYDXAULLCROVIT-UHFFFAOYSA-N
BMGC_DG00804,BMG_DG007013,CCC(C)(CN(C)C)OC(=O)C1=CC=CC=C1,C(c1ccccc1)(=O)OC(CN(C)C)(CC)C,"InChI=1S/C14H21NO2/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3",FDMBBCOBEAVDAO-UHFFFAOYSA-N
BMGC_DG00805,BMG_DG007021,CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)([O-])OCC[N+]1=CSC=C1)OC,,"InChI=1S/C28H53N2O7PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-28(31)35-24-27(34-2)25-37-38(32,33)36-22-20-30-21-23-39-26-30/h21,23,26-27H,3-20,22,24-25H2,1-2H3,(H-,29,31,32,33)",NMHKTASGTFXJPL-UHFFFAOYSA-N
BMGC_DG00806,BMG_DG007023,COC1=CC=CC=C1CC(=N)N2C[C@H]3[C@@H](C2)C(CCC3=O)(C4=CC=CC=C4)C5=CC=CC=C5,C1N(C[C@@]2(C(CCC([C@]12[H])(c3ccccc3)c4ccccc4)=O)[H])C(Cc5c(cccc5)OC)=N,"InChI=1S/C29H30N2O2/c1-33-27-15-9-8-10-21(27)18-28(30)31-19-24-25(20-31)29(17-16-26(24)32,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24-25,30H,16-20H2,1H3/t24-,25+/m0/s1",VWBOQFANCXZMAU-LOSJGSFVSA-N
BMGC_DG00807,BMG_DG007024,C[C@@H](C(=O)O)O,C(=O)([C@@H](O)C)O,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1",JVTAAEKCZFNVCJ-REOHCLBHSA-N
BMGC_DG00808,BMG_DG007026,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C(C)(C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N(CC=C)CC=C,,"InChI=1S/C34H46N4O6/c1-7-18-38(19-8-2)29(22-25-14-16-26(39)17-15-25)31(41)37-34(5,6)33(44)36-27(21-24-12-10-9-11-13-24)30(40)35-28(32(42)43)20-23(3)4/h7-17,23,27-29,39H,1-2,18-22H2,3-6H3,(H,35,40)(H,36,44)(H,37,41)(H,42,43)/t27-,28-,29-/m0/s1",BGJPRBZZLWCLJW-AWCRTANDSA-N
BMGC_DG00809,BMG_DG007028,CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5CC5[C@]34C)Cl)C)OC(=O)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O,,"InChI=1S/C24H29ClO4.C20H24O2/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3;1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h10-11,14-18H,5-9H2,1-4H3;1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t14-,15+,16-,17-,18?,22-,23-,24-;16-,17-,18+,19+,20+/m01/s1",RWYFURDDADFSHT-RBBHPAOJSA-N
BMGC_DG00810,BMG_DG007034,CC(CNC1CCCCC1)OC(=O)C2=CC=CC=C2,C(OC(CNC1CCCCC1)C)(=O)c2ccccc2,"InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3",DKLKMKYDWHYZTD-UHFFFAOYSA-N
BMGC_DG00811,BMG_DG007038,COC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2,c1ccc2c(c1)[nH]c3c2cc(nc3)C(OC)=O,"InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3",UKHFPVCOXBJPIN-UHFFFAOYSA-N
BMGC_DG00812,BMG_DG007040,CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)O,C(=O)(O)CNC(c1c(cccc1)NS(=O)(=O)c2ccc(cc2)OC(C(C)(C)C)=O)=O,"InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)",BTGNGJJLZOIYID-UHFFFAOYSA-N
BMGC_DG00813,BMG_DG007050,CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C,N12[C@@]([C@@]3(CCCN3C(=O)[C@@H]1Cc4ccccc4)[H])(O)O[C@](C(C)C)(C2=O)NC([C@@H]5C[C@@]6([H])[C@]([H])(N(C)C5)Cc7c8c6cccc8[nH]c7)=O,"InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25-,27-,28+,29+,34-,35+/m1/s1",DEQITUUQPICUMR-HJPBWRTMSA-N
BMGC_DG00814,BMG_DG007055,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C,C1[C@H](O)CC2=C[C@H]([C@@]3([C@]([H])(CC[C@@]4([C@](CC[C@@]34[H])([C@@H](CCCC(C)C)C)[H])C)[C@@]2(C)C1)[H])O,"InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1",OYXZMSRRJOYLLO-RVOWOUOISA-N
BMGC_DG00815,BMG_DG007057,C[N@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)/C(=C/C(=O)OCCC[N@+]4(CCC5=CC(=C(C=C5[C@@H]4C6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C)/Cl.[Cl-].[Cl-],[Cl-].c1(cc(c(c(c1)OC)OC)OC)[C@@H]2[N@+](CCc3cc(c(cc32)OC)OC)(CCCOC(\C=C(\C(OCCC[N@@+]4(CCc5cc(c(cc5[C@H]4Cc6cc(c(c(OC)c6)OC)OC)OC)OC)C)=O)/Cl)=O)C.[Cl-],"InChI=1S/C53H69ClN2O14.2ClH/c1-55(19-15-34-26-41(59-3)43(61-5)30-37(34)40(55)23-33-24-45(63-7)51(67-11)46(25-33)64-8)17-13-22-70-53(58)39(54)32-49(57)69-21-14-18-56(2)20-16-35-27-42(60-4)44(62-6)31-38(35)50(56)36-28-47(65-9)52(68-12)48(29-36)66-10;;/h24-32,40,50H,13-23H2,1-12H3;2*1H/q+2;;/p-2/b39-32-;;/t40-,50+,55-,56+;;/m1../s1",SDIFKXLSGXCGEN-WJUBNSBASA-L
BMGC_DG00816,BMG_DG007065,CC(=O)C(=O)[O-],C(C([O-])=O)(C)=O,"InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1",LCTONWCANYUPML-UHFFFAOYSA-M
BMGC_DG00817,BMG_DG007069,,c1(C(NNc2ccccc2)=O)ccccc1,,CKLPECFHCLIYKN-UHFFFAOYSA-N
BMGC_DG00818,BMG_DG007071,C(COP(=O)(N)N(CCCl)CCCl)C=O,P(OCCC=O)(=O)(N)N(CCCl)CCCl,"InChI=1S/C7H15Cl2N2O3P/c8-2-4-11(5-3-9)15(10,13)14-7-1-6-12/h6H,1-5,7H2,(H2,10,13)",QMGUSPDJTPDFSF-UHFFFAOYSA-N
BMGC_DG00819,BMG_DG007077,CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2,C(C(NCC(=O)OCc1ccccc1)=O)(Cc2ccccc2)CSC(=O)C,"InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)",ODUOJXZPIYUATO-UHFFFAOYSA-N
BMGC_DG00820,BMG_DG007082,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,O(P(=O)(O)O)[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1OP(=O)(O)O,"InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3?,4-,5+,6?/m0/s1",CIPFCGZLFXVXBG-FTSGZOCFSA-N;CIPFCGZLFXVXBG-CNWJWELYSA-N
BMGC_DG00821,BMG_DG007088,CCC[C@](C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)O,[H][C@]12N(CC[C@]34c5c(O[C@@]3([H])[C@]6(CC[C@@]14C[C@]6([H])[C@@](O)(C)CCC)OC)c(O)ccc5C2)C,"InChI=1S/C25H35NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,17-18,21,27-28H,5,8-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/m1/s1",BRTSNYPDACNMIP-FAWZKKEFSA-N
BMGC_DG00822,BMG_DG007093,COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC(=C(C(=C4)CN5CCCC5)O)CN6CCCC6,c1(c(c(cc(c1)Nc2c3nc(ccc3nc4cc(Cl)ccc42)OC)CN5CCCC5)O)CN6CCCC6,"InChI=1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32)",DJUFPMUQJKWIJB-UHFFFAOYSA-N
BMGC_DG00823,BMG_DG007095,C(C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)N)CN=C(N)N,NC(NCCC[C@@H](C(NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O)=O)N)=N,"InChI=1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)(H,29,30)(H4,17,18,19)/t7-,8-,9-/m0/s1",NNRFRJQMBSBXGO-CIUDSAMLSA-N
BMGC_DG00824,BMG_DG007098,CCCCCCC(C)(C)C1=CC(=C2[C@H]3CC(=CC[C@@H]3C(OC2=C1)(C)C)CO)O,c12[C@@]3([C@@](CC=C(C3)CO)([H])C(Oc1cc(cc2O)C(CCCCCC)(C)C)(C)C)[H],"InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m0/s1",SSQJFGMEZBFMNV-PMACEKPBSA-N
BMGC_DG00825,BMG_DG007100,CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC)N5CCN(CC5)C,c1cc(c(C)cc1-c2noc(n2)C)-c3ccc(C(Nc4cc(c(cc4)OC)N5CCN(CC5)C)=O)cc3,"InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)",YDBCEBYHYKAFRX-UHFFFAOYSA-N
BMGC_DG00826,BMG_DG007102,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)(O)O)O)C)O)F)C,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)F)(C=CC(=O)C4)C)[H])(C[C@@H]([C@@]2(C(COP(=O)(O)O)=O)O)C)[H])C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",VQODGRNSFPNSQE-DVTGEIKXSA-N
BMGC_DG00827,BMG_DG007103,CC(C(=O)C1=CC=CC=C1)N,C(=O)(c1ccccc1)C(N)C,"InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3",PUAQLLVFLMYYJJ-UHFFFAOYSA-N
BMGC_DG00828,BMG_DG007106,,C(C(N)Cc1cc(c(cc1O)O)O)(=O)O,,YLKRUSPZOTYMAT-UHFFFAOYSA-N
BMGC_DG00829,BMG_DG007113,CN(C)CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21,c12c(cc3ccccc3n1)cccc2C(NCCN(C)C)=O,"InChI=1S/C18H19N3O/c1-21(2)11-10-19-18(22)15-8-5-7-14-12-13-6-3-4-9-16(13)20-17(14)15/h3-9,12H,10-11H2,1-2H3,(H,19,22)",XBGNERSKEKDZDS-UHFFFAOYSA-N
BMGC_DG00830,BMG_DG007115,CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O,N1([C@@H](C[C@]2([C@@]1(CCCC2)[H])[H])C(=O)O)C([C@@H](N[C@H](C(=O)OCC)CCC)C)=O,"InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1",IPVQLZZIHOAWMC-QXKUPLGCSA-N
BMGC_DG00831,BMG_DG007117,C(CS(=O)O)N,OS(CCN)=O,"InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)",VVIUBCNYACGLLV-UHFFFAOYSA-N
BMGC_DG00832,BMG_DG007129,CC1=C(SC=N1)CCCl,n1c(c(CCCl)sc1)C,"InChI=1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3",PCLITLDOTJTVDJ-UHFFFAOYSA-N
BMGC_DG00833,BMG_DG007132,C1CNCC2=C1C3=CC=CC=C3N2,c1ccc2c3c([nH]c2c1)CNCC3,"InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2",CFTOTSJVQRFXOF-UHFFFAOYSA-N
BMGC_DG00834,BMG_DG007135,CCN(CC)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)NC(=O)OCC,c12N(c3c(cccc3)Sc1ccc(c2)NC(OCC)=O)C(CCN(CC)CC)=O,"InChI=1S/C22H27N3O3S/c1-4-24(5-2)14-13-21(26)25-17-9-7-8-10-19(17)29-20-12-11-16(15-18(20)25)23-22(27)28-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,27)",PQXGNJKJMFUPPM-UHFFFAOYSA-N
BMGC_DG00835,BMG_DG007137,C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)O,,"InChI=1S/C33H46N6O10/c1-18(2)13-24(32(47)39-28(19(3)41)33(48)49)37-31(46)25(15-20-7-5-4-6-8-20)36-27(43)16-35-30(45)26(17-40)38-29(44)23(34)14-21-9-11-22(42)12-10-21/h4-12,18-19,23-26,28,40-42H,13-17,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,46)(H,38,44)(H,39,47)(H,48,49)/t19-,23+,24+,25+,26-,28+/m1/s1",PKSODCLCMBUCPW-LVNBQDLPSA-N
BMGC_DG00836,BMG_DG007138,,[C@]12([C@@H](OC=C([C@@]2([H])CC=C1CO)C(=O)OC)O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[H])[H],,IBFYXTRXDNAPMM-BVTMAQQCSA-N
BMGC_DG00837,BMG_DG007150,CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4,N1(c2c(NC(c3c1cccc3)=O)cccn2)C(=O)CN4C(CCCC4)CN(CC)CC,"InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)",UBRKDAVQCKZSPO-UHFFFAOYSA-N
BMGC_DG00838,BMG_DG007157,,O(OS(=O)([O-])=O)S(=O)([O-])=O,,JRKICGRDRMAZLK-UHFFFAOYSA-L
BMGC_DG00839,BMG_DG007163,,CC(C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,,JQPDCKOQOOQUSC-OOZYFLPDSA-N
BMGC_DG00840,BMG_DG007167,C1=CC=C(C(=O)C=C1)O,c1(c(ccccc1)=O)O,"InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)",MDYOLVRUBBJPFM-UHFFFAOYSA-N
BMGC_DG00841,BMG_DG007170,COC1=CC=C(C=C1)C2=NN(C(=N)C=C2)CCCC(=O)O,c1(ccc(n(n1)CCCC(O)=O)=N)-c2ccc(cc2)OC,"InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)",ACVGNKYJVGNLIL-UHFFFAOYSA-N
BMGC_DG00842,BMG_DG007172,,C[C@]12C3=C([C@]4(C)[C@@](CC3=O)(C(C)(C)[C@@H](O)CC4)[H])CC[C@]1(C)[C@@]([C@@H](CC/C=C(/CO)\C)C)(CC2)[H],,AZPOACUDFJKUHJ-GPEQXWBKSA-N
BMGC_DG00843,BMG_DG007176,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,O1c2c(c(O)cc(c2)O)C[C@H]([C@H]1c3cc(O)c(cc3)O)OC(c4cc(O)c(c(c4)O)O)=O,"InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1",LSHVYAFMTMFKBA-TZIWHRDSSA-N
BMGC_DG00844,BMG_DG007182,C1C2=CN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4F)CO,n12-c3c(C(c4c(F)cccc4)=NCc1cnc2CO)cc(cc3)Cl,"InChI=1S/C18H13ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-8,24H,9-10H2",QHSMEGADRFZVNE-UHFFFAOYSA-N
BMGC_DG00845,BMG_DG007189,CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NC)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC,COc1cc(NS(=O)(=O)C)ccc1Nc2c3c(nc4c2cccc4C(=O)NC)c(ccc3)C,"InChI=1S/C24H24N4O4S/c1-14-7-5-8-16-21(14)27-23-17(9-6-10-18(23)24(29)25-2)22(16)26-19-12-11-15(13-20(19)32-3)28-33(4,30)31/h5-13,28H,1-4H3,(H,25,29)(H,26,27)",TWHSQQYCDVSBRK-UHFFFAOYSA-N
BMGC_DG00846,BMG_DG007190,CC(C)(C)OC(=O)C1=C2[C@@H]3CCCN3C(=O)C4=C(N2C=N1)C=CC=C4Br,c1cc2-n3cnc(c3[C@@]4(CCCN4C(c2c(c1)Br)=O)[H])C(OC(C)(C)C)=O,"InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1",LWUDDYHYYNNIQI-ZDUSSCGKSA-N
BMGC_DG00847,BMG_DG007191,CCCNCC(COC1=C(C=C(C=C1)O)C(=O)CCC2=CC=CC=C2)O,c1cc(c(C(CCc2ccccc2)=O)cc1O)OCC(O)CNCCC,"InChI=1S/C21H27NO4/c1-2-12-22-14-18(24)15-26-21-11-9-17(23)13-19(21)20(25)10-8-16-6-4-3-5-7-16/h3-7,9,11,13,18,22-24H,2,8,10,12,14-15H2,1H3",LUTWDNUXHDYZRA-UHFFFAOYSA-N
BMGC_DG00848,BMG_DG007195,CN1CCC2=CC(=C(C=C2[C@@H]3[C@@H]1CCC4=CC=CC=C34)O)Cl,c1ccc2CC[C@]3([C@@](c4c(CCN3C)cc(c(c4)O)Cl)(c2c1)[H])[H],"InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1",DMJWENQHWZZWDF-PKOBYXMFSA-N
BMGC_DG00849,BMG_DG007198,CC1(C=CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC)C,O1c2c(cc(c(c2)OC)OC)[C@]3([C@@](C1)(Oc4c(ccc5OC(C=Cc45)(C)C)C3=O)[H])[H],"InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1",ORDAZKGHSNRHTD-UXHICEINSA-N
BMGC_DG00850,BMG_DG007206,CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)C(F)(F)F,C(c1cccc(c1)-c2nn3c(nnc3C)cc2)(F)(F)F,"InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3",GUOQUXNJZHGPQF-UHFFFAOYSA-N
BMGC_DG00851,BMG_DG007212,C[C@H]([C@@H](C(=O)N)NC(=O)[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)N)O,,"InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42-,43+,44-,45+,46+/m1/s1",PUDHBTGHUJUUFI-HUZRFOFRSA-N
BMGC_DG00852,BMG_DG007219,CSC(=NCCC[C@@H](C(=O)O)N)N,CSC(NCCC[C@@H](C(O)=O)N)=N,"InChI=1S/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/m0/s1",NGVMVBQRKZPFLB-YFKPBYRVSA-N
BMGC_DG00853,BMG_DG007221,CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N.Cl,c1cc(ccc1CCC(CO)(N)CO)CCCCCCCC.Cl,"InChI=1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22;/h9-12,21-22H,2-8,13-16,20H2,1H3;1H",SWZTYAVBMYWFGS-UHFFFAOYSA-N
BMGC_DG00854,BMG_DG007224,CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N,c1cc(CCC(CO)(N)CO)ccc1CCCCCCCC,"InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3",KKGQTZUTZRNORY-UHFFFAOYSA-N
BMGC_DG00855,BMG_DG007226,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,c1(c(c2ccc(O[C@H]3[C@@H]([C@H]([C@H](O)[C@H](O3)CO)O)O)cc2oc1)=O)-c4ccc(O)cc4,"InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1",KYQZWONCHDNPDP-QNDFHXLGSA-N
BMGC_DG00856,BMG_DG007239,CC(=NCCC[C@@H](C(=O)O)N)N,C(CCNC(C)=N)[C@@H](C(O)=O)N,"InChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1",UYZFAUAYFLEHRC-LURJTMIESA-N
BMGC_DG00857,BMG_DG007241,CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)C,[C@@H]12[C@@]([C@H]([C@]34[C@H](C[C@@]5([C@]([C@]63O[C@@H]16)(C)CCC7=C5COC7=O)[H])O4)O)(O2)C(C)C,"InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1",DFBIRQPKNDILPW-CIVMWXNOSA-N
BMGC_DG00858,BMG_DG007246,C1CN(CCN1)C2=CN=CC(=N2)Cl,n1c(Cl)cncc1N2CCNCC2,"InChI=1S/C8H11ClN4/c9-7-5-11-6-8(12-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2",CJAWPFJGFFNXQI-UHFFFAOYSA-N
BMGC_DG00859,BMG_DG007247,C[C@@H](C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O,N1(C([C@@H](N[C@H](C(=O)O)CCc2ccccc2)C)=O)[C@@H](Cc3c(C1)cccc3)C(=O)O,"InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1",FLSLEGPOVLMJMN-YSSFQJQWSA-N
BMGC_DG00860,BMG_DG007248,CCN1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2O)I)OC,[C@@H]1(N(CC)CCC1)CNC(c2c(c(I)ccc2OC)O)=O,"InChI=1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1",CANPFCFJURGKAX-JTQLQIEISA-N
BMGC_DG00861,BMG_DG007253,C1=CC(=CN=C1)CC(=O)O,O=C(O)Cc1cccnc1,"InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)",WGNUNYPERJMVRM-UHFFFAOYSA-N
BMGC_DG00862,BMG_DG007256,CN1C=C(C2=CC=CC=C21)C(=O)[C@@H]3CCC4=C(C3)NC=N4,C(=O)([C@H]1Cc2nc[nH]c2CC1)c3cn(c4ccccc34)C,"InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1",NTHPAPBPFQJABD-LLVKDONJSA-N
BMGC_DG00863,BMG_DG007259,,[C@@H]1(c2c(cc(cc2)OCCC)[C@H]([C@@H]1C(O)=O)c3c(cc(cc3)OC)OCC(O)=O)c4cc5OCOc5cc4,,UUAVCCWBNUITBB-UPRLRBBYSA-N
BMGC_DG00864,BMG_DG007261,,C1CC[C@@H](OC(c2c(CCCCCC1=O)cc(cc2O)O)=O)C,,APJDQUGPCJRQRJ-LBPRGKRZSA-N
BMGC_DG00865,BMG_DG007277,COC1=CC2=C(C=C1)NC=C2C3=CCNCC3,c1(C=2CCNCC2)c[nH]c3c1cc(cc3)OC,"InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3",KRVMLPUDAOWOGN-UHFFFAOYSA-N
BMGC_DG00866,BMG_DG007279,,c12-c(nn(c1=O)-c3ccc(cc3)Cl)c4ccccc4[nH]c2,,CQINXWYVIOMBEI-UHFFFAOYSA-N
BMGC_DG00867,BMG_DG007284,C1CN=C(N1)NC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N,c1(ccc2cc(ccc2c1)OC(c3ccc(cc3)NC4=NCCN4)=O)C(N)=N,"InChI=1S/C21H19N5O2/c22-19(23)16-2-1-15-12-18(8-5-14(15)11-16)28-20(27)13-3-6-17(7-4-13)26-21-24-9-10-25-21/h1-8,11-12H,9-10H2,(H3,22,23)(H2,24,25,26)",QMRJOIUGPCVZPH-UHFFFAOYSA-N
BMGC_DG00868,BMG_DG007287,C1CN(CCN1CCCC(C2=CC=C(C=C2)F)O)C3=NC=C(C=N3)F,c1cc(ccc1C(CCCN2CCN(c3ncc(F)cn3)CC2)O)F,"InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2",ZXUYYZPJUGQHLQ-UHFFFAOYSA-N
BMGC_DG00869,BMG_DG007297,,o1ccc([C@@H]2C[C@@]3(C([C@]4(C)[C@@](O3)([H])[C@H](OC(=O)C)[C@@]5([C@](C)(C(=O)C=C[C@@]5(C)C(OC)=O)[C@H]4CC(OC)=O)[H])=C2C)[H])c1,,NHOIBRJOQAYBJT-IMGVWCFESA-N
BMGC_DG00870,BMG_DG007298,CC(=O)[C@]1(C(=C)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)OC(=O)C,[C@@]12(CC[C@@]3([C@@]4(C(=CC(CC4)=O)CC[C@]3([C@@]1(CC([C@@]2(C(C)=O)OC(C)=O)=C)[H])[H])[H])[H])C,"InChI=1S/C23H30O4/c1-13-11-21-20-7-5-16-12-17(26)6-8-18(16)19(20)9-10-22(21,4)23(13,14(2)24)27-15(3)25/h12,18-21H,1,5-11H2,2-4H3/t18-,19+,20+,21-,22-,23-/m0/s1",CKFBRGLGTWAVLG-GOMYTPFNSA-N
BMGC_DG00871,BMG_DG007305,CC1=CCC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C,,"InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/t11-,12-,13-,15+/m0/s1",KTEXNACQROZXEV-PWNZVWSESA-N
BMGC_DG00872,BMG_DG007325,CCN(CC)CCOC1=CC=C(C=C1)CC2=CC=CC=C2,c1(ccc(cc1)Cc2ccccc2)OCCN(CC)CC,"InChI=1S/C19H25NO/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3",NFIXBCVWIPOYCD-UHFFFAOYSA-N
BMGC_DG00873,BMG_DG007340,,c1(c(nc(c(n1)Cl)N)N)C(=O)NC(NCc2ccccc2)=N,,KXDROGADUISDGY-UHFFFAOYSA-N
BMGC_DG00874,BMG_DG007345,,c1(c(cc(cc1C)C[C@@H](C(=O)O)N)C)Oc2cc(C(C)C)c(cc2)O,,QHHWMOKQVCJRPS-KRWDZBQOSA-N
BMGC_DG00875,BMG_DG007351,C1=CC(=CC2C1O2)Br,,"InChI=1S/C6H5BrO/c7-4-1-2-5-6(3-4)8-5/h1-3,5-6H",FVTNDWDQRAAPCD-UHFFFAOYSA-N
BMGC_DG00876,BMG_DG007354,CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3,,"InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3",RTZKSTLPRTWFEV-UHFFFAOYSA-N
BMGC_DG00877,BMG_DG007356,,c1nc(n(c(c1N)=O)CC(N[C@H](C(C)C)C(=O)c2oc(nn2)C(C)(C)C)=O)-c3ccccc3,,YSIHYROEMJSOAS-QGZVFWFLSA-N
BMGC_DG00878,BMG_DG007357,CC1=C(N2C=CC=C(C2=N1)OCC3=CC=CC=C3)CC#N,c12c(cccn1c(c(n2)C)CC#N)OCc3ccccc3,"InChI=1S/C17H15N3O/c1-13-15(9-10-18)20-11-5-8-16(17(20)19-13)21-12-14-6-3-2-4-7-14/h2-8,11H,9,12H2,1H3",PYKJFEPAUKAXNN-UHFFFAOYSA-N
BMGC_DG00879,BMG_DG007361,CC1(CCC(C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)(C)C)C,c1c2C(C)(C)CCC(c2ccc1NC(c3ccc(cc3)C(=O)O)=O)(C)C,"InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)",MUTNCGKQJGXKEM-UHFFFAOYSA-N
BMGC_DG00880,BMG_DG007362,C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CN3C(=C(N=N3)C(=O)N)N)Cl)Cl,c1(c(n(Cc2cc(Cl)c(c(c2)Cl)C(c3ccc(cc3)Cl)=O)nn1)N)C(=O)N,"InChI=1S/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27)",WNRZHQBJSXRYJK-UHFFFAOYSA-N
BMGC_DG00881,BMG_DG007364,CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O,,"InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1",HMHYXLVEFVGOPM-QKUYTOGTSA-N
BMGC_DG00882,BMG_DG007365,,c1(cc(c(O)cc1)N)C(OC)=O,,VNQABZCSYCTZMS-UHFFFAOYSA-N
BMGC_DG00883,BMG_DG007366,CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O,N12[C@]([C@H]3c4c(c(OC)c(cc4C[C@H](N3C)[C@@H]1O)C)O)([C@@H]5SC[C@]6(C(OC[C@H]2c7c5c(OC(=O)C)c(c8c7OCO8)C)=O)c9cc(OC)c(cc9CCN6)O)[H],"InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1",PKVRCIRHQMSYJX-AIFWHQITSA-N
BMGC_DG00884,BMG_DG007369,CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C,[N+](CCOP([O-])(OC[C@H](OC(=O)C)COCCCCCCCCCCCCCCCC)=O)(C)(C)C,"InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1",HVAUUPRFYPCOCA-AREMUKBSSA-N
BMGC_DG00885,BMG_DG007372,CC(C)OC1=CC=CC(=C1)CC(=O)N2CCC[C@](C2)(CC[N+]34CCC(CC3)(CC4)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl,C1[C@](CCCN1C(=O)Cc2cc(OC(C)C)ccc2)(c3cc(Cl)c(Cl)cc3)CC[N+]45CCC(CC4)(c6ccccc6)CC5,"InChI=1S/C37H45Cl2N2O2/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3/q+1/t36?,37-,41?/m1/s1",RPDFDSQFBCJTDY-GAQXSTBRSA-N
BMGC_DG00886,BMG_DG007373,,c12c(cccc1)cc(c3c2c4c(cc3C(=O)O)OCO4)[N+]([O-])=O,,MEEXETVZNQYRSP-UHFFFAOYSA-N
BMGC_DG00887,BMG_DG007382,COC1=CC(=C(C=C1C(=O)NC2CN3CCC2CC3)Cl)N,c1(c(cc(c(c1)OC)C(=O)NC2CN3CCC2CC3)Cl)N,"InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)",FEROPKNOYKURCJ-UHFFFAOYSA-N
BMGC_DG00888,BMG_DG007384,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)Cl,c1(n(c(CCCC)nc1Cl)Cc2ccc(-c3c(-c4nnn[nH]4)cccc3)cc2)C(=O)O,"InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)",ZEUXAIYYDDCIRX-UHFFFAOYSA-N
BMGC_DG00889,BMG_DG007386,C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)NC[C@@H](C3=CC=CC=C3)NC(=O)CCC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6,c12c([nH]cc1C[C@](C)(C(=O)NC[C@H](NC(=O)CCC(=O)O)c3ccccc3)NC(=O)OC4C5CC6CC4CC(C6)C5)cccc2,"InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21?,22?,24?,25?,29-,32?,35+/m0/s1",FVQSSYMRZKLFDR-ZABPBAJSSA-N
BMGC_DG00890,BMG_DG007387,,,,
BMGC_DG00891,BMG_DG007389,CC(=C)C1CCC(=CC1)CO,C(C1CC=C(CC1)CO)(=C)C,"InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3",NDTYTMIUWGWIMO-UHFFFAOYSA-N
BMGC_DG00892,BMG_DG007390,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)CC[C@]35C,,"InChI=1S/C25H36O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1",NIKZPECGCSUSBV-HMAFJQTKSA-N
BMGC_DG00893,BMG_DG007393,C(CC(=O)NC(CSCO)C(=O)NCC(=O)O)C(C(=O)O)N,,"InChI=1S/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h6-7,15H,1-5,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)",PIUSLWSYOYFRFR-UHFFFAOYSA-N
BMGC_DG00894,BMG_DG007406,CC(=O)NC1=C(NC(=O)N(C1=O)C)NC=O,c1([nH]c(n(c(c1NC(C)=O)=O)C)=O)NC=O,"InChI=1S/C8H10N4O4/c1-4(14)10-5-6(9-3-13)11-8(16)12(2)7(5)15/h3H,1-2H3,(H,9,13)(H,10,14)(H,11,16)",RDZNZFGKEVDNPK-UHFFFAOYSA-N
BMGC_DG00895,BMG_DG007409,CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)I)C(=O)OC,[C@@H]1([C@H](C[C@H]2N([C@@H]1CC2)C)c3ccc(I)cc3)C(=O)OC,"InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1",SIIICDNNMDMWCI-YJNKXOJESA-N
BMGC_DG00896,BMG_DG007411,,,,
BMGC_DG00897,BMG_DG007412,C(C=O)[C@H]([C@@H]([C@@H](CO)O)O)O,OC[C@H]([C@H]([C@@H](CC=O)O)O)O,"InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1",VRYALKFFQXWPIH-PBXRRBTRSA-N
BMGC_DG00898,BMG_DG007415,,c1cc2c(=O)ccoc2cc1Cn3cnnc3,,QNCWBRMMGXVBEU-UHFFFAOYSA-N
BMGC_DG00899,BMG_DG007431,,c1ccc(NCc2cccnc2)cc1,,BJXLHKJBRORJJJ-UHFFFAOYSA-N
BMGC_DG00900,BMG_DG007432,,c1cc(ccn1)NC(Nc2ccncc2)=O,,QRRGJASIECDXQW-UHFFFAOYSA-N
BMGC_DG00901,BMG_DG007445,,c1(Nc2ccccc2)nc(ncn1)N,,YMFGJWGABDOFID-UHFFFAOYSA-N
BMGC_DG00902,BMG_DG007448,COC1=CC=C(C=C1)C(=O)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=N4,,"InChI=1S/C21H16N4O2/c1-27-15-11-9-14(10-12-15)21(26)25-19-16-6-2-3-7-17(16)23-20(24-19)18-8-4-5-13-22-18/h2-13H,1H3,(H,23,24,25,26)",TTYULORVZLXLQA-UHFFFAOYSA-N
BMGC_DG00903,BMG_DG007453,,c1([nH]c2ccccc2n1)[S@+](Cc3c(c(OCCCOC)ccn3)C)[O-],,YREYEVIYCVEVJK-VWLOTQADSA-N
BMGC_DG00904,BMG_DG007454,,O1C([C@]2([C@@](CC(=CC2)C)(c3c1cc(C(CCCCCC#N)(C)C)cc3O)[H])[H])(C)C,,RVTLXKSJDYALPU-WOJBJXKFSA-N
BMGC_DG00905,BMG_DG007458,C[C@@H](CC1=CC=CC=C1)NC,N([C@H](Cc1ccccc1)C)C,"InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1",MYWUZJCMWCOHBA-VIFPVBQESA-N
BMGC_DG00906,BMG_DG007468,,N1(C(C)CCCC1)CCCOC(c2ccc(OC3CCCCC3)cc2)=O,,YLRNESBGEGGQBK-UHFFFAOYSA-N
BMGC_DG00907,BMG_DG007471,[O-]S(=O)(=S)[O-],[O-]S(=O)([S-])=O,"InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2",DHCDFWKWKRSZHF-UHFFFAOYSA-L
BMGC_DG00908,BMG_DG007506,CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,C(OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC)(=O)CCCCCCC,"InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3",VLPFTAMPNXLGLX-UHFFFAOYSA-N
BMGC_DG00909,BMG_DG007510,,O=c1c(-c2cccc(Cl)c2)coc3cc(O)cc(O)c13,,NKDPIBPNSMKOPN-UHFFFAOYSA-N
BMGC_DG00910,BMG_DG007513,,C(F)(F)(F)c1c2c(cc3c(c2)C=CC(C)(C)N3)[nH]c(=O)c1,,MMLSXRYBGYGQEP-UHFFFAOYSA-N
BMGC_DG00911,BMG_DG007521,,c1(CNC(N)=O)ccccc1,,RJNJWHFSKNJCTB-UHFFFAOYSA-N
BMGC_DG00912,BMG_DG007568,C[C@H](C1=CC=CC=C1)NC2=NC=CC(=C2)C3=C(NC(=N3)SC)C4=CC=C(C=C4)F,,"InChI=1S/C23H21FN4S/c1-15(16-6-4-3-5-7-16)26-20-14-18(12-13-25-20)22-21(27-23(28-22)29-2)17-8-10-19(24)11-9-17/h3-15H,1-2H3,(H,25,26)(H,27,28)/t15-/m1/s1",VXPWQNBKEIVYIS-OAHLLOKOSA-N
BMGC_DG00913,BMG_DG007589,,O1CCN(c2c(cc(N)cc2)Cl)CC1,,BBUAXVLPFRRBQR-UHFFFAOYSA-N
BMGC_DG00914,BMG_DG007608,C1CCC(CC1)N=C=NC2CCCCC2,C(=NC1CCCCC1)=NC2CCCCC2,"InChI=1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2",QOSSAOTZNIDXMA-UHFFFAOYSA-N
BMGC_DG00915,BMG_DG007619,,,,
BMGC_DG00916,BMG_DG007624,C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)[18F])CCC4=C3C=CC(=C4)O,C[C@@]12[C@]([C@]3([C@](CC1)(c4c(CC3)cc(cc4)O)[H])[H])(C[C@H]([C@@H]2O)[18F])[H],"InChI=1S/C18H23FO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1/i19-1",KDLLNMRYZGUVMA-ZYMZXAKXSA-N
BMGC_DG00917,BMG_DG007633,CN1C2=C(C(=O)NC(=O)N2)NC1=O,Cn1c(=O)[nH]c2c1[nH]c(=O)[nH]c2=O,"InChI=1S/C6H6N4O3/c1-10-3-2(7-6(10)13)4(11)9-5(12)8-3/h1H3,(H,7,13)(H2,8,9,11,12)",XJEJWDFDVPDMAS-UHFFFAOYSA-N
BMGC_DG00918,BMG_DG007642,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)C,,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10-,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1",GMRQFYUYWCNGIN-XLLXZTDJSA-N
BMGC_DG00919,BMG_DG007664,,o1c(=O)c(cc2c1c3CCCN4c3c(CCC4)c2)C(=O)O,,KCDCNGXPPGQERR-UHFFFAOYSA-N
BMGC_DG00920,BMG_DG007691,,Cc1ccc2oc(=O)n(Cc3ccccc3)c2c1,,OHZOKKGTLRVETE-UHFFFAOYSA-N
BMGC_DG00921,BMG_DG007698,,C(N[C@@H](C(C)(C)C)C)(=O)OCCCc1nc[nH]c1,,RVNLVECYTMCMTN-SNVBAGLBSA-N
BMGC_DG00922,BMG_DG007701,CNCC(=O)O,C(=O)(O)CNC,"InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)",FSYKKLYZXJSNPZ-UHFFFAOYSA-N
BMGC_DG00923,BMG_DG007750,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",FDJOLVPMNUYSCM-WYVZQNDMSA-L
BMGC_DG00924,BMG_DG007778,O[Se](=O)(=O)O,[Se](O)(O)(=O)=O,"InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)",QYHFIVBSNOWOCQ-UHFFFAOYSA-N
BMGC_DG00925,BMG_DG007815,C1=CC(=CC=C1O)I,c1(ccc(I)cc1)O,"InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H",VSMDINRNYYEDRN-UHFFFAOYSA-N
BMGC_DG00926,BMG_DG007842,,N1(C(=O)[C@@H](N)C)[C@@H](C(=O)O)CCC1,,WPWUFUBLGADILS-NTSWFWBYSA-N
BMGC_DG00927,BMG_DG007843,[CH3-].CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3],,"InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;-1;+3/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",ZFLASALABLFSNM-WYVZQNDMSA-L
BMGC_DG00928,BMG_DG007855,,o1c(=O)ccc2c(cccc12)OC,,XYFXTIBDEAZMAH-UHFFFAOYSA-N
BMGC_DG00929,BMG_DG007869,C(C(C(=O)O)N)S(=O)O,C(CS(=O)O)(C(=O)O)N,"InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)",ADVPTQAUNPRNPO-UHFFFAOYSA-N
BMGC_DG00930,BMG_DG007876,,N([C@@H](Cc1cnc[nH]1)C(=O)O)C(CS)=O,,CSHODVSRCYFEOH-LURJTMIESA-N
BMGC_DG00931,BMG_DG007897,,,,
BMGC_DG00932,BMG_DG007925,CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(=N2)[C@H]([C@@H](C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4,[C@@H](C=1SC[C@@H](C(N[C@H](C(N[C@@H](C(N[C@](C(N[C@@H]2C(N[C@@](C(=O)N[C@@]([C@@H](C)CC)(C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](C(N[C@@H](C(N[C@@H](CC(N)=O)C(NCCCC2)=O)=O)CC(=O)O)=O)Cc4c[nH]cn4)[H])(CCCN)[H])=O)=O)([C@H](CC)C)[H])=O)CCC(O)=O)=O)CC(C)C)=O)N1)([C@H](CC)C)N,"InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1",CLKOFPXJLQSYAH-ABRJDSQDSA-N
BMGC_DG00933,BMG_DG007930,,O=C(O)CCCCS,,GCIZMJUHGHGRNW-UHFFFAOYSA-N
BMGC_DG00934,BMG_DG007937,C[S@](=O)CC[C@@H](C(=O)O)N,,"InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m0/s1",QEFRNWWLZKMPFJ-MFXDVPHUSA-N
BMGC_DG00935,BMG_DG007938,O[Se](=O)O,[Se](O)(=O)O,"InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)",MCAHWIHFGHIESP-UHFFFAOYSA-N
BMGC_DG00936,BMG_DG007940,,C(O)(=O)[C@@]1(N)[C@H](c2ccccc2)C1,,MRUPFDZGTJQLCH-WPRPVWTQSA-N
BMGC_DG00937,BMG_DG007967,,,,
BMGC_DG00938,BMG_DG007978,C[N+](C)(C)C[C@@H](CC(=O)[O-])O,C(C[C@H](C[N+](C)(C)C)O)([O-])=O,"InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1",PHIQHXFUZVPYII-ZCFIWIBFSA-N
BMGC_DG00939,BMG_DG007980,C[N+](C)(C)C[C@@H](CC(=O)O)O,,"InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m1/s1",PHIQHXFUZVPYII-ZCFIWIBFSA-O
BMGC_DG00940,BMG_DG008013,,Cc1nc(C#Cc2ccccc2)cs1,,NZHWBWVBWDOSJY-UHFFFAOYSA-N
BMGC_DG00941,BMG_DG008048,CCCC(=O)N,C(C(N)=O)CC,"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)",DNSISZSEWVHGLH-UHFFFAOYSA-N
BMGC_DG00942,BMG_DG008050,,c12c(c3c(O)cccc3[nH]1)CCN4[C@]2(C[C@H](/C(/C(=O)OC)=C\OC)[C@H](CC)C4)[H],,IIRZCWUQUBSIPF-XZNUVMSOSA-N
BMGC_DG00943,BMG_DG008065,C[C@H](CC1=C2C3=C(C(=C(C4=C3C(=C5C2=C(C(=O)C=C5OC)C(=C1OC)O)C(=CC4=O)OC)O)OC)C[C@@H](C)OC(=O)OC6=CC=C(C=C6)O)OC(=O)C7=CC=CC=C7,c1(c(c(c2c3c1c(cc(c3c4c(cc(O)c5c4c2c(C[C@H](OC(=O)c6ccccc6)C)c(OC)c5=O)OC)OC)O)C[C@H](OC(Oc7ccc(cc7)O)=O)C)OC)=O,"InChI=1S/C44H38O14/c1-20(56-43(50)22-10-8-7-9-11-22)16-25-31-32-26(17-21(2)57-44(51)58-24-14-12-23(45)13-15-24)42(55-6)40(49)34-28(47)19-30(53-4)36(38(32)34)35-29(52-3)18-27(46)33(37(31)35)39(48)41(25)54-5/h7-15,18-21,45,48-49H,16-17H2,1-6H3/t20-,21-/m1/s1",LSUTUUOITDQYNO-NHCUHLMSSA-N;SRJYZPCBWDVSGO-NHCUHLMSSA-N
BMGC_DG00944,BMG_DG008076,,C(OC(C)C)([S-])=S.[K+],,ZMWBGRXFDPJFGC-UHFFFAOYSA-M
BMGC_DG00945,BMG_DG008155,,O[C@]12[C@@]3(CCC(=O)C(C)(C)C3=C(O)C(=O)[C@@]1([C@@]4([H])C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]4(C)C(=C)C2)C)C,,CYHGEJACRPDZDP-RSQIKLETSA-N
BMGC_DG00946,BMG_DG008192,C[N+](C)(C)CC1=CC=CO1,C(c1ccco1)[N+](C)(C)C,"InChI=1S/C8H14NO/c1-9(2,3)7-8-5-4-6-10-8/h4-6H,7H2,1-3H3/q+1",HEDXEAAVEOJUCR-UHFFFAOYSA-N
BMGC_DG00947,BMG_DG008260,CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N/OCCN)O,[C@]1(O)(CC)c2cc-3n(c(c2COC1=O)=O)Cc4c(c5c(nc34)cccc5)/C=N/OCCN,"InChI=1S/C23H22N4O5/c1-2-23(30)17-9-19-20-15(11-27(19)21(28)16(17)12-31-22(23)29)14(10-25-32-8-7-24)13-5-3-4-6-18(13)26-20/h3-6,9-10,30H,2,7-8,11-12,24H2,1H3/b25-10+/t23-/m0/s1",IBTISPLPBBHVSU-UVOOVGFISA-N
BMGC_DG00948,BMG_DG008272,C1CCOC(=O)C1,C1(CCCCO1)=O,InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2,OZJPLYNZGCXSJM-UHFFFAOYSA-N
BMGC_DG00949,BMG_DG008305,,CO[C@@H]1C(=O)CC[C@]2(CO2)[C@@]1(O)[C@@]3(C)O[C@@H]3CC=C(C)C,,NESRXFGQJARQNM-OWYFMNJBSA-N
BMGC_DG00950,BMG_DG008347,C(C=O)C=O,C(C=O)C=O,"InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2",WSMYVTOQOOLQHP-UHFFFAOYSA-N
BMGC_DG00951,BMG_DG008370,,c1cc2sccc2c(N3CCNCC3)n1,,RVGRTFBJOXMFAX-UHFFFAOYSA-N
BMGC_DG00952,BMG_DG008374,,COc1ccc(cc1)Nc2nc(cs2)C(=O)N3CCc4ccccc4C3,,NTXBDULODNTCKP-UHFFFAOYSA-N
BMGC_DG00953,BMG_DG008398,CC(=O)NCC(=O)O,C(CNC(C)=O)(O)=O,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",OKJIRPAQVSHGFK-UHFFFAOYSA-N
BMGC_DG00954,BMG_DG008402,C[C@@H](/C=C/C=C/C(C)C)C1=NC(=CS1)C2=NC(=CS2)/C=C/[C@@H]([C@@H](C)/C(=C\C(=O)N)/OC)OC,c1(-c2csc(n2)[C@@H](C)/C=C/C=C/C(C)C)scc(/C=C/[C@@H]([C@@H](C)/C(=C\C(N)=O)/OC)OC)n1,"InChI=1S/C25H33N3O3S2/c1-16(2)9-7-8-10-17(3)24-28-20(15-33-24)25-27-19(14-32-25)11-12-21(30-5)18(4)22(31-6)13-23(26)29/h7-18,21H,1-6H3,(H2,26,29)/b9-7+,10-8+,12-11+,22-13+/t17-,18+,21-/m0/s1",XKTFQMCPGMTBMD-FYHMSGCOSA-N
BMGC_DG00955,BMG_DG008422,,[C@H]1(C(=C(C[C@H]1O)C)CO)CCO,,WUSPNVLGDGOZEV-VXNVDRBHSA-N
BMGC_DG00956,BMG_DG008427,,,,
BMGC_DG00957,BMG_DG008442,,N(c1cccc(-c2ccccc2)c1)C(=O)OC3CCCCC3,,HHVUFQYJOSFTEH-UHFFFAOYSA-N
BMGC_DG00958,BMG_DG008445,,c1([nH]c(c(c1C)C(O)=O)C)/C=C/2\C(Nc3c2cc(cc3)F)=O,,RBHBOUYXUXWCNJ-WDZFZDKYSA-N
BMGC_DG00959,BMG_DG008453,,NC(CCCC(C)C)C,,QNIVIMYXGGFTAK-UHFFFAOYSA-N
BMGC_DG00960,BMG_DG008531,CCN1CCN(C[C@H](C1)NC(=O)C2=CC(=C(C=C2OC)NC)Br)C,,"InChI=1S/C17H27BrN4O2/c1-5-22-7-6-21(3)10-12(11-22)20-17(23)13-8-14(18)15(19-2)9-16(13)24-4/h8-9,12,19H,5-7,10-11H2,1-4H3,(H,20,23)/t12-/m1/s1",DALSFUWTAOKVTF-GFCCVEGCSA-N
BMGC_DG00961,BMG_DG008586,C(CCl)Cl,ClCCCl,InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2,WSLDOOZREJYCGB-UHFFFAOYSA-N
BMGC_DG00962,BMG_DG008594,C1=CC2=C(C=C1C(=O)O)OC(=N2)C3=CC(=CC(=C3)Cl)Cl,c1(cc2c(cc1)nc(-c3cc(cc(c3)Cl)Cl)o2)C(O)=O,"InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)",TXEIIPDJKFWEEC-UHFFFAOYSA-N
BMGC_DG00963,BMG_DG008611,CCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCC(=O)O,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",TUNFSRHWOTWDNC-UHFFFAOYSA-N
BMGC_DG00964,BMG_DG008637,,O=C\1CCC/C1=C\c2ccc(Cl)cc2,,WUMOJUUCPXEEQL-CSKARUKUSA-N
BMGC_DG00965,BMG_DG008677,,O=c1c2c(oc(c1)-c3cc(O)c(cc3)OC)cc(cc2O)O[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O,,WKUHPOMCLBLCOV-MIUGBVLSSA-N
BMGC_DG00966,BMG_DG008683,C[N+]1(CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C,C[N+]1(C)CCCC1COC(=O)C(O)(c2ccccc2)c3ccccc3,"InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1",CQRKVVAGMJJJSR-UHFFFAOYSA-N
BMGC_DG00967,BMG_DG008702,C(CCNCCCN)CN,C(NCCCN)CCCN,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",ATHGHQPFGPMSJY-UHFFFAOYSA-N
BMGC_DG00968,BMG_DG008728,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Zn+2].[Zn+2].[Zn+2],[Zn+2].[O-]C(=O)CC(O)(C(=O)[O-])CC(=O)[O-].[Zn+2].[Zn+2].[O-]C(=O)CC(O)(C(=O)[O-])CC(=O)[O-],"InChI=1S/2C6H8O7.3Zn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",WGIWBXUNRXCYRA-UHFFFAOYSA-H
BMGC_DG00969,BMG_DG008756,,O(Cc1ccccc1)[C@H]2[C@H](OCc3ccccc3)[C@@H](COCc4ccccc4)NC[C@@H]2OCc5ccccc5,,HHIIDKLQTCPFQA-KMKAFXEASA-N
BMGC_DG00970,BMG_DG008760,,n1(c(c(/N=N/c2ccc(S(=O)(=O)N)cc2)c(n1)C)O)-c3ccccc3,,KUVBWHIBLGEIST-VHEBQXMUSA-N
BMGC_DG00971,BMG_DG008762,C(=O)([O-])[O-].[Mg+2],C([O-])([O-])=O.[Mg+2],"InChI=1S/CH2O3.Mg/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",ZLNQQNXFFQJAID-UHFFFAOYSA-L
BMGC_DG00972,BMG_DG008772,C(CCNCCCN)CNCCCN,NCCCNCCCCNCCCN,"InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2",PFNFFQXMRSDOHW-UHFFFAOYSA-N
BMGC_DG00973,BMG_DG008781,,[C@H](CCC(O)=O)(CP(=O)(O)O)C(O)=O,,ISEYJGQFXSTPMQ-BYPYZUCNSA-N
BMGC_DG00974,BMG_DG008782,C1=CC=C(C=C1)OC2=CC=C(C=C2)OCCN,,"InChI=1S/C14H15NO2/c15-10-11-16-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9H,10-11,15H2",FBLANPWAVFBRNS-UHFFFAOYSA-N
BMGC_DG00975,BMG_DG008816,,s1c(ncc1[C@@H](Cc2c[n+](ccc2)[O-])c3cc(c(cc3)OC(F)F)OC4CC4)C(O)(C(F)(F)F)C(F)(F)F,,YDLQPURWTSDWCC-HNNXBMFYSA-N
BMGC_DG00976,BMG_DG008836,,c1ccc(cc1)Cc2cc(C(=O)O)[nH]n2,,YYEOXPLPYNYVRY-UHFFFAOYSA-N
BMGC_DG00977,BMG_DG008876,C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-].[Na+].[Na+],c1([O-])c(c2oc3-c(c(c2cc1Br)-c4ccccc4C([O-])=O)cc(Br)c(=O)c3Br)Br.[Na+].[Na+],"InChI=1S/C20H8Br4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2",SEACYXSIPDVVMV-UHFFFAOYSA-L
BMGC_DG00978,BMG_DG008943,CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-],C1(=C(c2ccc(N(C)C)cc2)c3ccc(cc3)N(C)C)C=CC(=[N+](C)C)C=C1.[Cl-],"InChI=1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1",ZXJXZNDDNMQXFV-UHFFFAOYSA-M
BMGC_DG00979,BMG_DG008985,,,,
BMGC_DG00980,BMG_DG008986,CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36,N12[C@@H](c3[nH]c4ccccc4c3C[C@@]1(C(=O)N(CC2=O)C)[H])c5cc6OCOc6cc5,"InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1",WOXKDUGGOYFFRN-IIBYNOLFSA-N
BMGC_DG00981,BMG_DG009001,,COc1c(ccc2c1c(=O)n3CCc4c(cc5OCOc5c4)-c3c2)OC,,ZHYQCBCBTQWPLC-UHFFFAOYSA-N
BMGC_DG00982,BMG_DG009032,,,,
BMGC_DG00983,BMG_DG009036,,C[C@@]12[C@@]([H])([C@H](C)CCC(=O)OC)CC[C@@]1([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC2,,GRQROVWZGGDYSW-IFJDUOSNSA-N
BMGC_DG00984,BMG_DG009062,,,,
BMGC_DG00985,BMG_DG009075,,COc1ccc(N)c2ccccc12,,JVMUPDOMGALPOW-UHFFFAOYSA-N
BMGC_DG00986,BMG_DG009091,C1C[C@H](N(C1)C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C#N,,"InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12-,13+,14-,16?,17?/m0/s1",SYOKIDBDQMKNDQ-HHUWHTLVSA-N
BMGC_DG00987,BMG_DG009103,,c12c(cccc1N=C=S)cccc2,,JBDOSUUXMYMWQH-UHFFFAOYSA-N
BMGC_DG00988,BMG_DG009107,,C(N(CP(=O)(O)O)CP(=O)(O)O)C(CCCC)CC,,VCBDDOWPXBJZFB-UHFFFAOYSA-N
BMGC_DG00989,BMG_DG009111,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C,N12[C@@]([C@H](N)C1=O)(SC([C@@H]2C(=O)O)(C)C)[H],"InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1",NGHVIOIJCVXTGV-ALEPSDHESA-N
BMGC_DG00990,BMG_DG009140,,[C@@H](CCC(O)=O)(CP(=O)(O)O)C(O)=O,,ISEYJGQFXSTPMQ-SCSAIBSYSA-N
BMGC_DG00991,BMG_DG009199,,c12C(CC(Oc1cc(cc2O)O)c3cc(O)c(cc3)O)=O,,SBHXYTNGIZCORC-UHFFFAOYSA-N
BMGC_DG00992,BMG_DG009206,,CCCc1c(Cl)nc(O)[nH]c1=O,,DTSULQDNDBSJQV-UHFFFAOYSA-N
BMGC_DG00993,BMG_DG009234,CC(=CCC1=C(C=CC(=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)O)C,,"InChI=1S/C20H20O4/c1-13(2)3-6-15-11-14(4-9-18(15)22)5-10-19(23)17-8-7-16(21)12-20(17)24/h3-5,7-12,21-22,24H,6H2,1-2H3/b10-5+",TVUGLERLRIQATC-BJMVGYQFSA-N
BMGC_DG00994,BMG_DG009240,C(CNC(=O)N)C(=O)O,O=C(NCCC(=O)O)N,"InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)",JSJWCHRYRHKBBW-UHFFFAOYSA-N
BMGC_DG00995,BMG_DG009241,C(CC(=O)O)C(=O)O,C(CC(=O)O)C(=O)O,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",KDYFGRWQOYBRFD-UHFFFAOYSA-N
BMGC_DG00996,BMG_DG009242,,c1(occc1)C(O)C(=O)c2occc2,,MIJRFWVFNKQQDK-UHFFFAOYSA-N
BMGC_DG00997,BMG_DG009251,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,,"InChI=1S/C27H44O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h17-18,21-24,29H,6-16H2,1-5H3/t18-,21+,22-,23+,24+,26+,27-/m1/s1",APRTUYUNMHTWBF-REEZCCHISA-N
BMGC_DG00998,BMG_DG009258,CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O,c12nc(cc3[nH]c(cc4nc(cc5[nH]c(c1)c(c5C)C(O)C)C(=C4CCC(=O)O)C)c(c3C)CCC(=O)O)C(=C2C)C(O)C,"InChI=1S/C34H38N4O6/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27/h11-14,19-20,37-40H,7-10H2,1-6H3,(H,41,42)(H,43,44)",KFKRXESVMDBTNQ-UHFFFAOYSA-N;UJKPHYRXOLRVJJ-AMPAVEGJSA-N
BMGC_DG00999,BMG_DG009268,CCC1=C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC,C(C)[C@@]12[C@]3([C@@]4([C@]([C@]([C@@H]1OC(C)=O)(C(OC)=O)O)(N(c5c4cc(c(c5)OC)[C@]6(C(OC)=O)c7c(c8c([nH]7)cccc8)CC[N@@]9C[C@H](C6)C=C(C9)CC)C)[H])CCN3CC=C2)[H],"InChI=1S/C46H56N4O8/c1-8-28-21-29-24-45(41(52)56-6,37-31(15-19-49(25-28)26-29)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)55-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-27(3)51)46(39,54)42(53)57-7/h10-14,16,21-23,29,38-40,47,54H,8-9,15,17-20,24-26H2,1-7H3/t29-,38-,39+,40+,43+,44+,45-,46-/m0/s1",FFRFGVHNKJYNOV-ZCIMLLHDSA-N
BMGC_DG01000,BMG_DG009283,,C(O)[C@H]1[C@H](O)[C@H](O)[C@@H](O)CN1,,LXBIFEVIBLOUGU-OMMKOOBNSA-N
BMGC_DG01001,BMG_DG009288,,c1c(c(cc2nc3ccc(cc3nc21)N(C)C)C)N,,GLVRJEJEXGVOMJ-UHFFFAOYSA-N
BMGC_DG01002,BMG_DG009315,C/C/1=C\CC/C(=C/[C@@H](C[C@](/C=C/[C@@H](CC1)C(C)C)(C)O)O)/C,,"InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11+,16-7+,17-13+/t18-,19+,20-/m1/s1",RIVKDDXPCFBMOV-PTDQARIVSA-N
BMGC_DG01003,BMG_DG009337,,,,
BMGC_DG01004,BMG_DG009341,CC(C)CNCCOC(=O)C1=CC(=CC=C1)N,C(c1cc(N)ccc1)(=O)OCCNCC(C)C,"InChI=1S/C13H20N2O2/c1-10(2)9-15-6-7-17-13(16)11-4-3-5-12(14)8-11/h3-5,8,10,15H,6-7,9,14H2,1-2H3",BXMFKNRZTLNAFY-UHFFFAOYSA-N
BMGC_DG01005,BMG_DG009371,,CCCCCCCCOS(N)(=O)=O,,ZXWAFSSPWCHAJT-UHFFFAOYSA-N
BMGC_DG01006,BMG_DG009386,C(CC(=O)O)C=O,C(=O)(O)CCC=O,"InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)",UIUJIQZEACWQSV-UHFFFAOYSA-N
BMGC_DG01007,BMG_DG009389,,,,
BMGC_DG01008,BMG_DG009396,CC1=CC(=O)C=CC1=O,C=1(C(C=CC(C1)=O)=O)C,"InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3",VTWDKFNVVLAELH-UHFFFAOYSA-N
BMGC_DG01009,BMG_DG009403,[Li+].[Li+].C(=O)([O-])[O-],[Li+].[O-]C([O-])=O.[Li+],"InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",XGZVUEUWXADBQD-UHFFFAOYSA-L
BMGC_DG01010,BMG_DG009433,CC(C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,[C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)OC(C#N)(C)C,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",QLTCHMYAEJEXBT-ZEBDFXRSSA-N
BMGC_DG01011,BMG_DG009441,,C1C[C@@H](C#N)N(C1)C(=O)CNC23CC4CC(CC(C4)C2)C3,,GFJBFJGNXDVDDX-RDVIWEACSA-N
BMGC_DG01012,BMG_DG009455,CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)CC[C@@]43C)C)O,C=12[C@@]3(C(=CC(CC3)=O)CC[C@]2([C@@]4(CC[C@@]([C@]4(CC1)C)(C(COC(=O)C)=O)O)[H])[H])C,"InChI=1S/C23H30O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h7,12,17,19,27H,4-6,8-11,13H2,1-3H3/t17-,19+,21+,22+,23+/m1/s1",YUWPMEXLKGOSBF-GACAOOTBSA-N
BMGC_DG01013,BMG_DG009459,,C[C@@]12[C@@]3([C@]([C@]4([C@@](C[C@H]3O)(C)C(CC4)=O)[H])(CCC1=CC(C=C2)=O)[H])[H],,ZHOLUHXKCIXGSR-GBHAUCNQSA-N
BMGC_DG01014,BMG_DG009485,,c1(cc(cc(c1)C(O)=O)C(O)=O)C(O)=O,,QMKYBPDZANOJGF-UHFFFAOYSA-N
BMGC_DG01015,BMG_DG009501,CCC1=CC=CC(=C1N([C@@H](C)COC)C(=O)CCl)C,c1(C)cccc(CC)c1N(C(=O)CCl)[C@H](COC)C,"InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3/t12-/m0/s1",WVQBLGZPHOPPFO-LBPRGKRZSA-N
BMGC_DG01016,BMG_DG009506,,O=C(CS(=O)(=O)c1ccccc1)c2ccc([N+](=O)[O-])cc2,,GBLYERGOMLTORH-UHFFFAOYSA-N
BMGC_DG01017,BMG_DG009516,,,,
BMGC_DG01018,BMG_DG009547,CCCC(C(=O)C1=CC=CC=C1)N2CCCC2,C(C(N1CCCC1)CCC)(c2ccccc2)=O,"InChI=1S/C15H21NO/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13/h3-5,9-10,14H,2,6-8,11-12H2,1H3",YDIIDRWHPFMLGR-UHFFFAOYSA-N
BMGC_DG01019,BMG_DG009553,,,,
BMGC_DG01020,BMG_DG009556,,,,
BMGC_DG01021,BMG_DG009557,,,,
BMGC_DG01022,BMG_DG009559,,CCS(=O)(=O)Nc1ccncc1Oc2ccccc2,,FOUBNASCZPSQBW-UHFFFAOYSA-N
BMGC_DG01023,BMG_DG009563,CC(=O)CCO,C(C(C)=O)CO,"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3",LVSQXDHWDCMMRJ-UHFFFAOYSA-N
BMGC_DG01024,BMG_DG009566,,COc1ccccc1OCC2CN(CCO2)Cc3ccccc3,,MZGHPKFQFUACLN-UHFFFAOYSA-N
BMGC_DG01025,BMG_DG009568,,[C@@H]1(CN2CCC1CC2)Oc3ccc(nn3)-c4ccc5c(c4)cc[nH]5,,LUKNJAQKVPBDSC-SFHVURJKSA-N
BMGC_DG01026,BMG_DG009572,C1CNCCC2=C1C(=NN2CC3=CC=CC=C3)C4=CC=C(C=C4)Cl,c1(ccccc1)Cn2nc(-c3ccc(Cl)cc3)c4CCNCCc24,"InChI=1S/C20H20ClN3/c21-17-8-6-16(7-9-17)20-18-10-12-22-13-11-19(18)24(23-20)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2",UKJPMZGILXATGT-UHFFFAOYSA-N
BMGC_DG01027,BMG_DG009575,C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N,c1(C(N[C@@H]2CNCCC2)=O)sc(cc1NC(N)=O)-c3cc(F)ccc3,"InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1",IAYGCINLNONXHY-LBPRGKRZSA-N
BMGC_DG01028,BMG_DG009577,,Cc1nc(nc(c1)Nc2sc(cn2)C(=O)Nc3c(cccc3C)Cl)C,,WFRLFWGASBLYTC-UHFFFAOYSA-N
BMGC_DG01029,BMG_DG009584,CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl,C(N(C)C)(N[C@@H]1CC[C@H](CC1)CCN2CCN(CC2)c3c(c(ccc3)Cl)Cl)=O,"InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)",KPWSJANDNDDRMB-UHFFFAOYSA-N;KPWSJANDNDDRMB-QAQDUYKDSA-N
BMGC_DG01030,BMG_DG009585,CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)OC(=O)[C@H](C)N)C,n1cnc(Oc2ccc3c(c2F)cc([nH]3)C)c4n1cc(c4C)OC[C@H](OC([C@H](C)N)=O)C,"InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14+/m1/s1",LTEJRLHKIYCEOX-OCCSQVGLSA-N
BMGC_DG01031,BMG_DG009593,C1[C@H]([C@@H]([C@H]([C@H]1O)C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])CC[C@H](CCC2=CC=CC=C2)O)O,C(CCC/C=C\C[C@@H]1[C@H]([C@@H](C[C@@H]1O)O)CC[C@H](CCc2ccccc2)O)(=O)OCCCCO[N+](=O)[O-],"InChI=1S/C27H41NO8/c29-22(15-14-21-10-4-3-5-11-21)16-17-24-23(25(30)20-26(24)31)12-6-1-2-7-13-27(32)35-18-8-9-19-36-28(33)34/h1,3-6,10-11,22-26,29-31H,2,7-9,12-20H2/b6-1-/t22-,23+,24+,25-,26+/m0/s1",LOVMMUBRQUFEAH-UIEAZXIASA-N
BMGC_DG01032,BMG_DG009605,,n1c(C)cc(cc1C)-c2cccc(c2)C3=Nc4cc(C)c(cc4NC(C3)=O)C(F)(F)F,,LYTVXCQQTLUEQR-UHFFFAOYSA-N
BMGC_DG01033,BMG_DG009616,C1CC2=C(C1)NN=C2C3=NNN=N3,n1c(-c2n[nH]c3CCCc32)[nH]nn1,"InChI=1S/C7H8N6/c1-2-4-5(3-1)8-9-6(4)7-10-12-13-11-7/h1-3H2,(H,8,9)(H,10,11,12,13)",LTQYSJKGRPGMPO-UHFFFAOYSA-N
BMGC_DG01034,BMG_DG009624,,,,
BMGC_DG01035,BMG_DG009631,C(C(=O)NCC(=O)NCC(=O)O)N,C(CNC(CN)=O)(NCC(O)=O)=O,"InChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)",XKUKSGPZAADMRA-UHFFFAOYSA-N
BMGC_DG01036,BMG_DG009639,,N(C(=O)N)c1cc2/C(/C(Nc2cc1)=O)=C(\C)/c3[nH]ccc3,,DFURSNCTQGJRRX-JYRVWZFOSA-N
BMGC_DG01037,BMG_DG009641,,CC1(C(=O)N(C(=O)N1)c2cc(c(cc2)C#N)C(F)(F)F)C,,CYCKLVAQENOQPG-UHFFFAOYSA-N
BMGC_DG01038,BMG_DG009647,,NCC(NCC(O)=O)=O,,YMAWOPBAYDPSLA-UHFFFAOYSA-N
BMGC_DG01039,BMG_DG009670,,c1(n(c(c(c(n1)-c2ccncc2)-c3cc4ccccc4cc3)=O)C)NC[C@H](Cc5ccccc5)N,,RQVKVJIRFKVPBF-VWLOTQADSA-N
BMGC_DG01040,BMG_DG009671,,,,
BMGC_DG01041,BMG_DG009672,CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F,c1cc(cc(C(F)(F)F)c1Cl)NC(Nc2c(cc(cc2)Oc3cc(ncc3)C(=O)NC)F)=O,"InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)",FNHKPVJBJVTLMP-UHFFFAOYSA-N
BMGC_DG01042,BMG_DG009673,,c1(n(c(c(c(n1Cc2c(cccc2F)F)C)-c3c(c(ccc3)OC)F)=O)C[C@@H](c4ccccc4)N)=O,,CJUWBZDJMYYRDG-QFIPXVFZSA-N
BMGC_DG01043,BMG_DG009675,,C(N(C(CCC1CCCC1)=O)CCN(C)C)c2ccc(cc2)-c3ccc(CNCCc4ccccc4)cc3,,SEQAMPXQRKYYQF-UHFFFAOYSA-N
BMGC_DG01044,BMG_DG009676,,C1C[C@]2([C@]([C@@]([C@@H]1OC(C)=O)(C)C(O)=O)(CC[C@@]3([C@@]2(C(C=C4[C@]3(CC[C@@]5([C@]4([C@H]([C@@H](CC5)C)C)[H])C)C)=O)[H])C)[H])C,,HMMGKOVEOFBCAU-BCDBGHSCSA-N
BMGC_DG01045,BMG_DG009681,C[C@@H](C(=O)OCC1=CC=CC=C1)NP(=O)(OC[C@@H]2[C@H](C([C@@H](O2)N3C=CC(=NC3=O)N)(F)F)O)OC4=CC=CC=C4,FC1(F)[C@@H](O[C@@H]([C@H]1O)COP(Oc2ccccc2)(N[C@H](C(OCc3ccccc3)=O)C)=O)n4c(=O)nc(cc4)N,"InChI=1S/C25H27F2N4O8P/c1-16(22(33)36-14-17-8-4-2-5-9-17)30-40(35,39-18-10-6-3-7-11-18)37-15-19-21(32)25(26,27)23(38-19)31-13-12-20(28)29-24(31)34/h2-13,16,19,21,23,32H,14-15H2,1H3,(H,30,35)(H2,28,29,34)/t16-,19+,21+,23+,40?/m0/s1",NHTKGYOMICWFQZ-KKQYNPQSSA-N
BMGC_DG01046,BMG_DG009687,[O-]S(=O)(=O)[O-],S(=O)(=O)([O-])[O-],"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2",QAOWNCQODCNURD-UHFFFAOYSA-L
BMGC_DG01047,BMG_DG009690,,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,,ZLJJDBSDZSZVTF-LXOQPCSCSA-N
BMGC_DG01048,BMG_DG009691,C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)O,O[C@H](C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](C(N[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc32)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1)[C@H](O)C)Cc4ccc(O)cc4)=O)NC(=O)[C@H](NC(CN5CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC5)=O)Cc6ccccc6)C(O)=O,"InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1",QVFLVLMYXXNJDT-CSBVGUNJSA-N
BMGC_DG01049,BMG_DG009697,,,,
BMGC_DG01050,BMG_DG009698,,c1c(c(ccc1O)C(C)c2ccccc2)O,,PQSXNIMHIHYFEE-UHFFFAOYSA-N
BMGC_DG01051,BMG_DG009709,,c1(C([S@+](CC(N)=O)[O-])c2ccccc2)ccccc1,,YFGHCGITMMYXAQ-IBGZPJMESA-N
BMGC_DG01052,BMG_DG009715,C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@@]34[C@@H]([C@@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O,O[C@@H]1[C@]2(O[C@@]3([C@@](O)([C@](O2)([C@@]4([C@H](N=C(N)N[C@]14[C@@H]3O)O)[H])[H])CO)[H])O,"InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1",CFMYXEVWODSLAX-QOZOJKKESA-N
BMGC_DG01053,BMG_DG009719,C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl,Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1,"InChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)",LZMOSYUFVYJEPY-UHFFFAOYSA-N
BMGC_DG01054,BMG_DG009727,CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2],C(=O)([O-])CCCCCCCCCCCCCCCCC.[Mg+2].C(=O)([O-])CCCCCCCCCCCCCCCCC,"InChI=1S/2C18H36O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",HQKMJHAJHXVSDF-UHFFFAOYSA-L
BMGC_DG01055,BMG_DG009732,,C(\c1c2c([nH]c1)cc(Br)cc2)=C\3/C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3,,YYFNNPXWRXQUPR-JVXNRYDGSA-N
BMGC_DG01056,BMG_DG009735,CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-],c1cc2C(c3n(c([n+](c3C(c2cc1)=O)CCOC)C)Cc4nccnc4)=O.[Br-],"InChI=1S/C20H19N4O3.BrH/c1-13-23(9-10-27-2)17-18(24(13)12-14-11-21-7-8-22-14)20(26)16-6-4-3-5-15(16)19(17)25;/h3-8,11H,9-10,12H2,1-2H3;1H/q+1;/p-1",QBIYUDDJPRGKNJ-UHFFFAOYSA-M
BMGC_DG01057,BMG_DG009737,C[C@@H]1C(=O)N[C@@H]2CSSCC/C=C/[C@H](CC(=O)N1)OC(=O)C[C@@H]([C@H](NC2=O)C(C)C)O,N1C([C@@H]2NC([C@H](NC(C[C@@H](\C=C\CCSSC2)OC(C[C@@H]([C@H]1C(C)C)O)=O)=O)C)=O)=O,"InChI=1S/C20H31N3O6S2/c1-11(2)18-15(24)9-17(26)29-13-6-4-5-7-30-31-10-14(20(28)23-18)22-19(27)12(3)21-16(25)8-13/h4,6,11-15,18,24H,5,7-10H2,1-3H3,(H,21,25)(H,22,27)(H,23,28)/b6-4+/t12-,13-,14-,15+,18-/m1/s1",XFLBOEMFLGLWFF-HDXRNPEWSA-N
BMGC_DG01058,BMG_DG009743,OS(=O)(=O)O,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",QAOWNCQODCNURD-UHFFFAOYSA-N
BMGC_DG01059,BMG_DG009747,CCCCC1=NC(=CN1C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OCCCN(CC)CC,c1cc(Oc2ccc(cc2)Cl)ccc1-n3c(CCCC)nc(-c4ccc(OCCCN(CC)CC)cc4)c3,"InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3",KJNNWYBAOPXVJY-UHFFFAOYSA-N
BMGC_DG01060,BMG_DG009759,COC1=C(C(=NC=C1)C[S@@](=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC,c1(nc2ccc(cc2[nH]1)OC(F)F)[S@@+](Cc3c(c(OC)ccn3)OC)[O-],"InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)/t26-/m1/s1",IQPSEEYGBUAQFF-AREMUKBSSA-N
BMGC_DG01061,BMG_DG009774,,N12CCN(C(CC1)CC2)c3oc4c(nc(cc4)C)n3,,BSNKYWSMUAGMDO-UHFFFAOYSA-N
BMGC_DG01062,BMG_DG009782,,CC(=O)Nc1cc(-c2ccccc2)nc(-c3ccccc3)n1,,ZFBASLSZDCISGS-UHFFFAOYSA-N
BMGC_DG01063,BMG_DG009790,COC1=C(C=C(C=C1)F)C[C@]([C@@H]2CNCCO2)(C3CCOCC3)O,[C@@](Cc1c(ccc(c1)F)OC)(C2CCOCC2)([C@@]3(CNCCO3)[H])O,"InChI=1S/C18H26FNO4/c1-22-16-3-2-15(19)10-13(16)11-18(21,14-4-7-23-8-5-14)17-12-20-6-9-24-17/h2-3,10,14,17,20-21H,4-9,11-12H2,1H3/t17-,18+/m0/s1",CPBHSHYQQLFAPW-ZWKOTPCHSA-N
BMGC_DG01064,BMG_DG009791,,O(c1c(O)cc2c([C@]3([H])Cc4ccc(OC)c(OC)c4CN3CC2)c1)C,,BMCZTYDZHNTKPR-INIZCTEOSA-N
BMGC_DG01065,BMG_DG009796,C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4N5C=NC6=CC=CC=C65)C)O,[C@@]12(C(=CC[C@]2([C@]3([C@]([C@@]4(C(C[C@@H](O)CC4)=CC3)C)([H])CC1)[H])[H])n5c6c(nc5)cccc6)C,"InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1",PAFKTGFSEFKSQG-PAASFTFBSA-N
BMGC_DG01066,BMG_DG009800,,,,
BMGC_DG01067,BMG_DG009815,CC(=O)[O-].CC(=O)[O-].[Zn+2],C([O-])(C)=O.[Zn+2].C([O-])(C)=O,"InChI=1S/2C2H4O2.Zn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",DJWUNCQRNNEAKC-UHFFFAOYSA-L
BMGC_DG01068,BMG_DG009818,C1CN(C[C@H]1NC2CCC(CC2)(C3=NC=C(C=C3)C4=NC=CC=N4)O)C(=O)CNC(=O)C5=CC(=CC=C5)C(F)(F)F,O[C@]1(c2ccc(cn2)-c3ncccn3)CC[C@](CC1)(N[C@@H]4CN(CC4)C(CNC(=O)c5cc(C(F)(F)F)ccc5)=O)[H],"InChI=1S/C29H31F3N6O3/c30-29(31,32)21-4-1-3-19(15-21)27(40)36-17-25(39)38-14-9-23(18-38)37-22-7-10-28(41,11-8-22)24-6-5-20(16-35-24)26-33-12-2-13-34-26/h1-6,12-13,15-16,22-23,37,41H,7-11,14,17-18H2,(H,36,40)/t22?,23-,28?/m0/s1",ZNSVOHSYDRPBGI-LXWOLXCRSA-N;ZNSVOHSYDRPBGI-CBQRAPNFSA-N
BMGC_DG01069,BMG_DG009851,,,,
BMGC_DG01070,BMG_DG009854,,N1([C@@H](CCC1)C#N)C(=O)[C@H]2N(CCC2)C(CCCc3ccccc3)=O,,SPXFAUXQZWJGCJ-ROUUACIJSA-N
BMGC_DG01071,BMG_DG009857,,S(c1ccc(-c2c(noc2C)-c3ccccc3)cc1)(=O)(=O)NO,,ONTHNDYCEKOFIC-UHFFFAOYSA-N
BMGC_DG01072,BMG_DG009859,CCCC1=C(N=CN2C1=NC(=N2)C)CN3C=CN=C3C4=C(C=CC=N4)F,n1cn2nc(nc2c(c1Cn3c(ncc3)-c4ncccc4F)CCC)C,"InChI=1S/C18H18FN7/c1-3-5-13-15(22-11-26-17(13)23-12(2)24-26)10-25-9-8-21-18(25)16-14(19)6-4-7-20-16/h4,6-9,11H,3,5,10H2,1-2H3",UAMAIHOEGLEXSV-UHFFFAOYSA-N
BMGC_DG01073,BMG_DG009872,CC(C)[C@@H](C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)OCC2=CC=CC=C2,,"InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1",NGBKFLTYGSREKK-ANYOKISRSA-N
BMGC_DG01074,BMG_DG009875,CCN(CC)C(=O)C1=CC(=C(C=C1)C2=CC3(CCNCC3)OC4=CC=CC=C42)O,c1c2c(ccc1)OC3(CCNCC3)C=C2c4ccc(cc4O)C(N(CC)CC)=O,"InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)17-9-10-18(21(27)15-17)20-16-24(11-13-25-14-12-24)29-22-8-6-5-7-19(20)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3",ALGHKWSXJUQNJJ-UHFFFAOYSA-N
BMGC_DG01075,BMG_DG009878,,C(N)(N[C@@H]1CC[C@H](CC1)CCN2CCN(CC2)c3c(c(ccc3)Cl)Cl)=O,,UMTWXZNVNBBFLC-SHTZXODSSA-N
BMGC_DG01076,BMG_DG009879,,N1(C(C(=C(C1=O)SCCO)SCCO)=O)c2ccc(cc2)-c3ccccc3,,RFZCIUONZTUZER-UHFFFAOYSA-N
BMGC_DG01077,BMG_DG009922,CS(=O)(=O)F,S(=O)(=O)(F)C,"InChI=1S/CH3FO2S/c1-5(2,3)4/h1H3",KNWQLFOXPQZGPX-UHFFFAOYSA-N
BMGC_DG01078,BMG_DG009923,CN1C=NC=C1C[C@@H](C(=O)O)NC(=O)CCN,n1(cncc1C[C@@H](C(=O)O)NC(CCN)=O)C,"InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1",MYYIAHXIVFADCU-QMMMGPOBSA-N
BMGC_DG01079,BMG_DG009938,CCCN1C(=O)C2=C(N=C3N2C=C(N3)C)N(C1=O)CC4=CC=CC=C4,,"InChI=1S/C18H19N5O2/c1-3-9-21-16(24)14-15(20-17-19-12(2)10-22(14)17)23(18(21)25)11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,19,20)",PYBPORWWSICOQW-UHFFFAOYSA-N
BMGC_DG01080,BMG_DG009943,C[C@@H](C1=CC=CC=C1)NC(=O)/C(=C/C2=NC(=CC=C2)Br)/C#N,C(/C(=C/c1cccc(n1)Br)/C#N)(=O)N[C@@H](C)c2ccccc2,"InChI=1S/C17H14BrN3O/c1-12(13-6-3-2-4-7-13)20-17(22)14(11-19)10-15-8-5-9-16(18)21-15/h2-10,12H,1H3,(H,20,22)/b14-10+/t12-/m0/s1",VFUAJMPDXIRPKO-LQELWAHVSA-N
BMGC_DG01081,BMG_DG009953,CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O)C,[H][C@@]12CC[C@]3(C)[C@@]([H])([C@@]1(C)CC[C@H](O)C2(C)C)C[C@@H](O)[C@@]4([H])[C@]3(CC[C@]4([H])[C@](O)(C)CCC=C(C)C)C,"InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30-/m0/s1",PYXFVCFISTUSOO-HKUCOEKDSA-N
BMGC_DG01082,BMG_DG009954,,O1c2c(NC(C1(C)C)=O)nc(cc2)Nc3nc(ncc3F)Nc4cc(c(c(c4)OC)OC)OC,,NHHQJBCNYHBUSI-UHFFFAOYSA-N
BMGC_DG01083,BMG_DG009957,,C(C)(c1n(c(=O)c2c(n1)cccc2)-c3c(OCC)cccc3)N4CCN(C(COc5ccc(Cl)cc5)=O)CC4,,BKQFRNYHFIQEKN-UHFFFAOYSA-N
BMGC_DG01084,BMG_DG009959,C1CCC(C1)(C[C@@H](CCC2=CC=CC3=CC=CC=C32)C(=O)O)C(=O)N[C@H]4CCC5=CC=CC=C5N(C4=O)CC(=O)O,c12ccccc1c(ccc2)CC[C@H](CC3(CCCC3)C(N[C@@H]4C(N(c5c(CC4)cccc5)CC(=O)O)=O)=O)C(=O)O,"InChI=1S/C33H36N2O6/c36-29(37)21-35-28-13-4-2-9-24(28)16-17-27(30(35)38)34-32(41)33(18-5-6-19-33)20-25(31(39)40)15-14-23-11-7-10-22-8-1-3-12-26(22)23/h1-4,7-13,25,27H,5-6,14-21H2,(H,34,41)(H,36,37)(H,39,40)/t25-,27+/m1/s1",LOFDNSDPZTVIIO-VPUSJEBWSA-N
BMGC_DG01085,BMG_DG009968,C1=CC(=C(C=C1CCCO)O)O,,"InChI=1S/C9H12O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-4,6,10-12H,1-2,5H2",DPTPQXXDBLPEOP-UHFFFAOYSA-N
BMGC_DG01086,BMG_DG009987,C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC(=CC=C3)C(=O)O)F,c1ccc(C(O)=O)cc1-c2noc(n2)-c3ccccc3F,"InChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)",OOUGLTULBSNHNF-UHFFFAOYSA-N
BMGC_DG01087,BMG_DG009989,C(=O)C(C(=O)O)O,,"InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1-2,5H,(H,6,7)",QWBAFPFNGRFSFB-UHFFFAOYSA-N
BMGC_DG01088,BMG_DG009991,,C(CC)C(C(=O)c1ccc(cc1)Br)N2CCCC2,,RAHKQMUBMIJUFG-UHFFFAOYSA-N
BMGC_DG01089,BMG_DG009996,,,,
BMGC_DG01090,BMG_DG009999,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)CO)O,C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])[C@H](C[C@@]4(CO)[C@@]3([H])CC[C@@H]4C(CO)=O)O)=CC(=O)C1,"InChI=1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1",HFSXHZZDNDGLQN-ZVIOFETBSA-N
BMGC_DG01091,BMG_DG010006,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC(=C2Cl)O)Cl,c1(ccccc1Nc2c(ccc(c2Cl)O)Cl)CC(O)=O,"InChI=1S/C14H11Cl2NO3/c15-9-5-6-11(18)13(16)14(9)17-10-4-2-1-3-8(10)7-12(19)20/h1-6,17-18H,7H2,(H,19,20)",HYPJZSYXUWYJDG-UHFFFAOYSA-N
BMGC_DG01092,BMG_DG010010,CC1=CC(=C2CCN(C2=N1)C3=C(C=C(C=C3)OC)C)N4C=CC(=N4)N5CCNC5=O,c1(C)cc(OC)ccc1N2CCc3c(cc(nc23)C)-n4ccc(n4)N5CCNC5=O,"InChI=1S/C22H24N6O2/c1-14-12-16(30-3)4-5-18(14)26-9-6-17-19(13-15(2)24-21(17)26)28-10-7-20(25-28)27-11-8-23-22(27)29/h4-5,7,10,12-13H,6,8-9,11H2,1-3H3,(H,23,29)",JFHJGXQFESYQGY-UHFFFAOYSA-N
BMGC_DG01093,BMG_DG010017,CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CC=C(C=C3)CNCC4=NNN=C4)F,C1[C@@H](OC(=O)N1c2ccc(-c3ccc(cc3)CNCc4[nH]nnc4)c(c2)F)CNC(C)=O,"InChI=1S/C22H23FN6O3/c1-14(30)25-12-19-13-29(22(31)32-19)18-6-7-20(21(23)8-18)16-4-2-15(3-5-16)9-24-10-17-11-26-28-27-17/h2-8,11,19,24H,9-10,12-13H2,1H3,(H,25,30)(H,26,27,28)/t19-/m0/s1",BTTNOGHPGJANSW-IBGZPJMESA-N
BMGC_DG01094,BMG_DG010018,CSC1=CC=CC=C1N2CCN(CC2)CCCCCC(=O)NC3CCCC4=CC=CC=C34,,"InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)",JNBBJUHCODFLEG-UHFFFAOYSA-N
BMGC_DG01095,BMG_DG010024,CCOC(=O)C1(CCN(CC1)CCC(C2=CC=CC=C2)O)C3=CC=CC=C3,C1(c2ccccc2)(CCN(CCC(c3ccccc3)O)CC1)C(OCC)=O,"InChI=1S/C23H29NO3/c1-2-27-22(26)23(20-11-7-4-8-12-20)14-17-24(18-15-23)16-13-21(25)19-9-5-3-6-10-19/h3-12,21,25H,2,13-18H2,1H3",IPOPQVVNCFQFRK-UHFFFAOYSA-N
BMGC_DG01096,BMG_DG010025,C[C@@H]([C@@H](CC1=CC=C(C=C1)Cl)C2=CC=CC(=C2)C#N)NC(=O)C(C)(C)OC3=NC=C(C=C3)C(F)(F)F,c1(cc(ccc1)C#N)[C@@H]([C@@H](NC(C(Oc2ncc(C(F)(F)F)cc2)(C)C)=O)C)Cc3ccc(cc3)Cl,"InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1",QLYKJCMUNUWAGO-GAJHUEQPSA-N
BMGC_DG01097,BMG_DG010028,C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)Cl)C4=CC=NC=C4,,"InChI=1S/C21H16ClN5OS/c22-16-5-4-6-17(13-16)24-19(28)14-29-21-26-25-20(15-9-11-23-12-10-15)27(21)18-7-2-1-3-8-18/h1-13H,14H2,(H,24,28)",PFPSZGPAQFBVHZ-UHFFFAOYSA-N
BMGC_DG01098,BMG_DG010033,,,,
BMGC_DG01099,BMG_DG010038,,N(C(=O)N[C@H]1[C@@H](CCCC1)CN2C[C@@H](CCC2)Cc3ccc(cc3)F)c4cc(ccc4)C(=O)C,,ASRDPULQBHFPGU-WFIHMLKPSA-N
BMGC_DG01100,BMG_DG010040,CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-],C(c1ccc(cc1)N2CCN(CC2)Cc3c(cccc3)-c4ccc(cc4)Cl)(=O)NS(=O)(=O)c5cc(c(cc5)N[C@H](CCN(C)C)CSc6ccccc6)[N+](=O)[O-],"InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1",HPLNQCPCUACXLM-PGUFJCEWSA-N
BMGC_DG01101,BMG_DG010053,,C(NC)c1oc(cc1)-c2cccnc2,,MDGMPFRIYUFRRX-UHFFFAOYSA-N
BMGC_DG01102,BMG_DG010065,C(CS(=O)(=O)O)N,S(CCN)(=O)(=O)O,"InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)",XOAAWQZATWQOTB-UHFFFAOYSA-N
BMGC_DG01103,BMG_DG010066,CC1=CCC(CC1)(C(C)C)O,C1(C(C)C)(CCC(C)=CC1)O,"InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3",WRYLYDPHFGVWKC-UHFFFAOYSA-N
BMGC_DG01104,BMG_DG010083,,c1ccc(C2(n3cncn3)c4ccccc4-c5ccccc25)cc1,,KVOFEYRUEAXEJQ-UHFFFAOYSA-N
BMGC_DG01105,BMG_DG010094,CN1N=C(N=N1)C2=NC=C(C=C2)C3=C(C=C(C=C3)N4C[C@@H](OC4=O)CO)F,[C@H]1(CO)CN(C(O1)=O)c2ccc(c(c2)F)-c3cnc(cc3)-c4nn(nn4)C,"InChI=1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1",XFALPSLJIHVRKE-GFCCVEGCSA-N
BMGC_DG01106,BMG_DG010095,CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C,n1cnc(Oc2ccc3c(c2F)cc([nH]3)C)c4n1cc(c4C)OC[C@H](O)C,"InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1",WCWUXEGQKLTGDX-LLVKDONJSA-N
BMGC_DG01107,BMG_DG010098,C1=CC(=CC=C1C[C@@H](C(=O)O)N)[N+](CCCl)(CCCl)[O-].Cl.Cl,[O-][N+](CCCl)(CCCl)c1ccc(C[C@H](N)C(O)=O)cc1.Cl.Cl,"InChI=1S/C13H18Cl2N2O3.2ClH/c14-5-7-17(20,8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19;;/h1-4,12H,5-9,16H2,(H,18,19);2*1H/t12-;;/m0../s1",GIGCDIVNDFQKRA-LTCKWSDVSA-N
BMGC_DG01108,BMG_DG010104,C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)N,,"InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10-,11+,12-,13+,14+,15-,17?,18?/m1/s1",QGJUIPDUBHWZPV-KFHUQKARSA-N
BMGC_DG01109,BMG_DG010107,CCO[C@H](COC1=CC=C(C=C1)C(F)(F)F)CSC2=CC(=C(C=C2)OCC(=O)O)C,c1(c(C)cc(cc1)SC[C@H](OCC)COc2ccc(cc2)C(F)(F)F)OCC(O)=O,"InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1",JWHYSEDOYMYMNM-QGZVFWFLSA-N
BMGC_DG01110,BMG_DG010114,CN1CC2=C(C=CC(=C2)Cl)N3C(=NN=C3C4CCN(CC4)C5=CC=CC=N5)C1,CN1Cc2n(-c3c(C1)cc(Cl)cc3)c(nn2)C4CCN(CC4)c5ccccn5,"InChI=1S/C21H23ClN6/c1-26-13-16-12-17(22)5-6-18(16)28-20(14-26)24-25-21(28)15-7-10-27(11-8-15)19-4-2-3-9-23-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3",LXHAZNJVVVBJIF-UHFFFAOYSA-N
BMGC_DG01111,BMG_DG010120,CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCCCC(=O)O[C@H]3CN4CCC3CC4,C(CCCCCN1C[C@@H]([C@@H](CC1)NC(=O)c2c(cc(c(c2)Cl)N)OC)OC)(O[C@H]3CN4CCC3CC4)=O,"InChI=1S/C27H41ClN4O5/c1-35-23-15-21(29)20(28)14-19(23)27(34)30-22-9-13-31(17-25(22)36-2)10-5-3-4-6-26(33)37-24-16-32-11-7-18(24)8-12-32/h14-15,18,22,24-25H,3-13,16-17,29H2,1-2H3,(H,30,34)/t22-,24+,25+/m1/s1",VGDDOIZXGFJDRC-VJTSUQJLSA-N
BMGC_DG01112,BMG_DG010121,,n1c(nc(c2ccccc12)N(C)C)N[C@H]3CC[C@H](CC3)NCCc4c(cc(cc4)Br)OC(F)(F)F,,FWKVXHBRMCTKHZ-KDURUIRLSA-N
BMGC_DG01113,BMG_DG010123,CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)C#N)NC(=O)/C=C/CN(C)C,N(c1c2c(cc(c(c2)NC(/C=C/CN(C)C)=O)OCC)ncc1C#N)c3cc(Cl)c(cc3)OCc4cc(F)ccc4,"InChI=1S/C31H29ClFN5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)9-6-12-38(2)3)31(21(17-34)18-35-26)36-23-10-11-28(25(32)14-23)41-19-20-7-5-8-22(33)13-20/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,35,36)(H,37,39)/b9-6+",NERXPXBELDBEPZ-RMKNXTFCSA-N
BMGC_DG01114,BMG_DG010126,,,,
BMGC_DG01115,BMG_DG010133,CN(C1=CC=C(C=C1)Cl)C2=CC=[N+](C3=CC=CC=C32)CC4=CC=C(C=C4)C5=CC=C(C=C5)C[N+]6=CC=C(C7=CC=CC=C76)N(C)C8=CC=C(C=C8)Cl,c1(ccc(cc1)C[n+]2ccc(c3ccccc23)N(C)c4ccc(cc4)Cl)-c5ccc(cc5)C[n+]6ccc(c7ccccc67)N(C)c8ccc(cc8)Cl,"InChI=1S/C46H38Cl2N4/c1-49(39-23-19-37(47)20-24-39)43-27-29-51(45-9-5-3-7-41(43)45)31-33-11-15-35(16-12-33)36-17-13-34(14-18-36)32-52-30-28-44(42-8-4-6-10-46(42)52)50(2)40-25-21-38(48)22-26-40/h3-30H,31-32H2,1-2H3/q+2",QGYGTMZEJNOHNU-UHFFFAOYSA-N
BMGC_DG01116,BMG_DG010139,COC1=CC2=C(C=C1)OC(=O)C=C2,,"InChI=1S/C10H8O3/c1-12-8-3-4-9-7(6-8)2-5-10(11)13-9/h2-6H,1H3",VKVCJIMMVPXDQD-UHFFFAOYSA-N
BMGC_DG01117,BMG_DG010145,CCCN1C=C(N=C1)C[C@H](CCCN)C(=O)O,c1nc(cn1CCC)C[C@@H](C(=O)O)CCCN,"InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1",OTDGPKRCQXSTPV-JTQLQIEISA-N
BMGC_DG01118,BMG_DG010152,CCCC(C(=O)C1=CC2=CC=CC=C2C=C1)N3CCCC3,C(C(CCC)N1CCCC1)(=O)c2cc3ccccc3cc2,"InChI=1S/C19H23NO/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3",DTNUPBSOODGRKW-UHFFFAOYSA-N
BMGC_DG01119,BMG_DG010159,C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34CC5CC(C3)CC(C5)(C4)O)N,N1([C@@]2([C@](C[C@H]1C#N)(C2)[H])[H])C(=O)[C@@H](N)C34CC5(CC(C3)CC(C4)C5)O,"InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1",QGJUIPDUBHWZPV-SGTAVMJGSA-N
BMGC_DG01120,BMG_DG010170,,N(C(=O)c1cc(C#N)ccc1)c2n(nc(c2)-c3ccccc3)-c4ccccc4,,BKUIZWILNWHFHD-UHFFFAOYSA-N
BMGC_DG01121,BMG_DG010173,,N1(CCC(CC1)C(=O)O)Cc2ccc(cc2)Oc3sc4c(n3)cccc4,,BUZBVOKDNAZIIM-UHFFFAOYSA-N
BMGC_DG01122,BMG_DG010174,,,,
BMGC_DG01123,BMG_DG010184,C1=CC(=C(N=C1)C2=CC3=C(C=C2)C(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)C(F)(F)F,c12ncnc(c1ccc(c2)-c3c(cccn3)C(F)(F)F)Nc4ccc(cc4)C(F)(F)F,"InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)31-19-15-8-3-12(10-17(15)29-11-30-19)18-16(21(25,26)27)2-1-9-28-18/h1-11H,(H,29,30,31)",VTANGSDRFFLTSQ-UHFFFAOYSA-N
BMGC_DG01124,BMG_DG010190,C(=O)([O-])[O-].[Fe+2],C([O-])([O-])=O.[Fe+2],"InChI=1S/CH2O3.Fe/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",RAQDACVRFCEPDA-UHFFFAOYSA-L
BMGC_DG01125,BMG_DG010192,COC1=C(C=C(C=C1)CS(=O)(=O)/C=C/C2=C(C=C(C=C2OC)OC)OC)OP(=O)(O)O,O=S(=O)(Cc1ccc(OC)c(OP(=O)(O)O)c1)/C=C/c2c(OC)cc(OC)cc2OC,"InChI=1S/C19H23O10PS/c1-25-14-10-17(27-3)15(18(11-14)28-4)7-8-31(23,24)12-13-5-6-16(26-2)19(9-13)29-30(20,21)22/h5-11H,12H2,1-4H3,(H2,20,21,22)/b8-7+",LXENKEWVEVKKGV-BQYQJAHWSA-N
BMGC_DG01126,BMG_DG010195,,n1[nH]c2c(c1NC(c3ccc(cc3)N4CCN(CC4)C)=O)CN(C2)C(=O)Nc5c(cccc5CC)CC,,OBWNXGOQPLDDPS-UHFFFAOYSA-N
BMGC_DG01127,BMG_DG010201,C[C@]12CCN([C@H]1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)C,[C@@]12([C@](N(c3c1cc(OC(Nc4ccccc4)=O)cc3)C)(N(CC2)C)[H])C,"InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m0/s1",PBHFNBQPZCRWQP-AZUAARDMSA-N
BMGC_DG01128,BMG_DG010211,CC1=CC(=CC(=C1C[C@@H](C(=O)N(CC2=CC(=C(C=C2)OC)C(=O)O)[C@@H](C)C3=NC=C(N3)C4=CC=CC=C4)N)C)C(=O)N,C(c1c(ccc(c1)CN([C@@H](C)c2nc(c[nH]2)-c3ccccc3)C([C@H](Cc4c(cc(cc4C)C(=O)N)C)N)=O)OC)(=O)O,"InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1",QFNHIDANIVGXPE-FNZWTVRRSA-N
BMGC_DG01129,BMG_DG010310,CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)C[C@@H](C3=CC=CC=C3)NCCCC(=O)O)C4=C(C(=CC=C4)OC)F,c1ccc(c(c1OC)F)-c2c(n(C[C@H](NCCCC(O)=O)c3ccccc3)c(=O)n(c2C)Cc4c(cccc4C(F)(F)F)F)=O,"InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1",HEAUOKZIVMZVQL-VWLOTQADSA-N
BMGC_DG01130,BMG_DG010312,C1[C@H](CN([C@@H]1CNC(=O)C2=CC=C(C=C2)/C=C\3/C(=O)NC(=O)S3)C(=O)C4=CC=CC=C4C(=O)C5=C(C=C(C=C5)F)F)SC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8,,"InChI=1S/C49H37F2N3O5S2/c50-36-24-25-41(42(51)27-36)44(55)39-18-10-11-19-40(39)47(58)54-30-38(28-37(54)29-52-45(56)32-22-20-31(21-23-32)26-43-46(57)53-48(59)60-43)61-49(33-12-4-1-5-13-33,34-14-6-2-7-15-34)35-16-8-3-9-17-35/h1-27,37-38H,28-30H2,(H,52,56)(H,53,57,59)/b43-26-/t37-,38+/m0/s1",XSCZRVUQXBBTRO-GYCZXHFISA-N
BMGC_DG01131,BMG_DG010323,B([C@@H]1CCCN1C(=O)CN[C@@H]2CCNC2)(O)O,OB([C@@H]1CCCN1C(CN[C@H]2CNCC2)=O)O,"InChI=1S/C10H20BN3O3/c15-10(7-13-8-3-4-12-6-8)14-5-1-2-9(14)11(16)17/h8-9,12-13,16-17H,1-7H2/t8-,9+/m1/s1",DVJAMEIQRSHVKC-BDAKNGLRSA-N
BMGC_DG01132,BMG_DG010338,CC(C)(C)C1=CC2=C(C=C1)[C@@H](CC2)NC(=O)NC3=CC=CC4=C3C=NN4,c1c2[nH]ncc2c(cc1)NC(N[C@H]3c4c(CC3)cc(cc4)C(C)(C)C)=O,"InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1",TYOYXJNGINZFET-GOSISDBHSA-N
BMGC_DG01133,BMG_DG010339,C1C[C@@H](C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3,c1cnc2[C@H](CCCc2c1)N(Cc3[nH]c4c(n3)cccc4)CCCCN,"InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1",WVLHHLRVNDMIAR-IBGZPJMESA-N
BMGC_DG01134,BMG_DG010340,CC1=C2C=C(C=CC2=C(C(=N1)C(=O)NCC(=O)O)O)OC3=CC=CC=C3,c1c(cc2c(c1)c(c(nc2C)C(NCC(O)=O)=O)O)Oc3ccccc3,"InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)",YOZBGTLTNGAVFU-UHFFFAOYSA-N
BMGC_DG01135,BMG_DG010341,C1CN(CCN1)C2=CC=CC3=CC(=CN=C32)S(=O)(=O)C4=CC=CC=C4,c1(cccc2c1ncc(c2)S(=O)(=O)c3ccccc3)N4CCNCC4,"InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2",JJZFWROHYSMCMU-UHFFFAOYSA-N
BMGC_DG01136,BMG_DG010343,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N,c1(ccc(cc1)N)S(c2ccc(NC(C)=O)cc2)(=O)=O,"InChI=1S/C14H14N2O3S/c1-10(17)16-12-4-8-14(9-5-12)20(18,19)13-6-2-11(15)3-7-13/h2-9H,15H2,1H3,(H,16,17)",WDOCBIHNYYQINH-UHFFFAOYSA-N
BMGC_DG01137,BMG_DG010345,C[C@@H]1CCC(=O)[C@@H]([C@@]1(C)/C=C/C(=C/CC2=C(C(=C(C(=C2O)Cl)C)C=O)O)/C)C,C(c1c(O)c(c(C)c(C=O)c1O)Cl)/C=C(\C)/C=C/[C@]2([C@H](C)CCC(=O)[C@@H]2C)C,"InChI=1S/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m1/s1",SETVRSKZJJWOPA-FLDGXQSCSA-N
BMGC_DG01138,BMG_DG010349,CC1=C(C=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2)N,S(NC(NC1CCCCC1)=O)(c2cc(N)c(cc2)C)(=O)=O,"InChI=1S/C14H21N3O3S/c1-10-7-8-12(9-13(10)15)21(19,20)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6,15H2,1H3,(H2,16,17,18)",XXYTXQGCRQLRHA-UHFFFAOYSA-N
BMGC_DG01139,BMG_DG010351,C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC4=C(S3)C=CC(=C4)CNCCC(=O)O)C(F)(F)F,,"InChI=1S/C25H20F3NO2S/c26-25(27,28)21-13-18(7-8-20(21)17-4-2-1-3-5-17)23-14-19-12-16(6-9-22(19)32-23)15-29-11-10-24(30)31/h1-9,12-14,29H,10-11,15H2,(H,30,31)",SKYYWSWIUKISCX-UHFFFAOYSA-N
BMGC_DG01140,BMG_DG010406,CN(C)C1=CC=C(C=C1)C(=O)NCCCCCNC(=O)CS,,"InChI=1S/C16H25N3O2S/c1-19(2)14-8-6-13(7-9-14)16(21)18-11-5-3-4-10-17-15(20)12-22/h6-9,22H,3-5,10-12H2,1-2H3,(H,17,20)(H,18,21)",SGOHSANPZHQNKM-UHFFFAOYSA-N
BMGC_DG01141,BMG_DG010415,C[C@@H]1C[C@H]2[C@H](O2)/C=C\C=C\C(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1,,"InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15+/m1/s1",WYZWZEOGROVVHK-HBUVGVEXSA-N
BMGC_DG01142,BMG_DG010416,,Oc1c2c3c(c(oc2cc(c1)C(CCCCCC)(C)C)=O)ccc(c3)OC,,ZAIKPEWFCSQNQB-UHFFFAOYSA-N
BMGC_DG01143,BMG_DG010417,,O=C(c1c2ccccc2ccc1OC)c3cn(CCCCC)c4c3cccc4,,BWBLGFVKOJDYSU-UHFFFAOYSA-N
BMGC_DG01144,BMG_DG010420,C1=C(SC(=C1)Cl)S(=O)(=O)N[C@H](CO)C(C(F)(F)F)C(F)(F)F,c1(S(=O)(=O)N[C@@H](C(C(F)(F)F)C(F)(F)F)CO)ccc(s1)Cl,"InChI=1S/C9H8ClF6NO3S2/c10-5-1-2-6(21-5)22(19,20)17-4(3-18)7(8(11,12)13)9(14,15)16/h1-2,4,7,17-18H,3H2/t4-/m1/s1",PSXOKXJMVRSARX-SCSAIBSYSA-N
BMGC_DG01145,BMG_DG010423,,,,
BMGC_DG01146,BMG_DG010424,,C([C@@]1([C@H](C)CC=C2[C@](CCC[C@]21[H])(C)CCCC(=C)C)C)[C@H](C3=CC(=O)O[C@H]3O)O,,JOYRNJIWPUZFBJ-IWTVZHICSA-N
BMGC_DG01147,BMG_DG010430,,,,
BMGC_DG01148,BMG_DG010431,CCCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)C(F)(F)F)N(C1=O)CC,[nH]1c(nc2n(c(n(c(c12)=O)CCC)=O)CC)-c3cnn(c3)Cc4cc(ccc4)C(F)(F)F,"InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)",KOYXXLLNCXWUNF-UHFFFAOYSA-N
BMGC_DG01149,BMG_DG010442,C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,C[C@]12CCC(=O)C(=C1CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@@]32[H])O,"InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,22H,3-10H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1",OSVMTWJCGUFAOD-KZQROQTASA-N
BMGC_DG01150,BMG_DG010444,CCNC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[C@@H](O4)/C=C/C5=CC=CC=C5,O(C[C@@H]1[C@@]2([C@]([C@H](n3c4ncnc(c4nc3)NC(NCC)=O)O1)(O[C@H](O2)/C=C/c5ccccc5)[H])[H])P(O)(=O)O,"InChI=1S/C22H25N6O8P/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29)/b9-8+/t14-,15+,17-,18-,21-/m1/s1",NXHAXEBZOXCDKD-XIXRRVGJSA-N
BMGC_DG01151,BMG_DG010455,,C(N[C@@H](C(C)(C)C)C(=O)N[C@H](C[C@@H]([C@H](Cc1ccccc1)NC([C@H](C(C)(C)C)N2CCN(C2=O)Cc3ccccc3)=O)O)Cc4ccc(cc4)-c5ccccn5)(=O)OC,,KMAMPFGXPHTYPQ-KMHPXQNHSA-N
BMGC_DG01152,BMG_DG010480,,n1(c(cc([nH]c1=O)=O)N2C[C@@H](CCC2)N)Cc3ccccc3C#N,,KYXUNUKTHMZSLE-CQSZACIVSA-N
BMGC_DG01153,BMG_DG010491,,C(=O)(c1c2c(n(CCCCC)c1C)cccc2)c3c4c(ccc3)ccc(C)c4,,HSGMJSSWGKDWNA-UHFFFAOYSA-N
BMGC_DG01154,BMG_DG010495,CC(C)[C@@H](OC(=O)C(C)C)OC(=O)NC[C@H](CC(=O)O)C1=CC=C(C=C1)Cl,C([C@@H](OC(C(C)C)=O)OC(=O)NC[C@@H](c1ccc(cc1)Cl)CC(O)=O)(C)C,"InChI=1S/C19H26ClNO6/c1-11(2)17(24)26-18(12(3)4)27-19(25)21-10-14(9-16(22)23)13-5-7-15(20)8-6-13/h5-8,11-12,14,18H,9-10H2,1-4H3,(H,21,25)(H,22,23)/t14-,18-/m0/s1",JXTAALBWJQJLGN-KSSFIOAISA-N
BMGC_DG01155,BMG_DG010502,,C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@](CC4)([C@@H](CCC(O)=O)C)[H])[H])([C@H]([C@@H]([C@@]1(C[C@@H](CC2)O)[H])CC)O)[H])[H],,ZXERDUOLZKYMJM-BQSOCLIVSA-N
BMGC_DG01156,BMG_DG010506,C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6,C(NCc1ccc2c(OCO2)c1)(=S)N3CCN(CC3)c4c5c(ncn4)c6c(o5)cccc6,"InChI=1S/C23H21N5O3S/c32-23(24-12-15-5-6-18-19(11-15)30-14-29-18)28-9-7-27(8-10-28)22-21-20(25-13-26-22)16-3-1-2-4-17(16)31-21/h1-6,11,13H,7-10,12,14H2,(H,24,32)",FOFDIMHVKGYHRU-UHFFFAOYSA-N
BMGC_DG01157,BMG_DG010519,C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)CC=C)(C)C)O)C3=CC4=C(C=C3)SC(=N4)C)C,C[C@@]12[C@@](O1)(C[C@](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](CC=C)[C@@H](O)[C@@H](C)CCC2)(c3cc4c(cc3)sc(C)n4)[H])[H],"InChI=1S/C30H41NO6S/c1-7-9-20-27(34)17(2)10-8-13-30(6)25(37-30)15-22(19-11-12-23-21(14-19)31-18(3)38-23)36-26(33)16-24(32)29(4,5)28(20)35/h7,11-12,14,17,20,22,24-25,27,32,34H,1,8-10,13,15-16H2,2-6H3/t17-,20+,22-,24-,25-,27-,30+/m0/s1",BFZKMNSQCNVFGM-UCEYFQQTSA-N
BMGC_DG01158,BMG_DG010526,CC1=C2C(=C(C3=CC=CC=C13)CO)C=CC4=CC=CC=C42,c12c(c(c3ccccc3c1C)CO)ccc4c2cccc4,"InChI=1S/C20H16O/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11,21H,12H2,1H3",JCBBZYDVQJQMMB-UHFFFAOYSA-N
BMGC_DG01159,BMG_DG010528,COCCN1CCN(CC1)CC2=CC=C(C=C2)C3=NNC4=C3C(=O)C5=C4C=CC=C5NC(=O)NN6CCOCC6,N(C(=O)NN1CCOCC1)c2c3C(c4c([nH]nc4-c5ccc(cc5)CN6CCN(CC6)CCOC)-c3ccc2)=O,"InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38)",XLSYZSRXVVCHLS-UHFFFAOYSA-N
BMGC_DG01160,BMG_DG010532,CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)NS(=O)(=O)C6CC6,C([C@@]12NC(=O)[C@@]3(C[C@@H](OC(N4Cc5c(cccc5C4)F)=O)CN3C(=O)[C@@H](NC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]2C1)[H])(=O)NS(C6CC6)(=O)=O,"InChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1",ZVTDLPBHTSMEJZ-JSZLBQEHSA-N
BMGC_DG01161,BMG_DG010535,CCCCOCCOC1=CC=C(C=C1)C2=CC/3=C(C=C2)N(CCC/C(=C3)/C(=O)NC4=CC=C(C=C4)[S@@](=O)CC5=CN=CN5CCC)CC(C)C,C(C(C)C)N1c2c(/C=C(\CCC1)/C(=O)Nc3ccc(cc3)[S@@+]([O-])Cc4n(cnc4)CCC)cc(cc2)-c5ccc(cc5)OCCOCCCC,"InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1",PNDKCRDVVKJPKG-WHERJAGFSA-N
BMGC_DG01162,BMG_DG010550,,NNc1ccc(S(N)(=O)=O)cc1Cl,,MIIRMBFCBFPOKU-UHFFFAOYSA-N
BMGC_DG01163,BMG_DG010553,CC1=C(C(=CC=C1)[C@H](C)C2=CNC(=S)N2)C,c1([nH]c(c[nH]1)[C@@H](C)c2c(c(ccc2)C)C)=S,"InChI=1S/C13H16N2S/c1-8-5-4-6-11(9(8)2)10(3)12-7-14-13(16)15-12/h4-7,10H,1-3H3,(H2,14,15,16)/t10-/m0/s1",WQXVKEDUCPMRRI-JTQLQIEISA-N
BMGC_DG01164,BMG_DG010558,COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OC,C(=C(c1ccc(cc1)OC)Cl)(c2ccc(cc2)OC)c3ccc(cc3)OC,"InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3",BFPSDSIWYFKGBC-UHFFFAOYSA-N
BMGC_DG01165,BMG_DG010568,,,,
BMGC_DG01166,BMG_DG010569,,CCC(CC)C(=O)Nc1nc(-c2ccccc2)cc(-c3ccccc3)n1,,YOARGGKKYZIYSU-UHFFFAOYSA-N
BMGC_DG01167,BMG_DG010570,CN1CCC2=C(C1)C(C3=CC=CC=C23)C4=CC=CC=C4,C12=C(c3ccccc3C1c4ccccc4)CCN(C2)C,"InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3",ISFHAYSTHMVOJR-UHFFFAOYSA-N
BMGC_DG01168,BMG_DG010573,C1CNCCN(C1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F,O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N4CCCNCC4,"InChI=1S/C21H21FN4O2/c22-18-7-6-14(12-17(18)21(28)26-10-3-8-23-9-11-26)13-19-15-4-1-2-5-16(15)20(27)25-24-19/h1-2,4-7,12,23H,3,8-11,13H2,(H,25,27)",HGEPGGJUGUMFHT-UHFFFAOYSA-N
BMGC_DG01169,BMG_DG010576,CC1=C(C2=C(C=CC=C2N1CC(=O)O)NC(=O)C)SC3=CC=C(C=C3)Cl,CC(=O)Nc1cccc2c1c(c(n2CC(O)=O)C)Sc3ccc(cc3)Cl,"InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25)",JWYIGNODXSRKGP-UHFFFAOYSA-N
BMGC_DG01170,BMG_DG010581,CC1=NC2=C(C=C1)C(=CC=C2)N3CCN(CC3)CCC4=CC(=CC=C4)N5CCNC5=O,N1(C(NCC1)=O)c2cccc(CCN3CCN(c4c5c(ccc4)nc(cc5)C)CC3)c2,"InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31)",ANGUXJDGJCHGOG-UHFFFAOYSA-N
BMGC_DG01171,BMG_DG010588,C1CC(C1)N(CCCC2=CNC3=C2C=C(C=C3)F)C4CC5=C(C=CC(=C5OC4)F)C(=O)N,,"InChI=1S/C25H27F2N3O2/c26-16-6-9-23-20(11-16)15(13-29-23)3-2-10-30(17-4-1-5-17)18-12-21-19(25(28)31)7-8-22(27)24(21)32-14-18/h6-9,11,13,17-18,29H,1-5,10,12,14H2,(H2,28,31)",PTXOOZZUDQZJHO-UHFFFAOYSA-N
BMGC_DG01172,BMG_DG010598,,C(/C=C/c1cc(cc2c(cn(c12)Cc3c(cc(cc3)Cl)Cl)C)F)(=O)NS(=O)(=O)c4cc(c(s4)Cl)Cl,,BFBTVZNKWXWKNZ-HWKANZROSA-N
BMGC_DG01173,BMG_DG010599,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O[C@@H]6CCCCO6,O[C@]1(C(CO)=O)C[C@]([H])(O[C@H]2C[C@H](N)[C@H](O[C@]3([H])CCCCO3)[C@H](C)O2)c4c(C1)c(O)c5C(=O)c6cccc(OC)c6C(=O)c5c4O,"InChI=1S/C32H37NO12/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3/t14-,17-,19-,21+,22-,31+,32-/m0/s1",KMSKQZKKOZQFFG-YXRRJAAWSA-N
BMGC_DG01174,BMG_DG010602,,[nH]1cc(CCN)c2c1cccc2O,,FKIRTWDHOWAQGX-UHFFFAOYSA-N
BMGC_DG01175,BMG_DG010619,,SCCCCCCOc1ccccc1,,QUBILGABLBGKPV-UHFFFAOYSA-N
BMGC_DG01176,BMG_DG010632,,c1c(ccc(c1)C(C(CCC)N2CCCC2)=O)OC,,HWYVHRCKBXGZLV-UHFFFAOYSA-N
BMGC_DG01177,BMG_DG010633,CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO,[n+]1(c(c(CCO)sc1)C)Cc2c(nc(nc2)C)N,"InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1",JZRWCGZRTZMZEH-UHFFFAOYSA-N
BMGC_DG01178,BMG_DG010652,C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,C[C@]12CCC(=O)C[C@@]1([H])CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@@]32[H],"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1",NVKAWKQGWWIWPM-MISPCMORSA-N
BMGC_DG01179,BMG_DG010655,,c1(ccc2c(o1)cc3c(c2OCCCCOc4ccccc4)cco3)=O,,KINMYBBFQRSVLL-UHFFFAOYSA-N
BMGC_DG01180,BMG_DG010656,,c1(c(ccc(c1O)C(/C=C/c2ccc(cc2)O)=O)OC)CC(O)C(=C)C,,YSOKENZJQWPLRA-UXBLZVDNSA-N
BMGC_DG01181,BMG_DG010663,,c12c(c(ccc1C)C)cccc2,,APQSQLNWAIULLK-UHFFFAOYSA-N
BMGC_DG01182,BMG_DG010667,,,,
BMGC_DG01183,BMG_DG010669,CN(C1=C(N=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F)N)C(=O)OC,c1cnc2c(c1)c(nn2Cc3c(cccc3)F)-c4nc(c(c(n4)N)N(C(OC)=O)C)N,"InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)",WXXSNCNJFUAIDG-UHFFFAOYSA-N
BMGC_DG01184,BMG_DG010670,,,,
BMGC_DG01185,BMG_DG010671,C1=CC=C2C(=C1)C(=CC=C2O)O,c12c(c(ccc1O)O)cccc2,"InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H",PCILLCXFKWDRMK-UHFFFAOYSA-N
BMGC_DG01186,BMG_DG010677,,c12c(c(ccc1)C)cccc2C,,SDDBCEWUYXVGCQ-UHFFFAOYSA-N
BMGC_DG01187,BMG_DG010681,C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N,O=C(N1Cc2nnc(n2CC1)C(F)(F)F)CC(N)Cc3cc(F)c(F)cc3F,"InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2",MFFMDFFZMYYVKS-UHFFFAOYSA-N
BMGC_DG01188,BMG_DG010704,,O=Cc1c(O)c2c3N(CCC2)CCCc3c1,,NRZXBDYODHLZBF-UHFFFAOYSA-N
BMGC_DG01189,BMG_DG010709,,OC(=O)CC[C@H](CCCS)C(O)=O,,FNLNSQHJKVQCBP-LURJTMIESA-N
BMGC_DG01190,BMG_DG010714,,[nH]1cc(c2cc(ccc12)C#N)[C@@H]3[C@H](C3)CN(C)C,,DEMWBYUAYXJYOC-NEPJUHHUSA-N
BMGC_DG01191,BMG_DG010716,,C(C(CCC)N1CCCC1)(=O)c2ccccc2C,,VVIVTDYOMWHKAE-UHFFFAOYSA-N
BMGC_DG01192,BMG_DG010717,,O=c1cc(OCCn2ccnc2)c3ccccc3o1,,MXJNKMWQNZHBOE-UHFFFAOYSA-N
BMGC_DG01193,BMG_DG010718,,[C@H]1([C@H]([C@@]([C@@H](O1)n2ccc([nH]c2=O)=O)(C)F)O)CO,,ARKKGZQTGXJVKW-VPCXQMTMSA-N
BMGC_DG01194,BMG_DG010726,,CC(C)C(=O)Nc1cc(-c2ccccc2)nc(-c3ccccc3)n1,,ONJOWWUQGQUDTK-UHFFFAOYSA-N
BMGC_DG01195,BMG_DG010729,C1=CC=C(C=C1)CN2C(=O)N(SC2=O)C3=CC=CC4=CC=CC=C43,O=c1n(-c2c3c(cccc3)ccc2)sc(=O)n1Cc4ccccc4,"InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2",PMJIHLSCWIDGMD-UHFFFAOYSA-N
BMGC_DG01196,BMG_DG010731,,CN1CCC(CC1)Cc2cnc[nH]2,,KIAVPENCSGKVQP-UHFFFAOYSA-N
BMGC_DG01197,BMG_DG010739,,Cc1c2c([nH]n1)ccc(c2)-c3cc(cnc3)OC[C@@H](N)Cc4ccccc4,,BPNUQXPIQBZCMR-IBGZPJMESA-N
BMGC_DG01198,BMG_DG010745,C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4,c1(NCc2ccncc2)c(C(=O)Nc3ccc(cc3)C4(CCCC4)C#N)cccn1,"InChI=1S/C24H23N5O/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30)",WPEWQEMJFLWMLV-UHFFFAOYSA-N
BMGC_DG01199,BMG_DG010751,,c1ccc2c(c1)c(c(cc2)O)Br,,FQJZPYXGPYJJIH-UHFFFAOYSA-N
BMGC_DG01200,BMG_DG010756,,CC(CN1CCOc2c(-c3ccc(Cl)cc3)n(-c4ccccc4Cl)nc2C1=O)(F)F,,FJMQJSUOOGOWBD-UHFFFAOYSA-N
BMGC_DG01201,BMG_DG010757,,c12c(ccc(c1C)C)cccc2,,QNLZIZAQLLYXTC-UHFFFAOYSA-N
BMGC_DG01202,BMG_DG010760,,N(C(=O)Nc1c(cc(cc1)Oc2ccnc3cc(c(cc23)OC)OC)F)c4c(cc(cc4)F)F,,LFKQSJNCVRGFCC-UHFFFAOYSA-N
BMGC_DG01203,BMG_DG010761,CC1=NN(C=N1)C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)OC,N1(CCN(CC1)C(C(=O)c2c[nH]c3c(ncc(c32)OC)-n4nc(nc4)C)=O)C(c5ccccc5)=O,"InChI=1S/C24H23N7O4/c1-15-27-14-31(28-15)22-20-19(18(35-2)13-26-22)17(12-25-20)21(32)24(34)30-10-8-29(9-11-30)23(33)16-6-4-3-5-7-16/h3-7,12-14,25H,8-11H2,1-2H3",QRPZBKAMSFHVRW-UHFFFAOYSA-N
BMGC_DG01204,BMG_DG010766,C1=CC=C2C(=C1)C=CC(=C2O)O,c12c(ccc(c1O)O)cccc2,"InChI=1S/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H",NXPPAOGUKPJVDI-UHFFFAOYSA-N
BMGC_DG01205,BMG_DG010771,C[C@]1(CCCN1C(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)O,C([C@@]1(CCCN1C(=O)CN)C)(=O)N[C@H](C(=O)O)CCC(=O)O,"InChI=1S/C13H21N3O6/c1-13(5-2-6-16(13)9(17)7-14)12(22)15-8(11(20)21)3-4-10(18)19/h8H,2-7,14H2,1H3,(H,15,22)(H,18,19)(H,20,21)/t8-,13-/m0/s1",BUSXWGRAOZQTEY-SDBXPKJASA-N
BMGC_DG01206,BMG_DG010773,C1C[C@H](C(=O)N(C[C@@H]1C2=C(C(=CC=C2)F)F)CC(F)(F)F)NC(=O)N3CCC(CC3)N4C5=C(NC4=O)N=CC=C5,c1cc(c(c(c1)F)F)[C@@H]2CC[C@H](C(N(CC(F)(F)F)C2)=O)NC(=O)N3CCC(CC3)n4c5c([nH]c4=O)nccc5,"InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1",CGDZXLJGHVKVIE-DNVCBOLYSA-N
BMGC_DG01207,BMG_DG010775,CC1=NN(C=N1)C2=NC=C(C3=C2N(C=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)COP(=O)(O)O)OC,N1(CCN(CC1)C(C(=O)c2cn(c3c(ncc(c32)OC)-n4nc(nc4)C)COP(=O)(O)O)=O)C(c5ccccc5)=O,"InChI=1S/C25H26N7O8P/c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40-41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38)",SWMDAPWAQQTBOG-UHFFFAOYSA-N
BMGC_DG01208,BMG_DG010786,CC(=O)N1C2=CC=CC=C2C(=O)C1=O,c12c(C(=O)C(N1C(C)=O)=O)cccc2,"InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3",LPGDEHBASRKTDG-UHFFFAOYSA-N
BMGC_DG01209,BMG_DG010794,,O=c1ccc2cc(Cn3ccnc3)ccc2o1,,IYELJSUQTAUCCY-UHFFFAOYSA-N
BMGC_DG01210,BMG_DG010796,,C(N1CCCC1)(CCC)C(c2ccc(F)cc2)=O,,BQLSUBYYRRZHRK-UHFFFAOYSA-N
BMGC_DG01211,BMG_DG010821,CC1=CC2=C(C=CC=C2C=C1)C,c12c(ccc(c1)C)cccc2C,"InChI=1S/C12H12/c1-9-6-7-11-5-3-4-10(2)12(11)8-9/h3-8H,1-2H3",SPUWFVKLHHEKGV-UHFFFAOYSA-N
BMGC_DG01212,BMG_DG010827,C[C@](COC1=CC=C(C=C1)C#N)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O,C([C@@](COc1ccc(cc1)C#N)(C)O)(=O)Nc2ccc(c(c2)C(F)(F)F)C#N,"InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1",JNGVJMBLXIUVRD-SFHVURJKSA-N
BMGC_DG01213,BMG_DG010829,,c12c(cc(C)cc1C)cccc2,,QHJMFSMPSZREIF-UHFFFAOYSA-N
BMGC_DG01214,BMG_DG010831,,c1(cc(c2c(o1)c(ccc2)-c3cccc4c3sc5c4cccc5)=O)N6CCOCC6,,JAMULYFATHSZJM-UHFFFAOYSA-N
BMGC_DG01215,BMG_DG010833,C[C@@]1(C2=CC(=C(C=C2CCO1)OC)CN[C@H]3CCCN[C@H]3C4=CC=CC=C4)C(F)(F)F,FC(F)(F)[C@@]1(C)c2c(cc(c(c2)CN[C@@H]3[C@H](c4ccccc4)NCCC3)OC)CCO1,"InChI=1S/C24H29F3N2O2/c1-23(24(25,26)27)19-13-18(21(30-2)14-17(19)10-12-31-23)15-29-20-9-6-11-28-22(20)16-7-4-3-5-8-16/h3-5,7-8,13-14,20,22,28-29H,6,9-12,15H2,1-2H3/t20-,22-,23+/m0/s1",ODEBBNRINYMIRX-ACIOBRDBSA-N
BMGC_DG01216,BMG_DG010835,CC1=CC2=CC=CC(=C2C=C1)C,c12c(cc(C)cc1)cccc2C,"InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3",CBMXCNPQDUJNHT-UHFFFAOYSA-N
BMGC_DG01217,BMG_DG010838,C[C@@H]1CN(C[C@@H](C1(C2=CC=CC=C2)O)C)C(=O)[C@@H]3CN(C[C@H]3C4=C(C=C(C=C4)F)F)C(C)(C)C,N1(C[C@H]([C@]([C@H](C1)C)(O)c2ccccc2)C)C(=O)[C@@H]3CN(C[C@H]3c4c(cc(cc4)F)F)C(C)(C)C,"InChI=1S/C28H36F2N2O2/c1-18-14-31(15-19(2)28(18,34)20-9-7-6-8-10-20)26(33)24-17-32(27(3,4)5)16-23(24)22-12-11-21(29)13-25(22)30/h6-13,18-19,23-24,34H,14-17H2,1-5H3/t18-,19+,23-,24+,28?/m0/s1",WHPJOAUPIZDJNX-AGGGUQDCSA-N;WHPJOAUPIZDJNX-YTEQHECZSA-N
BMGC_DG01218,BMG_DG010848,,c1ccc(c(c1)N)NC(=O)c2cccnc2,,CEZRXCCXPZWXNX-UHFFFAOYSA-N
BMGC_DG01219,BMG_DG010851,,c1(c(cccc1Cl)Cl)OCC(O)=O,,KHZWIIFEFQBNKL-UHFFFAOYSA-N
BMGC_DG01220,BMG_DG010857,,NCc1ccc(-c2cccnc2)o1,,LENAVORGWBTPJR-UHFFFAOYSA-N
BMGC_DG01221,BMG_DG010860,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O)CO)O)O)O)O,[C@]1([C@H]([C@H](O[C@]2([C@@H]([C@H]([C@@H](O)[C@H](O2)CO)O)O)[H])[C@H](O1)CO)O)(O)CO,"InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1",JCQLYHFGKNRPGE-FCVZTGTOSA-N
BMGC_DG01222,BMG_DG010867,,Cc1cccc(C#CCSc2ccccc2)n1,,QPGKAVMWBQPWGX-UHFFFAOYSA-N
BMGC_DG01223,BMG_DG010874,CC1=C(C(=CC=C1)C)O,Cc1cccc(C)c1O,"InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3",NXXYKOUNUYWIHA-UHFFFAOYSA-N
BMGC_DG01224,BMG_DG010891,C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl,c1(C(NC2CCNCC2)=O)n[nH]cc1NC(c3c(Cl)cccc3Cl)=O,"InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)",OVPNQJVDAFNBDN-UHFFFAOYSA-N
BMGC_DG01225,BMG_DG010899,C1C(CN1CCCOCCC2=CC3=C(C=C2)SC=C3)O.C(=C\C(=O)O)\C(=O)O,OC(=O)/C=C\C(=O)O.N1(CC(C1)O)CCCOCCc2cc3c(scc3)cc2,"InChI=1S/C16H21NO2S.C4H4O4/c18-15-11-17(12-15)6-1-7-19-8-4-13-2-3-16-14(10-13)5-9-20-16;5-3(6)1-2-4(7)8/h2-3,5,9-10,15,18H,1,4,6-8,11-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1-",RLUCYBFCLXANSO-BTJKTKAUSA-N
BMGC_DG01226,BMG_DG010901,,C(NC)(N[C@@H]1CC[C@H](CC1)CCN2CCN(CC2)c3c(c(ccc3)Cl)Cl)=O,,WMQLLTKSISGWHQ-WKILWMFISA-N
BMGC_DG01227,BMG_DG010902,CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O,S(C(CC(=O)OCC(CCCC)CC)C(=O)OCC(CC)CCCC)(=O)(=O)O,"InChI=1S/C20H38O7S/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25)",HNSDLXPSAYFUHK-UHFFFAOYSA-N
BMGC_DG01228,BMG_DG010903,,N1(CCN(CC1)c2c(cccn2)C(F)(F)F)C(=O)Nc3ccc(cn3)C(F)(F)F,,JFRYYGVYCWYIDQ-UHFFFAOYSA-N
BMGC_DG01229,BMG_DG010909,,n1c(n(c(c2CC(CCc12)O)=O)N)CCCCN3CCN(CC3)c4nc5ccccc5cc4,,ZNOMCTSKVJJIMN-UHFFFAOYSA-N
BMGC_DG01230,BMG_DG010914,,c1c(ccc(n1)NC(c2cc(cc(c2)O[C@H](Cc3ccccc3)C)O[C@H](COC)C)=O)C(=O)O,,OCBMECSFDVUYQN-ROUUACIJSA-N
BMGC_DG01231,BMG_DG010917,CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](C2=COC(=N2)C)C(=O)N3CCOCC3)C4CC5=CC=CC=C5C4,n1c(coc1C)[C@@H](N2[C@](C(=O)N[C@H](C3Cc4c(C3)cccc4)C2=O)([H])[C@H](CC)C)C(N5CCOCC5)=O,"InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1",PLVGDGRBPMVYPB-FDUHJNRSSA-N
BMGC_DG01232,BMG_DG010941,,O=C(CCCCCCS)Nc1cccnc1,,SHPVLBRAGPXPLH-UHFFFAOYSA-N
BMGC_DG01233,BMG_DG010953,,O=C1N(C[C@H](CN)O1)c2ccc(cc2)N3C(=O)COCC3,,DEXXSYVEWAYIGZ-LBPRGKRZSA-N
BMGC_DG01234,BMG_DG010959,C[C@]12[C@H](C(=O)N[C@]1(C(=O)O2)[C@H]([C@H]3CCCC=C3)O)CCCl,O1[C@@]2([C@@](C1=O)([C@H]([C@@]3(C=CCCC3)[H])O)NC([C@@H]2CCCl)=O)C,"InChI=1S/C15H20ClNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h3,5,9-11,18H,2,4,6-8H2,1H3,(H,17,19)/t9-,10+,11+,14+,15+/m1/s1",NGWSFRIPKNWYAO-SHTIJGAHSA-N
BMGC_DG01235,BMG_DG010965,,,,
BMGC_DG01236,BMG_DG010967,C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O,c1(-c2ccccc2)oc3c(cccc3)c(c1O)=O,"InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H",HVQAJTFOCKOKIN-UHFFFAOYSA-N
BMGC_DG01237,BMG_DG010969,COC1=CC=CC(=C1)NC2=NC=NN3C2=C(C=C3)CN4CC[C@H]([C@@H](C4)O)N,[C@H]1(CCN(Cc2ccn3ncnc(c23)Nc4cccc(c4)OC)C[C@H]1O)N,"InChI=1S/C19H24N6O2/c1-27-15-4-2-3-14(9-15)23-19-18-13(5-8-25(18)22-12-21-19)10-24-7-6-16(20)17(26)11-24/h2-5,8-9,12,16-17,26H,6-7,10-11,20H2,1H3,(H,21,22,23)/t16-,17-/m1/s1",CSGQVNMSRKWUSH-IAGOWNOFSA-N
BMGC_DG01238,BMG_DG010970,,,,
BMGC_DG01239,BMG_DG010972,,Fc1cc(-c2ccc(C#N)cc2)cc(F)c1OCCCN3C[C@H](N(C)C)CC3,,DJXFZKXYKKBTDR-LJQANCHMSA-N
BMGC_DG01240,BMG_DG010976,CC1=CNC(=O)NC1=O,[nH]1c(c(C)c[nH]c1=O)=O,"InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)",RWQNBRDOKXIBIV-UHFFFAOYSA-N
BMGC_DG01241,BMG_DG010982,CC(C)(C(=O)[O-])OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.C[N+](C)(C)CCO,c1(ccc(cc1)C(c2ccc(cc2)Cl)=O)OC(C)(C)C(=O)[O-].OCC[N+](C)(C)C,"InChI=1S/C17H15ClO4.C5H14NO/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11;1-6(2,3)4-5-7/h3-10H,1-2H3,(H,20,21);7H,4-5H2,1-3H3/q;+1/p-1",JWAZHODZSADEHB-UHFFFAOYSA-M
BMGC_DG01242,BMG_DG011002,C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CN)O,[C@H]12[C@]3([H])[C@@H]4[C@H](O1)C[C@@]5(CC[C@@H]6O[C@@H](CC[C@H]7C[C@@H](C)C(=C)[C@H](O7)C[C@@]8([H])[C@H](CC(=O)C[C@H]9CC[C@@]([H])([C@@]([H])([C@@H]2O5)O9)O3)[C@@H](OC)[C@H](O8)C[C@H](O)CN)C(=C)C6)O4,"InChI=1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1",UFNVPOGXISZXJD-JBQZKEIOSA-N
BMGC_DG01243,BMG_DG011023,,,,
BMGC_DG01244,BMG_DG011036,CCC(CC)[C@@H](CO)NS(=O)(=O)C1=CC=C(S1)Cl,c1(ccc(s1)Cl)S(=O)(=O)N[C@@H](C(CC)CC)CO,"InChI=1S/C11H18ClNO3S2/c1-3-8(4-2)9(7-14)13-18(15,16)11-6-5-10(12)17-11/h5-6,8-9,13-14H,3-4,7H2,1-2H3/t9-/m1/s1",PYZFRRVBPNGCBX-SECBINFHSA-N
BMGC_DG01245,BMG_DG011038,,c12c(c(ccc1)N)nccc2,,WREVVZMUNPAPOV-UHFFFAOYSA-N
BMGC_DG01246,BMG_DG011041,CC1=C(SC=N1)CCO,c1(c(ncs1)C)CCO,"InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3",BKAWJIRCKVUVED-UHFFFAOYSA-N
BMGC_DG01247,BMG_DG011051,CC(=O)C(=O)C1=CC=CC=C1,c1ccc(cc1)C(=O)C(=O)C,"InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3",BVQVLAIMHVDZEL-UHFFFAOYSA-N
BMGC_DG01248,BMG_DG011053,CCCN=C1N(C(=O)/C(=C/C2=CC(=C(C=C2)OC[C@@H](CO)O)Cl)/S1)C3=CC=CC=C3C,c1c(c(ccc1/C=C\2/C(=O)N(c3c(C)cccc3)/C(=N/CCC)/S2)OC[C@@H](CO)O)Cl,"InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23?/t17-/m1/s1",LPAUOXUZGSBGDU-ULCCENQXSA-N;LPAUOXUZGSBGDU-STDDISTJSA-N
BMGC_DG01249,BMG_DG011056,CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C,C1C(N2c3c(N(C)C(=O)[C@H]2CC)cnc(Nc4ccc(cc4OC)C(NC5CCN(C)CC5)=O)n3)CCC1,"InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1",XQVVPGYIWAGRNI-JOCHJYFZSA-N
BMGC_DG01250,BMG_DG011075,,C1(N=N1)(C(F)(F)F)c2ccc(cc2)CO,,UZHHTEASLDJYBO-UHFFFAOYSA-N
BMGC_DG01251,BMG_DG011078,,,,
BMGC_DG01252,BMG_DG011079,,o1c(ccc1-c2c(ccc(c2)F)C)C(=O)NC(=N)N,,DTLDHYBZLVASJQ-UHFFFAOYSA-N
BMGC_DG01253,BMG_DG011086,C1CN(CCN1)C2=NC3=CC=CC=C3SC4=CC=CC=C42,c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCNCC4,"InChI=1S/C17H17N3S/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,18H,9-12H2",JLOAJISUHPIQOX-UHFFFAOYSA-N
BMGC_DG01254,BMG_DG011089,CC1=C(SC=N1)CCOP(=O)(O)O,,"InChI=1S/C6H10NO4PS/c1-5-6(13-4-7-5)2-3-11-12(8,9)10/h4H,2-3H2,1H3,(H2,8,9,10)",OCYMERZCMYJQQO-UHFFFAOYSA-N
BMGC_DG01255,BMG_DG011094,CCOC[C@H]1[C@H]2CC[C@H](N2C)C[C@@H]1C3=CC(=C(C=C3)Cl)Cl,N1([C@@H]2C[C@H](c3cc(Cl)c(cc3)Cl)[C@H]([C@H]1CC2)COCC)C,"InChI=1S/C17H23Cl2NO/c1-3-21-10-14-13(9-12-5-7-17(14)20(12)2)11-4-6-15(18)16(19)8-11/h4,6,8,12-14,17H,3,5,7,9-10H2,1-2H3/t12-,13+,14+,17+/m0/s1",VCVWXKKWDOJNIT-ZOMKSWQUSA-N
BMGC_DG01256,BMG_DG011097,,c1(c(cccc1)C(O)=O)Nc2c(cccc2)C(O)=O,,ZFRNOTZQUGWMQN-UHFFFAOYSA-N
BMGC_DG01257,BMG_DG011100,,c12c(ccc(c1)Br)cccc2,,APSMUYYLXZULMS-UHFFFAOYSA-N
BMGC_DG01258,BMG_DG011101,,C(=O)(c1c2c(n(c1)CCCCC)cccc2)c3c4c(cc(cc4)OC)ccc3,,JCOOBICVPDFZNX-UHFFFAOYSA-N
BMGC_DG01259,BMG_DG011102,C[C@H](C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)NS(=O)(=O)C,O(c1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1)S(C(F)(F)F)(=O)=O,"InChI=1S/C11H12F3NO6S2/c1-7(10(16)15-22(2,17)18)8-3-5-9(6-4-8)21-23(19,20)11(12,13)14/h3-7H,1-2H3,(H,15,16)/t7-/m1/s1",DDLPYOCJHQSVSZ-SSDOTTSWSA-N
BMGC_DG01260,BMG_DG011103,,Nc1cc2c(cc1)nccc2,,RJSRSRITMWVIQT-UHFFFAOYSA-N
BMGC_DG01261,BMG_DG011104,,,,
BMGC_DG01262,BMG_DG011105,,CN1CCN(CC1)c2cc3c(cc2)ncn(-c4c(ccc(c4)C(=O)NC5CC5)C)c3=O,,ZMAZXHICVRYLQN-UHFFFAOYSA-N
BMGC_DG01263,BMG_DG011108,,c1ccccc1C2(c3ccccc3)OC(=O)N4C2CN(CC4)C(=O)NCc5ccc(cc5)F,,SFRQIPRTNYHJHP-UHFFFAOYSA-N
BMGC_DG01264,BMG_DG011109,,c1cc(ccc1C(C)(C)C)-c2cc(nn2C)C(NCc3cc(c(cc3)OC(C(O)=O)(C)C)C)=O,,BMCXRYMMKLEOTJ-UHFFFAOYSA-N
BMGC_DG01265,BMG_DG011118,CC(C)OC(=O)[C@H](CCSC)NC(=O)C1=C(C=CC(=C1)NC[C@@H]2C[C@@H](CN2)SC(=O)C3=CN=CC=C3)CCC4=CC=C(C=C4)F,C(c1cc(NC[C@H]2NC[C@@H](SC(c3cnccc3)=O)C2)ccc1CCc4ccc(F)cc4)(=O)N[C@@H](CCSC)C(=O)OC(C)C,"InChI=1S/C34H41FN4O4S2/c1-22(2)43-33(41)31(14-16-44-3)39-32(40)30-18-27(13-10-24(30)9-6-23-7-11-26(35)12-8-23)37-20-28-17-29(21-38-28)45-34(42)25-5-4-15-36-19-25/h4-5,7-8,10-13,15,18-19,22,28-29,31,37-38H,6,9,14,16-17,20-21H2,1-3H3,(H,39,40)/t28-,29-,31-/m0/s1",HKGUHEGKBLYKHY-QMOZSOIISA-N
BMGC_DG01266,BMG_DG011131,C1=CC=C2C(=C1)C=CC(=N2)N,Nc1nc2c(cc1)cccc2,"InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)",GCMNJUJAKQGROZ-UHFFFAOYSA-N
BMGC_DG01267,BMG_DG011134,,O=C1CCCc2nc(ccc12)C#Cc3ccccc3,,XOUDFZJCSDKXLG-UHFFFAOYSA-N
BMGC_DG01268,BMG_DG011145,,Clc1ccc(Sc2ccnc(-c3ccccn3)n2)cc1,,GJICJCYMPFHBPO-UHFFFAOYSA-N
BMGC_DG01269,BMG_DG011146,,CC(C)C(=O)Nc1nc(-c2ccccc2)cc(-c3ccccc3)n1,,AGCKGTMTDBKSHH-UHFFFAOYSA-N
BMGC_DG01270,BMG_DG011152,,C(=O)(N1C[C@](CCC1)(c2nc(no2)-c3ccc(cc3)F)[H])c4ccc(cc4)F,,VXQCCZHCFBHTTD-HNNXBMFYSA-N
BMGC_DG01271,BMG_DG011158,,c12c(cc3ccccc3n1)ccc(c2)N,,GHCKERHPOQWERJ-UHFFFAOYSA-N
BMGC_DG01272,BMG_DG011161,,C1C[C@]2([C@]([C@@]([C@@H]1OC(=O)C)(C)C(O)=O)(CC[C@@]3([C@@]2(CC=C4[C@]3(CC[C@@]5([C@]4([C@H]([C@@H](CC5)C)C)[H])C)C)[H])C)[H])C,,YJBVHJIKNLBFDX-MQURJEHKSA-N
BMGC_DG01273,BMG_DG011164,CC1=CC2=C(C=C1)C=C(C=C2)C,c12c(cc(cc1)C)ccc(c2)C,"InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3",YGYNBBAUIYTWBF-UHFFFAOYSA-N
BMGC_DG01274,BMG_DG011168,CS(=O)(=O)NC1=CC2=C(C=C1)OC3=C(C=CC(=C23)C(=O)NC4=C(C=NC=C4Cl)Cl)OC(F)F,c12c(ccc(c1c3c(o2)ccc(c3)NS(C)(=O)=O)C(Nc4c(cncc4Cl)Cl)=O)OC(F)F,"InChI=1S/C20H13Cl2F2N3O5S/c1-33(29,30)27-9-2-4-14-11(6-9)16-10(3-5-15(18(16)31-14)32-20(23)24)19(28)26-17-12(21)7-25-8-13(17)22/h2-8,20,27H,1H3,(H,25,26,28)",OKFDRAHPFKMAJH-UHFFFAOYSA-N
BMGC_DG01275,BMG_DG011170,CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CC[C@@H](C3)N(C)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CN=C5,[C@@H]1(N(C)C)CN(Cc2c(cc(cc2)C(Nc3ccc(c(c3)Nc4nccc(n4)-c5cncnc5)C)=O)C(F)(F)F)CC1,"InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1",ZGBAJMQHJDFTQJ-DEOSSOPVSA-N
BMGC_DG01276,BMG_DG011172,C1C=CCN[C@@H]1C2=CN=CC=C2,c1([C@@H]2CC=CCN2)cccnc1,"InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1",SOPPBXUYQGUQHE-JTQLQIEISA-N
BMGC_DG01277,BMG_DG011177,,c1(-c2ccccn2)cccnc1,,VEKIYFGCEAJDDT-UHFFFAOYSA-N
BMGC_DG01278,BMG_DG011192,,o1c(ccc1-c2c(ccc(c2)F)OC)C(=O)NC(=N)N,,VAGPQSSGJRPPGJ-UHFFFAOYSA-N
BMGC_DG01279,BMG_DG011194,,c1cccc(c1)CCNC(=O)/C=C/c2cc(c(cc2)O)O,,QOWABIXYAFJMQE-VQHVLOKHSA-N
BMGC_DG01280,BMG_DG011199,,[C@@]12([C@@]3([C@]([C@]4([C@@](C)([C@H](CC4)O)CC3)[H])(CC(C2=CC(C=C1)=O)=C)[H])[H])C,,NFDPYPMRHKQTDM-NHWXPXPKSA-N
BMGC_DG01281,BMG_DG011203,,C(c1c(c(ccc1)Cl)Cl)(=O)N([C@@H]2CNCC2)CC(C)C,,PIKCALBGLDBAKK-NSHDSACASA-N
BMGC_DG01282,BMG_DG011204,CCCC(=O)NC1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3,,"InChI=1S/C20H19N3O/c1-2-9-19(24)23-20-21-17(15-10-5-3-6-11-15)14-18(22-20)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,21,22,23,24)",IGXLAZUQYPCBKI-UHFFFAOYSA-N
BMGC_DG01283,BMG_DG011205,,c12c(ccc(c1)CC(O)=O)cccc2,,VIBOGIYPPWLDTI-UHFFFAOYSA-N
BMGC_DG01284,BMG_DG011207,,C1(C(=C(C(C(=C1)CCCCC)=O)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)=O,,WDXXEUARVHTWQF-DLBZAZTESA-N
BMGC_DG01285,BMG_DG011212,CC1=CC=C(C=C1)COC(=O)N2CC[C@@H]([C@@H](C2)F)CNC3=NC=CC=N3,c1(COC(=O)N2C[C@H]([C@H](CC2)CNc3ncccn3)F)ccc(cc1)C,"InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m1/s1",RECBFDWSXWAXHY-IAGOWNOFSA-N
BMGC_DG01286,BMG_DG011215,COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)CCC(=O)O,n1(S(=O)(c2ccc(cc2)OC)=O)c3c(c(CCC(O)=O)c1)cc(cc3)OC,"InChI=1S/C19H19NO6S/c1-25-14-4-7-16(8-5-14)27(23,24)20-12-13(3-10-19(21)22)17-11-15(26-2)6-9-18(17)20/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)",YMPALHOKRBVHOJ-UHFFFAOYSA-N
BMGC_DG01287,BMG_DG011216,,c12c(cc(C)cc1)cc(C)cc2,,LRQYSMQNJLZKPS-UHFFFAOYSA-N
BMGC_DG01288,BMG_DG011217,CCC(CC)(/C=C/C[C@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)F)O)C)O,[C@]12(C(=CC[C@]1(/C(=C/C=C/3\C([C@H](C[C@@H](C3)O)F)=C)/CCC2)[H])[C@H](C/C=C/C(O)(CC)CC)C)C,"InChI=1S/C29H43FO2/c1-6-29(32,7-2)17-8-10-20(3)25-14-15-26-22(11-9-16-28(25,26)5)12-13-23-18-24(31)19-27(30)21(23)4/h8,12-14,17,20,24,26-27,31-32H,4,6-7,9-11,15-16,18-19H2,1-3,5H3/b17-8+,22-12+,23-13-/t20-,24+,26-,27-,28+/m0/s1",LRLWXBHFPGSUOX-GJQYOBCGSA-N
BMGC_DG01289,BMG_DG011222,CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=C(C=C2)C3=NOC=N3)C(=O)C4CCS(=O)(=O)CC4,c1cc(ccc1NC(CN(c2c(cccc2C)C)C(C3CCS(CC3)(=O)=O)=O)=O)-c4ncon4,"InChI=1S/C24H26N4O5S/c1-16-4-3-5-17(2)22(16)28(24(30)19-10-12-34(31,32)13-11-19)14-21(29)26-20-8-6-18(7-9-20)23-25-15-33-27-23/h3-9,15,19H,10-14H2,1-2H3,(H,26,29)",MNHNIVNAFBSLLX-UHFFFAOYSA-N
BMGC_DG01290,BMG_DG011227,COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)N4N=C(N=N4)C5=CC(=C(C=C5NC(=O)C6=CC(=O)C7=CC=CC=C7O6)OC)OC)OC,c1(cc(c2ccccc2o1)=O)C(=O)Nc3c(cc(c(c3)OC)OC)-c4nnn(n4)-c5ccc(cc5)CCN6Cc7cc(c(cc7CC6)OC)OC,"InChI=1S/C38H36N6O7/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21-30(45)27-7-5-6-8-31(27)51-36/h5-12,17-21H,13-16,22H2,1-4H3,(H,39,46)",AHJUHHDDCJQACA-UHFFFAOYSA-N
BMGC_DG01291,BMG_DG011229,CC1=CC=CC=C1,c1(C)ccccc1,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",YXFVVABEGXRONW-UHFFFAOYSA-N
BMGC_DG01292,BMG_DG011230,CCOC(=O)C1=CC(=CC=C1)N,C(c1cc(N)ccc1)(=O)OCC,"InChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3",ZMCBYSBVJIMENC-UHFFFAOYSA-N
BMGC_DG01293,BMG_DG011242,,o1c(ccc1-c2c(ccc(c2)Cl)OC)C(=O)NC(=N)N,,DYGXZBQDLFYIFD-UHFFFAOYSA-N
BMGC_DG01294,BMG_DG011244,,C(CNCCNc1ccc(cn1)C#N)(=O)N2C(C#N)CC=N2,,XNYVGGJJENHRBZ-UHFFFAOYSA-N
BMGC_DG01295,BMG_DG011246,CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C,C/1(=CC(c2cc3c([nH]2)cccc3)=N\C1=C/c4c(C)cc(C)[nH]4)OC,"InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21,23H,1-3H3/b18-17-,19-10-",CVCLJVVBHYOXDC-IAZSKANUSA-N;RFTSSZJZXOSICM-GRSHGNNSSA-N
BMGC_DG01296,BMG_DG011247,,CCCCC(=O)Nc1cc(-c2ccccc2)nc(-c3ccccc3)n1,,AJUVVGPOXGXRAI-UHFFFAOYSA-N
BMGC_DG01297,BMG_DG011253,CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCOCC4,Cn1c(=O)c(Oc2c(F)cc(F)cc2)cc3cnc(nc31)NC4CCOCC4,"InChI=1S/C19H18F2N4O3/c1-25-17-11(10-22-19(24-17)23-13-4-6-27-7-5-13)8-16(18(25)26)28-15-3-2-12(20)9-14(15)21/h2-3,8-10,13H,4-7H2,1H3,(H,22,23,24)",KKKRKRMVJRHDMG-UHFFFAOYSA-N
BMGC_DG01298,BMG_DG011265,,N(C(=O)Nc1ccc(cc1)Oc2ncnc(c2)NC)c3cc(c(cc3)CN4CCN(CC4)CC)C(F)(F)F,,ODPGGGTTYSGTGO-UHFFFAOYSA-N
BMGC_DG01299,BMG_DG011281,,COc1cc2ccccc2cc1-n3ccnc3,,HDJQGQGNKJFUSV-UHFFFAOYSA-N
BMGC_DG01300,BMG_DG011287,,C(=C\C=C/CC/C=C/C=C/C(=O)NCC(C)C)\C,,VLGRWXYRKYWRPX-VSRLVKTQSA-N
BMGC_DG01301,BMG_DG011293,CC1=NC2=CC=CC=C2C(=N1)N(C)C3=CC=C(C=C3)OC,N(C)(c1c2c(nc(n1)C)cccc2)c3ccc(cc3)OC,"InChI=1S/C17H17N3O/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13/h4-11H,1-3H3",SNHCRNMVYDHVDT-UHFFFAOYSA-N
BMGC_DG01302,BMG_DG011305,COC1=C(C=C2[C@@H]3C[C@@H]([C@H](CN3CCC2=C1)N4C[C@H](CC4=O)CF)N)OC,C1(=O)C[C@@H](CN1[C@H]2CN3CCc4cc(c(cc4[C@@]3(C[C@@H]2N)[H])OC)OC)CF,"InChI=1S/C20H28FN3O3/c1-26-18-6-13-3-4-23-11-17(24-10-12(9-21)5-20(24)25)15(22)8-16(23)14(13)7-19(18)27-2/h6-7,12,15-17H,3-5,8-11,22H2,1-2H3/t12-,15+,16+,17+/m1/s1",GUYMHFIHHOEFOA-ZCPGHIKRSA-N
BMGC_DG01303,BMG_DG011308,CCN(CC)C(=O)C1=CC=C(C=C1)C2=CC3(CCNCC3)OC4=CC=CC(=C42)O,C(c1ccc(cc1)C2=CC3(Oc4c2c(ccc4)O)CCNCC3)(=O)N(CC)CC,"InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-10-8-17(9-11-18)19-16-24(12-14-25-15-13-24)29-21-7-5-6-20(27)22(19)21/h5-11,16,25,27H,3-4,12-15H2,1-2H3",OPIKUXLJQFYMSC-UHFFFAOYSA-N
BMGC_DG01304,BMG_DG011310,C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Mg+2],[Mg+2].OC[C@@H](O)[C@@H](O)[C@@H]([C@H](C([O-])=O)O)O.OC[C@@H](O)[C@@H](O)[C@@H]([C@H](C([O-])=O)O)O,"InChI=1S/2C6H12O7.Mg/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1",CTUVIUYTHWPELF-IYEMJOQQSA-L
BMGC_DG01305,BMG_DG011312,CC1CCCCC1=O,C1CCC(C)C(=O)C1,"InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3",LFSAPCRASZRSKS-UHFFFAOYSA-N
BMGC_DG01306,BMG_DG011316,CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC,S(c1cc(NC=O)ccc1C(=O)N(C)C)(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2,"InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)",PXDNXJSDGQBLKS-UHFFFAOYSA-N
BMGC_DG01307,BMG_DG011320,,C1CC(=CCN1c2c(cccn2)C(F)(F)F)C(=O)Nc3ccc(cc3)S(=O)(=O)C(F)(F)F,,SDUAWRFBHRAFBM-UHFFFAOYSA-N
BMGC_DG01308,BMG_DG011325,,Cc1c(c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc3c(C(F)(F)F)cccc3F)-c4c(F)c(OC)ccc4,,AEOBYHAZFRJFPZ-QFIPXVFZSA-N
BMGC_DG01309,BMG_DG011345,,Nc1cc(-n2cccn2)nc(-c3ccco3)n1,,SSPIGFDAVQVRCH-UHFFFAOYSA-N
BMGC_DG01310,BMG_DG011351,,c1cc(C)c2ccc3c(c2c1)C(=O)C(=O)C=4[C@@H](C)COC43,,HARGZZNYNSYSGJ-JTQLQIEISA-N
BMGC_DG01311,BMG_DG011360,,O=C(CCCCCCS)Nc1nc(-c2ccccc2)cs1,,LUXAHBUKMVESIS-UHFFFAOYSA-N
BMGC_DG01312,BMG_DG011361,C1CN(CCN1)C(=O)C2=CC=C(C=C2)/C=C/C3=NNC4=CC=CC=C43,n1[nH]c2c(c1\C=C\c3ccc(cc3)C(=O)N4CCNCC4)cccc2,"InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+",YYLKKYCXAOBSRM-JXMROGBWSA-N
BMGC_DG01313,BMG_DG011363,,,,
BMGC_DG01314,BMG_DG011366,,,,
BMGC_DG01315,BMG_DG011369,C(=O)([O-])[O-].[K+].[K+],C(=O)([O-])[O-].[K+].[K+],"InChI=1S/CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",BWHMMNNQKKPAPP-UHFFFAOYSA-L
BMGC_DG01316,BMG_DG011373,C1CCC2=C(C1)C(=O)N(C(=N2)CCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)N,n1c(n(c(c2CCCCc12)=O)N)CCCCN3CCN(CC3)c4nc5ccccc5cc4,"InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2",WFQOETMVYMINSA-UHFFFAOYSA-N
BMGC_DG01317,BMG_DG011377,CC(=O)NC1=CC(=CC=C1)N2CCN(CC2)CCCCNS(=O)(=O)CC3CCCCC3,C(CCCNS(=O)(=O)CC1CCCCC1)N2CCN(CC2)c3cc(NC(=O)C)ccc3,"InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)",SPWZXWDPAWDKQE-UHFFFAOYSA-N
BMGC_DG01318,BMG_DG011379,CC1=CC(=C(C(=C1NC(=O)CN(CC(=O)O)CC(=O)O)C)Br)C.[99Tc],c1(C)c(NC(CN(CC([O-])=O)CC(=O)[O-])=O)c(C)cc(c1Br)C.[99Tc+4].c1(C)c(NC(CN(CC([O-])=O)CC(=O)[O-])=O)c(C)cc(c1Br)C,"InChI=1S/C15H19BrN2O5.Tc/c1-8-4-9(2)15(10(3)14(8)16)17-11(19)5-18(6-12(20)21)7-13(22)23;/h4H,5-7H2,1-3H3,(H,17,19)(H,20,21)(H,22,23);/i;1+1",JLJSYHOPCNWUNE-IEOVAKBOSA-N;MGKWQLBBVFGWLJ-FCHARDOESA-J
BMGC_DG01319,BMG_DG011381,,COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@]3([C@@]1(C)CC[C@]4(C(=O)O[C@H](c5ccoc5)C[C@@]43C)[H])[H],,PYDQMXRFUVDCHC-XAGHGKQISA-N
BMGC_DG01320,BMG_DG011390,,[C@@H]1(N(C(c2c(cc(cc2)OC)OC(C)C)=N[C@H]1c3ccc(cc3)Cl)C(=O)N4CCNC(C4)=O)c5ccc(cc5)Cl,,BDUHCSBCVGXTJM-WUFINQPMSA-N
BMGC_DG01321,BMG_DG011393,,C([C@@H](NC([C@H]1N(C[C@@H](C1)NC2CCC2)S(=O)(=O)c3cc(ccc3)C#N)=O)Cc4ccc(cc4)NC(=O)c5c(cncc5Cl)Cl)(=O)O,,USYYNLPEWBGIMJ-ICTDUYRTSA-N
BMGC_DG01322,BMG_DG011398,C1C[N+]2(CCC1[C@H](C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5,C1[C@H](OC(C(c2sccc2)(c3sccc3)O)=O)C4CC[N+]1(CCCOc5ccccc5)CC4,"InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1",ASMXXROZKSBQIH-VITNCHFBSA-N
BMGC_DG01323,BMG_DG011414,,O=C(CSc1ccc2ccccc2c1)NO,,GNDJOJQVOFQQBM-UHFFFAOYSA-N
BMGC_DG01324,BMG_DG011424,,O=C(CS)NCCCCCC(=O)Nc1ccccc1,,ICMLRCZXRBTKLJ-UHFFFAOYSA-N
BMGC_DG01325,BMG_DG011425,,O=c1cc(N2CCOCC2)oc3cc4ccccc4cc13,,FKURMCWOGPDJSJ-UHFFFAOYSA-N
BMGC_DG01326,BMG_DG011426,,c1c(cc(cc1F)F)C(=O)C(=O)c2cc(cc(c2)F)F,,ZDXXQKFXZDPNLI-UHFFFAOYSA-N
BMGC_DG01327,BMG_DG011431,CC1=C(N=C(N1C2=CC=C(C=C2)F)C)C#CC3=CC(=NC=C3)Cl,c1c(F)ccc(c1)-n2c(nc(c2C)C#Cc3cc(Cl)ncc3)C,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3",UPZWINBEAHDTLA-UHFFFAOYSA-N
BMGC_DG01328,BMG_DG011432,C1CC(=O)NC1=O,N1C(=O)CCC1=O,"InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)",KZNICNPSHKQLFF-UHFFFAOYSA-N
BMGC_DG01329,BMG_DG011437,,COC(=O)[C@@H]1C[C@H](O)C(=O)[C@]2([C@@]1(C)CC[C@]3(C(=O)O[C@H](c4ccoc4)C[C@@]32C)[H])[H],,BLTMVAIOAAGYAR-CEFSSPBYSA-N
BMGC_DG01330,BMG_DG011441,,,,
BMGC_DG01331,BMG_DG011447,CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NNC4=C3CN(C4)C(=O)[C@@H](C5=CC=CC=C5)OC,[nH]1c2c(c(n1)NC(c3ccc(N4CCN(CC4)C)cc3)=O)CN(C(=O)[C@@H](c5ccccc5)OC)C2,"InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1",XKFTZKGMDDZMJI-HSZRJFAPSA-N
BMGC_DG01332,BMG_DG011451,,[C@H](CC(O)=O)(C=O)NC([C@@H]1CCCN1C([C@@H](NC(c2cc(Cl)c(cc2)N)=O)C(C)(C)C)=O)=O,,SOZONDBMOYWSRW-QANKJYHBSA-N
BMGC_DG01333,BMG_DG011483,,COc1ccc2c(=O)cc(N3CCOCC3)oc2c1,,TVHCBKPEOVWUEQ-UHFFFAOYSA-N
BMGC_DG01334,BMG_DG011488,,C(c1ccccc1)(=O)NC(=O)NCCCCCC(=O)NO,,VQLQZMGNGMOMPU-UHFFFAOYSA-N
BMGC_DG01335,BMG_DG011498,CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCC[C@H](C3)N,n1(c(cc(n(c1=O)C)=O)N2C[C@@H](CCC2)N)Cc3ccccc3C#N,"InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1",ZSBOMTDTBDDKMP-OAHLLOKOSA-N
BMGC_DG01336,BMG_DG011505,,c1(ccc(cc1)CCCCCCCC)CC[C@](CO)(COP(O)(O)=O)N,,LRFKWQGGENFBFO-IBGZPJMESA-N
BMGC_DG01337,BMG_DG011512,CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)C(=O)NO)C,C1SC(C)(C)[C@H](C(NO)=O)N(S(c2ccc(cc2)OCC#CCO)(=O)=O)C1,"InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1",MAVDNGWEBZTACC-HNNXBMFYSA-N
BMGC_DG01338,BMG_DG011524,,C(c1c(c(c(c(c1)Cc2c(cccc2)C(C)C)O)O)O)(=O)Nc3ccc(cc3)S(=O)(=O)c4c(cccc4)C(C)(C)C,,PQAPVTKIEGUPRN-UHFFFAOYSA-N
BMGC_DG01339,BMG_DG011525,CS(=O)(=O)OCCN(CCBr)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCOP(=O)(O)O,c1(cc(c(N(CCBr)CCOS(C)(=O)=O)c(c1)[N+](=O)[O-])C(=O)NCCOP(O)(=O)O)[N+](=O)[O-],"InChI=1S/C14H20BrN4O12PS/c1-33(28,29)31-7-5-17(4-2-15)13-11(14(20)16-3-6-30-32(25,26)27)8-10(18(21)22)9-12(13)19(23)24/h8-9H,2-7H2,1H3,(H,16,20)(H2,25,26,27)",GZSOKPMDWVRVMG-UHFFFAOYSA-N
BMGC_DG01340,BMG_DG011549,,,,
BMGC_DG01341,BMG_DG011556,,Clc1cccc(Sc2ccnc(-c3ccccn3)n2)c1,,UISOVRMNRPVABO-UHFFFAOYSA-N
BMGC_DG01342,BMG_DG011558,,C(=C/c1cc(c(c(c1)OC)O)OC)\c2cc(c(cc2)OC)O,,XZHPYKNNKMKNIB-SNAWJCMRSA-N
BMGC_DG01343,BMG_DG011559,COC1=CC=CC(=C1)C(=O)O,c1(cc(ccc1)OC)C(O)=O,"InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)",XHQZJYCNDZAGLW-UHFFFAOYSA-N
BMGC_DG01344,BMG_DG011560,,C(=O)(c1c2c(n(c1)CCC)cccc2)c3c4c(c(cc3)C)cccc4,,DUBUGSKBMMXSOU-UHFFFAOYSA-N
BMGC_DG01345,BMG_DG011561,,C(OC(N[C@H](C(N[C@H](C(=O)O)Cc1ccccc1)=O)Cc2ccccc2)=O)c3ccccc3,,JNRHNGGTJOBXHL-GOTSBHOMSA-N
BMGC_DG01346,BMG_DG011563,CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)CC3=NC4=CC=CC=C4C=C3,c1c(cc2c(c1)n(c(c2Cc3nc4c(cc3)cccc4)C)CC(O)=O)F,"InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)",FATGTHLOZSXOBC-UHFFFAOYSA-N
BMGC_DG01347,BMG_DG011577,,,,
BMGC_DG01348,BMG_DG011578,,C(Cn1c2c(n(c1=O)C3CCN(CC3)[C@@H]4Cc5cccc6cccc4c56)cccc2)(=O)NC,,PJANMOWVUZBDQF-XMMPIXPASA-N
BMGC_DG01349,BMG_DG011579,,c1(nc(c(cn1)C#N)-c2ccc(cc2)C(C)(C)N)Nc3ccc(cc3)CCN4CCOCC4,,MROGTPNQSHMKIG-UHFFFAOYSA-N
BMGC_DG01350,BMG_DG011584,CC1(CN(CCN1C)[C@@H]2C[C@H](C3=C2C=C(C=C3)Cl)C4=CC=CC=C4)C,c1cc(cc2[C@H](N3CCN(C(C3)(C)C)C)C[C@H](c12)c4ccccc4)Cl,"InChI=1S/C22H27ClN2/c1-22(2)15-25(12-11-24(22)3)21-14-19(16-7-5-4-6-8-16)18-10-9-17(23)13-20(18)21/h4-10,13,19,21H,11-12,14-15H2,1-3H3/t19-,21+/m0/s1",BYPMJBXPNZMNQD-PZJWPPBQSA-N
BMGC_DG01351,BMG_DG011585,CCN(C)C1=NC2=C(C(=N1)NC3=NC=CC(=C3)C)N(N=C2C(=O)NS(=O)(=O)C)CCOCC,n1(c2c(Nc3cc(C)ccn3)nc(N(C)CC)nc2c(C(NS(C)(=O)=O)=O)n1)CCOCC,"InChI=1S/C20H28N8O4S/c1-6-27(4)20-23-15-16(19(29)26-33(5,30)31)25-28(10-11-32-7-2)17(15)18(24-20)22-14-12-13(3)8-9-21-14/h8-9,12H,6-7,10-11H2,1-5H3,(H,26,29)(H,21,22,23,24)",ZUHZNKJIJDAJFD-UHFFFAOYSA-N
BMGC_DG01352,BMG_DG011597,,C(c1ccc(cc1)CNC(C(C)(C)C)C)(=O)Nc2sc(cn2)Sc3c(cc(c(c3)C(=O)N4CCN(CC4)C(=O)C)OC)C,,ZHXNIYGJAOPMSO-UHFFFAOYSA-N
BMGC_DG01353,BMG_DG011603,C1=CNC2=CC(=C(C=C21)O)O,c1(c(cc2cc[nH]c2c1)O)O,"InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H",SGNZYJXNUURYCH-UHFFFAOYSA-N
BMGC_DG01354,BMG_DG011621,C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O,OC1Cc2ccccc2N(C(=O)N)c3c1cccc3,"InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)",BMPDWHIDQYTSHX-UHFFFAOYSA-N
BMGC_DG01355,BMG_DG011635,,O=c1cc(-c2cccc(F)c2)oc3c1ccc4ccccc43,,PJCRQJRMDLDKLR-UHFFFAOYSA-N
BMGC_DG01356,BMG_DG011645,,Brc1cccc(Sc2ccnc(-c3ccccn3)n2)c1,,GOUWEKQNTSGAGA-UHFFFAOYSA-N
BMGC_DG01357,BMG_DG011646,C[C@@]12CC[C@@]3([C@@]([C@]1(CC4=C(O2)C=C(OC4=O)C5=CC(=C(C(=C5)OC)OC)OC)O)(C(=O)C=CC3(C)C)C)O,,"InChI=1S/C29H34O9/c1-25(2)9-8-22(30)27(4)28(25,32)11-10-26(3)29(27,33)15-17-19(38-26)14-18(37-24(17)31)16-12-20(34-5)23(36-7)21(13-16)35-6/h8-9,12-14,32-33H,10-11,15H2,1-7H3/t26-,27+,28-,29-/m1/s1",PBXNNDFKPQPJBB-VJLHXPKFSA-N
BMGC_DG01358,BMG_DG011654,,c12[C@H](c3cc(Cl)c(cc3)Cl)CC[C@@H](c1cccc2)N,,SRPXSILJHWNFMK-ZBEGNZNMSA-N
BMGC_DG01359,BMG_DG011655,,N(=C=S)c1cc(C2(CCCCC2)N3CCCCC3)ccc1,,FGSGBQAQSPSRJK-UHFFFAOYSA-N
BMGC_DG01360,BMG_DG011656,,CN1[C@H]2[C@H]([C@H](C[C@@H]1CC2)c3ccc(C)cc3)c4cc(no4)-c5ccc(Cl)cc5,,MUVQRHMVRFZUGP-IKJKNFHUSA-N
BMGC_DG01361,BMG_DG011658,CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N,[C@@H]1(N(CCC1)C([C@@H](NC([C@@H]2CC(N(C)C(=O)N2)=O)=O)Cc3cnc[nH]3)=O)C(N)=O,"InChI=1S/C17H23N7O5/c1-23-13(25)6-10(22-17(23)29)15(27)21-11(5-9-7-19-8-20-9)16(28)24-4-2-3-12(24)14(18)26/h7-8,10-12H,2-6H2,1H3,(H2,18,26)(H,19,20)(H,21,27)(H,22,29)/t10-,11-,12-/m0/s1",LQZAIAZUDWIVPM-SRVKXCTJSA-N
BMGC_DG01362,BMG_DG011662,,S=C=NCCCCCCc1ccccc1,,VJNWEQGIPZMBMA-UHFFFAOYSA-N
BMGC_DG01363,BMG_DG011667,,c1nc2c(c(n1)N)c(cn2[C@@H]3C[C@H](C3)CN4CCC4)-c5cc(ccc5)OCc6ccccc6,,AECDBHGVIIRMOI-AQYVVDRMSA-N
BMGC_DG01364,BMG_DG011669,CCOC(COC1=CC=C(C=C1)C(F)(F)F)CSC2=CC(=C(C=C2)OCC(=O)O)C,,"InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)",JWHYSEDOYMYMNM-UHFFFAOYSA-N
BMGC_DG01365,BMG_DG011670,CN1N=C(N=N1)C2=NC=C(C=C2)C3=C(C=C(C=C3)N4C[C@@H](OC4=O)COP(=O)(O)O)F,[C@H]1(COP(=O)(O)O)CN(C(O1)=O)c2ccc(c(c2)F)-c3cnc(cc3)-c4nn(nn4)C,"InChI=1S/C17H16FN6O6P/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(30-17(24)25)9-29-31(26,27)28/h2-7,12H,8-9H2,1H3,(H2,26,27,28)/t12-/m1/s1",QCGUSIANLFXSGE-GFCCVEGCSA-N
BMGC_DG01366,BMG_DG011676,,C(c1ccc(cc1)-c2ccccn2)(=O)NC/C=C/CN3CCN(CC3)c4c(c(ccc4)Cl)Cl,,ZMYOIZHRXABMFZ-ONEGZZNKSA-N
BMGC_DG01367,BMG_DG011682,C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O,[C@H]1([C@H]([C@@](O[C@@H]([C@H]1O)CO)(c2c(c3c(cc2O)oc(cc3=O)-c4cc(c(cc4)O)O)O)[H])O)O,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",ODBRNZZJSYPIDI-VJXVFPJBSA-N
BMGC_DG01368,BMG_DG011683,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)O)O)O,c1c(cc2c(C[C@@H](O)[C@](O2)(c3cc4c([C@]5(Oc6cc(cc(c6C[C@H]5O)O)O)[H])cc(c(c4c(c(c3)=O)O)O)O)[H])c1O)O,"InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22-,28-,29-/m1/s1",IPMYMEWFZKHGAX-ZKSIBHASSA-N
BMGC_DG01369,BMG_DG011688,CCCCC(=O)[O-],,"InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1",NQPDZGIKBAWPEJ-UHFFFAOYSA-M
BMGC_DG01370,BMG_DG011692,CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)C)NC5=CN=C(C=C5)C,,"InChI=1S/C28H24F3N7O2/c1-16-7-9-21(34-25(39)18-5-4-6-20(11-18)28(29,30)31)12-23(16)38-15-19-13-33-26(36-24(19)37(3)27(38)40)35-22-10-8-17(2)32-14-22/h4-14H,15H2,1-3H3,(H,34,39)(H,33,35,36)",SZNYUUZOQHNEKB-UHFFFAOYSA-N
BMGC_DG01371,BMG_DG011718,CS(=O)(=O)C1=CC=C(C=C1)[C@H]([C@@H](CF)NC(=O)C(Cl)Cl)O,c1cc([C@H]([C@@H](CF)NC(C(Cl)Cl)=O)O)ccc1S(C)(=O)=O,"InChI=1S/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)/t9-,10-/m1/s1",AYIRNRDRBQJXIF-NXEZZACHSA-N
BMGC_DG01372,BMG_DG011719,,,,
BMGC_DG01373,BMG_DG011726,,Cc1ccc(OCC#Cc2cccc(C)n2)cc1,,GMIZGDGVYPBQCS-UHFFFAOYSA-N
BMGC_DG01374,BMG_DG011727,CC1=NC(=CC=C1)C#CC2=C/C(=N/OC)/CCC2,,"InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+",CNNZLFXCUQLKOB-BMRADRMJSA-N
BMGC_DG01375,BMG_DG011737,C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O,c1(O)ccc2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O,"InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1",FURUXTVZLHCCNA-AWEZNQCLSA-N
BMGC_DG01376,BMG_DG011741,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)C(CC4)=O)[H])(CC[C@]1(C[C@@H](CC2)O[C@@]5(O[C@H](C(O)=O)[C@H]([C@@H]([C@H]5O)O)O)[H])[H])[H])[H],"InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1",VFUIRAVTUVCQTF-BSOWLZGZSA-N
BMGC_DG01377,BMG_DG011744,C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CCC4=CC(=C(C=C34)OC)C(=O)N,c1(c(cc2CC[C@@]3([C@@](c2c1)(CC[C@]4([C@]3(CC=C4)[H])C)[H])[H])C(N)=O)OC,"InChI=1S/C20H25NO2/c1-20-8-3-4-17(20)14-6-5-12-10-16(19(21)22)18(23-2)11-15(12)13(14)7-9-20/h3,8,10-11,13-14,17H,4-7,9H2,1-2H3,(H2,21,22)/t13-,14+,17-,20-/m0/s1",YQJWOUQGXATDAE-ACNBBOPNSA-N
BMGC_DG01378,BMG_DG011746,,,,
BMGC_DG01379,BMG_DG011747,C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O,C1(NCCc2cc(c(cc12)O)O)Cc3ccc(cc3)O,"InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2",WZRCQWQRFZITDX-UHFFFAOYSA-N
BMGC_DG01380,BMG_DG011757,,,,
BMGC_DG01381,BMG_DG011759,CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N,c1ccc(c2c1[nH]nc2N)-c3ccc(cc3)NC(Nc4c(ccc(c4)C)F)=O,"InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)",MPVGZUGXCQEXTM-UHFFFAOYSA-N
BMGC_DG01382,BMG_DG011763,C1CNP(=O)(OC1)NCCCl,ClCCNP1(=O)OCCCN1,"InChI=1S/C5H12ClN2O2P/c6-2-4-8-11(9)7-3-1-5-10-11/h1-5H2,(H2,7,8,9)",DZKGMGPLDJOVCX-UHFFFAOYSA-N
BMGC_DG01383,BMG_DG011766,C[C@H](C1=CC=C(C=C1)CC(C)C)C(=O)O,C([C@@H](c1ccc(CC(C)C)cc1)C)(=O)O,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",HEFNNWSXXWATRW-SNVBAGLBSA-N
BMGC_DG01384,BMG_DG011776,CCCN(CCC1=CC=CC=C1)CCC2=CC(=CC=C2)O,,"InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3",QUZUPTMNMJTYGL-UHFFFAOYSA-N
BMGC_DG01385,BMG_DG011784,CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC,C(CN1CCC(CC1)Oc2cc3c(ncnc3cc2OC)Nc4c(c(ccc4)Cl)F)(=O)NC,"InChI=1S/C23H25ClFN5O3/c1-26-21(31)12-30-8-6-14(7-9-30)33-20-10-15-18(11-19(20)32-2)27-13-28-23(15)29-17-5-3-4-16(24)22(17)25/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,26,31)(H,27,28,29)",DFJSJLGUIXFDJP-UHFFFAOYSA-N
BMGC_DG01386,BMG_DG011787,,[C@@H](Cc1ccc(cc1)OCCF)([C@@H](NC(C(Oc2ccc(cn2)C)(C)C)=O)C)c3cc(C#N)ccc3,,XIYPJXKEMLKFMD-HFZDXXHNSA-N
BMGC_DG01387,BMG_DG011789,,n1-2c(c(nc1)C(OCC)=O)CN(C(c3c2ccc(c3)Cl)=O)C,,QORLMYYHZLDYOR-UHFFFAOYSA-N
BMGC_DG01388,BMG_DG011797,CC1=CC(=CC2=C1OC3=C2C(=CC(=C3)Cl)Cl)Cl,c12c(c3cc(Cl)cc(c3o1)C)c(cc(c2)Cl)Cl,"InChI=1S/C13H7Cl3O/c1-6-2-7(14)3-9-12-10(16)4-8(15)5-11(12)17-13(6)9/h2-5H,1H3",RPMARRQIRRJWEZ-UHFFFAOYSA-N
BMGC_DG01389,BMG_DG011801,CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@H](CNCCNC(=O)N3CCOCC3)O)C,C1(OC[C@H](O1)COC(CCc2ccc(OC[C@H](CNCCNC(N3CCOCC3)=O)O)cc2)=O)(C)C,"InChI=1S/C25H39N3O8/c1-25(2)35-18-22(36-25)17-34-23(30)8-5-19-3-6-21(7-4-19)33-16-20(29)15-26-9-10-27-24(31)28-11-13-32-14-12-28/h3-4,6-7,20,22,26,29H,5,8-18H2,1-2H3,(H,27,31)/t20-,22+/m0/s1",WMDSZGFJQKSLLH-RBBKRZOGSA-N
BMGC_DG01390,BMG_DG011804,CC1(C=CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@]4(C3=O)O)OC)OC)C,O[C@@]12C(=O)c3ccc4OC(C)(C)C=Cc4c3O[C@]1([H])COc5cc(OC)c(OC)cc52,"InChI=1S/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m1/s1",AQBZCCQCDWNNJQ-AUSIDOKSSA-N
BMGC_DG01391,BMG_DG011809,COC1=C(C=C(C2=C1OC(CC2=O)C3=CC=CC=C3)O)O,,"InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3",FKAOWOSRYSMEBS-UHFFFAOYSA-N
BMGC_DG01392,BMG_DG011811,CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C,c1cc2c(c(c1)C)ccc3-c4c(C(C(c23)=O)=O)c(co4)C,"InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3",AIGAZQPHXLWMOJ-UHFFFAOYSA-N
BMGC_DG01393,BMG_DG011812,C1=CC(=C2C(=C1)OC3=CC(=O)C(=C(C3=N2)C(=O)O)N)C(=O)O,c1(c(cc2-c(nc3c(cccc3o2)C(=O)O)c1C(O)=O)=O)N,"InChI=1S/C14H8N2O6/c15-10-6(17)4-8-12(9(10)14(20)21)16-11-5(13(18)19)2-1-3-7(11)22-8/h1-4H,15H2,(H,18,19)(H,20,21)",FSBKJYLVDRVPTK-UHFFFAOYSA-N
BMGC_DG01394,BMG_DG011817,C1=CC(=CC(=C1)O)CCN,NCCc1cc(O)ccc1,"InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2",GHFGJTVYMNRGBY-UHFFFAOYSA-N
BMGC_DG01395,BMG_DG011818,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4O)C)O,C[C@]12CCC(=O)C=C1CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)C[C@H](O)[C@@]32[H],"InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14-,15-,16-,17+,18-,19-/m0/s1",YQDZGFAYWGWSJK-SLMGBJJTSA-N
BMGC_DG01396,BMG_DG011820,,CN(C)CCc1c[nH]c2cccc(F)c12,,ISJZKVWGUWBUFG-UHFFFAOYSA-N
BMGC_DG01397,BMG_DG011821,,,,
BMGC_DG01398,BMG_DG011831,,C(CC)C(C(=O)c1ccc(c(c1)OC)OC)N2CCCC2,,AGRVUDWDZKZCAA-UHFFFAOYSA-N
BMGC_DG01399,BMG_DG011837,,c1c2[nH]c(cc3nc(cc4[nH]c(cc5nc1C(=C5C)CCC(O)=O)c(c4CCC(O)=O)C)C(C)=C3CCC(=O)O)c(C)c2CCC(O)=O,,JWFCYWSMNRLXLX-UJJXFSCMSA-N
BMGC_DG01400,BMG_DG011839,,c12c(cc(nn1)-c3c(nn4ccccc43)-c5ccccc5)c(n[nH]2)N,,XVECMUKVOMUNLE-UHFFFAOYSA-N
BMGC_DG01401,BMG_DG011843,,COc1ccc(-c2nc(-c3ccc(OC)cc3)c4[nH]cnc4n2)cc1,,ZGJSQGNKCRURQW-UHFFFAOYSA-N
BMGC_DG01402,BMG_DG011844,,C(Cc1cc(ccc1)OC)(c2cn(c3ccccc23)CCCCC)=O,,XZVYWLVYUAQEIM-UHFFFAOYSA-N
BMGC_DG01403,BMG_DG011845,,,,
BMGC_DG01404,BMG_DG011849,C1CC2=C3C(=CC=C2)C(=CN3C1)[C@H]4[C@@H](C(=O)NC4=O)C5=CNC6=CC=CC=C65,C1(=O)[C@H]([C@H](c2c[nH]c3ccccc23)C(=O)N1)c4cn5c6c(CCC5)cccc64,"InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1",UCEQXRCJXIVODC-PMACEKPBSA-N
BMGC_DG01405,BMG_DG011852,,Nc1c(ccc(Cl)c1O)C(O)=O,,VWEPFJPQZFIOAU-UHFFFAOYSA-N
BMGC_DG01406,BMG_DG011853,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O,N12[C@@](O)(O[C@](C(C)C)(C1=O)NC([C@@H]3C[C@@]4([H])[C@]([H])(N(C)C3)Cc5c6c4cccc6[nH]c5)=O)[C@@]7(CCCN7C([C@@H]2CC(C)C)=O)[H],"InChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)/t20-,22-,24-,25+,26+,31-,32+/m1/s1",PBUNVLRHZGSROC-VTIMJTGVSA-N
BMGC_DG01407,BMG_DG011854,,,,
BMGC_DG01408,BMG_DG011862,,,,
BMGC_DG01409,BMG_DG011864,CC1CCC(C(C1)O)C(C)C.CC1=CC(=C(C=C1)C(C)C)O.CC1(C2CCC(O1)(CC2)C)C,,"InChI=1S/C10H18O.C10H20O.C10H14O/c1-9(2)8-4-6-10(3,11-9)7-5-8;2*1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-7H2,1-3H3;7-11H,4-6H2,1-3H3;4-7,11H,1-3H3",CSAVDNHVPJNKTC-UHFFFAOYSA-N
BMGC_DG01410,BMG_DG011868,,CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5ccc6nccnc6c5)CC4)cccc3[nH]2)cc1,,AVEVJMZJJJDOCI-UHFFFAOYSA-N
BMGC_DG01411,BMG_DG011879,CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCOP(=O)(O)O,N(c1c2c(cc(cc2)OCCCN(CCOP(=O)(O)O)CC)ncn1)c3cc(CC(Nc4cc(F)ccc4)=O)n[nH]3,"InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)",GBJVVSCPOBPEIT-UHFFFAOYSA-N
BMGC_DG01412,BMG_DG011883,C1[C@H]2CNC[C@@H]1C3=C2C=CC(=C3)C(F)(F)F,c1c(ccc2c1[C@H]3CNC[C@@H]2C3)C(F)(F)F,"InChI=1S/C12H12F3N/c13-12(14,15)9-1-2-10-7-3-8(6-16-5-7)11(10)4-9/h1-2,4,7-8,16H,3,5-6H2/t7-,8+/m0/s1",RNOBTWYQAWEZHH-JGVFFNPUSA-N
BMGC_DG01413,BMG_DG011886,CC[C@@H]1C[C@@H](C2=C(N1C(=O)OCC)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)OCCCC(=O)O,c1(OCCCC(=O)O)cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]3c4cc(C(F)(F)F)ccc4N(C(=O)OCC)[C@H](CC)C3)nc1,"InChI=1S/C32H31F9N4O5/c1-3-22-14-26(24-13-19(30(33,34)35)7-8-25(24)45(22)29(48)49-4-2)44(28-42-15-23(16-43-28)50-9-5-6-27(46)47)17-18-10-20(31(36,37)38)12-21(11-18)32(39,40)41/h7-8,10-13,15-16,22,26H,3-6,9,14,17H2,1-2H3,(H,46,47)/t22-,26+/m1/s1",NRWORBQAOQVYBJ-GJZUVCINSA-N
BMGC_DG01414,BMG_DG011890,CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCOCC4)C(=O)N5CCN(CC5)C(=O)[C@H](CCC[N+](C)(C)C)N)Cl)C,[N+](C)(C)(C)CCC[C@H](N)C(N1CCN(C(C2(NS(c3ccc(Cl)c(COc4c5nc(C)cc(C)c5ccc4)c3Cl)(=O)=O)CCOCC2)=O)CC1)=O,"InChI=1S/C36H49Cl2N6O6S/c1-24-22-25(2)40-33-26(24)8-6-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(47,48)41-36(13-20-49-21-14-36)35(46)43-17-15-42(16-18-43)34(45)29(39)9-7-19-44(3,4)5/h6,8,10-12,22,29,41H,7,9,13-21,23,39H2,1-5H3/q+1/t29-/m0/s1",FQVSDHOWSLEEKJ-LJAQVGFWSA-N
BMGC_DG01415,BMG_DG011893,C(CO[N+](=O)[O-])N(CCO[N+](=O)[O-])CCO[N+](=O)[O-],C(CO[N+](=O)[O-])N(CCO[N+](=O)[O-])CCO[N+](=O)[O-],InChI=1S/C6H12N4O9/c11-8(12)17-4-1-7(2-5-18-9(13)14)3-6-19-10(15)16/h1-6H2,HWKQNAWCHQMZHK-UHFFFAOYSA-N
BMGC_DG01416,BMG_DG011896,B1(C2=C(CO1)C=C(C=C2)F)O,c1c(cc2COB(c2c1)O)F,"InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2",LFQDNHWZDQTITF-UHFFFAOYSA-N
BMGC_DG01417,BMG_DG011903,CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)C)OC)CCC,O1c2c(c(OCCCOc3c(c(OC)c(cc3)C(=O)C)CCC)ccc2CCC1C(=O)O)CCC,"InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)",ZVVCSBSDFGYRCB-UHFFFAOYSA-N
BMGC_DG01418,BMG_DG011905,C1=CC=C2C(=C1)C(=CN2)CCN,c12c([nH]cc1CCN)cccc2,"InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2",APJYDQYYACXCRM-UHFFFAOYSA-N
BMGC_DG01419,BMG_DG011912,,,,
BMGC_DG01420,BMG_DG011913,,,,
BMGC_DG01421,BMG_DG011915,,O=C(O)COc1ccc(Br)cc1C2CCCCC2,,ZWQTTYNQLIMKNE-UHFFFAOYSA-N
BMGC_DG01422,BMG_DG011916,,C1[C@@]2([C@@](c3c(O1)cc4c(c3)C=CC(O4)(C)C)(Oc5c2ccc(c5)O)[H])[H],,OGFFMQWYZCTXCM-HNAYVOBHSA-N
BMGC_DG01423,BMG_DG011923,CNC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)OCCOCCOCC[18F],C(=C/c1ccc(NC)cc1)\c2ccc(OCCOCCOCC[18F])cc2,"InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+/i22-1",NCWZOASIUQVOFA-FWZJPQCDSA-N
BMGC_DG01424,BMG_DG011924,C([C@@H](C(=O)O)N)SS(=O)(=O)O,S(SC[C@H](N)C(O)=O)(O)(=O)=O,"InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1",NOKPBJYHPHHWAN-REOHCLBHSA-N
BMGC_DG01425,BMG_DG011925,,C(=O)(N1CCOCC1)c2c3c(c(nc2)Nc4cc(ccc4)Cl)ccn3C,,VARGWBUXBMFVJN-UHFFFAOYSA-N
BMGC_DG01426,BMG_DG011931,C1CN(CCC1NC2=C3C=C(SC3=NC=N2)Cl)CC4=CC(=C(C=C4)F)C#N,C(c1c(ccc(c1)CN2CCC(CC2)Nc3c4c(ncn3)sc(c4)Cl)F)#N,"InChI=1S/C19H17ClFN5S/c20-17-8-15-18(23-11-24-19(15)27-17)25-14-3-5-26(6-4-14)10-12-1-2-16(21)13(7-12)9-22/h1-2,7-8,11,14H,3-6,10H2,(H,23,24,25)",IENZFHBNCRQMNP-UHFFFAOYSA-N
BMGC_DG01427,BMG_DG011934,,,,
BMGC_DG01428,BMG_DG011937,CCCC1=CC(=C(C=C1)COC2=CC3=C(C=C2)C(=C(CC3)CN4CC(C4)C(=O)O)C)OC,N1(CC(C1)C(=O)O)CC2=C(c3ccc(cc3CC2)OCc4c(cc(cc4)CCC)OC)C,"InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)",QDDQIPUKAXBMBX-UHFFFAOYSA-N
BMGC_DG01429,BMG_DG011938,,N(CCc1ccccc1)C,,SASNBVQSOZSTPD-UHFFFAOYSA-N
BMGC_DG01430,BMG_DG011946,C1=CC(=C(C=C1Cl)Cl)CO[C@@H](CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl,c1(c(cc(cc1)Cl)Cl)[C@H](Cn2cncc2)OCc3c(cc(cc3)Cl)Cl,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m0/s1",BYBLEWFAAKGYCD-SFHVURJKSA-N
BMGC_DG01431,BMG_DG011947,[O-][Te](=O)[O-],,"InChI=1S/H2O3Te/c1-4(2)3/h(H2,1,2,3)/p-2",SITVSCPRJNYAGV-UHFFFAOYSA-L
BMGC_DG01432,BMG_DG011951,CC(C)(CC1=CC=C(C=C1)OC)NC[C@@H](C2=C3C(=CC(=C2)O)NC(=O)CO3)O,C1(Nc2c(OC1)c(cc(c2)O)[C@H](CNC(Cc3ccc(cc3)OC)(C)C)O)=O,"InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1",COUYJEVMBVSIHV-SFHVURJKSA-N
BMGC_DG01433,BMG_DG011957,,CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)CF,,JCRSHQCFRMCMOC-GSDHBNRESA-N
BMGC_DG01434,BMG_DG011961,CC(C)(CC1=CC=CC(=C1)CC(=O)NCC2=CC(=CC=C2)C3=CC=C(C=C3)O)NC[C@@H](C4=CC(=C(C=C4)O)NS(=O)(=O)C)O,C(Cc1cc(ccc1)CC(C)(C)NC[C@@H](c2cc(c(cc2)O)NS(=O)(=O)C)O)(=O)NCc3cc(ccc3)-c4ccc(cc4)O,"InChI=1S/C34H39N3O6S/c1-34(2,36-22-32(40)28-12-15-31(39)30(19-28)37-44(3,42)43)20-24-7-4-6-23(16-24)18-33(41)35-21-25-8-5-9-27(17-25)26-10-13-29(38)14-11-26/h4-17,19,32,36-40H,18,20-22H2,1-3H3,(H,35,41)/t32-/m0/s1",YPHDIMUXXABSSO-YTTGMZPUSA-N
BMGC_DG01435,BMG_DG011962,,,,
BMGC_DG01436,BMG_DG011964,,,,
BMGC_DG01437,BMG_DG011972,,[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)Oc2ccc(cc2)CO,,PUQSUZTXKPLAPR-UJPOAAIJSA-N
BMGC_DG01438,BMG_DG011976,,c1(c(Cl)cc(c(Cl)c1)S(=O)(=O)C)-c2c(Cl)cc(c(Cl)c2)S(=O)(=O)C,,RDBKPLOYRMCFIY-UHFFFAOYSA-N
BMGC_DG01439,BMG_DG011978,,,,
BMGC_DG01440,BMG_DG011988,,n1(nnnc1Cc2ccc(cc2)-c3ccccc3)C(=O)N(C)C,,GZNIYOXWFCDBBJ-UHFFFAOYSA-N
BMGC_DG01441,BMG_DG011991,,,,
BMGC_DG01442,BMG_DG012002,CC1=C(C2=C(N1CC3=CC=C(C=C3)S(=O)(=O)C)N=CC=C2)CC(=O)O,c12c(cccn1)c(c(n2Cc3ccc(cc3)S(=O)(=O)C)C)CC(=O)O,"InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)",YOPFAMROKXHVCQ-UHFFFAOYSA-N
BMGC_DG01443,BMG_DG012005,,n1(cnc2n(c(n(c(c12)=O)C)=O)C)CC(=O)Nc3ccc(cc3)C(C)C,,HEQDZPHDVAOBLN-UHFFFAOYSA-N
BMGC_DG01444,BMG_DG012013,C1CCC2=C(C1)C(=C3CCCCC3=N2)N,c1(c2c(CCCC2)nc3c1CCCC3)N,"InChI=1S/C13H18N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H2,(H2,14,15)",BMRFESVZYWRROS-UHFFFAOYSA-N
BMGC_DG01445,BMG_DG012014,C1CCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNC1)NC(=O)CC[C@@H](C(=O)O)N)NC(=O)CC[C@@H](C(=O)O)N,,"InChI=1S/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1",LZMSXDHGHZKXJD-VJANTYMQSA-N
BMGC_DG01446,BMG_DG012018,C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)C(=O)C=C(O4)C5=NNN=N5,,"InChI=1S/C27H23N5O4/c33-23-17-25(26-29-31-32-30-26)36-24-16-20(11-14-22(23)24)28-27(34)19-9-12-21(13-10-19)35-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-14,16-17H,4-5,8,15H2,(H,28,34)(H,29,30,31,32)",UAJUXJSXCLUTNU-UHFFFAOYSA-N
BMGC_DG01447,BMG_DG012022,CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)NO,Cn1c(=NO)[nH]c2c3c(ccc21)ncc(C)n3,"InChI=1S/C11H11N5O/c1-6-5-12-7-3-4-8-10(9(7)13-6)14-11(15-17)16(8)2/h3-5,17H,1-2H3,(H,14,15)",FVNCCTJGBOTWTM-UHFFFAOYSA-N
BMGC_DG01448,BMG_DG012024,CCCN1CCO[C@@H]2[C@@H]1COC3=C2C=C(C=C3)O,,"InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1",YOILXOMTHPUMRG-JSGCOSHPSA-N
BMGC_DG01449,BMG_DG012029,COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4,C1CCCN(C1)C\C=C\C(Nc2c(cc3c(c(Nc4ccc(c(c4)Cl)F)ncn3)c2)OC)=O,"InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+",LVXJQMNHJWSHET-AATRIKPKSA-N
BMGC_DG01450,BMG_DG012032,C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)O)CCC4=C3C=CC(=C4)O,C[C@@]12C(=O)[C@H](O)C[C@@]1([H])[C@]3([H])CCc4cc(O)ccc4[C@@]3([H])CC2,"InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1",WPOCIZJTELRQMF-QFXBJFAPSA-N
BMGC_DG01451,BMG_DG012034,,C1(OC[C@]21[C@@](C)(O)[C@H]3C[C@]4([C@@H](C[C@H]([C@]24O)O)C)[C@H](C(=O)O3)O)=O,,GEVWHIDSUOMVRI-QWNPAUMXSA-N
BMGC_DG01452,BMG_DG012044,CC[C@H]1C(=O)N([C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)C(C)C)CC)C)C,C(C[C@H]1C(=O)N(C)[C@H](C(N([C@H](C(=O)N(C)[C@@H]([C@@H]([C@@H](C/C=C/C)C)O)C(=O)N[C@H](C(=O)N([C@H](C)C(=O)N(CC)[C@@H](C(C)C)C(N[C@H](C(=O)N([C@H](C(N[C@H](C(N[C@@H](C(N1C)=O)C)=O)C)=O)CC(C)C)C)C(C)C)=O)C)CC)C(C)C)C)=O)CC(C)C)(C)C,"InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1",OLROWHGDTNFZBH-XEMWPYQTSA-N
BMGC_DG01453,BMG_DG012059,CC(C(C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,,"InChI=1S/C12H18N4O4/c1-7(15-3-9(17)13-10(18)4-15)8(2)16-5-11(19)14-12(20)6-16/h7-8H,3-6H2,1-2H3,(H,13,17,18)(H,14,19,20)",OBYGAPWKTPDTAS-UHFFFAOYSA-N
BMGC_DG01454,BMG_DG012064,,c1ccc2c(c1)c(cn2CCCCCO)C(C3C(C3(C)C)(C)C)=O,,AFWBYMXUEMOBRP-UHFFFAOYSA-N
BMGC_DG01455,BMG_DG012067,C1=CC(=C2C=C(SC2=C1)C(=O)N=C(N)N)C#N,c12c(cc(s1)C(=O)NC(=N)N)c(ccc2)C#N,"InChI=1S/C11H8N4OS/c12-5-6-2-1-3-8-7(6)4-9(17-8)10(16)15-11(13)14/h1-4H,(H4,13,14,15,16)",WGKIDCRTLNUROQ-UHFFFAOYSA-N
BMGC_DG01456,BMG_DG012072,CC=C1C(CC(N1C)C)(C2=CC=CC=C2)C3=CC=CC=C3,,"InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3",AJRJPORIQGYFMT-UHFFFAOYSA-N
BMGC_DG01457,BMG_DG012076,C1CN(CC1(F)F)C(=O)[C@@H]2C[C@@H](CN2)N3CCN(CC3)C4=NC=CC=N4,C1CC(CN1C([C@@H]2C[C@@H](CN2)N3CCN(CC3)c4ncccn4)=O)(F)F,"InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1",QWEWGXUTRTXFRF-KBPBESRZSA-N
BMGC_DG01458,BMG_DG012078,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C,N12[C@@](SC([C@@H]1C(OCOC(C(C)(C)C)=O)=O)(C)C)([H])[C@@H](C2=O)N=CN3CCCCCC3,"InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3/t14-,15+,17-/m1/s1",NPGNOVNWUSPMDP-HLLBOEOZSA-N
BMGC_DG01459,BMG_DG012088,,[N+]12(CCO)CCC(C(c3ccccc3)(c4ccccc4)O)(CC1)CC2,,PSBRYSHOOSHIOJ-UHFFFAOYSA-N
BMGC_DG01460,BMG_DG012095,,c1(ccc(cc1)Oc2ncnc3cc(c(cc23)OC)OC)CC(=O)Nc4cnn(c4)C(C)C,,TWYCZJMOEMMCGC-UHFFFAOYSA-N
BMGC_DG01461,BMG_DG012097,,O=C1N(C[C@H](CN(C(=O)c2ccc(Cl)s2)C)O1)c3ccc(cc3)N4C(=O)COCC4,,FAQYFCCIHWKTEZ-HNNXBMFYSA-N
BMGC_DG01462,BMG_DG012100,CC(C)(C)C1=C(C=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCO)N4CCCC4,c1(ccc(cc1)C(=O)O)-c2cc(c(cc2)OCCO)-c3cc(c(cc3)N4CCCC4)C(C)(C)C,"InChI=1S/C29H33NO4/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-30)24-18-22(11-13-27(24)34-17-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,4-5,14-17H2,1-3H3,(H,32,33)",MFBCDACCJCDGBA-UHFFFAOYSA-N
BMGC_DG01463,BMG_DG012108,C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC=CC=C5.[Br-],[N+]12(CCOCc3ccccc3)CCC(C(c4ccccc4)(c5ccccc5)O)(CC1)CC2.[Br-],"InChI=1S/C29H34NO2.BrH/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25;/h1-15,31H,16-24H2;1H/q+1;/p-1",PEJHHXHHNGORMP-UHFFFAOYSA-M
BMGC_DG01464,BMG_DG012109,C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC=CC=C5,[N+]12(CCOCc3ccccc3)CCC(C(c4ccccc4)(c5ccccc5)O)(CC1)CC2,"InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1",FVTWTVQXNAJTQP-UHFFFAOYSA-N
BMGC_DG01465,BMG_DG012115,C1C[N+]2(CCC1[C@H](C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5.[Br-],C1[C@H](OC(C(c2sccc2)(c3sccc3)O)=O)C4CC[N+]1(CCCOc5ccccc5)CC4.[Br-],"InChI=1S/C26H30NO4S2.BrH/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21;/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2;1H/q+1;/p-1/t20?,22-,27?;/m0./s1",XLAKJQPTOJHYDR-QTQXQZBYSA-M
BMGC_DG01466,BMG_DG012124,C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O,n1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(OP(OP(O)(=O)O)(=O)O)(=O)O)OC(c4ccc(cc4)C(c5ccccc5)=O)=O)O,"InChI=1S/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1",AWJJLYZBWRIBCZ-UGTJMOTHSA-N
BMGC_DG01467,BMG_DG012126,C1=CC2=C(C(=C1)Cl)OC3=CC(=C(C=C3O2)Cl)Cl,c1(Cl)cccc2Oc3cc(Cl)c(Cl)cc3Oc21,InChI=1S/C12H5Cl3O2/c13-6-2-1-3-9-12(6)17-11-5-8(15)7(14)4-10(11)16-9/h1-5H,GXPWNYXJJDQHBO-UHFFFAOYSA-N
BMGC_DG01468,BMG_DG012128,CN1C(CN=C(C2=CC=CC=C21)C3=CC=CC=C3F)CNC(=O)C4=CSC=C4,C1(N(c2c(cccc2)C(=NC1)c3c(cccc3)F)C)CNC(c4cscc4)=O,"InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)",NPGABYHTDVGGJK-UHFFFAOYSA-N
BMGC_DG01469,BMG_DG012130,C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OP(=O)(C)C)C)/C)O)OC)C)C)/C)OC,CP(O[C@@H]1CC[C@H](C[C@H]1OC)C[C@H]([C@]2(OC([C@]3(N(C(C([C@@]4(O[C@@](C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@@H](C)C([C@@H]([C@@H](/C(=C/[C@H](C(C2)=O)C)/C)O)OC)=O)C)/C)OC)([H])CC[C@H]4C)O)=O)=O)CCCC3)[H])=O)[H])C)(=O)C,"InChI=1S/C53H84NO14P/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-39)64-9)68-69(11,12)62)31-42(55)34(3)27-37(6)48(57)49(65-10)47(56)36(5)26-32/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,57,61H,16-17,20-26,28-31H2,1-12H3/b15-13+,18-14+,33-19+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1",BUROJSBIWGDYCN-GAUTUEMISA-N
BMGC_DG01470,BMG_DG012133,CCOC(=O)C1=NC=C2C(=C1C)C3=C(N2)C=CC=C3OC(C)C,c1cc(c2c3c(cnc(c3C)C(OCC)=O)[nH]c2c1)OC(C)C,"InChI=1S/C18H20N2O3/c1-5-22-18(21)17-11(4)15-13(9-19-17)20-12-7-6-8-14(16(12)15)23-10(2)3/h6-10,20H,5H2,1-4H3",VMDUABMKBUKKPG-UHFFFAOYSA-N
BMGC_DG01471,BMG_DG012141,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CO)O)I)O)O,c12c(C(=O)c3c(C1=O)cccc3)c(O)c4c(c2O)C[C@](C[C@@]4(O[C@H]5[C@@H]([C@@H]([C@@H](O)[C@@H](O5)C)O)I)[H])(C(=O)CO)O,"InChI=1S/C26H25IO11/c1-9-19(30)24(35)18(27)25(37-9)38-13-7-26(36,14(29)8-28)6-12-15(13)23(34)17-16(22(12)33)20(31)10-4-2-3-5-11(10)21(17)32/h2-5,9,13,18-19,24-25,28,30,33-36H,6-8H2,1H3/t9-,13-,18+,19-,24-,25-,26-/m0/s1",CIDNKDMVSINJCG-GKXONYSUSA-N
BMGC_DG01472,BMG_DG012145,C1C[C@H]2CN3CCNCC4=C3C(=CC=C4)[C@H]2C1,[H][C@@]12c3cccc4CNCCN(C[C@]1([H])CCC2)c43,"InChI=1S/C15H20N2/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17/h1,3,6,12-13,16H,2,4-5,7-10H2/t12-,13-/m0/s1",NPTIPEQJIDTVKR-STQMWFEESA-N
BMGC_DG01473,BMG_DG012147,,COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1Cn3ncc4ccc(NC(=O)OC5CCCC5)cc34,,YRCPIXCRSAKRGM-UHFFFAOYSA-N
BMGC_DG01474,BMG_DG012157,C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl,S1/C(/N(CC1)Cc2ccc(nc2)Cl)=N\C#N,"InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2",HOKKPVIRMVDYPB-UHFFFAOYSA-N;HOKKPVIRMVDYPB-UVTDQMKNSA-N
BMGC_DG01475,BMG_DG012158,,,,
BMGC_DG01476,BMG_DG012168,CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F,n12c(nc(c(c1=O)CCN3CCC(c4noc5c4ccc(F)c5)CC3)C)C(O)CCC2,"InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3",PMXMIIMHBWHSKN-UHFFFAOYSA-N
BMGC_DG01477,BMG_DG012170,CS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F,c1c(nn(c1-c2ccc(cc2)F)-c3ccc(cc3)S(C)(=O)=O)C(F)(F)F,"InChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3",JHBIMJKLBUMNAU-UHFFFAOYSA-N
BMGC_DG01478,BMG_DG012172,CC(=O)N1CC2(CC2)C3=C([C@@H]1C4=C(C=C(C=C4)Cl)OC)NC5=C3C(=CC=C5)F,N1(CC2(c3c([C@@H]1c4ccc(cc4OC)Cl)[nH]c5c3c(ccc5)F)CC2)C(C)=O,"InChI=1S/C22H20ClFN2O2/c1-12(27)26-11-22(8-9-22)19-18-15(24)4-3-5-16(18)25-20(19)21(26)14-7-6-13(23)10-17(14)28-2/h3-7,10,21,25H,8-9,11H2,1-2H3/t21-/m0/s1",ZBQMTQGDBFZUBG-NRFANRHFSA-N
BMGC_DG01479,BMG_DG012173,C1CCN(CC1)CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC=C5)N=C3,C(CN1CCCCC1)Oc2ccc(cc2)-c3cn4c(nc3)c(cn4)-c5ccncc5,"InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2",XHBVYDAKJHETMP-UHFFFAOYSA-N
BMGC_DG01480,BMG_DG012176,C[N+]1(CCC[C@H]1C(=O)[O-])C,C1C[N+]([C@H](C(=O)[O-])C1)(C)C,"InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1",CMUNUTVVOOHQPW-LURJTMIESA-N
BMGC_DG01481,BMG_DG012177,,C[C@H](NC(=O)c1cc(Cl)ccc1Oc2ccc(F)cc2)c3ccc(C(=O)O)cc3,,MWBNCZHVEXULBD-ZDUSSCGKSA-N
BMGC_DG01482,BMG_DG012178,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,C1[C@@H](O)C[C@]2([H])[C@](C)(C1)[C@@]3([C@](CC2)([H])[C@@]4(CC[C@@]([C@@]4(C)CC3)([C@H](C)CCC(NCC(=O)O)=O)[H])[H])[H],"InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1",XBSQTYHEGZTYJE-OETIFKLTSA-N
BMGC_DG01483,BMG_DG012184,,O=C1N(C[C@H](O1)CNC(=O)c2sc(cc2)Cl)c3ccc(cc3)N4C(=O)COCC4,,KGFYHTZWPPHNLQ-CQSZACIVSA-N
BMGC_DG01484,BMG_DG012191,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,SCCNC(CCNC(=O)[C@H](O)C(COP(O)(=O)O)(C)C)=O,"InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1",JDMUPRLRUUMCTL-VIFPVBQESA-N
BMGC_DG01485,BMG_DG012192,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,[C@H]1([C@H](O[C@H]([C@@H]([C@H]1O)O)Oc2ccc3c(CC[C@@]4([C@@]3(CC[C@]5([C@]4(CCC5=O)[H])C)[H])[H])c2)C(=O)O)O,"InChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1",FJAZVHYPASAQKM-JBAURARKSA-N
BMGC_DG01486,BMG_DG012197,CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,OC(=O)CNC([C@@H](NC(CC[C@@H](C(O)=O)N)=O)CSC)=O,"InChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1",QTQDDTSVRVWHMO-BQBZGAKWSA-N
BMGC_DG01487,BMG_DG012198,CC[C@H](C(=O)O)OC1=CC=CC(=C1)CN(CCCOC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4O3,N(Cc1cc(O[C@@H](C(O)=O)CC)ccc1)(CCCOc2ccc(cc2)OC)c3nc4c(o3)cccc4,"InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1",ZHKNLJLMDFQVHJ-RUZDIDTESA-N
BMGC_DG01488,BMG_DG012202,C[C@@H]1CN[C@H](C(=O)N([C@@H](C(=O)N[C@@H](C(=O)NCCCC2=CC=CC=C2O1)CC3=CC=C(C=C3)F)C)C)C4CC4,[C@@H]1(Oc2c(CCCNC([C@H](NC([C@H](N(C([C@@H](NC1)C3CC3)=O)C)C)=O)Cc4ccc(cc4)F)=O)cccc2)C,"InChI=1S/C30H39FN4O4/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36)/t19-,20-,25-,27+/m1/s1",WGYPAJVJMXQXTR-ABNZCKJZSA-N
BMGC_DG01489,BMG_DG012214,CC1=CC2=C(C=C1)C=C(S2)C(=O)NC3(CCCC3)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)NCC5CCN(CC5)CC6CCOCC6,N(C(=O)c1sc2c(c1)ccc(c2)C)C3(C(N[C@H](Cc4ccccc4)C(NCC5CCN(CC5)CC6CCOCC6)=O)=O)CCCC3,"InChI=1S/C37H48N4O4S/c1-26-9-10-30-23-33(46-32(30)21-26)35(43)40-37(15-5-6-16-37)36(44)39-31(22-27-7-3-2-4-8-27)34(42)38-24-28-11-17-41(18-12-28)25-29-13-19-45-20-14-29/h2-4,7-10,21,23,28-29,31H,5-6,11-20,22,24-25H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1",YQYSVMKCMIUCHY-WJOKGBTCSA-N
BMGC_DG01490,BMG_DG012216,COC1=NC=C(C=C1)C2(CCC(CC2)N3CC[C@H](C3)NC(=O)CNC(=O)C4=CC(=CC=C4)C(F)(F)F)O,O[C@@]1(c2cnc(OC)cc2)CC[C@H](N3CC[C@@H](NC(=O)CNC(c4cccc(C(F)(F)F)c4)=O)C3)CC1,"InChI=1S/C26H31F3N4O4/c1-37-23-6-5-19(14-30-23)25(36)10-7-21(8-11-25)33-12-9-20(16-33)32-22(34)15-31-24(35)17-3-2-4-18(13-17)26(27,28)29/h2-6,13-14,20-21,36H,7-12,15-16H2,1H3,(H,31,35)(H,32,34)/t20-,21?,25?/m1/s1",NXZNYBUBXWWKCP-JMOWIOHXSA-N;NXZNYBUBXWWKCP-DNRQZRRGSA-N
BMGC_DG01491,BMG_DG012230,CC(C)OCCN1C2=C(C(=O)NC1=S)NC=C2,c1(n(c2c(c([nH]1)=O)[nH]cc2)CCOC(C)C)=S,"InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)",FVJCUZCRPIMVLB-UHFFFAOYSA-N
BMGC_DG01492,BMG_DG012247,,C(c1c(cc(cc1)-c2sc(c(n2)OCCOCCCC)C)F)(=O)O,,HSAOETBFVAWNRP-UHFFFAOYSA-N
BMGC_DG01493,BMG_DG012250,,,,
BMGC_DG01494,BMG_DG012254,,c1cc(ccc1NC(=O)C[C@@H](C(=O)O)N)Oc2cc(c(cc2Br)F)F,,BNYDDAAZMBUFRG-ZDUSSCGKSA-N
BMGC_DG01495,BMG_DG012258,,N(c1c(ccc(c1)N2CCNCC2)S(=O)(=O)C)C(C)c3c(c(cc(c3)Cl)OC)OC,,BSLXKMCHXRCBIH-UHFFFAOYSA-N
BMGC_DG01496,BMG_DG012259,,Cc1c(C(N[C@@H]2CCCN(c3cc(C(=O)O)ccc3)C2)=O)sc(-c4ccc(Cl)cc4)n1,,UEIFAMIUBPSKHA-GOSISDBHSA-N
BMGC_DG01497,BMG_DG012270,,c1([nH]c2ccc(OC)cc2c1CCNC(=O)C)I,,FJDDSMSDZHURBJ-UHFFFAOYSA-N
BMGC_DG01498,BMG_DG012279,C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-],C(c1c([N+]([O-])=O)cc(C(F)(F)F)cc1)(C2C(=O)CCCC2=O)=O,"InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2",OUBCNLGXQFSTLU-UHFFFAOYSA-N
BMGC_DG01499,BMG_DG012282,,Cc1nc(C#Cc2cccs2)cs1,,SSSIEHWNKPXIHQ-UHFFFAOYSA-N
BMGC_DG01500,BMG_DG012283,CC1=CC(=NC2=C1C(=C(C=C2NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F)OC,c12c(c(cc(OC)c1Oc3cccc(C(F)(F)F)c3)NC(CCCN)C)nc(OC)cc2C,"InChI=1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3",LBHLFPGPEGDCJG-UHFFFAOYSA-N
BMGC_DG01501,BMG_DG012285,,Cc1nc(C#Cc2cccc(c2)C#N)cs1,,GRUPMMBRLDBTDD-UHFFFAOYSA-N
BMGC_DG01502,BMG_DG012294,,Fc1cccc(C#Cc2csc(Br)n2)c1,,XPOUXVRKZDTDJY-UHFFFAOYSA-N
BMGC_DG01503,BMG_DG012298,C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54,s1c2c(c(n1)N3CCN(CCCCN4C(=O)[C@]5([C@@](CCCC5)([H])C4=O)[H])CC3)cccc2,"InChI=1S/C23H30N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h3-4,9-10,17-18H,1-2,5-8,11-16H2/t17-,18+",FBVFZWUMDDXLLG-HDICACEKSA-N
BMGC_DG01504,BMG_DG012307,,CN1C(CCCC1)Cn2cc(c3c2cccc3)C(=O)C4C(C4(C)C)(C)C,,MOBWRRIAIHYXLB-UHFFFAOYSA-N
BMGC_DG01505,BMG_DG012310,CN1C=C(C2=CC=CC=C21)CNCC3CCN(CC3)C4=NC=C(C=N4)C(=O)NO,c1(ncc(cn1)C(=O)NO)N2CCC(CC2)CNCc3cn(c4ccccc34)C,"InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)",PAWIYAYFNXQGAP-UHFFFAOYSA-N
BMGC_DG01506,BMG_DG012312,,,,
BMGC_DG01507,BMG_DG012316,CC1=C(N=CN1)CN2CCN([C@H](C2=O)CC3=CC=CC=C3)C(=O)N[C@@H](CC(C)C)C(=O)O,C([C@@H]1N(C(N[C@@H](CC(C)C)C(O)=O)=O)CCN(C1=O)Cc2c(C)nc[nH]2)c3ccccc3,"InChI=1S/C23H31N5O4/c1-15(2)11-18(22(30)31)26-23(32)28-10-9-27(13-19-16(3)24-14-25-19)21(29)20(28)12-17-7-5-4-6-8-17/h4-8,14-15,18,20H,9-13H2,1-3H3,(H,24,25)(H,26,32)(H,30,31)/t18-,20-/m0/s1",COLCNDRDBCLVOC-ICSRJNTNSA-N
BMGC_DG01508,BMG_DG012317,,N1(CCN(CC1)Cc2cc3nc(nc(c3s2)N4CCOCC4)-c5cc(ccc5)O)CCO,,PFNYDAIJXABZEY-UHFFFAOYSA-N
BMGC_DG01509,BMG_DG012322,C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O,O[C@@]12[C@@](C)([C@H]([C@H](C1)OC(C)=O)C3=CC(OC3)=O)CC[C@]4([C@]2(CC[C@]5([C@]4(C)CC[C@@H](C5)O[C@]6(C[C@H](OC)[C@H]([C@@H](O6)C)O)[H])[H])[H])[H],"InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1",JLPDBLFIVFSOCC-XYXFTTADSA-N
BMGC_DG01510,BMG_DG012338,,,,
BMGC_DG01511,BMG_DG012339,,c1ccc2c(c1)c(cn2CC3CCOCC3)C(C4C(C4(C)C)(C)C)=O,,NQTMRZNYLIGQCF-UHFFFAOYSA-N
BMGC_DG01512,BMG_DG012343,,,,
BMGC_DG01513,BMG_DG012354,C1=CC(=C2C(=C1C(=O)N=C3C(=CN(C=C3Cl)O)Cl)C4=C(O2)C=CN=C4)OC(F)F,C(Nc1c(Cl)c[n+]([O-])cc1Cl)(=O)c2c3c(oc4c3cncc4)c(OC(F)F)cc2,"InChI=1S/C18H9Cl2F2N3O4/c19-10-6-25(27)7-11(20)15(10)24-17(26)8-1-2-13(29-18(21)22)16-14(8)9-5-23-4-3-12(9)28-16/h1-7,18,27H",IXQHNBONEVULTL-UHFFFAOYSA-N;CFRXVFRHMZLQBS-UHFFFAOYSA-N
BMGC_DG01514,BMG_DG012358,COC[C@@H](CN1C(=O)C=NN(C1=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3(CCCCCC3)O)O,c1(n(c(n(nc1)-c2cc(c(cc2)Cl)C(NCC3(CCCCCC3)O)=O)=O)C[C@H](COC)O)=O,"InChI=1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m1/s1",FUCKCIVGBCBZNP-MRXNPFEDSA-N
BMGC_DG01515,BMG_DG012363,C1CC(=O)N(OC1)CC2=CC(=C(C(=C2F)F)NC3=C(C=C(C=C3)I)F)C(=O)NOCCO,C(c1c(c(c(c(c1)CN2OCCCC2=O)F)F)Nc3c(cc(cc3)I)F)(=O)NOCCO,"InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)",FIMYFEGKMOCQKT-UHFFFAOYSA-N
BMGC_DG01516,BMG_DG012365,,Cc1n(c(nc1C(NN2CCCCC2)=O)-c3c(Cl)cc(cc3)Cl)-c4ccc(cc4)OS(CCC(F)(F)F)(=O)=O,,NHIXRYPUVCFFAF-UHFFFAOYSA-N
BMGC_DG01517,BMG_DG012376,,C#Cc1nc(C#Cc2cccc(c2)F)cs1,,SECGPKGEFXVRQQ-UHFFFAOYSA-N
BMGC_DG01518,BMG_DG012395,CC1=C(C=C(C=C1F)C(=O)NC2CC2)C3=NC=C(C=C3)C(=O)NCC(C)(C)C,c1(c(F)cc(C(NC2CC2)=O)cc1-c3ncc(C(NCC(C)(C)C)=O)cc3)C,"InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)",KKYABQBFGDZVNQ-UHFFFAOYSA-N
BMGC_DG01519,BMG_DG012398,,,,
BMGC_DG01520,BMG_DG012400,CCCCCCC(C)(C)C1=CC(=C(C(=C1)OC)[C@H]2C=C([C@H]3C[C@@H]2C3(C)C)CO)OC,[C@H]1([C@H]2C(C)(C)[C@@H](C(=C1)CO)C2)c3c(cc(cc3OC)C(CCCCCC)(C)C)OC,"InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m0/s1",CFMRIVODIXTERW-BDTNDASRSA-N
BMGC_DG01521,BMG_DG012401,,,,
BMGC_DG01522,BMG_DG012409,C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=C2)C(F)(F)F)C3=CC(=C(C=C3OC)F)C(C)C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F,c1(cc(cc(C(F)(F)F)c1)[C@@H]2[C@@H](N(C(O2)=O)Cc3cc(ccc3-c4cc(c(cc4OC)F)C(C)C)C(F)(F)F)C)C(F)(F)F,"InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1",MZZLGJHLQGUVPN-HAWMADMCSA-N
BMGC_DG01523,BMG_DG012411,CC(C)C[C@@H](C(=O)[C@]1(CO1)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC3=CC=CC=C3)NC(=O)CN4CCOCC4,O1C[C@@]1(C([C@@H](NC([C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC([C@H](CCc3ccccc3)NC(=O)CN4CCOCC4)=O)=O)CC(C)C)=O)C,"InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1",BLMPQMFVWMYDKT-NZTKNTHTSA-N
BMGC_DG01524,BMG_DG012431,,c1nc2c(c(n1N3CCCCCC3)=O)sc4c2c(ccn4)N(C)C,,GYWGXEGOXODOQU-UHFFFAOYSA-N
BMGC_DG01525,BMG_DG012433,,O=C(C1C(C1(C)C)(C)C)c2cn(c3c2cccc3)CCCC(F)(F)F,,PEXYKZYTXIEEOB-UHFFFAOYSA-N
BMGC_DG01526,BMG_DG012436,,O=c1n(c(nc2c1cccc2)CN3CCNCC3)-c4c(OCC)cccc4,,OBWOSMGNXYUDFB-UHFFFAOYSA-N
BMGC_DG01527,BMG_DG012439,C1=CC2=C(C=C1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F,FC(F)(F)CN(c1ccc2c(c1)c(C(F)(F)F)cc(=O)[nH]2)CC(F)(F)F,"InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26)",ULBPQWIGZUGPHU-UHFFFAOYSA-N
BMGC_DG01528,BMG_DG012440,,N(C(=O)Nc1cc(ccc1)-c2cccc(n2)N3CCCC3)c4ccc(cc4)Cl,,HDAYFSFWIPRJSO-UHFFFAOYSA-N
BMGC_DG01529,BMG_DG012442,CC1=CN(C=N1)C2=C(C=C(C=C2)/C=C/3\CCCN(C3=O)[C@@H](C)C4=CC=C(C=C4)F)OC,N1(C(/C(/CCC1)=C/c2cc(c(cc2)-n3cc(nc3)C)OC)=O)[C@@H](C)c4ccc(cc4)F,"InChI=1S/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1",PUOAETJYKQITMO-LANLRWRYSA-N
BMGC_DG01530,BMG_DG012444,,,,
BMGC_DG01531,BMG_DG012448,CNC(=O)C1=C(OC2=CC(=C(C=C21)C3CC3)N(CCO)S(=O)(=O)C)C4=CC=C(C=C4)F,c1c(F)ccc(-c2oc3c(cc(c(c3)N(CCO)S(C)(=O)=O)C4CC4)c2C(NC)=O)c1,"InChI=1S/C22H23FN2O5S/c1-24-22(27)20-17-11-16(13-3-4-13)18(25(9-10-26)31(2,28)29)12-19(17)30-21(20)14-5-7-15(23)8-6-14/h5-8,11-13,26H,3-4,9-10H2,1-2H3,(H,24,27)",WTDWVLJJJOTABN-UHFFFAOYSA-N
BMGC_DG01532,BMG_DG012449,,C([C@@H](N(Cc1ccc(cc1)-c2c(cccc2)-c3nnn[nH]3)C(=O)CCCC)C(C)C)(=O)OC,,UJTNRXYTECQKFO-QHCPKHFHSA-N
BMGC_DG01533,BMG_DG012450,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,c1cc2C(N([C@H](CS(=O)(C)=O)c3cc(c(cc3)OC)OCC)C(c2c(NC(=O)C)c1)=O)=O,"InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1",IMOZEMNVLZVGJZ-QGZVFWFLSA-N
BMGC_DG01534,BMG_DG012454,,C[C@@]12[C@@H](c3ccc4ccncc4c3)CC[C@@]1([H])[C@@]56CC[C@]7(C[C@H](N(C)C)[C@@H](O)[C@H](O)C7=CC5=CC2)O6,,KSGZCKSNTAJOJS-DZBMUNJRSA-N
BMGC_DG01535,BMG_DG012456,,Cc1cc(-c2c(Cl)cccc2Cl)cc3nnc(Nc4ccc(OCCN5CCCC5)cc4)nc13,,OTTCBLPTHPBEEX-UHFFFAOYSA-N
BMGC_DG01536,BMG_DG012460,C1=CC(=CC(=C1)Br)O,c1c(cccc1Br)O,"InChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H",MNOJRWOWILAHAV-UHFFFAOYSA-N
BMGC_DG01537,BMG_DG012471,,Nc1nc(C#Cc2cccnc2)cs1,,BQUGCIBMYSKXRH-UHFFFAOYSA-N
BMGC_DG01538,BMG_DG012482,,CC#CC(=O)Nc1ncc2c(c1)c(Nc3cc(c(cc3)F)Cl)ncn2,,DLPSDPPZXRJQOY-UHFFFAOYSA-N
BMGC_DG01539,BMG_DG012487,CC(C)(CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)O,C(C(CN1CCN(CC1)C2=Nc3c(Oc4c2cccc4)cccc3)(C)C)(=O)O,"InChI=1S/C22H25N3O3/c1-22(2,21(26)27)15-24-11-13-25(14-12-24)20-16-7-3-5-9-18(16)28-19-10-6-4-8-17(19)23-20/h3-10H,11-15H2,1-2H3,(H,26,27)",UEFWDVMEDFCHGW-UHFFFAOYSA-N
BMGC_DG01540,BMG_DG012490,C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C#N)N4C[C@H]5[C@H](C4)OCCN5)F)C(=O)O,c1(c(cc2c(c1C#N)n(cc(c2=O)C(=O)O)C3CC3)F)N4C[C@]5([C@](C4)(NCCO5)[H])[H],"InChI=1S/C20H19FN4O4/c21-14-5-11-17(25(10-1-2-10)7-13(19(11)26)20(27)28)12(6-22)18(14)24-8-15-16(9-24)29-4-3-23-15/h5,7,10,15-16,23H,1-4,8-9H2,(H,27,28)/t15-,16-/m0/s1",FYMHQCNFKNMJAV-HOTGVXAUSA-N
BMGC_DG01541,BMG_DG012491,C[C@@H](C1=CC=C(C=C1)F)NC2=NC(=C(C=C2C#N)F)NC3=CC(=NN3)OC(C)C,,"InChI=1S/C20H20F2N6O/c1-11(2)29-18-9-17(27-28-18)25-20-16(22)8-14(10-23)19(26-20)24-12(3)13-4-6-15(21)7-5-13/h4-9,11-12H,1-3H3,(H3,24,25,26,27,28)/t12-/m0/s1",QRAQXWWNHQMCBH-LBPRGKRZSA-N
BMGC_DG01542,BMG_DG012493,C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC=C(C=C3)C4=CC=CC=C4,c1cc(ccc1)-c2ccc(cc2)CCN3CC=C(CC3)c4cc(ccc4)C(F)(F)F,"InChI=1S/C26H24F3N/c27-26(28,29)25-8-4-7-24(19-25)23-14-17-30(18-15-23)16-13-20-9-11-22(12-10-20)21-5-2-1-3-6-21/h1-12,14,19H,13,15-18H2",CNEWKIDCGDXBDE-UHFFFAOYSA-N
BMGC_DG01543,BMG_DG012495,C1=CC(=CC(=C1)O)N,c1ccc(cc1O)N,"InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2",CWLKGDAVCFYWJK-UHFFFAOYSA-N
BMGC_DG01544,BMG_DG012498,C1C[C@H]([C@H](NC1)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F,O(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]2[C@](NCCC2)(c3ccccc3)[H],"InChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2/t17-,18-/m1/s1",FCDRFVCGMLUYPG-QZTJIDSGSA-N
BMGC_DG01545,BMG_DG012506,CC1=C(C=CC(=C1)NC2=NC=C(C(=N2)N[C@@H]3[C@@H]4C[C@H]([C@@H]3C(=O)N)C=C4)F)N5CCN(CC5)C,N([C@H]1[C@@H](C(=O)N)[C@@H]2C=C[C@H]1C2)c3c(F)cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)n3,"InChI=1S/C24H30FN7O/c1-14-11-17(5-6-19(14)32-9-7-31(2)8-10-32)28-24-27-13-18(25)23(30-24)29-21-16-4-3-15(12-16)20(21)22(26)33/h3-6,11,13,15-16,20-21H,7-10,12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)/t15-,16+,20+,21-/m1/s1",KSOVGRCOLZZTPF-QMKUDKLTSA-N
BMGC_DG01546,BMG_DG012510,C[C@@H](C1=CC=C(C=C1)C(=O)NCCC(=O)O)N2C(=CC(=N2)C3=CC(=CC(=C3)Cl)Cl)C4=CC5=C(C=C4)C=C(C=C5)OC,c1(cc(-c2nn([C@H](c3ccc(cc3)C(=O)NCCC(O)=O)C)c(c2)-c4ccc5c(ccc(c5)OC)c4)cc(c1)Cl)Cl,"InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1",DNTVJEMGHBIUMW-IBGZPJMESA-N
BMGC_DG01547,BMG_DG012511,,N(c1c2ccc(NC(=O)CCN3CCCC3)cc2nc4cc(NC(=O)CCN5CCCC5)ccc41)Cc6ccc(F)c(F)c6,,NGMQRZIFCCYTRG-UHFFFAOYSA-N
BMGC_DG01548,BMG_DG012527,,c1ccc(-c2nc(-c3ccccc3)c4[nH]cnc4n2)cc1,,WNVFFQZYOFELQA-UHFFFAOYSA-N
BMGC_DG01549,BMG_DG012533,,,,
BMGC_DG01550,BMG_DG012542,,,,
BMGC_DG01551,BMG_DG012543,C1=CC=C(C=C1)I,c1c(cccc1)I,InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H,SNHMUERNLJLMHN-UHFFFAOYSA-N
BMGC_DG01552,BMG_DG012550,C1CC(CCC1NS(=O)(=O)C(F)(F)F)(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl,,"InChI=1S/C19H17ClF5NO4S2/c20-12-1-4-15(5-2-12)31(27,28)18(16-11-13(21)3-6-17(16)22)9-7-14(8-10-18)26-32(29,30)19(23,24)25/h1-6,11,14,26H,7-10H2",WDZVWDXOIGQJIO-UHFFFAOYSA-N
BMGC_DG01553,BMG_DG012555,CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[Ca+2],[Ca+2].O=C(CCC([O-])=O)C.O=C(CCC([O-])=O)C,"InChI=1S/2C5H8O3.Ca/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+2/p-2",APKDPOQXVKRLEP-UHFFFAOYSA-L
BMGC_DG01554,BMG_DG012556,,[C@H]12CNC[C@@H](C(=C(C1)c3ccc(cc3)OCCOc4c(cc(cc4Cl)C)Cl)C(=O)N(Cc5c(c(ccc5)C)C)C6CC6)N2,,VKBBVOVNGWGZCA-UHFFFAOYSA-N
BMGC_DG01555,BMG_DG012564,CC(=O)CCC(=O)O,CC(=O)CCC(=O)O,"InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)",JOOXCMJARBKPKM-UHFFFAOYSA-N
BMGC_DG01556,BMG_DG012577,,c1cc2c(cc1)c(c(CCN(C)C)s2)[C@H](c3ccccn3)C,,NANQRVOKMXDMNL-AWEZNQCLSA-N
BMGC_DG01557,BMG_DG012585,CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5,c1ccc2ccc(nc2c1)COc3ccc(cc3)-c4c(cn(n4)C)-c5ccncc5,"InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3",AZEXWHKOMMASPA-UHFFFAOYSA-N
BMGC_DG01558,BMG_DG012597,C[N+](C)(C)CCOP(=O)(O)OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O,,"InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1",RZZPDXZPRHQOCG-OJAKKHQRSA-N
BMGC_DG01559,BMG_DG012600,,C(=O)(C1C(C1(C)C)(C)C)c2cn(c3ccccc23)CCN4CCOCC4,,ZCFHOMLAFTWDFM-UHFFFAOYSA-N
BMGC_DG01560,BMG_DG012611,,Nc1cccc(CCc2ccc3cc[nH]c3c2)n1,,OSHSZKRWKLQZBV-UHFFFAOYSA-N
BMGC_DG01561,BMG_DG012612,,Cc1nc(C#Cc2cccc(C(N)=O)c2)cs1,,WCIRCOOMYHNZHE-UHFFFAOYSA-N
BMGC_DG01562,BMG_DG012613,CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[Mg+2],[Mg+2].C(=O)(CCC(=O)C)[O-].C(=O)(CCC(=O)C)[O-],"InChI=1S/2C5H8O3.Mg/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+2/p-2",RECCGACJWKEPOU-UHFFFAOYSA-L
BMGC_DG01563,BMG_DG012620,CCCCCCCCC1=CC(=CC=C1)NC(=O)[C@@H](COP(=O)(O)O)N,,"InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-9-14-10-8-11-15(12-14)19-17(20)16(18)13-24-25(21,22)23/h8,10-12,16H,2-7,9,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1",MRUSUGVVWGNKFE-MRXNPFEDSA-N
BMGC_DG01564,BMG_DG012625,,N(C(=O)Nc1cc2c3CCCCc3n(c2cc1)C(C)C)(CCc4ccncc4)C,,YLNOMVNCZMWDST-UHFFFAOYSA-N
BMGC_DG01565,BMG_DG012631,,c1c(ccc2ncc(c(c21)[C@H](CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(=O)O)O)F)OC,,USGHRRVFKSLEJT-WVBUVRCRSA-N
BMGC_DG01566,BMG_DG012634,CCCCOC1=NC(=C2C(=N1)N(C(=O)N2)CCCN(CCCN3CCOCC3)CC4=CC=CC(=C4)CC(=O)OC)N,C(N(CCCN1CCOCC1)Cc2cc(CC(=O)OC)ccc2)CCn3c(=O)[nH]c4c(N)nc(OCCCC)nc43,"InChI=1S/C29H43N7O5/c1-3-4-16-41-28-32-26(30)25-27(33-28)36(29(38)31-25)13-7-12-35(11-6-10-34-14-17-40-18-15-34)21-23-9-5-8-22(19-23)20-24(37)39-2/h5,8-9,19H,3-4,6-7,10-18,20-21H2,1-2H3,(H,31,38)(H2,30,32,33)",FEFIBEHSXLKJGI-UHFFFAOYSA-N
BMGC_DG01567,BMG_DG012643,,O=C1C(Cc2c1cc(cc2)C)C,,MFCLOAFNUWAGGB-UHFFFAOYSA-N
BMGC_DG01568,BMG_DG012646,C=CCN.C1C(O1)CCl.C(=O)(O)O,,"InChI=1S/C3H5ClO.C3H7N.CH2O3/c4-1-3-2-5-3;1-2-3-4;2-1(3)4/h3H,1-2H2;2H,1,3-4H2;(H2,2,3,4)",PADGNZFOVSZIKZ-UHFFFAOYSA-N
BMGC_DG01569,BMG_DG012653,,c1(ccc(cc1)NCc2cc(ccc2)Oc3ccccc3)CCC(=O)O,,DGENZVKCTGIDRZ-UHFFFAOYSA-N
BMGC_DG01570,BMG_DG012654,,c12nc(cc(n1nc(c2CC(=O)N(CC)CC)-c3ccc(cc3)OC)C)C,,ILZWUAWCTNWSFZ-UHFFFAOYSA-N
BMGC_DG01571,BMG_DG012656,,c1(c(c2c(cc1)C(C[C@H](O2)c3cc(c(cc3)O)CC=C(C)C)=O)CC=C(C)C)O,,CUFAXDWQDQQKFF-DEOSSOPVSA-N
BMGC_DG01572,BMG_DG012657,CC[C@@H](C1=NC(=NO1)C)NC2=CC(=NC3=C(C(=NN23)C)C4=C(C=C(C=C4)OC)C)C,c1c(-c2c(nn3c(cc(nc23)C)N[C@@H](CC)c4onc(n4)C)C)c(C)cc(OC)c1,"InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1",VKHVAUKFLBBZFJ-SFHVURJKSA-N
BMGC_DG01573,BMG_DG012662,C1COC[C@H]1N2C3=NC(=NC=C3N=C2NC4=C(C=C(C=C4F)F)F)NC5CCC(CC5)O,[C@@H]1(CC[C@@H](CC1)Nc2nc3n(c(nc3cn2)Nc4c(cc(cc4F)F)F)[C@@]5(COCC5)[H])O,"InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12?,13-,14?/m0/s1",IBGLGMOPHJQDJB-MOKVOYLWSA-N;IBGLGMOPHJQDJB-IHRRRGAJSA-N
BMGC_DG01574,BMG_DG012663,CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N,n1(C2CCNCC2)cc(-c3cc(c(nc3)N)OC(c4c(c(ccc4Cl)F)Cl)C)cn1,"InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)",KTEIFNKAUNYNJU-UHFFFAOYSA-N
BMGC_DG01575,BMG_DG012664,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N.CS(=O)(=O)O.CS(=O)(=O)O,c1cc(C[C@H](C)NC(=O)[C@@H](N)CCCCN)ccc1.CS(=O)(=O)O.CS(=O)(=O)O,"InChI=1S/C15H25N3O.2CH4O3S/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16;2*1-5(2,3)4/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19);2*1H3,(H,2,3,4)/t12-,14-;;/m0../s1",CETWSOHVEGTIBR-FORAGAHYSA-N
BMGC_DG01576,BMG_DG012665,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N,c1cc(C[C@H](C)NC(=O)[C@@H](N)CCCCN)ccc1,"InChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14-/m0/s1",VOBHXZCDAVEXEY-JSGCOSHPSA-N
BMGC_DG01577,BMG_DG012676,,c1(nc2ccc(cc2[nH]1)Cl)-c3ncsc3,,YTPUQGNBJYGJTB-UHFFFAOYSA-N
BMGC_DG01578,BMG_DG012682,CCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O,c1(c(cc(cc1O)CCC)O)[C@H]2[C@H](C(=C)C)CCC(=C2)C,"InChI=1S/C19H26O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h9-11,15-16,20-21H,2,5-8H2,1,3-4H3/t15-,16+/m0/s1",REOZWEGFPHTFEI-JKSUJKDBSA-N
BMGC_DG01579,BMG_DG012684,,c1cc2c(cc1O)cc(C(=O)c3cc4cc(ccc4[nH]3)O)[nH]2,,NIMIWWQLOGNYHD-UHFFFAOYSA-N
BMGC_DG01580,BMG_DG012686,,O=c1cc(N2CCOCC2)oc3c(-c4cccs4)cccc13,,FEOKXELSWFEHJU-UHFFFAOYSA-N
BMGC_DG01581,BMG_DG012689,,C(c1ccc(O)c(OC)c1)[C@@H](C)[C@H](C)Cc2ccc(O)c(OC)c2,,ADFOLUXMYYCTRR-ZIAGYGMSSA-N
BMGC_DG01582,BMG_DG012690,,C(/C=C/c1ccc(cc1)C(F)(F)F)(=O)N2[C@@H](CCC2)CN3CCCC3,,LIWQRVPGHLYPQJ-JEJOPICUSA-N
BMGC_DG01583,BMG_DG012691,,c1c(C(C)C)c(O)c(C(C)C)cc1-c2cc(C(C)C)c(O)c(C(C)C)c2,,QAISRHCMPQROAX-UHFFFAOYSA-N
BMGC_DG01584,BMG_DG012692,,,,
BMGC_DG01585,BMG_DG012702,CN1C(=CC=N1)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)OC)OCCN4CCOCC4,c1(ccc(c(c1)-c2ccnn2C)OCCN3CCOCC3)NC(=O)c4cccc(c4)OC,"InChI=1S/C24H28N4O4/c1-27-22(8-9-25-27)21-17-19(26-24(29)18-4-3-5-20(16-18)30-2)6-7-23(21)32-15-12-28-10-13-31-14-11-28/h3-9,16-17H,10-15H2,1-2H3,(H,26,29)",ZEOQUKRCASTCFR-UHFFFAOYSA-N
BMGC_DG01586,BMG_DG012712,CCOC(=O)C(COC(=O)CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)C(=O)N(C)C)(C4=CC=CC=C4)C(=O)OCC,c1ccccc1C(C(=O)OCC)(C(=O)OCC)COC(=O)Cc2ccc(NC(=O)c3c(-c4ccc(C(F)(F)F)cc4)cccc3)c(c2)C(=O)N(C)C,"InChI=1S/C39H37F3N2O8/c1-5-50-36(48)38(37(49)51-6-2,27-12-8-7-9-13-27)24-52-33(45)23-25-16-21-32(31(22-25)35(47)44(3)4)43-34(46)30-15-11-10-14-29(30)26-17-19-28(20-18-26)39(40,41)42/h7-22H,5-6,23-24H2,1-4H3,(H,43,46)",FPUQGCOBYOXAED-UHFFFAOYSA-N
BMGC_DG01587,BMG_DG012723,,O=C(CCCCS)Nc1ccccc1,,AGRMYYLOBIRRKQ-UHFFFAOYSA-N
BMGC_DG01588,BMG_DG012725,,,,
BMGC_DG01589,BMG_DG012728,,CCCCn1c(Br)nc2c(N)ncnc12,,FKNNQOCJLMQVAV-UHFFFAOYSA-N
BMGC_DG01590,BMG_DG012734,C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4,c1(ccncc1)Nc2ccc(NCCc3c[nH]c4c3cccc4)cc2,"InChI=1S/C21H20N4/c1-2-4-21-20(3-1)16(15-24-21)9-14-23-17-5-7-18(8-6-17)25-19-10-12-22-13-11-19/h1-8,10-13,15,23-24H,9,14H2,(H,22,25)",CEGSUKYESLWKJP-UHFFFAOYSA-N
BMGC_DG01591,BMG_DG012738,CN(C)CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)/C=C/C(=O)NO,S(=O)(=O)(n1cc(cc1)/C=C/C(NO)=O)c2ccc(cc2)CN(C)C,"InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+",FECGNJPYVFEKOD-VMPITWQZSA-N
BMGC_DG01592,BMG_DG012742,CN1CCC(CC1)C(=O)C2=NC(=CC=C2)NC(=O)C3=C(C=C(C=C3F)F)F,C(=O)(c1nc(ccc1)NC(=O)c2c(cc(cc2F)F)F)C3CCN(CC3)C,"InChI=1S/C19H18F3N3O2/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,27)",XEDHVZKDSYZQBF-UHFFFAOYSA-N
BMGC_DG01593,BMG_DG012743,,,,
BMGC_DG01594,BMG_DG012744,C1CCC(C1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[N+](=O)[O-])O)O,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO[N+](=O)[O-])O)c3c(c(NC4CCCC4)ncn3)nc1,"InChI=1S/C15H20N6O6/c22-11-9(5-26-21(24)25)27-15(12(11)23)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1",AQLVRTWKJDTWQQ-SDBHATRESA-N
BMGC_DG01595,BMG_DG012746,CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(C=C2)[C@@H](C3=CC(=CC=C3)C(=O)O)O,c1(cccc(c1)C(O)=O)[C@H](c2ccc(cc2)COc3c(c(c(cc3)C(=O)C)O)CCC)O,"InChI=1S/C26H26O6/c1-3-5-22-23(13-12-21(16(2)27)25(22)29)32-15-17-8-10-18(11-9-17)24(28)19-6-4-7-20(14-19)26(30)31/h4,6-14,24,28-29H,3,5,15H2,1-2H3,(H,30,31)/t24-/m0/s1",DWQVYDLTPMGYNE-DEOSSOPVSA-N
BMGC_DG01596,BMG_DG012759,CCN(C1CCN(CC1)CC[C@H](C2CCN(CC2)S(=O)(=O)C)C3=CC(=CC(=C3)F)F)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C,,"InChI=1S/C31H43F2N3O5S2/c1-4-36(31(37)19-23-5-7-29(8-6-23)42(2,38)39)28-11-14-34(15-12-28)16-13-30(25-20-26(32)22-27(33)21-25)24-9-17-35(18-10-24)43(3,40)41/h5-8,20-22,24,28,30H,4,9-19H2,1-3H3/t30-/m1/s1",QOSMEMHKXNNIGG-SSEXGKCCSA-N
BMGC_DG01597,BMG_DG012775,C1[C@@H](OC2=C(O1)C=C(C=C2)Cl)CNS(=O)(=O)N,c1c(cc2c(c1)O[C@H](CO2)CNS(N)(=O)=O)Cl,"InChI=1S/C9H11ClN2O4S/c10-6-1-2-8-9(3-6)15-5-7(16-8)4-12-17(11,13)14/h1-3,7,12H,4-5H2,(H2,11,13,14)/t7-/m0/s1",KXSAIQPPGSSNKX-ZETCQYMHSA-N
BMGC_DG01598,BMG_DG012778,,c1(cn(CCCCC)c2c1cccc2)C(Cc3c(C)cccc3)=O,,YBIPNGRKUAVSBG-UHFFFAOYSA-N
BMGC_DG01599,BMG_DG012779,,c1(cc(c2c(o1)cc(cc2)OCc3cc(ccc3)Cl)CNC)=O,,JMGUSOLCNQVZCT-UHFFFAOYSA-N
BMGC_DG01600,BMG_DG012780,C=CCSCC=C,C=CCSCC=C,"InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2",UBJVUCKUDDKUJF-UHFFFAOYSA-N
BMGC_DG01601,BMG_DG012781,C1CCC(C1)C2=NC3=NC(=NC(=C3N2)C4=CC=CC=C4)C5=CC=CC=C5,,"InChI=1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26)",NDJOQVVSPLVIDN-UHFFFAOYSA-N
BMGC_DG01602,BMG_DG012783,,c1(nc(c(cn1)Cc2cc(c(cc2)OCc3ccc(cc3)OC)OC)N)N,,MYQAUKPBNJWPIE-UHFFFAOYSA-N
BMGC_DG01603,BMG_DG012786,C[C@@H](C1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5,n1c(n(c(c2cc(ccc12)F)=O)-c3ccccc3)[C@H](C)Nc4ncnc5nc[nH]c45,"InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1",DOCINCLJNAXZQF-LBPRGKRZSA-N
BMGC_DG01604,BMG_DG012787,CC1(CCN(CC1)C(=O)NC2=NC3=C(C=CC(=C3S2)N4CCOCC4)OC)O,c1cc(c2c(c1OC)nc(s2)NC(N3CCC(CC3)(O)C)=O)N4CCOCC4,"InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)",XNBRWUQWSKXMPW-UHFFFAOYSA-N
BMGC_DG01605,BMG_DG012794,,Cc1c(C(N[C@H]2CCCN(c3cc(C(=O)O)ccc3)C2)=O)sc(-c4ccc(Cl)cc4)n1,,UEIFAMIUBPSKHA-SFHVURJKSA-N
BMGC_DG01606,BMG_DG012796,C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H](C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O,,"InChI=1S/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,23,30)(H,26,27)/t7-,8+,10+,11+,13+,14+,15+,19?/m0/s1",BSOQXXWZTUDTEL-QAQREVAFSA-N
BMGC_DG01607,BMG_DG012800,CC(C)(CC(=O)NCCN1C=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)OC4=CC=CC(=C4)C(F)(F)F)Cl)O,c1(Nc2ccc(c(c2)Cl)Oc3cccc(c3)C(F)(F)F)ncnc4c1n(cc4)CCNC(=O)CC(C)(O)C,"InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)",ZYQXEVJIFYIBHZ-UHFFFAOYSA-N
BMGC_DG01608,BMG_DG012807,C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)CNC(=O)C)O,c1c(cccc1)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(CNC(C)=O)=O)C)CCC(N)=O)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCCCN)C(O)=O)=O)C)=O)C)=O)[C@@H](C)O)=O)CCCCN)=O)CO)=O,"InChI=1S/C46H75N13O15/c1-24(51-36(64)22-50-28(5)62)39(66)54-31(17-18-35(49)63)41(68)57-33(21-29-13-7-6-8-14-29)43(70)58-34(23-60)44(71)55-30(15-9-11-19-47)42(69)59-37(27(4)61)45(72)53-25(2)38(65)52-26(3)40(67)56-32(46(73)74)16-10-12-20-48/h6-8,13-14,24-27,30-34,37,60-61H,9-12,15-23,47-48H2,1-5H3,(H2,49,63)(H,50,62)(H,51,64)(H,52,65)(H,53,72)(H,54,66)(H,55,71)(H,56,67)(H,57,68)(H,58,70)(H,59,69)(H,73,74)/t24-,25-,26-,27+,30-,31-,32-,33-,34-,37-/m0/s1",KCSNGWMKFYVMKF-HGYIIGRXSA-N
BMGC_DG01609,BMG_DG012809,CCN(CC)C(=O)C1(CC1CN)C2=CC=CC=C2,,"InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3",GJJFMKBJSRMPLA-UHFFFAOYSA-N
BMGC_DG01610,BMG_DG012813,,c1cc(-c2ccsc2)c3c(c1)c(=O)cc(N4CCOCC4)o3,,MHMBRJOWOVNUNC-UHFFFAOYSA-N
BMGC_DG01611,BMG_DG012820,,FC(F)c1ncn-2c1Cn3ncnc3-c4cc(Br)ccc42,,AFJRYPJIKHMNGL-UHFFFAOYSA-N
BMGC_DG01612,BMG_DG012822,C1=CC(=CC=C1CCNC(=O)CC2=CC(=C(C=C2)O)Cl)S(=O)(=O)N,,"InChI=1S/C16H17ClN2O4S/c17-14-9-12(3-6-15(14)20)10-16(21)19-8-7-11-1-4-13(5-2-11)24(18,22)23/h1-6,9,20H,7-8,10H2,(H,19,21)(H2,18,22,23)",MALIONKMKPITBV-UHFFFAOYSA-N
BMGC_DG01613,BMG_DG012828,,C1CC21CN([C@@H]([C@H](C2)C(=O)NO)C(=O)N3CC=C(CC3)c4ccccc4)C(=O)OC,,CKZHFOKQZRZCPF-ROUUACIJSA-N
BMGC_DG01614,BMG_DG012829,CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5,n1c2cccc(c2c(n(c1[C@H](CC)Nc3c4nc[nH]c4ncn3)-c5ccccc5)=O)F,"InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1",IFSDAJWBUCMOAH-HNNXBMFYSA-N
BMGC_DG01615,BMG_DG012830,,Fc1ccc(-c2noc(NC(Cc3c(Cl)cccc3F)=O)c2-c4ccncn4)cc1,,OHMPXDCOVKOOAN-UHFFFAOYSA-N
BMGC_DG01616,BMG_DG012833,C1CC2=C(C=CC(=C2)F)O[C@H]1[C@H](CNC[C@@H]([C@@H]3CCC4=C(O3)C=CC(=C4)F)O)O.Cl,,"InChI=1S/C22H25F2NO4.ClH/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22;/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2;1H/t17-,18-,21-,22+;/m0./s1",JWEXHQAEWHKGCW-BIISKSHESA-N
BMGC_DG01617,BMG_DG012834,C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N,n1(C2CCNCC2)cc(-c3cc(c(nc3)N)O[C@@H](c4c(c(ccc4Cl)F)Cl)C)cn1,"InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1",KTEIFNKAUNYNJU-GFCCVEGCSA-N
BMGC_DG01618,BMG_DG012837,COC(=O)N1CCC(CC1)CC#CC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)C(=O)NC5CC5)O)O)N,O[C@H]1[C@H](n2c3c(nc2)c(N)nc(n3)C#CCC4CCN(CC4)C(OC)=O)O[C@@H]([C@H]1O)C(NC5CC5)=O,"InChI=1S/C23H29N7O6/c1-35-23(34)29-9-7-12(8-10-29)3-2-4-14-27-19(24)15-20(28-14)30(11-25-15)22-17(32)16(31)18(36-22)21(33)26-13-5-6-13/h11-13,16-18,22,31-32H,3,5-10H2,1H3,(H,26,33)(H2,24,27,28)/t16-,17+,18-,22+/m0/s1",SQJXTUJMBYVDBB-RQXXJAGISA-N
BMGC_DG01619,BMG_DG012848,,Nc1nc(C#Cc2cccc(F)c2)cs1,,XTUCFPVDIBJRML-UHFFFAOYSA-N
BMGC_DG01620,BMG_DG012853,,c1c(c(cc(c1)CCNC(=O)/C=C/c2ccc(cc2)O)O)O,,KZUJJPCTENPKOE-XBXARRHUSA-N
BMGC_DG01621,BMG_DG012855,,S\1C(NC(/C1=C/c2oc(cc2)-c3c(cc(cc3)F)O)=O)=O,,OYYVWNDMOQPMGE-SDQBBNPISA-N
BMGC_DG01622,BMG_DG012862,,C1(N(C(C(N1CCCS(=O)(=O)N)(C)C)=O)c2cc(c(cc2)C#N)Cl)=S,,DSIHXMZSDDJEHM-UHFFFAOYSA-N
BMGC_DG01623,BMG_DG012864,CC(C)[C@]1(CC(=NO1)C2=NC=CC3=CC=CC=C32)C(=O)N[C@H]4CC(=O)O[C@@]4(CF)O,c1c2ccnc(C=3C[C@@](C(C)C)(C(N[C@H]4CC(O[C@@]4(CF)O)=O)=O)ON3)c2ccc1,"InChI=1S/C21H22FN3O5/c1-12(2)20(19(27)24-16-9-17(26)29-21(16,28)11-22)10-15(25-30-20)18-14-6-4-3-5-13(14)7-8-23-18/h3-8,12,16,28H,9-11H2,1-2H3,(H,24,27)/t16-,20+,21+/m0/s1",VYFGDLGHHBUDTQ-ZLGUVYLKSA-N
BMGC_DG01624,BMG_DG012865,,,,
BMGC_DG01625,BMG_DG012867,,N1(CCN(CC1)c2c(cccc2)OC)CCCCc3cc(no3)-c4cc(c(cc4)OC)OC,,GDILZWFRCXVWFM-UHFFFAOYSA-N
BMGC_DG01626,BMG_DG012871,CO[C@@H]1C[C@@H](N(C1)C(=O)NC2=CC=C(C=C2)Cl)C(=O)NC3=C(C=C(C=C3)N4C=CC=CC4=O)F,c1cn(-c2cc(c(cc2)NC(=O)[C@@H]3N(C[C@@H](C3)OC)C(Nc4ccc(cc4)Cl)=O)F)c(cc1)=O,"InChI=1S/C24H22ClFN4O4/c1-34-18-13-21(30(14-18)24(33)27-16-7-5-15(25)6-8-16)23(32)28-20-10-9-17(12-19(20)26)29-11-3-2-4-22(29)31/h2-12,18,21H,13-14H2,1H3,(H,27,33)(H,28,32)/t18-,21-/m1/s1",QQBKAVAGLMGMHI-WIYYLYMNSA-N
BMGC_DG01627,BMG_DG012872,CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](C2=C(N=C(C=C2)C)C)C(=O)N3CCOCC3)C4CC5=CC=CC=C5C4,c12c(cccc1)CC([C@H]3NC(=O)[C@@]([C@@H](C)CC)(N([C@H](c4ccc(C)nc4C)C(N5CCOCC5)=O)C3=O)[H])C2,"InChI=1S/C30H38N4O4/c1-5-18(2)26-28(35)32-25(23-16-21-8-6-7-9-22(21)17-23)29(36)34(26)27(24-11-10-19(3)31-20(24)4)30(37)33-12-14-38-15-13-33/h6-11,18,23,25-27H,5,12-17H2,1-4H3,(H,32,35)/t18-,25+,26+,27+/m0/s1",UWHCWRQFNKUYCG-QUZACWSFSA-N
BMGC_DG01628,BMG_DG012874,,[C@@H]1([C@@]2(C(N(c3cc(Cl)cc(Cl)c3)C(=O)N2C)=O)CN(Cc4scc(c4)C(O)=O)C1)c5ccc(cc5)C#N,,NXNKJLOEGWSJGI-BKMJKUGQSA-N
BMGC_DG01629,BMG_DG012875,CN1CCC[C@H]1CCNC(=O)C2=CN3C4=CC5=CC=CC=C5C=C4OC6=C3C(=CC(=C6N7CCC(C7)C8=NC=CN=C8)F)C2=O,C1(CN(CC1)c2c(F)cc3c(c(cn-4c3c2Oc5c4cc6c(c5)cccc6)C(NCC[C@@H]7CCCN7C)=O)=O)c8nccnc8,"InChI=1S/C35H33FN6O3/c1-40-13-4-7-24(40)8-10-39-35(44)26-20-42-29-15-21-5-2-3-6-22(21)16-30(29)45-34-31(42)25(33(26)43)17-27(36)32(34)41-14-9-23(19-41)28-18-37-11-12-38-28/h2-3,5-6,11-12,15-18,20,23-24H,4,7-10,13-14,19H2,1H3,(H,39,44)/t23?,24-/m0/s1",WOQIDNWTQOYDLF-CGAIIQECSA-N
BMGC_DG01630,BMG_DG012888,,c1cc2c(c[nH]c2nc1)-c3ccnc(N)n3,,HQHSJJZIICGOIX-UHFFFAOYSA-N
BMGC_DG01631,BMG_DG012889,,C1[C@@]2([H])[C@@](CN1)(C2)c3cc(c(cc3)Cl)Cl,,BSMNRYCSBFHEMQ-GZMMTYOYSA-N
BMGC_DG01632,BMG_DG012891,,O=C(CCCCCSc1ccccc1)NO,,RFQHGQGHSXXDPZ-UHFFFAOYSA-N
BMGC_DG01633,BMG_DG012901,,Cn1c(c(-c2ccc(F)cc2)nc1[S+](C)[O-])-c3cc(NC(C)=O)ncc3,,DRMJRHUMYBYDIX-UHFFFAOYSA-N
BMGC_DG01634,BMG_DG012907,CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O,Nc1nccn2c([C@H]3C[C@@](C)(O)C3)nc(-c4cc5c(cc4)ccc(-c6ccccc6)n5)c21,"InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)",PKCDDUHJAFVJJB-UHFFFAOYSA-N;PKCDDUHJAFVJJB-VLZXCDOPSA-N
BMGC_DG01635,BMG_DG012911,C1CNC(=O)N(C1)C2CCN(CC2)C(=O)[C@@H](CS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)O,Clc1ccc2c(c1)ccc(S(C[C@@H](O)C(N3CCC(N4C(=O)NCCC4)CC3)=O)(=O)=O)c2,"InChI=1S/C22H26ClN3O5S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(30,31)14-20(27)21(28)25-10-6-18(7-11-25)26-9-1-8-24-22(26)29/h2-5,12-13,18,20,27H,1,6-11,14H2,(H,24,29)/t20-/m1/s1",GEHAEMCVKDPMKO-HXUWFJFHSA-N
BMGC_DG01636,BMG_DG012912,,C(=O)(c1c(ccc(c1)S(=O)(=O)C)O[C@H](C(F)(F)F)C)N2Cc3ccc(cc3C2)C4CCOCC4,,IHLMQHFPWQMCHB-HNNXBMFYSA-N
BMGC_DG01637,BMG_DG012921,CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O,[C@@]1(c2c(c3ccccc3[nH]2)CCN4C[C@](C1)(C[C@@](C4)(O)CC)[H])(c5cc6[C@@]78[C@@]([C@](C(=O)N)(O)[C@@H]([C@]9([C@@]7(N(CC=C9)CC8)[H])CC)O)([H])N(c6cc5OC)C)C(=O)OC,"InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34-,35+,36+,39-,40+,41+,42-,43-/m0/s1",HHJUWIANJFBDHT-ZVTSDNJWSA-N
BMGC_DG01638,BMG_DG012940,C[N+]#[C-],C[N+]#[C-],InChI=1S/C2H3N/c1-3-2/h1H3,ZRKSVHFXTRFQFL-UHFFFAOYSA-N
BMGC_DG01639,BMG_DG012942,CN(CCCNCC1=CC2=C(C=C1)OCO2)C3=NC(=NS3)N4C=CN=C4,,"InChI=1S/C17H20N6O2S/c1-22(17-20-16(21-26-17)23-8-6-19-11-23)7-2-5-18-10-13-3-4-14-15(9-13)25-12-24-14/h3-4,6,8-9,11,18H,2,5,7,10,12H2,1H3",ZJFFPGMGWOEQLF-UHFFFAOYSA-N
BMGC_DG01640,BMG_DG012943,COC1=CC2=C(C=C1)NC=C2CN3CCC(CC3)(C4=CC=C(C=C4)SC)O,,"InChI=1S/C22H26N2O2S/c1-26-18-5-8-21-20(13-18)16(14-23-21)15-24-11-9-22(25,10-12-24)17-3-6-19(27-2)7-4-17/h3-8,13-14,23,25H,9-12,15H2,1-2H3",LIFHVPXIKLLTMH-UHFFFAOYSA-N
BMGC_DG01641,BMG_DG012945,CCCC(CCC)C(=O)NC1=NC(=O)N(C=C1)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F,FC1(F)[C@H](O)[C@@H](CO)O[C@H]1n2c(=O)nc(NC(=O)C(CCC)CCC)cc2,"InChI=1S/C17H25F2N3O5/c1-3-5-10(6-4-2)14(25)20-12-7-8-22(16(26)21-12)15-17(18,19)13(24)11(9-23)27-15/h7-8,10-11,13,15,23-24H,3-6,9H2,1-2H3,(H,20,21,25,26)/t11-,13-,15-/m1/s1",MEOYFIHNRBNEPI-UXIGCNINSA-N
BMGC_DG01642,BMG_DG012946,,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c3ccc(OC(F)(F)F)cc3,,GOHCTCOGYKAJLZ-UHFFFAOYSA-N
BMGC_DG01643,BMG_DG012949,C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5,c1ccc2c(c1)nc(n2-c3nc(nc(n3)N4CCOCC4)N5CCOCC5)C(F)F,"InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2",HGVNLRPZOWWDKD-UHFFFAOYSA-N
BMGC_DG01644,BMG_DG012952,C[Se]C,[Se](C)C,InChI=1S/C2H6Se/c1-3-2/h1-2H3,RVIXKDRPFPUUOO-UHFFFAOYSA-N
BMGC_DG01645,BMG_DG012956,C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C4=NN(C=C4C5=CC=NC=C5)CC(F)(F)F,,"InChI=1S/C26H19F3N4O/c27-26(28,29)17-33-15-23(18-11-13-30-14-12-18)25(32-33)20-6-9-22(10-7-20)34-16-21-8-5-19-3-1-2-4-24(19)31-21/h1-15H,16-17H2",NOIXNOMHHWGUTG-UHFFFAOYSA-N
BMGC_DG01646,BMG_DG012971,,,,
BMGC_DG01647,BMG_DG012972,,c1cc(CCN)sc1,,HVLUYXIJZLDNIS-UHFFFAOYSA-N
BMGC_DG01648,BMG_DG012974,,C(C[C@@H](/C(=C\C)/C=O)CC=O)(=O)OCCc1ccc(cc1)O,,VPOVFCBNUOUZGG-VAKDEWRISA-N
BMGC_DG01649,BMG_DG012986,,,,
BMGC_DG01650,BMG_DG012991,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl,c1(ccccc1Nc2c(cc(cc2Cl)O)Cl)CC(O)=O,"InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)",KGVXVPRLBMWZLG-UHFFFAOYSA-N
BMGC_DG01651,BMG_DG012996,,n1ccc(c2ccc(cc12)OCCN3CCOCC3)-c4c5n(nc4-c6ccccn6)CCC5,,IHLVSLOZUHKNMQ-UHFFFAOYSA-N
BMGC_DG01652,BMG_DG012997,CN1CC[C@@H]([C@@H](C1)F)N(C)C(=O)N2CC(=C[C@@]2(CO)C3=CC=CC=C3)C4=C(C=CC(=C4)F)F,[C@@]1(CO)(c2ccccc2)N(C(N([C@@H]3[C@@H](CN(CC3)C)F)C)=O)CC(c4cc(ccc4F)F)=C1,"InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1",MYBGWENAVMIGMM-GIFXNVAJSA-N
BMGC_DG01653,BMG_DG012999,,Cc1ccc2c(N3CCN(CCc4c5OCc6c(C(=O)N)ncn6-c5ccc4)CC3)cccc2n1,,HLQJZFFWUXHYMB-UHFFFAOYSA-N
BMGC_DG01654,BMG_DG013004,CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F,c1cc(ccc1Nc2nc3cc(Oc4ccnc(c4)-c5ncc([nH]5)C(F)(F)F)ccc3n2C)C(F)(F)F,"InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)",YABJJWZLRMPFSI-UHFFFAOYSA-N
BMGC_DG01655,BMG_DG013010,,O=C1N2[C@@]3([C@](C[C@]24C(N([C@@]1(CO)SS4)C)=O)(c5c(N3)cccc5)[C@@]67[C@@](N8[C@]9(C6)C(=O)N([C@](C8=O)(SS9)CO)C)(Nc%10c7cccc%10)[H])[H],,PZPPOCZWRGNKIR-PNVYSBBASA-N
BMGC_DG01656,BMG_DG013017,CC(=CCC/C(=C/CNC(=O)C1CC1)/C)C,CC(=CCC/C(=C/CNC(=O)C1CC1)/C)C,"InChI=1S/C14H23NO/c1-11(2)5-4-6-12(3)9-10-15-14(16)13-7-8-13/h5,9,13H,4,6-8,10H2,1-3H3,(H,15,16)/b12-9+",UKNMSFRSBQONET-FMIVXFBMSA-N
BMGC_DG01657,BMG_DG013018,C1[C@H]2[C@@]1(CNC2)C3=CC(=C(C=C3)Cl)Cl,Clc1cc([C@]23[C@H](C2)CNC3)ccc1Cl;C1[C@]2([H])[C@@](CN1)(c3cc(c(cc3)Cl)Cl)C2,"InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11+/m1/s1",BSMNRYCSBFHEMQ-KCJUWKMLSA-N
BMGC_DG01658,BMG_DG013019,C[C@H]1CNCCC2=C1C=C(C=C2)Cl.O.Cl,,"InChI=1S/C11H14ClN.ClH.H2O/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9;;/h2-3,6,8,13H,4-5,7H2,1H3;1H;1H2/t8-;;/m0../s1",NBENLXSMFWRJRU-JZGIKJSDSA-N
BMGC_DG01659,BMG_DG013020,C[C@H]1CNCCC2=C1C=C(C=C2)Cl,C1CNC[C@@H](c2c1ccc(c2)Cl)C,"InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1",XTTZERNUQAFMOF-QMMMGPOBSA-N
BMGC_DG01660,BMG_DG013025,,,,
BMGC_DG01661,BMG_DG013030,,,,
BMGC_DG01662,BMG_DG013033,C1CN(CCC1O)CC2=CC3=C(C=C2)OC4=CC=CC5=C4C3=NNC5=O,c1([nH]nc-2c3c(cccc13)Oc4ccc(cc42)CN5CCC(CC5)O)=O,"InChI=1S/C20H19N3O3/c24-13-6-8-23(9-7-13)11-12-4-5-16-15(10-12)19-18-14(20(25)22-21-19)2-1-3-17(18)26-16/h1-5,10,13,24H,6-9,11H2,(H,22,25)",HAVFFEMDLROBGI-UHFFFAOYSA-N
BMGC_DG01663,BMG_DG013043,C[C@@H](C(=O)NC1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(N3)NC(=O)OC)N,c1(ccc(cc1)Sc2cc3c(cc2)nc([nH]3)NC(OC)=O)NC(=O)[C@H](C)N,"InChI=1S/C18H19N5O3S/c1-10(19)16(24)20-11-3-5-12(6-4-11)27-13-7-8-14-15(9-13)22-17(21-14)23-18(25)26-2/h3-10H,19H2,1-2H3,(H,20,24)(H2,21,22,23,25)/t10-/m0/s1",GAOHLWCIAJNSEE-JTQLQIEISA-N
BMGC_DG01664,BMG_DG013063,,COc1ccccc1C#Cc2csc(C)n2,,WOLUACOHPFWBIX-UHFFFAOYSA-N
BMGC_DG01665,BMG_DG013073,C1CC1CN2CC[C@]34CC(=O)CC[C@]3([C@H]2CC5=C4C(=C(C=C5)C(=O)N)O)O,Oc1c(ccc2C[C@H]3N(CC4CC4)CC[C@@]5(CC(=O)CC[C@]53O)c21)C(N)=O,"InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1",RYIDHLJADOKWFM-MAODMQOUSA-N
BMGC_DG01666,BMG_DG013074,CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C,c1cc(c(nc1)NCc2ccncc2)C(Nc3cc4c(cc3)C(CN4)(C)C)=O,"InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)",RAHBGWKEPAQNFF-UHFFFAOYSA-N
BMGC_DG01667,BMG_DG013076,,S(CC)(O)(=O)=O,,CCIVGXIOQKPBKL-UHFFFAOYSA-N
BMGC_DG01668,BMG_DG013078,,O=c1cc(N2CCOCC2)oc3c(-c4cccc5c4oc6ccccc65)cccc13,,LEWYWLXLBNVBFP-UHFFFAOYSA-N
BMGC_DG01669,BMG_DG013085,,C(C[C@@H]([C@H](C(=O)O)OC(/C=C/c1ccc(cc1)O)=O)OC(/C=C/c2ccc(cc2)O)=O)(=O)O,,VJLMRHSHSNLOGC-NOPZTHQXSA-N
BMGC_DG01670,BMG_DG013088,CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,,"InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)",LFTYTUAZOPRMMI-UHFFFAOYSA-N
BMGC_DG01671,BMG_DG013092,CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)N4CCN(CC4)C5=NC=C(C=C5)C(F)(F)F,C(N)(=O)[C@@]12CC3[C@H](C(C1)CC(C2)C3)NC(C(C)(C)N4CCN(CC4)c5ccc(cn5)C(F)(F)F)=O,"InChI=1S/C25H34F3N5O2/c1-23(2,33-7-5-32(6-8-33)19-4-3-18(14-30-19)25(26,27)28)22(35)31-20-16-9-15-10-17(20)13-24(11-15,12-16)21(29)34/h3-4,14-17,20H,5-13H2,1-2H3,(H2,29,34)(H,31,35)",CLHMYBJIOZXCEX-UHFFFAOYSA-N;CLHMYBJIOZXCEX-MALZWFGSSA-N
BMGC_DG01672,BMG_DG013096,CC1(C(=O)N(C2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)COP(=O)(O)O)C,c1(ccc2OC(C(N(c2n1)COP(O)(O)=O)=O)(C)C)Nc3c(F)cnc(Nc4cc(c(OC)c(OC)c4)OC)n3,"InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)",GKDRMWXFWHEQQT-UHFFFAOYSA-N
BMGC_DG01673,BMG_DG013102,C1CC(CCC1OP(=O)([O-])OC[C@@H](CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3.[Na+].[Na+].[Na+].[Gd+3],[Gd+3].O(C[C@@H](CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])P(=O)(OC1CCC(CC1)(c2ccccc2)c3ccccc3)[O-].[Na+].[Na+].[Na+],"InChI=1S/C33H44N3O14P.Gd.3Na/c37-28(38)18-34(15-16-35(19-29(39)40)20-30(41)42)17-26(36(21-31(43)44)22-32(45)46)23-49-51(47,48)50-27-11-13-33(14-12-27,24-7-3-1-4-8-24)25-9-5-2-6-10-25;;;;/h1-10,26-27H,11-23H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48);;;;/q;+3;3*+1/p-6/t26-;;;;/m1..../s1",XGOSYNSWSRUASG-SSMZTGFVSA-H
BMGC_DG01674,BMG_DG013106,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)[C@H](C)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O)OC(=O)CCCCCCCCCCCCCCC,,"InChI=1S/C59H109N6O19P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-50(69)79-40-46(83-51(70)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)41-81-85(77,78)80-38-37-61-56(73)42(3)62-49(68)36-35-47(55(60)72)65-57(74)43(4)63-58(75)44(5)82-54-52(64-45(6)67)59(76)84-48(39-66)53(54)71/h42-44,46-48,52-54,59,66,71,76H,7-41H2,1-6H3,(H2,60,72)(H,61,73)(H,62,68)(H,63,75)(H,64,67)(H,65,74)(H,77,78)/t42-,43-,44+,46+,47+,48+,52+,53+,54+,59?/m0/s1",JMUHBNWAORSSBD-WKYWBUFDSA-N
BMGC_DG01675,BMG_DG013112,,N1([C@@H](CCC1)B(O)O)C([C@H](CCC(=O)O)N)=O,,DMTPQYQQHYOTQM-BQBZGAKWSA-N
BMGC_DG01676,BMG_DG013124,,,,
BMGC_DG01677,BMG_DG013127,,,,
BMGC_DG01678,BMG_DG013128,CCS(=O)(=O)NC1=CC2=C(C=C1)N(C(=N2)C(C)(C)C)CC3CCC(CC3)(F)F,C1CC(CCC1Cn2c3ccc(cc3nc2C(C)(C)C)NS(CC)(=O)=O)(F)F,"InChI=1S/C20H29F2N3O2S/c1-5-28(26,27)24-15-6-7-17-16(12-15)23-18(19(2,3)4)25(17)13-14-8-10-20(21,22)11-9-14/h6-7,12,14,24H,5,8-11,13H2,1-4H3",ZAGGGZCIFUQHOH-UHFFFAOYSA-N
BMGC_DG01679,BMG_DG013130,,C(c1cc(ccc1)Cc2nc(c([nH]2)-c3cccc(n3)C)-c4cc5nccnc5cc4)(=O)N,,RYKSGWSKILPDDY-UHFFFAOYSA-N
BMGC_DG01680,BMG_DG013131,,c1(c(ccc(c1)[N+](=O)[O-])Nc2ccc(cc2)C)S(=O)(=O)NC(=O)NCCCCC,,ZXEYXJKZEQUHBP-UHFFFAOYSA-N
BMGC_DG01681,BMG_DG013132,,c1(n(c(cc1)CC[C@@](COP(O)(=O)O)(C)N)C)C(CCCc2ccc(cc2)C)=O,,SFFJDCSCTWIGSG-OAQYLSRUSA-N
BMGC_DG01682,BMG_DG013134,,C(c1cc(ccc1)C(C)(C)C#N)(=O)Nc2cc(c(cc2)C)Nc3cc4c(n(cnc4cc3)C)=O,,ZGBGPEDJXCYQPH-UHFFFAOYSA-N
BMGC_DG01683,BMG_DG013136,,[nH]1cc(nc1C(Nc2ccc(cc2C=3CCCCC3)C4CCN(CC4)C(=O)CN(C)C)=O)C#N,,GUBJNPWVIUFSTR-UHFFFAOYSA-N
BMGC_DG01684,BMG_DG013141,CCC1=NC2=C(N1C3=CC=C(C=C3)CCNC(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C=C(N=C2C)C,c1(c2nc(n(-c3ccc(CCNC(=O)NS(=O)(=O)c4ccc(cc4)C)cc3)c2cc(C)n1)CC)C,"InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)",HZVLFTCYCLXTGV-UHFFFAOYSA-N
BMGC_DG01685,BMG_DG013145,CC[C@H](C(=O)O)OC1=CC=CC(=C1)N2C(=C(C3=C2C=C(C=C3)OC(F)(F)F)C(=O)C4=CC=C(C=C4)OC)C,c1(-n2c(c(C(c3ccc(cc3)OC)=O)c4ccc(cc42)OC(F)(F)F)C)cc(ccc1)O[C@@H](C(O)=O)CC,"InChI=1S/C28H24F3NO6/c1-4-24(27(34)35)37-20-7-5-6-18(14-20)32-16(2)25(26(33)17-8-10-19(36-3)11-9-17)22-13-12-21(15-23(22)32)38-28(29,30)31/h5-15,24H,4H2,1-3H3,(H,34,35)/t24-/m1/s1",STWITCBWQHTJFJ-XMMPIXPASA-N
BMGC_DG01686,BMG_DG013169,C1CCC(CC1)N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F,c1(nc(ccn1)-c2c(ncn2C3CCCCC3)-c4ccc(cc4)F)N,"InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)",WUDBUIUHVNECTM-UHFFFAOYSA-N
BMGC_DG01687,BMG_DG013172,CCCN1CC(=C(C1=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)S(=O)(=O)C,N1(C(C(=C(C1)c2ccc(cc2)S(=O)(=O)C)c3ccc(cc3)C)=O)CCC,"InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3",AXMZZGKKZDJGAZ-UHFFFAOYSA-N
BMGC_DG01688,BMG_DG013178,CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C,C1=2[C@@]([C@]3(CC[C@]4([C@]([C@@]3(C=C1C)[H])(CC[C@]4(OC(=O)C)C(=O)C)[H])C)[H])(CCC(C2)=O)C,"InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1",RQZAXGRLVPAYTJ-GQFGMJRRSA-N
BMGC_DG01689,BMG_DG013179,C[As](C)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,OC([C@H](CCC(N[C@H](C(NCC(O)=O)=O)CS[As](C)C)=O)N)=O,"InChI=1S/C12H22AsN3O6S/c1-13(2)23-6-8(11(20)15-5-10(18)19)16-9(17)4-3-7(14)12(21)22/h7-8H,3-6,14H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1",JGDXFQORBMPJGR-YUMQZZPRSA-N
BMGC_DG01690,BMG_DG013181,,c1(c(ccc(c1)F)OC2CN(C2)c3n(c(nn3)COC)-c4cnc(cc4)OC)Cl,,HNIFCPBQMKPRCX-UHFFFAOYSA-N
BMGC_DG01691,BMG_DG013182,CN1C(=C(C=N1)Br)C2=C(C=CC(=C2)NC(=O)NC3=C(C=C(C=C3)F)F)OC,c1c(cc(c(NC(Nc2cc(c(OC)cc2)-c3c(cnn3C)Br)=O)c1)F)F,"InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26)",COSPVUFTLGQDQL-UHFFFAOYSA-N
BMGC_DG01692,BMG_DG013184,CCC(C)(C)C(=O)O,C(C(O)=O)(CC)(C)C,"InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)",VUAXHMVRKOTJKP-UHFFFAOYSA-N
BMGC_DG01693,BMG_DG013191,,OC(=O)c1cc2c(cc1)n(C3CCCCC3)c(n2)-c4c(cc(cc4)OCc5c(ccc(c5)N6C(CCC6)=O)-c7ccc(cc7)Cl)F,,NIBYCXOKANETJM-UHFFFAOYSA-N
BMGC_DG01694,BMG_DG013206,,S(=O)(=O)(N)NCc1c2c(sc1)cccc2,,AWSKBQNOSRREEY-UHFFFAOYSA-N
BMGC_DG01695,BMG_DG013210,C1=CN=C(N=C1)NCC2=CC=C(C=C2)CNC3=NC=CC=N3,C(Nc1ncccn1)c2ccc(cc2)CNc3ncccn3,"InChI=1S/C16H16N6/c1-7-17-15(18-8-1)21-11-13-3-5-14(6-4-13)12-22-16-19-9-2-10-20-16/h1-10H,11-12H2,(H,17,18,21)(H,19,20,22)",PXZXYRKDDXKDTK-UHFFFAOYSA-N
BMGC_DG01696,BMG_DG013212,,CC(c1ccc(C(=O)Nc2ccc(C(NO)=O)cc2)cc1)(C)C,,FMOQHLZNJFXULZ-UHFFFAOYSA-N
BMGC_DG01697,BMG_DG013215,CCOC(=O)C12CCC(CC1)(CC2)NCC(=O)N3C[C@H](C[C@H]3C#N)F,[C@@H]1(N(C(CNC23CCC(CC2)(C(OCC)=O)CC3)=O)C[C@H](C1)F)C#N,"InChI=1S/C18H26FN3O3/c1-2-25-16(24)17-3-6-18(7-4-17,8-5-17)21-11-15(23)22-12-13(19)9-14(22)10-20/h13-14,21H,2-9,11-12H2,1H3/t13-,14-,17?,18?/m0/s1",AKFNKZFJBFQFAA-DIOPXHOYSA-N
BMGC_DG01698,BMG_DG013217,,Fc1c(S(N2CCOc3c(N4CCNCC4)cccc32)(=O)=O)cccc1,,UPROBLPRPWYJGN-UHFFFAOYSA-N
BMGC_DG01699,BMG_DG013220,CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN(CC3)C(=O)OC,c1(C)ncc(cc1)NC(Nc2cccc(CN3CCN(CC3)C(OC)=O)c2F)=O,"InChI=1S/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27)",RFUBTTPMWSKEIW-UHFFFAOYSA-N
BMGC_DG01700,BMG_DG013229,COC1=C(C=C(C=C1)Br)NC(=O)NC2=C3C=CN(C3=CC=C2)CC4=CC(=NC=C4)N,c1c(ccnc1N)Cn2c3cccc(NC(Nc4cc(ccc4OC)Br)=O)c3cc2,"InChI=1S/C22H20BrN5O2/c1-30-20-6-5-15(23)12-18(20)27-22(29)26-17-3-2-4-19-16(17)8-10-28(19)13-14-7-9-25-21(24)11-14/h2-12H,13H2,1H3,(H2,24,25)(H2,26,27,29)",ZXBFYBLSJMEBEP-UHFFFAOYSA-N
BMGC_DG01701,BMG_DG013231,,,,
BMGC_DG01702,BMG_DG013232,CC1=C(C=CC(=N1)S(=O)(=O)C)NC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)OC(C)C)OC,N1(CCC(CC1)Oc2c(c(ncn2)Nc3c(nc(cc3)S(C)(=O)=O)C)OC)C(OC(C)C)=O,"InChI=1S/C21H29N5O6S/c1-13(2)31-21(27)26-10-8-15(9-11-26)32-20-18(30-4)19(22-12-23-20)25-16-6-7-17(24-14(16)3)33(5,28)29/h6-7,12-13,15H,8-11H2,1-5H3,(H,22,23,25)",WPDCHTSXOPUOII-UHFFFAOYSA-N
BMGC_DG01703,BMG_DG013234,,CS(=O)(=O)c1ccc(c(c1)C(=O)N2Cc3ncc(cc3C2)C(F)(F)F)O[C@H](C(F)(F)F)C,,DSFRGIKAQFSVOE-JTQLQIEISA-N
BMGC_DG01704,BMG_DG013237,,c1(c(c2c(nc1C3CCCC3)CC(C[C@@H]2O)(C)C)C4CCCCC4)[C@H](c5ccc(cc5)C(F)(F)F)F,,BHKIPHICFOJGLD-HOFKKMOUSA-N
BMGC_DG01705,BMG_DG013238,,C(c1ccccc1)(c2ccccc2)(c3ccccc3)Br,,NZHXEWZGTQSYJM-UHFFFAOYSA-N
BMGC_DG01706,BMG_DG013241,C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-],,"InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1",VPNYRYCIDCJBOM-UHFFFAOYSA-M
BMGC_DG01707,BMG_DG013259,,NCC1(Cc2ccc(Cl)cc2)CCN(c3ncnc4[nH]ccc34)CC1,,KCWPSUKJCKZEAO-UHFFFAOYSA-N
BMGC_DG01708,BMG_DG013263,C1CC(=O)NC2=C1C=CC(=N2)OCCCCN3CCN(CC3)C4=CC=CC5=CC=CC=C54,N1c2nc(OCCCCN3CCN(CC3)c4cccc5c4cccc5)ccc2CCC1=O,"InChI=1S/C26H30N4O2/c31-24-12-10-21-11-13-25(28-26(21)27-24)32-19-4-3-14-29-15-17-30(18-16-29)23-9-5-7-20-6-1-2-8-22(20)23/h1-2,5-9,11,13H,3-4,10,12,14-19H2,(H,27,28,31)",QGNOXTFZOLDODX-UHFFFAOYSA-N
BMGC_DG01709,BMG_DG013264,CC1=NC2=CC=CC(=C2C(=O)N1C3=CC=C(C=C3)OCCCN4CCCC4)C(F)(F)F,c1cc(C(F)(F)F)c2c(=O)n(-c3ccc(OCCCN4CCCC4)cc3)c(C)nc2c1,"InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3",DDDZBLNULGDPGA-UHFFFAOYSA-N
BMGC_DG01710,BMG_DG013273,,c1c(ccc(n1)N2C[C@]3(C(N(C(N3C)=O)c4cc(cc(c4)Cl)Cl)=O)[C@@H](C2)c5ccc(cc5)C#N)C(=O)O,,LILGMDXLRPEBNH-HFZDXXHNSA-N
BMGC_DG01711,BMG_DG013280,CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C,c12c(cc(c(c1)C#CC(C)(C)N3CCN(CC3)C)NC(=O)C=C)c(ncn2)Nc4cc(c(cc4)F)Cl.c1cc(ccc1S(=O)(O)=O)C.c1cc(ccc1S(=O)(O)=O)C,"InChI=1S/C27H28ClFN6O.2C7H8O3S/c1-5-25(36)33-23-16-20-24(30-17-31-26(20)32-19-6-7-22(29)21(28)15-19)14-18(23)8-9-27(2,3)35-12-10-34(4)11-13-35;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32);2*2-5H,1H3,(H,8,9,10)",GTWJVFFZCKODEV-UHFFFAOYSA-N
BMGC_DG01712,BMG_DG013285,,N1(CCNCCC1)c2cncc(c2)Cl,,LYMBELAAKZROPC-UHFFFAOYSA-N
BMGC_DG01713,BMG_DG013290,,,,
BMGC_DG01714,BMG_DG013294,,C(C=1c2c(CC1CCN(C)C)cc(cc2)F)c3nnccc3,,YVEWHDHDFNFTCD-UHFFFAOYSA-N
BMGC_DG01715,BMG_DG013300,CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)NC2=C(C=C(C=C2)F)Cl,Fc1cc(Cl)c(NS([C@@H]2CCCC=C2C(OCC)=O)(=O)=O)cc1,"InChI=1S/C15H17ClFNO4S/c1-2-22-15(19)11-5-3-4-6-14(11)23(20,21)18-13-8-7-10(17)9-12(13)16/h5,7-9,14,18H,2-4,6H2,1H3/t14-/m1/s1",LEEIJTHMHDMWLJ-CQSZACIVSA-N
BMGC_DG01716,BMG_DG013302,CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@H](C)O)C,,"InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m0/s1",WCWUXEGQKLTGDX-NSHDSACASA-N
BMGC_DG01717,BMG_DG013314,CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)S(=O)(=O)C)F,CC(OC(N1CCC(Oc2ncnc3n(-c4c(F)cc(S(=O)(=O)C)cc4)ncc32)CC1)=O)C,"InChI=1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3",XTRUQJBVQBUKSQ-UHFFFAOYSA-N
BMGC_DG01718,BMG_DG013318,,c1(cc(ccc1)CN)[C@H](CP(=O)([C@H](C(C)C)NS(=O)(=O)CCCc2ccccc2)O)C(=O)O,,WFFOOKSVFDUPDH-FCHUYYIVSA-N
BMGC_DG01719,BMG_DG013354,CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5,C1C(n2c(=O)n(-c3cccc(NC(=O)C)c3)c4c(C)c(=O)n(C)c(Nc5ccc(I)cc5F)c4c2=O)C1,"InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)",LIRYPHYGHXZJBZ-UHFFFAOYSA-N
BMGC_DG01720,BMG_DG013366,,NC(=O)c1nc(-c2ccccc2)oc1N,,UPWLRKVVLBSIPK-UHFFFAOYSA-N
BMGC_DG01721,BMG_DG013382,,,,
BMGC_DG01722,BMG_DG013389,CC(C)(CC1=CC=C(C=C1)OC)NC[C@@H](C2=C3C(=CC(=C2)O)NC(=O)CO3)O.Cl,C1(COc2c(N1)cc(cc2[C@H](CNC(Cc3ccc(cc3)OC)(C)C)O)O)=O.Cl,"InChI=1S/C21H26N2O5.ClH/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17;/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26);1H/t18-;/m0./s1",KCEHVJZZIGJAAW-FERBBOLQSA-N
BMGC_DG01723,BMG_DG013390,,,,
BMGC_DG01724,BMG_DG013395,,,,
BMGC_DG01725,BMG_DG013396,C1C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=C(C=CC=C4F)F)NC5=CC=C(C=C5)C(=O)O,c1-2c(cnc(Nc3ccc(cc3)C(O)=O)n1)CN=C(c4c(cccc4F)F)c5c2ccc(Cl)c5,"InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)",HHFBDROWDBDFBR-UHFFFAOYSA-N
BMGC_DG01726,BMG_DG013399,,n1c(c2nc(cc3N([C@H](Cn1c23)CC)CC4CC4)C)-c5c(cc(cc5)Cl)Cl,,SUCZRVASFXLXDM-HNNXBMFYSA-N
BMGC_DG01727,BMG_DG013400,,c1c(Nc2nc(NCc3cccnc3N(C)S(=O)(=O)C)c(C(F)(F)F)cn2)ccc4NC(Cc41)=O,,MZDKLVOWGIOKTN-UHFFFAOYSA-N
BMGC_DG01728,BMG_DG013407,CC(C)(C)C1=NN(C(=C1)NC(=O)NCC2=CC=CC=C2SC3=CN4C(=NN=C4C5=CC=CC=C5SCCO)C=C3)C6=CC(=C(C=C6)O)Cl,N(C(=O)NCc1c(cccc1)Sc2ccc3n(c2)c(nn3)-c4c(cccc4)SCCO)c5cc(nn5-c6cc(c(cc6)O)Cl)C(C)(C)C,"InChI=1S/C35H34ClN7O3S2/c1-35(2,3)30-19-32(43(41-30)23-12-14-27(45)26(36)18-23)38-34(46)37-20-22-8-4-6-10-28(22)48-24-13-15-31-39-40-33(42(31)21-24)25-9-5-7-11-29(25)47-17-16-44/h4-15,18-19,21,44-45H,16-17,20H2,1-3H3,(H2,37,38,46)",VGEXRDWWPSGZDH-UHFFFAOYSA-N
BMGC_DG01729,BMG_DG013420,,C1(c2c(CCN1)[nH]c(c2)-c3ccncc3)=O,,DKXHSOUZPMHNIZ-UHFFFAOYSA-N
BMGC_DG01730,BMG_DG013427,C1=CC(=CN=C1)NC2=NC=C(C(=N2)C3=CC=CO3)C4=NC=NC=C4,c1nc(ccn1)-c2c(nc(nc2)Nc3cnccc3)-c4occc4,"InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)",YRPIMMMBNUUYLG-UHFFFAOYSA-N
BMGC_DG01731,BMG_DG013428,,C(C)(C)[C@H]1[C@@](C=C(C)CC1)(c2c(O)cc(CCCCC)cc2O)[H],,PCXRACLQFPRCBB-ZWKOTPCHSA-N
BMGC_DG01732,BMG_DG013431,,C/1(\CCc2cc(ccc12)-c3c(nn(c3)CCO)-c4ccncc4)=N\O,,DEZZLWQELQORIU-RELWKKBWSA-N
BMGC_DG01733,BMG_DG013432,CN(C[C@H]1CCC2=C([C@H]1C3=CC=CC=C3)C=CC(=C2)OC)CC(=O)O,c1c(cc2CC[C@H](CN(CC(O)=O)C)[C@H](c3ccccc3)c2c1)OC,"InChI=1S/C21H25NO3/c1-22(14-20(23)24)13-17-9-8-16-12-18(25-2)10-11-19(16)21(17)15-6-4-3-5-7-15/h3-7,10-12,17,21H,8-9,13-14H2,1-2H3,(H,23,24)/t17-,21+/m1/s1",UEBBYLJZCHTLEG-UTKZUKDTSA-N
BMGC_DG01734,BMG_DG013435,C1CC1COC2=CC=C(C=C2)C3=C(C(=NC(=C3C#N)SCC(=O)N)N)C#N,N#Cc1c(SCC(N)=O)nc(N)c(C#N)c1-c2ccc(cc2)OCC3CC3,"InChI=1S/C19H17N5O2S/c20-7-14-17(12-3-5-13(6-4-12)26-9-11-1-2-11)15(8-21)19(24-18(14)23)27-10-16(22)25/h3-6,11H,1-2,9-10H2,(H2,22,25)(H2,23,24)",ZTYHZMAZUWOXNC-UHFFFAOYSA-N
BMGC_DG01735,BMG_DG013438,,c12cccc(n1c(c(n2)CN([C@H]3CCCc4cccnc34)C)CO)N5CCN(CC5)C,,QUDMHFVRKBVGBY-FQEVSTJZSA-N
BMGC_DG01736,BMG_DG013441,CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl,n1cc(c(cc1NC(C)C)-c2cc([nH]c2)C(N[C@@H](c3cc(ccc3)Cl)CO)=O)Cl,"InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1",KSERXGMCDHOLSS-LJQANCHMSA-N
BMGC_DG01737,BMG_DG013444,,CN/C(=N\S(=O)(=O)N1CCCCC1)/N2N=C([C@H](C2)c3ccccc3)c4ccc(cc4)Cl,,VXVYAAXIGIEBPP-HXUWFJFHSA-N
BMGC_DG01738,BMG_DG013456,,C[C@]12CCC(=O)C=C1[C@@H](C)C[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@@]32[H],,GZSCFURMBHMSCE-JKNDIDBPSA-N
BMGC_DG01739,BMG_DG013469,,N1(C(c2c(C1=O)ccc(c2)O)=O)c3c(cccc3C(C)C)C(C)C,,LAKWINYVWJPHQW-UHFFFAOYSA-N
BMGC_DG01740,BMG_DG013481,,O1CC(n2c3c1c(c(cc3c(c(c2)C(=O)O)=O)F)N4CCNCC4)C,,WKRSSAPQZDHYRV-UHFFFAOYSA-N
BMGC_DG01741,BMG_DG013486,,c12cccc(n1ncc2CN3CCN(CC3)c4ccc(cc4)Cl)C#N,,STIRDGXSGQTCAJ-UHFFFAOYSA-N
BMGC_DG01742,BMG_DG013490,,CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1,,IYOGKTIRIRHPOH-UHFFFAOYSA-N
BMGC_DG01743,BMG_DG013515,,O=C1[C@]2(O[C@](CC(O)=O)(C(O)=O)[C@@H](C(O)=O)C2)OC=C1CCCCCCCCC,,LQLCHKHILFZNKF-UAOJZALGSA-N
BMGC_DG01744,BMG_DG013547,,OC(=O)CC[C@@H](CCCS)C(O)=O,,FNLNSQHJKVQCBP-ZCFIWIBFSA-N
BMGC_DG01745,BMG_DG013558,,c1(c(c2c([n+]3ccccc31)cccc2Cl)O)CCCC,,QKYCZHFZIABORT-UHFFFAOYSA-O
BMGC_DG01746,BMG_DG013561,,c1ccc2oc(Oc3ccc(OCCN4CCCCC4)cc3)nc2c1,,ZIQGASWXUSSORV-UHFFFAOYSA-N
BMGC_DG01747,BMG_DG013564,C1=CNC(=O)NC1=O,[nH]1c([nH]ccc1=O)=O,"InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)",ISAKRJDGNUQOIC-UHFFFAOYSA-N
BMGC_DG01748,BMG_DG013565,,,,
BMGC_DG01749,BMG_DG013570,,,,
BMGC_DG01750,BMG_DG013579,CC1=CN=C(N=C1)CNCC2(CCN(CC2)C(=O)C3=CC(=C(C=C3)F)Cl)F,C(=O)(N1CCC(CC1)(CNCc2ncc(cn2)C)F)c3cc(c(cc3)F)Cl,"InChI=1S/C19H21ClF2N4O/c1-13-9-24-17(25-10-13)11-23-12-19(22)4-6-26(7-5-19)18(27)14-2-3-16(21)15(20)8-14/h2-3,8-10,23H,4-7,11-12H2,1H3",WAAXKNFGOFTGLP-UHFFFAOYSA-N
BMGC_DG01751,BMG_DG013588,,C(c1ccc(O)cc1)(c2ccccc2)(C)C,,QBDSZLJBMIMQRS-UHFFFAOYSA-N
BMGC_DG01752,BMG_DG013601,,C(NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O)(=O)c2ccc(cc2)N3CCNCC3,,PXSDSRKJCWOYNE-SFHVURJKSA-N
BMGC_DG01753,BMG_DG013604,,c12ccc(cc2OCO1)C[C@@H]3[C@@H](Cc4cc5c(cc4)OCO5)[C@H](OC3)O,,DIYWRNLYKJKHAM-MDOVXXIYSA-N
BMGC_DG01754,BMG_DG013632,CCC(=O)C(=O)C,CCC(C(C)=O)=O,"InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3",TZMFJUDUGYTVRY-UHFFFAOYSA-N
BMGC_DG01755,BMG_DG013635,,[N+](c1ccc(C(=N)N)cc1)(=O)[O-],,RNYJYWQMEZWWPT-UHFFFAOYSA-N
BMGC_DG01756,BMG_DG013639,,C[C@@]12[C@@H](O)CC[C@@]1([H])[C@]3([H])CCC4=CC(=O)CCC4=C3CC2,,PUQSDJZESAQGQS-OWSLCNJRSA-N
BMGC_DG01757,BMG_DG013653,CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NO,o1c(c(c2c1cccc2)CN(C)C)C(=O)NCCOc3ccc(cc3)C(NO)=O,"InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)",MAUCONCHVWBMHK-UHFFFAOYSA-N
BMGC_DG01758,BMG_DG013654,C12=C(NC(=O)N1)NC(=O)NC2=O,c12c(c(=O)[nH]c([nH]1)=O)[nH]c([nH]2)=O,"InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)",LEHOTFFKMJEONL-UHFFFAOYSA-N
BMGC_DG01759,BMG_DG013656,CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)CO,[C@]12([C@@](C(=O)CO)(CC[C@]1([C@]3([C@]([C@@]4(C(=CC(=O)CC4)CC3)C)([H])CC2)[H])[H])OC(CC)=O)C,"InChI=1S/C24H34O5/c1-4-21(28)29-24(20(27)14-25)12-9-19-17-6-5-15-13-16(26)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,25H,4-12,14H2,1-3H3/t17-,18+,19+,22+,23+,24+/m1/s1",GPNHMOZDMYNCPO-PDUMRIMRSA-N
BMGC_DG01760,BMG_DG013661,CC(C)CN1C2=C(C=C(C=C2)NC3=NC=CC=N3)C4=C1C5=C(C6=CN(N=C6CC5)C)C7=C4CNC7=O,c12c(c-3c(c4c1c5c(n4CC(C)C)ccc(c5)Nc6ncccn6)CCc7c3cn(n7)C)C(NC2)=O,"InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)",AEULIVPVIDOLIN-UHFFFAOYSA-N
BMGC_DG01761,BMG_DG013667,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)OC4=CC(=C(C=C4)Cl)Cl,C(NS(=O)(=O)c1ccc(C)cc1)(=O)N2CCC(CC2)N3CCC(Oc4cc(Cl)c(Cl)cc4)CC3,"InChI=1S/C24H29Cl2N3O4S/c1-17-2-5-21(6-3-17)34(31,32)27-24(30)29-12-8-18(9-13-29)28-14-10-19(11-15-28)33-20-4-7-22(25)23(26)16-20/h2-7,16,18-19H,8-15H2,1H3,(H,27,30)",QVLZVRFIGXNZMN-UHFFFAOYSA-N
BMGC_DG01762,BMG_DG013669,CN(CCN1CCC(CC1)OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)CN5CCC(CC5)C(=O)N,C(Nc1c(cccc1)-c2ccccc2)(=O)OC3CCN(CC3)CCN(C)C(c4ccc(cc4)CN5CCC(CC5)C(N)=O)=O,"InChI=1S/C35H43N5O4/c1-38(34(42)29-13-11-26(12-14-29)25-40-19-15-28(16-20-40)33(36)41)23-24-39-21-17-30(18-22-39)44-35(43)37-32-10-6-5-9-31(32)27-7-3-2-4-8-27/h2-14,28,30H,15-25H2,1H3,(H2,36,41)(H,37,43)",FYDWDCIFZSGNBU-UHFFFAOYSA-N
BMGC_DG01763,BMG_DG013674,,N(c1nc(NCCc2cnc[nH]2)c(Br)cn1)c3cc(NC(=O)N4CCCC4)ccc3,,DMMILYKXNCVKOJ-UHFFFAOYSA-N
BMGC_DG01764,BMG_DG013681,C1CC1NC(=O)C2=CN(C3=C(C2=O)C=CC=N3)C4=CC=CC(=C4)C5=CC(=C(C=C5)[C@@H]6C[C@H]6C(=O)O)F,[C@H]1(C[C@H]1c2c(cc(-c3cccc(-n4c5ncccc5c(c(C(NC6CC6)=O)c4)=O)c3)cc2)F)C(O)=O,"InChI=1S/C28H22FN3O4/c29-24-12-16(6-9-19(24)21-13-22(21)28(35)36)15-3-1-4-18(11-15)32-14-23(27(34)31-17-7-8-17)25(33)20-5-2-10-30-26(20)32/h1-6,9-12,14,17,21-22H,7-8,13H2,(H,31,34)(H,35,36)/t21-,22+/m0/s1",PSYPBAHXIIVDCJ-FCHUYYIVSA-N
BMGC_DG01765,BMG_DG013706,C[C@H](C1=NC2=C(C=CC=N2)C(=O)N1C3=CC=C(C=C3)O)N(CC4=CN=CC=C4)C(=O)CC5=CC=C(C=C5)OC(F)(F)F,c1(ccc(cc1)OC(F)(F)F)CC(=O)N(Cc2cnccc2)[C@H](C)c3nc4c(c(n3-c5ccc(cc5)O)=O)cccn4,"InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1",QTVDULQPUXPKEL-LJQANCHMSA-N
BMGC_DG01766,BMG_DG013778,C(=O)(N)N,C(=O)(N)N,"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)",XSQUKJJJFZCRTK-UHFFFAOYSA-N
BMGC_DG01767,BMG_DG013782,C[C@@H]1C2=NN=C(N2CCN1C(=O)C3=CC=C(C=C3)F)C4=NC(=NS4)C,C[C@H]1N(C(c2ccc(F)cc2)=O)CCn3c(-c4nc(C)ns4)nnc31,"InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1",PPSNFPASKFYPMN-SECBINFHSA-N
BMGC_DG01768,BMG_DG013783,C[C@@H](C(=O)N[C@@H]([C@@H](C1=CC=C(C=C1)OC)O)C(=O)N[C@@H](CC2=CCCC2)C(=O)[C@]3(CO3)C)NC(=O)CN4CCOCC4,C([C@H]([C@@H](c1ccc(cc1)OC)O)NC([C@H](C)NC(CN2CCOCC2)=O)=O)(=O)N[C@H](C(=O)[C@@]3(OC3)C)CC4=CCCC4,"InChI=1S/C30H42N4O8/c1-19(31-24(35)17-34-12-14-41-15-13-34)28(38)33-25(26(36)21-8-10-22(40-3)11-9-21)29(39)32-23(16-20-6-4-5-7-20)27(37)30(2)18-42-30/h6,8-11,19,23,25-26,36H,4-5,7,12-18H2,1-3H3,(H,31,35)(H,32,39)(H,33,38)/t19-,23-,25-,26+,30+/m0/s1",GHYOCDFICYLMRF-UTIIJYGPSA-N
BMGC_DG01769,BMG_DG013825,,O=C(c1cn(CCCCCF)c2c1cccc2)NC(C)(c3ccccc3)C,,ZJCYQNSYQBCKOD-UHFFFAOYSA-N
BMGC_DG01770,BMG_DG013833,C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)OC(=O)C)O,[H][C@]12[C@](C)(CC[C@H](O[C@@]3([H])C[C@H](O)[C@@H]([C@@H](C)O3)O[C@@]4([H])C[C@H](O)[C@@H]([C@@H](C)O4)O[C@@]5([H])C[C@H](OC(C)=O)[C@@H]([C@@H](C)O5)O)C1)[C@@]6([H])C[C@@H](O)[C@]7(C)[C@H](CC[C@]7(O)[C@]6([H])CC2)C=8COC(=O)C8,"InChI=1S/C43H66O15/c1-20-38(49)32(55-23(4)44)18-37(52-20)58-40-22(3)54-36(17-31(40)46)57-39-21(2)53-35(16-30(39)45)56-26-9-11-41(5)25(14-26)7-8-28-29(41)15-33(47)42(6)27(10-12-43(28,42)50)24-13-34(48)51-19-24/h13,20-22,25-33,35-40,45-47,49-50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27-,28-,29+,30+,31+,32+,33-,35+,36+,37+,38-,39-,40-,41+,42+,43+/m1/s1",HWKJSYYYURVNQU-DXJNJSHLSA-N
BMGC_DG01771,BMG_DG013847,,c12c(C(c3ccccc3C1=O)=O)cc(O)c(c2O)O,,AHKDJQYHVWSRLT-UHFFFAOYSA-N
BMGC_DG01772,BMG_DG013896,CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN4C(=O)CC(C4=O)S,,"InChI=1S/C68H107N11O15S/c1-15-42(8)58(50(92-13)36-53(81)78-35-23-27-49(78)60(93-14)43(9)61(84)71-44(10)59(83)46-24-18-16-19-25-46)76(11)66(89)56(40(4)5)75-64(87)57(41(6)7)77(12)68(91)94-38-45-29-31-47(32-30-45)72-62(85)48(26-22-33-70-67(69)90)73-63(86)55(39(2)3)74-52(80)28-20-17-21-34-79-54(82)37-51(95)65(79)88/h16,18-19,24-25,29-32,39-44,48-51,55-60,83,95H,15,17,20-23,26-28,33-38H2,1-14H3,(H,71,84)(H,72,85)(H,73,86)(H,74,80)(H,75,87)(H3,69,70,90)/t42-,43+,44+,48-,49-,50+,51?,55-,56-,57-,58-,59+,60+/m0/s1",IUXIDMFEGGOWEH-VYWCTOLSSA-N
BMGC_DG01773,BMG_DG013913,C[C@@H](CN1C(=O)N=C(N(C1=O)CC2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)OC4=CC=CC=N4)C(=O)O,C(n1c(Nc2ccc(cc2)Oc3ccccn3)nc(n(c1=O)C[C@@H](C(O)=O)C)=O)c4ccc(cc4)Cl,"InChI=1S/C25H22ClN5O5/c1-16(22(32)33)14-31-24(34)29-23(30(25(31)35)15-17-5-7-18(26)8-6-17)28-19-9-11-20(12-10-19)36-21-4-2-3-13-27-21/h2-13,16H,14-15H2,1H3,(H,32,33)(H,28,29,34)/t16-/m0/s1",SKZQFKBIJUXXCG-INIZCTEOSA-N
BMGC_DG01774,BMG_DG013917,C[C@@H](C1=CC=CC=C1)NC2=CC(=O)N(C(=O)N2)C(C)C,c1cc(ccc1)[C@@H](Nc2cc(n(c([nH]2)=O)C(C)C)=O)C,"InChI=1S/C15H19N3O2/c1-10(2)18-14(19)9-13(17-15(18)20)16-11(3)12-7-5-4-6-8-12/h4-11,16H,1-3H3,(H,17,20)/t11-/m0/s1",RLCLASQCAPXVLM-NSHDSACASA-N
BMGC_DG01775,BMG_DG013919,,O=C(O)c1cc(Cc2cccc(Cl)c2)n[nH]1,,UYMDSFKYOCEPFN-UHFFFAOYSA-N
BMGC_DG01776,BMG_DG013922,,,,
BMGC_DG01777,BMG_DG013927,C=CC(=O)N1CCC[C@H](C1)C2=C3C=CNC3=C(C=C2)C(=O)N,C(N)(=O)c1c2c(cc[nH]2)c([C@@H]3CCCN(C3)C(=O)C=C)cc1,"InChI=1S/C17H19N3O2/c1-2-15(21)20-9-3-4-11(10-20)12-5-6-14(17(18)22)16-13(12)7-8-19-16/h2,5-8,11,19H,1,3-4,9-10H2,(H2,18,22)/t11-/m1/s1",UNHZLHSLZZWMNP-LLVKDONJSA-N
BMGC_DG01778,BMG_DG013931,C1CN(CCC1(F)F)C(=O)C2=CC=C(C=C2)C3=CC(=C4C(=C3)C=C(O4)CNC(=O)/C=C/C5=CN=C(C=C5)N)C6=CC=C(C=C6)F,C(c1cc2cc(-c3ccc(C(N4CCC(F)(F)CC4)=O)cc3)cc(-c5ccc(F)cc5)c2o1)NC(=O)/C=C/c6cnc(N)cc6,"InChI=1S/C35H29F3N4O3/c36-28-9-7-24(8-10-28)30-19-26(23-3-5-25(6-4-23)34(44)42-15-13-35(37,38)14-16-42)17-27-18-29(45-33(27)30)21-41-32(43)12-2-22-1-11-31(39)40-20-22/h1-12,17-20H,13-16,21H2,(H2,39,40)(H,41,43)/b12-2+",MRFOPLWJZULAQD-SWGQDTFXSA-N
BMGC_DG01779,BMG_DG013944,,Clc1ccc(cc1Cl)C(C(=O)OC)C2CCCC2,,NEHPFNBRZYFWFN-UHFFFAOYSA-N
BMGC_DG01780,BMG_DG013945,C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O)O,,"InChI=1S/C15H14O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1,3,5-7,16-17,19-21H,2,4H2",CNABJBYLQABXJR-UHFFFAOYSA-N
BMGC_DG01781,BMG_DG013951,C[C@H](COC1=CC=CC=C1)N[C@H](C)[C@H](C2=CC=C(C=C2)O)O,N([C@@H]([C@H](c1ccc(cc1)O)O)C)[C@@H](COc2ccccc2)C,"InChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3/t13-,14-,18-/m1/s1",BMUKKTUHUDJSNZ-HBUWYVDXSA-N
BMGC_DG01782,BMG_DG013954,,c1c(c(c(cc1Oc2cc(cc(c2O)O)C)O)C(=O)OC)C,,BLXSEOJIXHWXQJ-UHFFFAOYSA-N
BMGC_DG01783,BMG_DG013967,,c12c(cccc1)ccn2C,,BLRHMMGNCXNXJL-UHFFFAOYSA-N
BMGC_DG01784,BMG_DG013975,C[C@H](C(F)(F)F)NC1=NC(=NC(=N1)C2=NC(=CC=C2)Cl)N[C@H](C)C(F)(F)F,N([C@@H](C(F)(F)F)C)c1nc(nc(N[C@@H](C(F)(F)F)C)n1)-c2nc(Cl)ccc2,"InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1",QCZAWDGAVJMPTA-RNFRBKRXSA-N
BMGC_DG01785,BMG_DG014005,CC1=C(OC=N1)C2=NN=C(N2C)SCCCN3C[C@@H]4C[C@@]4(C3)C5=C(C=C(C=C5)C(F)(F)F)F,o1cnc(c1-c2n(c(nn2)SCCCN3C[C@]4([C@@](C3)(C4)c5ccc(cc5F)C(F)(F)F)[H])C)C,"InChI=1S/C22H23F4N5OS/c1-13-18(32-12-27-13)19-28-29-20(30(19)2)33-7-3-6-31-10-15-9-21(15,11-31)16-5-4-14(8-17(16)23)22(24,25)26/h4-5,8,12,15H,3,6-7,9-11H2,1-2H3/t15-,21-/m0/s1",ZKRWPAYTJMRKLJ-BTYIYWSLSA-N
BMGC_DG01786,BMG_DG014018,CC1(CC2=C(C(O1)(C)C)SC(=C2C(=O)N)NC(=O)C3=CC=NN3)C,CC1(C)c2c(c(C(N)=O)c(NC(=O)c3cc[nH]n3)s2)CC(C)(C)O1,"InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22)",GHTGYZMBQPXTCQ-UHFFFAOYSA-N
BMGC_DG01787,BMG_DG014022,CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)C(=O)C2=CC=C(C3=CC=CC=C32)OCCN4CCOCC4,c1(ccc(c2ccccc12)OCCN3CCOCC3)C(C(=O)Nc4c(c(cc(c4)C(C)(C)C)NS(=O)(=O)C)OC)=O,"InChI=1S/C30H37N3O7S/c1-30(2,3)20-18-24(28(38-4)25(19-20)32-41(5,36)37)31-29(35)27(34)23-10-11-26(22-9-7-6-8-21(22)23)40-17-14-33-12-15-39-16-13-33/h6-11,18-19,32H,12-17H2,1-5H3,(H,31,35)",UUROSJLZNDSXRF-UHFFFAOYSA-N
BMGC_DG01788,BMG_DG014025,,O[C@]12[C@]([C@@]([C@@H](C(OC)=O)[C@H]1O)(c3ccccc3)[H])(Oc4c2c(OC)cc(O[C@H]5[C@H](OC)OC[C@]([C@@H](CO)O)(O5)[H])c4)c6ccc(OC)cc6,,GVKXFVCXBFGBCD-QKDMMWSPSA-N
BMGC_DG01789,BMG_DG014028,CC1=NC2=C(C=C1)C(=NN2CCCNC(=O)OC)[C@@H](C)N(C3CC3)C(=O)[C@H]4CNCCO4,[C@@H](N(C(=O)[C@H]1CNCCO1)C2CC2)(C)c3c4c(n(n3)CCCNC(OC)=O)nc(cc4)C,"InChI=1S/C22H32N6O4/c1-14-5-8-17-19(26-27(20(17)25-14)11-4-9-24-22(30)31-3)15(2)28(16-6-7-16)21(29)18-13-23-10-12-32-18/h5,8,15-16,18,23H,4,6-7,9-13H2,1-3H3,(H,24,30)/t15-,18-/m1/s1",GRTDDIZIUSADLD-CRAIPNDOSA-N
BMGC_DG01790,BMG_DG014062,C1C2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C1N5)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O,,"InChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)",HUHWZXWWOFSFKF-UHFFFAOYSA-N
BMGC_DG01791,BMG_DG014063,,c12c3c(ccc1c(cc(o2)-c4ccccc4)=O)cccc3,,VFMMPHCGEFXGIP-UHFFFAOYSA-N
BMGC_DG01792,BMG_DG014068,,c1(ccc2c(c1)cc(cc2)C(O)=O)C(O)=O,,WPUMVKJOWWJPRK-UHFFFAOYSA-N
BMGC_DG01793,BMG_DG014074,C=CC(=O)NC1=CC=CC(=C1)C2=CC=CC3=CN=C(N=C32)NC4=C(C(=C(C=C4)N5CCN(CC5)CCO)F)F,n1cc2c(nc1Nc3c(c(c(cc3)N4CCN(CC4)CCO)F)F)c(ccc2)-c5cccc(c5)NC(C=C)=O,"InChI=1S/C29H28F2N6O2/c1-2-25(39)33-21-7-3-5-19(17-21)22-8-4-6-20-18-32-29(35-28(20)22)34-23-9-10-24(27(31)26(23)30)37-13-11-36(12-14-37)15-16-38/h2-10,17-18,38H,1,11-16H2,(H,33,39)(H,32,34,35)",IDRGFNPZDVBSSE-UHFFFAOYSA-N
BMGC_DG01794,BMG_DG014084,CC1=C[C@@H](CN2C1=C(C3=C(N=CN=C32)N)C4=CC5=CC=CC=C5N=C4)NC(=O)C=C,c1(ncnc2c1c(-c3cnc4ccccc4c3)c5C(C)=C[C@@H](Cn25)NC(=O)C=C)N,"InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1",MKCYPWYURWOKST-INIZCTEOSA-N
BMGC_DG01795,BMG_DG014099,CS(=O)(=O)C1=C2[C@@H]([C@@H]([C@@H](C2=C(C=C1)OC3=CC(=CC(=C3)C#N)F)F)F)O,C(c1cc(cc(c1)F)Oc2c3[C@H]([C@H]([C@H](c3c(cc2)S(=O)(=O)C)O)F)F)#N,"InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1",LOMMPXLFBTZENJ-ZACQAIPSSA-N
BMGC_DG01796,BMG_DG014100,C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC(=C)[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@@]43C)F)O,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@@]3(F)[C@H](C1)O)(C=CC(C4)=O)C)[H])(CC([C@@]2(C(=O)CO)O)=C)[H])C,"InChI=1S/C22H27FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,15-17,24,26,28H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17-,19-,20-,21-,22-/m0/s1",YVHXHNGGPURVOS-SBTDHBFYSA-N
BMGC_DG01797,BMG_DG014101,C1CN(CCC12C[C@H](NC2)C(=O)O)C3=CC(=NC(=N3)N)O[C@H](C4=C(C=C(C=C4)Cl)C5=CC=CC=C5)C(F)(F)F,c1(ccc(c(c1)-c2ccccc2)[C@@H](Oc3cc(nc(n3)N)N4CCC5(CC4)C[C@H](NC5)C(O)=O)C(F)(F)F)Cl,"InChI=1S/C27H27ClF3N5O3/c28-17-6-7-18(19(12-17)16-4-2-1-3-5-16)23(27(29,30)31)39-22-13-21(34-25(32)35-22)36-10-8-26(9-11-36)14-20(24(37)38)33-15-26/h1-7,12-13,20,23,33H,8-11,14-15H2,(H,37,38)(H2,32,34,35)/t20-,23+/m0/s1",ZNSPHKJFQDEABI-NZQKXSOJSA-N
BMGC_DG01798,BMG_DG014107,,Cc1c(cccc1COc2nc(OC)c(CNCCNC(C)=O)cc2)-c3ccccc3,,JEDPSOYOYVELLZ-UHFFFAOYSA-N
BMGC_DG01799,BMG_DG014115,,C(Nc1c(cccc1C)C)([C@@H]2N(CCCC)CCCC2)=O,,LEBVLXFERQHONN-MRXNPFEDSA-N
BMGC_DG01800,BMG_DG014131,CCN1CCN(CC1)CC2=NC3=C(C=C2)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC6=C(C=C5)OCCO6)F,,"InChI=1S/C32H32FN5O4/c1-2-37-11-13-38(14-12-37)20-25-6-3-21-17-22(4-9-27(21)34-25)32(40)36-28-19-24(7-8-26(28)33)35-31(39)23-5-10-29-30(18-23)42-16-15-41-29/h3-10,17-19H,2,11-16,20H2,1H3,(H,35,39)(H,36,40)",UBALMDIKIGDHJW-UHFFFAOYSA-N
BMGC_DG01801,BMG_DG014143,C[C@](C1=CC=C(C=C1)F)(C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C4=CC(=C5)C6=CN(N=C6)C)N,c1nn2c(c(n1)N3CCN(CC3)c4ncc(cn4)[C@](c5ccc(cc5)F)(N)C)cc(c2)-c6cn(nc6)C,"InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1",DWYRIWUZIJHQKQ-SANMLTNESA-N
BMGC_DG01802,BMG_DG014149,CCN1CCN(CC1)C2=CC(=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl)NC(=O)C=C,N(c1c(Nc2ncnc(N(C)C(=O)Nc3c(Cl)c(OC)cc(OC)c3Cl)c2)ccc(N4CCN(CC)CC4)c1)C(=O)C=C,"InChI=1S/C29H34Cl2N8O4/c1-6-25(40)35-20-14-18(39-12-10-38(7-2)11-13-39)8-9-19(20)34-23-16-24(33-17-32-23)37(3)29(41)36-28-26(30)21(42-4)15-22(43-5)27(28)31/h6,8-9,14-17H,1,7,10-13H2,2-5H3,(H,35,40)(H,36,41)(H,32,33,34)",MBWRLLRCTIYXDW-UHFFFAOYSA-N
BMGC_DG01803,BMG_DG014155,CN1CCN(C(=O)C1)CC2=C(N=C3C(=C2)CCCN3C(=O)NC4=NC=C(C(=C4)NCCOC)C#N)C=O,C1(N(CCN(C1)C)Cc2c(nc3c(c2)CCCN3C(Nc4ncc(c(c4)NCCOC)C#N)=O)C=O)=O,"InChI=1S/C25H30N8O4/c1-31-7-8-32(23(35)15-31)14-18-10-17-4-3-6-33(24(17)29-21(18)16-34)25(36)30-22-11-20(27-5-9-37-2)19(12-26)13-28-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H2,27,28,30,36)",BHKDKKZMPODMIQ-UHFFFAOYSA-N
BMGC_DG01804,BMG_DG014157,CNC[C@H](C1=CC(=CC(=C1)Br)F)NC(=O)C2=C(C=C(C=C2)C3=NC(=CN=C3N)[C@H]4CC[C@@H]([C@H](C4)F)O)F,n1c(c(nc(c1)[C@@H]2C[C@@H]([C@H](CC2)O)F)-c3cc(c(cc3)C(N[C@@H](c4cc(cc(c4)Br)F)CNC)=O)F)N,"InChI=1S/C26H27BrF3N5O2/c1-32-11-21(15-6-16(27)10-17(28)7-15)35-26(37)18-4-2-14(9-19(18)29)24-25(31)33-12-22(34-24)13-3-5-23(36)20(30)8-13/h2,4,6-7,9-10,12-13,20-21,23,32,36H,3,5,8,11H2,1H3,(H2,31,33)(H,35,37)/t13-,20-,21+,23-/m0/s1",YFCIFWOJYYFDQP-PTWZRHHISA-N
BMGC_DG01805,BMG_DG014170,CC(C)(CO)N.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br,c12c(c(=O)n(C)c(n1C)=O)nc(Br)[nH]2.C(N)(CO)(C)C,"InChI=1S/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3",ATOTUUBRFJHZQG-UHFFFAOYSA-N
BMGC_DG01806,BMG_DG014174,,O=C(C(=O)C1CCCCC1)C2CCCCC2,,ZWDFMOMBVDVEHE-UHFFFAOYSA-N
BMGC_DG01807,BMG_DG014175,CN1C2=C(COC3=C2C=C(C=C3)Cl)C(=N1)C(=O)N(CC4=CC=CC=C4)CC5=CC=C(C=C5)C(=O)O,c1(cc-2c(cc1)OCc3c2n(nc3C(N(Cc4ccc(cc4)C(=O)O)Cc5ccccc5)=O)C)Cl,"InChI=1S/C27H22ClN3O4/c1-30-25-21-13-20(28)11-12-23(21)35-16-22(25)24(29-30)26(32)31(14-17-5-3-2-4-6-17)15-18-7-9-19(10-8-18)27(33)34/h2-13H,14-16H2,1H3,(H,33,34)",JYTIXGYXBIBOMN-UHFFFAOYSA-N
BMGC_DG01808,BMG_DG014189,C[C@]12CCC=C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)C(=O)CC4)[H])(CC[C@]1(C=CCC2)[H])[H])[H],"InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3,5,13-16H,4,6-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1",RJWNCDOWHNLVPF-HKQXQEGQSA-N
BMGC_DG01809,BMG_DG014190,CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br,c12c(c(=O)n(c(n1C)=O)C)[nH]c(n2)Br,"InChI=1S/C7H7BrN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)",SKTFQHRVFFOHTQ-UHFFFAOYSA-N
BMGC_DG01810,BMG_DG014192,CC1=C(C=CC(=C1)C2=C3N=C(C=C(N3N=C2)NCC4CC(C4)(C)O)OC5=CN=CC=C5)C(=O)NC6CC6,C(Nc1n2c(nc(c1)Oc3cnccc3)c(-c4ccc(c(C)c4)C(NC5CC5)=O)cn2)[C@@H]6C[C@](O)(C6)C,"InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)",PMQUGSPFUBGJCZ-UHFFFAOYSA-N;PMQUGSPFUBGJCZ-CHOKWEPUSA-N
BMGC_DG01811,BMG_DG014203,,,,
BMGC_DG01812,BMG_DG014204,,S(c1cccc(C(=O)O)c1F)c2c3ccc(Cl)c(F)c3n(-c4cnn(CC)c4)c2C5CC5,,BQMMCRXYIIKAOB-UHFFFAOYSA-N
BMGC_DG01813,BMG_DG014209,CC1=C(C=C(C=C1NC(=O)C2=C(C=C(C=C2)C3CC3)F)F)C4=C(C(=NC=N4)N)OCCN(C)C(=O)C=C,O(CCN(C(C=C)=O)C)c1c(ncnc1N)-c2c(C)c(NC(=O)c3c(F)cc(cc3)C4CC4)cc(c2)F,"InChI=1S/C27H27F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h4,7-8,11-14,16H,1,5-6,9-10H2,2-3H3,(H,33,36)(H2,30,31,32)",CUABMPOJOBCXJI-UHFFFAOYSA-N
BMGC_DG01814,BMG_DG014211,C1=CC(=C(C(=C1)O)N)C(=O)C[C@@H](C(=O)O)N,c1(c(c(ccc1)O)N)C(C[C@@H](C(O)=O)N)=O,"InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)/t6-/m0/s1",VCKPUUFAIGNJHC-LURJTMIESA-N
BMGC_DG01815,BMG_DG014213,C[C@@H](C1=CC(=CC(=C1)Cl)Cl)N2CCC(CC2)COC3=CC(=C(C=C3C4CC4)C(=O)NS(=O)(=O)C)F,c1c(cc(cc1Cl)[C@@H](N2CCC(CC2)COc3cc(c(cc3C4CC4)C(NS(C)(=O)=O)=O)F)C)Cl,"InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m0/s1",SXOAHIZWCZOILH-HNNXBMFYSA-N
BMGC_DG01816,BMG_DG014217,C[C@H]1CC[C@H](CN1C(=O)C=C)NC2=NC=NC3=C2C=CN3,N([C@@H]1CC[C@H](C)N(C(=O)C=C)C1)c2ncnc3[nH]ccc32,"InChI=1S/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/m0/s1",CBRJPFGIXUFMTM-WDEREUQCSA-N
BMGC_DG01817,BMG_DG014224,CC1=C(C=CC(=C1)F)OC2=C(C=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=O)N(C=C3)COP(=O)(O)O,,"InChI=1S/C21H17F4N2O7P/c1-12-8-14(22)3-5-17(12)34-18-9-13(21(23,24)25)2-4-16(18)20(29)26-15-6-7-27(19(28)10-15)11-33-35(30,31)32/h2-10H,11H2,1H3,(H,26,29)(H2,30,31,32)",SQDQNNKQTHOQHO-UHFFFAOYSA-N
BMGC_DG01818,BMG_DG014236,CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](S1)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC(=CC=C4)I)O)O,[C@@H]1([C@H](O)[C@H](O)[C@H](S1)C(=O)NC)n2cnc3c(nc(nc23)Cl)NCc4cc(ccc4)I,"InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1",IRIUFVPPSHYZRM-PFHKOEEOSA-N
BMGC_DG01819,BMG_DG014238,CC1=C(C=CC(=C1)C2=NC(=NC=C2)NC3=CN(N=C3)C)CNC(=O)N4CC(C4)OC(C)C,N(c1cn(C)nc1)c2nccc(-c3ccc(CNC(N4CC(OC(C)C)C4)=O)c(C)c3)n2,"InChI=1S/C23H29N7O2/c1-15(2)32-20-13-30(14-20)23(31)25-10-18-6-5-17(9-16(18)3)21-7-8-24-22(28-21)27-19-11-26-29(4)12-19/h5-9,11-12,15,20H,10,13-14H2,1-4H3,(H,25,31)(H,24,27,28)",BMWMKGNVAMXXCH-UHFFFAOYSA-N
BMGC_DG01820,BMG_DG014244,C[C@H](CCCC1=CC=CC=C1)/C=C/CCC(=O)O[C@@H]2[C@H]([C@]3(O[C@@H]([C@]([C@@]2(O3)C(=O)O)(C(=O)O)O)C(=O)O)CCC[C@H]([C@H](C)CC4=CC=CC=C4)OC(=O)C)O,C([C@@]12[C@](O)(C(=O)O)[C@@H](C(=O)O)O[C@@](CCC[C@@H](OC(=O)C)[C@H](C)Cc3ccccc3)(O1)[C@H](O)[C@H]2OC(=O)CC/C=C/[C@H](C)CCCc4ccccc4)(=O)O,"InChI=1S/C40H50O14/c1-25(15-12-20-28-16-6-4-7-17-28)14-10-11-22-31(42)52-33-32(43)38(53-34(35(44)45)39(50,36(46)47)40(33,54-38)37(48)49)23-13-21-30(51-27(3)41)26(2)24-29-18-8-5-9-19-29/h4-10,14,16-19,25-26,30,32-34,43,50H,11-13,15,20-24H2,1-3H3,(H,44,45)(H,46,47)(H,48,49)/b14-10+/t25-,26+,30+,32+,33+,34+,38-,39+,40-/m0/s1",KQMNJFMTGHRJHM-ZFSXNWTMSA-N
BMGC_DG01821,BMG_DG014255,CC1=C(C=CC(=C1Cl)OCCN2CCN(CC2)C)C3=C(SC4=NC=NC(=C34)O[C@H](CC5=CC=CC=C5OCC6=NC(=NC=C6)C7=CC=CC=C7OC)C(=O)O)C8=CC=C(C=C8)F,,"InChI=1S/C47H44ClFN6O6S/c1-29-34(16-17-38(42(29)48)59-25-24-55-22-20-54(2)21-23-55)40-41-45(51-28-52-46(41)62-43(40)30-12-14-32(49)15-13-30)61-39(47(56)57)26-31-8-4-6-10-36(31)60-27-33-18-19-50-44(53-33)35-9-5-7-11-37(35)58-3/h4-19,28,39H,20-27H2,1-3H3,(H,56,57)/t39-/m1/s1",PKYIMGFMRFVOMB-LDLOPFEMSA-N
BMGC_DG01822,BMG_DG014260,C1CN(CCN1C2COC2)C3=CC=C(C=C3)NC4=NC(=CN5C4=NC=C5)C6=CN=CC(=N6)N,n1c(c2n(cc1-c3cncc(n3)N)ccn2)Nc4ccc(cc4)N5CCN(CC5)C6COC6,"InChI=1S/C23H25N9O/c24-21-12-25-11-19(28-21)20-13-32-6-5-26-23(32)22(29-20)27-16-1-3-17(4-2-16)30-7-9-31(10-8-30)18-14-33-15-18/h1-6,11-13,18H,7-10,14-15H2,(H2,24,28)(H,27,29)",XCIGZBVOUQVIPI-UHFFFAOYSA-N
BMGC_DG01823,BMG_DG014261,CC1(C[C@@H](CC[C@@H]1O)NC2=NC(=NC=C2C#N)NCC3=CN=CN=C3OCC(C)(F)F)C,n1cncc(CNc2ncc(C#N)c(N[C@@H]3CC[C@H](O)C(C)(C)C3)n2)c1OCC(C)(F)F,"InChI=1S/C21H27F2N7O2/c1-20(2)6-15(4-5-16(20)31)29-17-13(7-24)9-26-19(30-17)27-10-14-8-25-12-28-18(14)32-11-21(3,22)23/h8-9,12,15-16,31H,4-6,10-11H2,1-3H3,(H2,26,27,29,30)/t15-,16+/m1/s1",FMKGJQHNYMWDFJ-CVEARBPZSA-N
BMGC_DG01824,BMG_DG014262,CC1=C(N=CC=C1)C2=CN3C(=NC(=N3)C4=C(C=CC(=C4)NC(=O)C5=C(N=C(O5)C)C)F)N=C2,Fc1ccc(NC(c2oc(C)nc2C)=O)cc1-c3nc4n(n3)cc(-c5ncccc5C)cn4,"InChI=1S/C23H18FN7O2/c1-12-5-4-8-25-19(12)15-10-26-23-29-21(30-31(23)11-15)17-9-16(6-7-18(17)24)28-22(32)20-13(2)27-14(3)33-20/h4-11H,1-3H3,(H,28,32)",GNVVPYCWVLCWKV-UHFFFAOYSA-N
BMGC_DG01825,BMG_DG014265,C1=CC(=CC=C1C2=NN(N=N2)C[C@H](CC(=O)O)N)OC3=C(C=C(C=N3)Cl)F,C(n1nnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1)[C@@H](N)CC(=O)O,"InChI=1S/C16H14ClFN6O3/c17-10-5-13(18)16(20-7-10)27-12-3-1-9(2-4-12)15-21-23-24(22-15)8-11(19)6-14(25)26/h1-5,7,11H,6,8,19H2,(H,25,26)/t11-/m0/s1",ZEGMEJVULDALSH-NSHDSACASA-N
BMGC_DG01826,BMG_DG014266,C[C@@H]1CN([C@H](CN1)CN2CCOC[C@H]2C)CC(=O)N3CC(C4=C3C=C(C(=N4)CO)CC5=CC=C(C=C5)F)(C)C,C1[C@@H](N(C[C@H](N1)C)CC(N2CC(c3c2cc(c(n3)CO)Cc4ccc(cc4)F)(C)C)=O)CN5CCOC[C@H]5C,"InChI=1S/C30H42FN5O3/c1-20-14-35(25(13-32-20)15-34-9-10-39-18-21(34)2)16-28(38)36-19-30(3,4)29-27(36)12-23(26(17-37)33-29)11-22-5-7-24(31)8-6-22/h5-8,12,20-21,25,32,37H,9-11,13-19H2,1-4H3/t20-,21-,25-/m1/s1",YCXOHEXZVKOGEV-DNRQZRRGSA-N
BMGC_DG01827,BMG_DG014288,CC1=C(N(N=N1)C)C2=CC3=C(C4=C(N3[C@@H](C5CCOCC5)C6=CC=CC=C6)C=C(C=C4)C(C)(C)O)N=C2,n1(c2c(c3ccc(cc13)C(O)(C)C)ncc(c2)-c4c(nnn4C)C)[C@@H](C5CCOCC5)c6ccccc6,"InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1",KGERZPVQIRYWRK-GDLZYMKVSA-N
BMGC_DG01828,BMG_DG014291,,Cn1c(=O)ccc2ccccc12,,QYEMNJMSULGQRD-UHFFFAOYSA-N
BMGC_DG01829,BMG_DG014293,,C(Cc1c([nH]c2ccccc12)C)N(C)C,,NDGCOWDSLVNLGE-UHFFFAOYSA-N
BMGC_DG01830,BMG_DG014300,CC(C)C1=CN=C(C=C1NC2=C(C=NC=C2)C(=O)NC(CO)CO)C3=C(C=CC(=C3)Cl)F,C(c1c(ccnc1)Nc2cc(ncc2C(C)C)-c3c(ccc(c3)Cl)F)(=O)NC(CO)CO,"InChI=1S/C23H24ClFN4O3/c1-13(2)17-10-27-21(16-7-14(24)3-4-19(16)25)8-22(17)29-20-5-6-26-9-18(20)23(32)28-15(11-30)12-31/h3-10,13,15,30-31H,11-12H2,1-2H3,(H,28,32)(H,26,27,29)",IPBLCOKXDQHSQW-UHFFFAOYSA-N
BMGC_DG01831,BMG_DG014311,CC1=NC=CC(=C1)C2=NC(=CO2)C(=O)NC3=CC4=C(N=C3N5CC[C@H](C5)O)N=C(O4)N6CCOCC6,N(C(=O)c1nc(oc1)-c2cc(C)ncc2)c3c(nc4c(c3)oc(n4)N5CCOCC5)N6CC[C@@H](O)C6,"InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1",SJHNWSAWWOAWJH-MRXNPFEDSA-N
BMGC_DG01832,BMG_DG014323,C[C@H]1[C@H](C2(CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(C(=NC=C4)N)Cl)CO1)N,c1cc(c(c(n1)N)Cl)Sc2c(nc(cn2)N3CCC4(CC3)[C@@H]([C@@H](OC4)C)N)N,"InChI=1S/C18H24ClN7OS/c1-10-14(20)18(9-27-10)3-6-26(7-4-18)12-8-24-17(16(22)25-12)28-11-2-5-23-15(21)13(11)19/h2,5,8,10,14H,3-4,6-7,9,20H2,1H3,(H2,21,23)(H2,22,25)/t10-,14+/m0/s1",UCJZOKGUEJUNIO-IINYFYTJSA-N
BMGC_DG01833,BMG_DG014324,C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C#N,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO)O)c3c(c(N)ncn3)c(c1)C#N,"InChI=1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1",XOKJUSAYZUAMGJ-WOUKDFQISA-N
BMGC_DG01834,BMG_DG014338,CN1C2=C(C=CC(=C2)C3=CC=C(C=C3)C[C@@H](C#N)NC(=O)[C@@H]4CNCCCO4)OC1=O,N#C[C@@H](NC([C@@H]1CNCCCO1)=O)Cc2ccc(-c3cc4c(cc3)oc(=O)n4C)cc2,"InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1",AEXFXNFMSAAELR-RXVVDRJESA-N
BMGC_DG01835,BMG_DG014346,,CC(C)[C@@H]1Cc2cc(OCCCOC)c(cc2-c3cc(=O)c(C(O)=O)cn31)OC,,KBXLMOYQNDMHQT-KRWDZBQOSA-N
BMGC_DG01836,BMG_DG014353,,C(C(C)(C)Oc1ccc(cc1)CCN(CCCCCCC)C(=O)Nc2ccc(cc2)F)(=O)O,,JZVKMPJMTAXOBC-UHFFFAOYSA-N
BMGC_DG01837,BMG_DG014361,CC(C)(C)OC1=C(C=CC(=C1)CCC(C)(C)N2CC3=C(C2)C=C(C=C3)S(=O)(=O)C)O,c1(c(cc(cc1)CCC(C)(C)N2Cc3ccc(cc3C2)S(=O)(=O)C)OC(C)(C)C)O,"InChI=1S/C24H33NO4S/c1-23(2,3)29-22-13-17(7-10-21(22)26)11-12-24(4,5)25-15-18-8-9-20(30(6,27)28)14-19(18)16-25/h7-10,13-14,26H,11-12,15-16H2,1-6H3",ISQAPFMBJFZOLG-UHFFFAOYSA-N
BMGC_DG01838,BMG_DG014365,,C[C@@]12[C@@]3([C@@](C)([C@@H](OC(C)=O)C[C@]1([C@@](COC(C)=O)(C)[C@@H](OC(C)=O)CC2)[H])Oc4c([C@@H]3O)c(=O)oc(c4)-c5cccnc5)[H],,PMMQOFWSZRQWEV-RVTXXDJVSA-N
BMGC_DG01839,BMG_DG014375,,c12c(cccc1[N+]([O-])=O)nccc2,,NDDZXHOCOKCNBM-UHFFFAOYSA-N
BMGC_DG01840,BMG_DG014376,COCC1(CCN(CC1)CC2(CCC2)C(=O)O)CN[C@@H]3C[C@H]3C4=CC=CC=C4,C(N1CCC(COC)(CN[C@@H]2C[C@H]2c3ccccc3)CC1)C4(CCC4)C(=O)O,"InChI=1S/C23H34N2O3/c1-28-17-22(15-24-20-14-19(20)18-6-3-2-4-7-18)10-12-25(13-11-22)16-23(21(26)27)8-5-9-23/h2-4,6-7,19-20,24H,5,8-17H2,1H3,(H,26,27)/t19-,20+/m0/s1",WBPWDDPSYSUQJA-VQTJNVASSA-N
BMGC_DG01841,BMG_DG014385,CC(=O)NC1=NC2=C(S1)C=CC(=C2)O,,"InChI=1S/C9H8N2O2S/c1-5(12)10-9-11-7-4-6(13)2-3-8(7)14-9/h2-4,13H,1H3,(H,10,11,12)",YOMAHEQEXVNJNF-UHFFFAOYSA-N
BMGC_DG01842,BMG_DG014387,CNC1=NC=C2C=C(C(=O)N(C2=N1)CCCN3CCN(CC3)C(=O)C=C)C4=C(C(=CC(=C4Cl)OC)OC)Cl,n1cc2c(nc1NC)n(c(c(c2)-c3c(c(cc(c3Cl)OC)OC)Cl)=O)CCCN4CCN(CC4)C(C=C)=O,"InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)",PUIXMSRTTHLNKI-UHFFFAOYSA-N
BMGC_DG01843,BMG_DG014391,COC1=C(C=CC(=C1)C=O)O,c1(c(ccc(c1)C=O)O)OC,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",MWOOGOJBHIARFG-UHFFFAOYSA-N
BMGC_DG01844,BMG_DG014392,,c1cc(c2c(c1)cccn2)[N+]([O-])=O,,OQHHSGRZCKGLCY-UHFFFAOYSA-N
BMGC_DG01845,BMG_DG014405,CCC1=NC(=CN=C1N[C@H]2CCC[C@@H]2NC(=O)C3=C(C=CC=N3)N4N=CC=N4)C(F)(F)F,c1nc(C(=O)N[C@@H]2[C@H](CCC2)Nc3c(nc(C(F)(F)F)cn3)CC)c(cc1)-n4nccn4,"InChI=1S/C20H21F3N8O/c1-2-12-18(25-11-16(28-12)20(21,22)23)29-13-5-3-6-14(13)30-19(32)17-15(7-4-8-24-17)31-26-9-10-27-31/h4,7-11,13-14H,2-3,5-6H2,1H3,(H,25,29)(H,30,32)/t13-,14-/m0/s1",UFGCLPDMIZHEED-KBPBESRZSA-N
BMGC_DG01846,BMG_DG014408,C[C@H]1C[C@H](CC(C1)(C)C)N2C3=C(C=C(C=C3)CCC(=O)O)N=C2NC4=CC=C(C=C4)OC(F)(F)F,,"InChI=1S/C26H30F3N3O3/c1-16-12-19(15-25(2,3)14-16)32-22-10-4-17(5-11-23(33)34)13-21(22)31-24(32)30-18-6-8-20(9-7-18)35-26(27,28)29/h4,6-10,13,16,19H,5,11-12,14-15H2,1-3H3,(H,30,31)(H,33,34)/t16-,19+/m0/s1",RNMAUIMMNAHKQR-QFBILLFUSA-N
BMGC_DG01847,BMG_DG014410,,CN1CCC(c2c[nH]c3ccc(N)cc23)CC1,,CKBJZDHVHHKARV-UHFFFAOYSA-N
BMGC_DG01848,BMG_DG014419,CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=NC(=CC=C5)Br)F,C(C)(=O)c1c2c(n(n1)CC(=O)N3[C@H](C(Nc4nc(Br)ccc4)=O)C[C@H](C3)F)ccc(c2)-c5cnc(nc5)C,"InChI=1S/C26H23BrFN7O3/c1-14(36)25-19-8-16(17-10-29-15(2)30-11-17)6-7-20(19)35(33-25)13-24(37)34-12-18(28)9-21(34)26(38)32-23-5-3-4-22(27)31-23/h3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,31,32,38)/t18-,21+/m1/s1",PIBARDGJJAGJAJ-NQIIRXRSSA-N
BMGC_DG01849,BMG_DG014426,,c12c(cccc1)oc(cc2C)=O,,PSGQCCSGKGJLRL-UHFFFAOYSA-N
BMGC_DG01850,BMG_DG014438,CCOC(=O)C1=C(NC(=N[C@H]1C2=C(C(=CC=C2)F)C)C3=NC=CS3)CN4CCN5[C@@H](C4)CN(C5=O)CC(C)(C)C(=O)O,C(C(CN1C(N2[C@@](CN(CC2)CC3=C([C@@H](N=C(N3)c4sccn4)c5c(c(ccc5)F)C)C(=O)OCC)(C1)[H])=O)(C)C)(=O)O,"InChI=1S/C29H35FN6O5S/c1-5-41-26(37)22-21(15-34-10-11-36-18(13-34)14-35(28(36)40)16-29(3,4)27(38)39)32-24(25-31-9-12-42-25)33-23(22)19-7-6-8-20(30)17(19)2/h6-9,12,18,23H,5,10-11,13-16H2,1-4H3,(H,32,33)(H,38,39)/t18-,23-/m0/s1",YLJBFYZGSKMBEZ-MBSDFSHPSA-N
BMGC_DG01851,BMG_DG014439,C1CC1CNC(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CC=CC(=C5)C#N,,"InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)",UXNXMBYCBRBRFD-UHFFFAOYSA-N
BMGC_DG01852,BMG_DG014443,,N1c2cc(Cl)ccc2CCc3c1cccc3,,MHUXTOYYIDFXRF-UHFFFAOYSA-N
BMGC_DG01853,BMG_DG014445,,c1c(sc(n1)Sc2nnc(s2)N)[N+](=O)[O-],,NQQBNZBOOHHVQP-UHFFFAOYSA-N
BMGC_DG01854,BMG_DG014450,C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4=CC(=C(C=C4)[C@H]5C[C@@H]5C6=CC=C(C=C6)C(=O)O)Cl,OC(c1ccc([C@H]2C[C@@H]2c3ccc(OCc4c(C5CC5)onc4-c6c(Cl)cccc6Cl)cc3Cl)cc1)=O,"InChI=1S/C29H22Cl3NO4/c30-23-2-1-3-24(31)26(23)27-22(28(37-33-27)16-6-7-16)14-36-18-10-11-19(25(32)12-18)21-13-20(21)15-4-8-17(9-5-15)29(34)35/h1-5,8-12,16,20-21H,6-7,13-14H2,(H,34,35)/t20-,21-/m1/s1",XBUXXJUEBFDQHD-NHCUHLMSSA-N
BMGC_DG01855,BMG_DG014466,,c12c(N=C(C1=O)O)ccc(c2)C,,VAJCSPZKMVQIAP-UHFFFAOYSA-N
BMGC_DG01856,BMG_DG014471,,,,
BMGC_DG01857,BMG_DG014472,,,,
BMGC_DG01858,BMG_DG014473,,,,
BMGC_DG01859,BMG_DG014474,,,,
BMGC_DG01860,BMG_DG014475,,,,
BMGC_DG01861,BMG_DG014476,,,,
BMGC_DG01862,BMG_DG014477,,,,
BMGC_DG01863,BMG_DG014478,,,,
BMGC_DG01864,BMG_DG014479,,,,
BMGC_DG01865,BMG_DG014481,,,,
BMGC_DG01866,BMG_DG014482,,,,
BMGC_DG01867,BMG_DG014483,,,,
BMGC_DG01868,BMG_DG014484,,,,
BMGC_DG01869,BMG_DG014485,,,,
BMGC_DG01870,BMG_DG014486,,,,
BMGC_DG01871,BMG_DG014487,,,,
BMGC_DG01872,BMG_DG014488,,,,
BMGC_DG01873,BMG_DG014493,,c12c([nH]cc1OC(C)=O)cccc2,,JBOPQACSHPPKEP-UHFFFAOYSA-N
BMGC_DG01874,BMG_DG014495,CC[C@H]1[C@H](NC(=O)[C@H]1F)COC2=NC=CC3=CC(=C(C=C32)OC)C(=O)N,c1(nccc2cc(c(cc12)OC)C(=O)N)OC[C@H]3NC([C@H]([C@H]3CC)F)=O,"InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1",JKDGKIBAOAFRPJ-ZBINZKHDSA-N
BMGC_DG01875,BMG_DG014497,,c1c2c([nH]n1)ccc(c2)N3C(N(C(=O)C43CCN(C([C@H](NC(c5cc(C(F)(F)F)ccc5F)=O)C(C)C)=O)CC4)C)=O,,CDSKRHGFXHZEQL-JOCHJYFZSA-N
BMGC_DG01876,BMG_DG014499,CC(C)C[C@@](C)(COC1=C(N=C(C=C1)C2=CC(=NC=C2)C(F)F)C(F)F)N,C(C(C)C)[C@](COc1ccc(-c2cc(ncc2)C(F)F)nc1C(F)F)(C)N,"InChI=1S/C19H23F4N3O/c1-11(2)9-19(3,24)10-27-15-5-4-13(26-16(15)18(22)23)12-6-7-25-14(8-12)17(20)21/h4-8,11,17-18H,9-10,24H2,1-3H3/t19-/m0/s1",RKAHOQATMSONTM-IBGZPJMESA-N
BMGC_DG01877,BMG_DG014503,,n1c(cc(cc1)CC)N,,SJWHILBZPGQBJE-UHFFFAOYSA-N
BMGC_DG01878,BMG_DG014506,C[C@@]1(CCC[C@H](C1)NC2=NC=C(C(=N2)C3=CNC4=CC=CC=C43)Cl)NC(=O)C5=NC=C(C=C5)NC(=O)/C=C/CN(C)C,c1(ccc(cn1)NC(/C=C/CN(C)C)=O)C(=O)N[C@@]2(C[C@@H](CCC2)Nc3nc(c(cn3)Cl)-c4c[nH]c5ccccc45)C,"InChI=1S/C31H35ClN8O2/c1-31(39-29(42)26-13-12-21(17-33-26)36-27(41)11-7-15-40(2)3)14-6-8-20(16-31)37-30-35-19-24(32)28(38-30)23-18-34-25-10-5-4-9-22(23)25/h4-5,7,9-13,17-20,34H,6,8,14-16H2,1-3H3,(H,36,41)(H,39,42)(H,35,37,38)/b11-7+/t20-,31+/m1/s1",SCJNYBYSTCRPAO-LXBQGUBHSA-N
BMGC_DG01879,BMG_DG014509,CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)NC3C[C@H]4CC[C@@H](C3)N4C[C@H](CN(C)S(=O)(=O)C)O,N1(C[C@H](CN(S(C)(=O)=O)C)O)[C@@H]2C[C@@H](NC(c3cc4ccccc4n(c3=O)C(C)C)=O)C[C@H]1CC2,"InChI=1S/C25H36N4O5S/c1-16(2)29-23-8-6-5-7-17(23)11-22(25(29)32)24(31)26-18-12-19-9-10-20(13-18)28(19)15-21(30)14-27(3)35(4,33)34/h5-8,11,16,18-21,30H,9-10,12-15H2,1-4H3,(H,26,31)/t18?,19-,20+,21-/m0/s1",HXLOHDZQBKCUCR-WOZUAGRISA-N;HXLOHDZQBKCUCR-VTHDOGFWSA-N
BMGC_DG01880,BMG_DG014516,,N(CC1CC1)[C@H]2[C@@H](C2)c3cc(cs3)C(NC4CCOCC4)=O,,QZNGFWQWWSECMG-HUUCEWRRSA-N
BMGC_DG01881,BMG_DG014520,C[C@H]1C[C@H]2CSC(=N[C@]2(CO1)C3=NC(=CS3)NC(=O)C4=NC=C(C=C4)OC(F)F)N,S1C[C@]2([C@@](N=C1N)(CO[C@H](C2)C)c3nc(cs3)NC(c4ccc(cn4)OC(F)F)=O)[H],"InChI=1S/C18H19F2N5O3S2/c1-9-4-10-6-30-17(21)25-18(10,8-27-9)15-24-13(7-29-15)23-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1",ZLZUHACSRMOLLV-RAALSFIWSA-N
BMGC_DG01882,BMG_DG014521,CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(CC=C(C5(C)C)C6=CC[C@@](CC6)(CF)C(=O)O)C)C)NCCN7CCS(=O)(=O)CC7,N(CCN1CCS(CC1)(=O)=O)[C@]23[C@@]([C@@]4([C@](CC2)(C)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)(C(C)(C)C(=CC6)C=7CC[C@@](CC7)(C(O)=O)CF)[H])[H])[H])([C@@H](CC3)C(C)=C)[H],"InChI=1S/C43H67FN2O4S/c1-29(2)31-12-19-43(45-22-23-46-24-26-51(49,50)27-25-46)21-20-40(6)33(36(31)43)8-9-35-39(5)15-13-32(38(3,4)34(39)14-16-41(35,40)7)30-10-17-42(28-44,18-11-30)37(47)48/h10,13,31,33-36,45H,1,8-9,11-12,14-28H2,2-7H3,(H,47,48)/t31-,33+,34-,35+,36+,39-,40+,41+,42+,43-/m0/s1",YFSNREBZTKMFEB-DHGHKPCRSA-N
BMGC_DG01883,BMG_DG014526,,c1(ncc2c(n1)n(c(c(n2)NCc3ncc(cc3)S(=O)(=O)C)=O)[C@H](C4CC4)C)-c5c(ncnc5C)C6CC6,,HVVHIBHBDCYLDI-HNNXBMFYSA-N
BMGC_DG01884,BMG_DG014532,,Nc1cncc(Cl)n1,,JTPXVCKCLBROOJ-UHFFFAOYSA-N
BMGC_DG01885,BMG_DG014542,CCCCCC1=C(C(=C(C(=O)C1=O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)NCC3=CC=CC=C3,O=C1C(O)=C([C@@H]2C=C(CC[C@H]2C(=C)C)C)C(=O)C(NCc3ccccc3)=C1CCCCC,"InChI=1S/C28H35NO3/c1-5-6-8-13-22-25(29-17-20-11-9-7-10-12-20)27(31)24(28(32)26(22)30)23-16-19(4)14-15-21(23)18(2)3/h7,9-12,16,21,23,29,31H,2,5-6,8,13-15,17H2,1,3-4H3/t21-,23+/m0/s1",CGGGAXJIRQSRPH-JTHBVZDNSA-N;NTGIXJASMBWXRO-JTHBVZDNSA-N
BMGC_DG01886,BMG_DG014545,CN(C)C[C@H](C1=CC=C(C=C1)OC)C2(CCCCC2)O,[C@H](C1(O)CCCCC1)(c2ccc(cc2)OC)CN(C)C,"InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/t16-/m1/s1",PNVNVHUZROJLTJ-MRXNPFEDSA-N
BMGC_DG01887,BMG_DG014549,C1=CC(=C(C(=C1)Br)O)Br,c1(c(cccc1Br)Br)O,"InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H",SSIZLKDLDKIHEV-UHFFFAOYSA-N
BMGC_DG01888,BMG_DG014559,CC1=CN=C(N1)C2=C3C(=C(C=C2)C4=C(C=C(C=C4)NC(=O)NC5=C(C=C(C=C5F)F)F)F)CNC3=O,O=C1c2c(CN1)c(ccc2-c3[nH]cc(n3)C)-c4c(F)cc(cc4)NC(Nc5c(cc(cc5F)F)F)=O,"InChI=1S/C25H17F4N5O2/c1-11-9-30-23(32-11)16-5-4-14(17-10-31-24(35)21(16)17)15-3-2-13(8-18(15)27)33-25(36)34-22-19(28)6-12(26)7-20(22)29/h2-9H,10H2,1H3,(H,30,32)(H,31,35)(H2,33,34,36)",MWHHJYUHCZWSLS-UHFFFAOYSA-N
BMGC_DG01889,BMG_DG014562,CN(C)C1(CCC2(CC1)C3=C(CCO2)C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5,c1c(cccc1)[C@@]2(CC[C@]3(OCCc4c5cc(F)ccc5[nH]c43)CC2)N(C)C,"InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3",CSMVOZKEWSOFER-UHFFFAOYSA-N;CSMVOZKEWSOFER-RQNOJGIXSA-N
BMGC_DG01890,BMG_DG014564,CN1C(=O)C(=C(N=C1N2CCC(CC2)N)C3=CC(=C(C=C3)C#N)F)C4=CC(=C(C=C4)OC)F,c1(F)c(ccc(-c2nc(N3CCC(CC3)N)n(c(=O)c2-c4ccc(c(c4)F)OC)C)c1)C#N,"InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3",NBAIXBAUHIQQGF-UHFFFAOYSA-N
BMGC_DG01891,BMG_DG014571,,CCCn1c2c(c(N)ncn2)nc1Br,,ATNWURROUOXVHM-UHFFFAOYSA-N
BMGC_DG01892,BMG_DG014572,C([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O,[C@H]([C@@H]([C@H](O)[C@H](CO)O)O)(CO)O,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-",FBPFZTCFMRRESA-GUCUJZIJSA-N
BMGC_DG01893,BMG_DG014573,,c1c(OC)cccc1CCNC,,MCGDBHZRFQKLBT-UHFFFAOYSA-N
BMGC_DG01894,BMG_DG014575,CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4CCOCC4)C5=CN=C(C=C5)OCCCN(C)C,c1(cc2c(cc1)ncc3c2n(c(n3C)=O)C4CCOCC4)-c5cnc(cc5)OCCCN(C)C,"InChI=1S/C26H31N5O3/c1-29(2)11-4-12-34-24-8-6-19(16-28-24)18-5-7-22-21(15-18)25-23(17-27-22)30(3)26(32)31(25)20-9-13-33-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3",AOTRIQLYUAFVSC-UHFFFAOYSA-N
BMGC_DG01895,BMG_DG014586,CC1=CC(=NN2C1=NC(=C2)C)C3=CC(=O)N4C=C(C=CC4=N3)N5CCNC6(C5)CC6,c1cc2n(cc1N3CCNC4(C3)CC4)c(cc(n2)-c5cc(c6n(n5)cc(n6)C)C)=O,"InChI=1S/C22H23N7O/c1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22/h3-4,9-12,23H,5-8,13H2,1-2H3",ASKZRYGFUPSJPN-UHFFFAOYSA-N
BMGC_DG01896,BMG_DG014587,,C#CCNC(=O)c1ccc(S(N)(=O)=O)cc1,,KRDXLVUMSYUYOP-UHFFFAOYSA-N
BMGC_DG01897,BMG_DG014592,,N(C(=O)c1c2n(nc1)cccn2)c3c(nn(CC(=O)N4CCC(N(CCC#N)C)CC4)c3)-c5c(OC(F)F)ccc(Cl)c5,,ITNFPSJJBYFVEA-UHFFFAOYSA-N
BMGC_DG01898,BMG_DG014601,,C(CNCc1c(OC)cccc1)c2c(OC)cc(c(c2)OC)C,,UTVHBNXCFSATDB-UHFFFAOYSA-N
BMGC_DG01899,BMG_DG014605,C1CNCCC1CCNCC2=NC=CC(=C2)C3=C(C=CC(=C3)C4=CC(=CC=C4)C(F)(F)F)OC5=C(C=C(C=C5)S(=O)(=O)NC6=NC=NS6)C#N,,"InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)",WSPHMGORSRQULF-UHFFFAOYSA-N
BMGC_DG01900,BMG_DG014608,,[C@@]12(CN(C[C@@]2(N(C1)C)[H])c3cnc(cc3)-c4cc5cc[nH]c5cc4)[H],,SWNSJLBQDHUEJV-BEFAXECRSA-N
BMGC_DG01901,BMG_DG014627,C1CC2=C(C(=CC(=C2)F)F)NC(=O)[C@H]1NC(=O)C3=NNC(=N3)CC4=CC=CC=C4,[nH]1c(Cc2ccccc2)nnc1C(=O)N[C@H]3CCc4cc(cc(c4NC3=O)F)F,"InChI=1S/C20H17F2N5O2/c21-13-9-12-6-7-15(19(28)25-17(12)14(22)10-13)23-20(29)18-24-16(26-27-18)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8H2,(H,23,29)(H,25,28)(H,24,26,27)/t15-/m0/s1",ATQAGKAMBISZQM-HNNXBMFYSA-N
BMGC_DG01902,BMG_DG014630,C1CC1(C2=CC=C(C=C2)CC(=O)NC3=NN(C=C3)CC4=NC=C(C=C4)C#N)C(F)(F)F,C(Cc1ccc(cc1)C2(CC2)C(F)(F)F)(=O)Nc3nn(cc3)Cc4ccc(cn4)C#N,"InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)",LSYANGLAZUZYFX-UHFFFAOYSA-N
BMGC_DG01903,BMG_DG014632,,Fc1c(CCN2CCC3(O[C@@H](C(=O)N(C3)CC)C)CC2)cc(F)cc1,,KALIKXMQWFLZKB-CQSZACIVSA-N
BMGC_DG01904,BMG_DG014634,CC[C@](C1=NN=C(O1)NCC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=C(C=C4)F)(C(F)(F)F)O,c1c(ccc(c1)F)-c2c3c(oc(=O)c2)cc(cc3)CNc4oc(nn4)[C@@](CC)(C(F)(F)F)O,"InChI=1S/C22H17F4N3O4/c1-2-21(31,22(24,25)26)19-28-29-20(33-19)27-11-12-3-8-15-16(10-18(30)32-17(15)9-12)13-4-6-14(23)7-5-13/h3-10,31H,2,11H2,1H3,(H,27,29)/t21-/m0/s1",MAOIDRRXRLYJNV-NRFANRHFSA-N
BMGC_DG01905,BMG_DG014642,CC1=CC(=C(C(=O)N1)CN2CCC3=C(C=C(C(=C3C2=O)Cl)[C@@H](C4COC4)OC)Cl)OC,C1(N(CCc2c(cc(c(c12)Cl)[C@@H](C3COC3)OC)Cl)Cc4c([nH]c(cc4OC)C)=O)=O,"InChI=1S/C22H24Cl2N2O5/c1-11-6-17(29-2)15(21(27)25-11)8-26-5-4-13-16(23)7-14(19(24)18(13)22(26)28)20(30-3)12-9-31-10-12/h6-7,12,20H,4-5,8-10H2,1-3H3,(H,25,27)/t20-/m1/s1",RXCVUHMIWHRLDF-HXUWFJFHSA-N
BMGC_DG01906,BMG_DG014650,CC(C1=C(C=CC(=C1)F)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)/C=C/C(=O)O)(F)F,c1cc2c(cc1O)sc(c2Oc3ccc(cc3)/C=C/C(O)=O)-c4ccc(cc4C(F)(F)C)F,"InChI=1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+",SJXNPGGVGZXKKI-NYYWCZLTSA-N
BMGC_DG01907,BMG_DG014652,C1=CC(=C(C2=CC(=NC=C21)N3C=CC4=C3C=NC=C4)N)F,c1(ncc2c(c1)c(c(cc2)F)N)-n3c4c(cc3)ccnc4,"InChI=1S/C16H11FN4/c17-13-2-1-11-8-20-15(7-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2",KAXAUWZJVWGFDO-UHFFFAOYSA-N
BMGC_DG01908,BMG_DG014662,C1=C(C=C(C(=C1Cl)Cl)Cl)O,c1(c(cc(O)cc1Cl)Cl)Cl,"InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H",GBNHEBQXJVDXSW-UHFFFAOYSA-N
BMGC_DG01909,BMG_DG014664,C[C@H]1COCCN1C2=NC3=C(C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)C(=N2)N5C6CCC5COC6,C1N([C@H](COC1)C)c2nc3c(ccc(-c4cc(ccc4)C(NC)=O)n3)c(N5C6COCC5CC6)n2,"InChI=1S/C26H30N6O3/c1-16-13-34-11-10-31(16)26-29-23-21(24(30-26)32-19-6-7-20(32)15-35-14-19)8-9-22(28-23)17-4-3-5-18(12-17)25(33)27-2/h3-5,8-9,12,16,19-20H,6-7,10-11,13-15H2,1-2H3,(H,27,33)/t16-,19?,20?/m0/s1",LVPBYQVQBZLDAU-DZIBYMRMSA-N
BMGC_DG01910,BMG_DG014670,C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@]1([C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)O)O)F)OC3=CC=CC=C3,C([C@H](C)N[P@@](=O)(Oc1ccccc1)OC[C@]2(O[C@H]([C@]([C@@H]2O)(C)O)n3ccc([nH]c3=O)=O)F)(=O)OC(C)C,"InChI=1S/C22H29FN3O10P/c1-13(2)34-17(28)14(3)25-37(32,36-15-8-6-5-7-9-15)33-12-22(23)18(29)21(4,31)19(35-22)26-11-10-16(27)24-20(26)30/h5-11,13-14,18-19,29,31H,12H2,1-4H3,(H,25,32)(H,24,27,30)/t14-,18-,19+,21+,22+,37-/m0/s1",NIJYGVDQZBBONK-SEUXLIJBSA-N
BMGC_DG01911,BMG_DG014672,CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=NC=NC(=C4)N)CCCCC3,n1cnc(cc1N)Nc2cc(c3n(c2=O)C4(NC3=O)CCCCC4)C,"InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)",HKTBYUWLRDZAJK-UHFFFAOYSA-N
BMGC_DG01912,BMG_DG014675,CNC(=O)C[C@H]1COC2=C(N1C(=O)C3=CC4=C(C=C3)OCC(=O)N4)C=CC(=C2)F,N(C)C(=O)C[C@@H]1N(C(c2ccc3OCC(=O)Nc3c2)=O)c4ccc(F)cc4OC1,"InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1",MBKYLPOPYYLTNW-ZDUSSCGKSA-N
BMGC_DG01913,BMG_DG014684,CC(C)OC(=O)C1=CN=C(N=C1C2=CN(C3=CC=CC=C32)C)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC,c1(OC)cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2nc(-c3c4ccccc4n(C)c3)c(C(OC(C)C)=O)cn2,"InChI=1S/C32H39N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36)",AZSRSNUQCUDCGG-UHFFFAOYSA-N
BMGC_DG01914,BMG_DG014692,,C(F)(F)(F)[C@@H]1[C@@](C[C@H](N)[C@](O1)(c2c(F)ccc(F)c2)[H])(N3Cc4c(C3)nn(S(C)(=O)=O)c4)[H],,GUBOXFWNNXSQNH-SVGFKBNWSA-N
BMGC_DG01915,BMG_DG014698,,,,
BMGC_DG01916,BMG_DG014707,CC1=CC(=CC(=N1)CC(=O)NC2=NN=C(C=C2)CC[C@H](CN3C=C(N=N3)C(=O)NC)F)OC4CC(C4)(F)F,n1(nnc(c1)C(=O)NC)C[C@@H](CCc2nnc(cc2)NC(=O)Cc3nc(cc(c3)OC4CC(F)(F)C4)C)F,"InChI=1S/C24H27F3N8O3/c1-14-7-18(38-19-10-24(26,27)11-19)8-17(29-14)9-22(36)30-21-6-5-16(31-33-21)4-3-15(25)12-35-13-20(32-34-35)23(37)28-2/h5-8,13,15,19H,3-4,9-12H2,1-2H3,(H,28,37)(H,30,33,36)/t15-/m1/s1",GEHZIZWHNLQFAS-OAHLLOKOSA-N
BMGC_DG01917,BMG_DG014708,CC1=C(C=C(S1)C(=O)C2=CN=CN=C2N[C@@H]3C[C@@H]([C@H](C3)O)COS(=O)(=O)N)[C@H]4C5=C(CCN4)C=CC(=C5)Cl,[C@@H]1(C[C@@H](C[C@@H]1COS(N)(=O)=O)Nc2c(cncn2)C(c3sc(c(c3)[C@@H]4NCCc5c4cc(cc5)Cl)C)=O)O,"InChI=1S/C25H28ClN5O5S2/c1-13-18(23-19-7-16(26)3-2-14(19)4-5-29-23)9-22(37-13)24(33)20-10-28-12-30-25(20)31-17-6-15(21(32)8-17)11-36-38(27,34)35/h2-3,7,9-10,12,15,17,21,23,29,32H,4-6,8,11H2,1H3,(H2,27,34,35)(H,28,30,31)/t15-,17-,21+,23+/m1/s1",LXRZVMYMQHNYJB-UNXOBOICSA-N
BMGC_DG01918,BMG_DG014712,CN1CCC2(CC1)CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC,n1c(ncc(c1Nc2c(cccc2)P(=O)(C)C)Cl)Nc3ccc(N4CCC5(CCN(C)CC5)CC4)cc3OC,"InChI=1S/C29H38ClN6O2P/c1-35-15-11-29(12-16-35)13-17-36(18-14-29)21-9-10-23(25(19-21)38-2)33-28-31-20-22(30)27(34-28)32-24-7-5-6-8-26(24)39(3,4)37/h5-10,19-20H,11-18H2,1-4H3,(H2,31,32,33,34)",ZPCCNHQDFZCULN-UHFFFAOYSA-N
BMGC_DG01919,BMG_DG014716,C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)CNC(=O)C(C4=CC=C(C=C4)Cl)(F)F,c1cc(ccc1Cl)C(C(NCc2ccc3c(c2)CN(C3=O)C4C(NC(CC4)=O)=O)=O)(F)F,"InChI=1S/C22H18ClF2N3O4/c23-15-4-2-14(3-5-15)22(24,25)21(32)26-10-12-1-6-16-13(9-12)11-28(20(16)31)17-7-8-18(29)27-19(17)30/h1-6,9,17H,7-8,10-11H2,(H,26,32)(H,27,29,30)",PWBHUSLMHZLGRN-UHFFFAOYSA-N
BMGC_DG01920,BMG_DG014733,,Cc1cc(N)nc(C)c1CNC(=O)c2ccnc(Cc3ccc4c(c3)cc(cn4)Cl)c2,,BDLURRLRBKLEDL-UHFFFAOYSA-N
BMGC_DG01921,BMG_DG014759,C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C,O(C)c1n2c(nn1)ccc(n2)N3CCC(CC3)c4ccc(cc4)OCCN5[C@H](C)C(=O)N(CC5)C,"InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1",RSMYFSPOTCDHHJ-GOSISDBHSA-N
BMGC_DG01922,BMG_DG014763,C[C@]12CC[C@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O,,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,27-,28+,29+,30-/m0/s1",MIJYXULNPSFWEK-KDQGZELNSA-N
BMGC_DG01923,BMG_DG014783,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],[C-]#N.[Co+3].[C@@]12([C@]([C@@H](C(=N1)/C(/C)=C3/[C@]([C@@H](C(=N3)/C=C/4N=C([C@H](C4(C)C)CCC(=O)N)/C(=C\5/[C@@]([C@H](C2[N-]5)CC(=O)N)(CCC(NC[C@H](OP(O[C@H]6[C@H]([C@@H](n7cnc8c7cc(c(c8)C)C)O[C@@H]6CO)O)([O-])=O)C)=O)C)/C)CCC(=O)N)(CC(=O)N)C)CCC(=O)N)(CC(=O)N)C)C,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1",FDJOLVPMNUYSCM-UVKKECPRSA-L
BMGC_DG01924,BMG_DG015080,C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O,,"InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7?,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1",APKFDSVGJQXUKY-VTPNKFOWSA-N
BMGC_DG01925,BMG_DG015085,,C(n1ccc(CCCCC(=O)NO)n1)c2ccc(cc2)C(C)(C)C,,DHPTXCYGINYMBY-UHFFFAOYSA-N
BMGC_DG01926,BMG_DG015086,,c1(ccc(cc1)Cn2ccc(n2)CCCCC(NO)=O)C(F)(F)F,,DRPWGIFMCQXPNS-UHFFFAOYSA-N
BMGC_DG01927,BMG_DG015102,,C[C@]12[C@@]3([C@@](O3)(C(=O)C=C1C(=C)C[C@@]4([C@@]2(CC[C@@]5(C)[C@]4(CCC5=O)[H])[H])[H])[H])[H],,ACZFVFMOZUAEEW-XXWSGHEVSA-N
BMGC_DG01928,BMG_DG015107,,c1(c(c(c(O)cc1)O)O)C(O)=O,,BRRSNXCXLSVPFC-UHFFFAOYSA-N
BMGC_DG01929,BMG_DG015109,,C=1(c2c(N(C)C(CN1)=O)ccc(c2)I)c3c(F)cccc3,,WKDHPXLDPOYJMH-UHFFFAOYSA-N
BMGC_DG01930,BMG_DG015143,C[C@@]12[C@@](CCN1CC3=CC=C(C=C3)/C=C/C(=O)NO)(C4=CC=CC=C4N2)O,,"InChI=1S/C21H23N3O3/c1-20-21(26,17-4-2-3-5-18(17)22-20)12-13-24(20)14-16-8-6-15(7-9-16)10-11-19(25)23-27/h2-11,22,26-27H,12-14H2,1H3,(H,23,25)/b11-10+/t20-,21+/m0/s1",XSPCNQCXKLBQPJ-HRZVIGLNSA-N
BMGC_DG01931,BMG_DG015144,C[C@@]12[C@@](CCN1CC3=CC=C(C=C3)/C=C/C(=O)N)(C4=CC=CC=C4N2)O,,"InChI=1S/C21H23N3O2/c1-20-21(26,17-4-2-3-5-18(17)23-20)12-13-24(20)14-16-8-6-15(7-9-16)10-11-19(22)25/h2-11,23,26H,12-14H2,1H3,(H2,22,25)/b11-10+/t20-,21+/m0/s1",GSUOTZHCHGUHCC-HRZVIGLNSA-N
BMGC_DG01932,BMG_DG015160,CC1=C2C(=NC=NN2C=C1OC[C@@H](C)O)OC3=C(C4=C(C=C3)NC(=C4)C(=O)O)F,n1cnc(Oc2ccc3c(c2F)cc([nH]3)C(O)=O)c4n1cc(c4C)OC[C@H](O)C,"InChI=1S/C19H17FN4O5/c1-9(25)7-28-15-6-24-17(10(15)2)18(21-8-22-24)29-14-4-3-12-11(16(14)20)5-13(23-12)19(26)27/h3-6,8-9,23,25H,7H2,1-2H3,(H,26,27)/t9-/m1/s1",JEFQSGODDXULMW-SECBINFHSA-N
BMGC_DG01933,BMG_DG015234,CC1=C(C2=C(N1)C=C(C=C2)O)CCNCC3=CC=C(C=C3)/C=C/C(=O)N,,"InChI=1S/C21H23N3O2/c1-14-18(19-8-7-17(25)12-20(19)24-14)10-11-23-13-16-4-2-15(3-5-16)6-9-21(22)26/h2-9,12,23-25H,10-11,13H2,1H3,(H2,22,26)/b9-6+",UBAQJMHJQGDBBO-RMKNXTFCSA-N
BMGC_DG01934,BMG_DG015481,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)COC(=O)C(C)(C)C)CCC4=CC(=O)CC[C@]34C,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC1)[H])(CCC(=O)C4)C)[H])(CC[C@@H]2C(COC(C(C)(C)C)=O)=O)[H])C,"InChI=1S/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19-,20-,21+,25-,26-/m0/s1",VVOIQBFMTVCINR-WWMZEODYSA-N
BMGC_DG01935,BMG_DG015502,,n1cn(CCC)cc1,,IYVYLVCVXXCYRI-UHFFFAOYSA-N
BMGC_DG01936,BMG_DG015620,C1=NC2=C(N1)C(=O)NC(=O)N2,c12c([nH]c([nH]c1=O)=O)nc[nH]2,"InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)",LRFVTYWOQMYALW-UHFFFAOYSA-N
BMGC_DG01937,BMG_DG015640,,c12c(cc3ccccc3c1)cccc2N,,YUENFNPLGJCNRB-UHFFFAOYSA-N
BMGC_DG01938,BMG_DG015653,CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)C(C)C)CC(=O)N)CO)CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC(C)C)CC(=O)N)CCC(=O)N)CO)CCC(=O)O)[C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N)C(=O)N1)CCCCN)CC(=O)N)CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCCN)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC7=CNC=N7)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N9CCC[C@H]9C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)CCC(=O)N)CC(=O)N)CCCCN)CCC(=O)O)CC(=O)O)CO)CC(C)C,,"InChI=1S/C287H440N80O111S6/c1-24-132(17)225-280(470)345-162(87-126(5)6)236(426)306-111-209(396)320-181(116-370)267(457)344-176(101-220(416)417)238(428)307-105-203(390)316-152(61-74-213(402)403)243(433)321-146(40-29-32-80-288)241(431)339-171(96-198(298)385)259(449)326-153(56-69-194(294)381)250(440)351-186(121-482-479-118-183-240(430)310-107-202(389)313-148(54-67-192(292)379)233(423)303-108-206(393)317-170(95-197(297)384)258(448)322-147(41-30-33-81-289)242(432)350-187(272(462)359-225)122-483-480-119-184(269(459)323-150(60-73-212(400)401)235(425)304-110-208(395)319-180(115-369)266(456)342-174(99-201(301)388)265(455)357-223(130(13)14)278(468)355-183)352-254(444)165(90-129(11)12)335-270(460)185-120-481-484-123-188(354-263(453)178(103-222(420)421)347-283(473)230(137(22)375)362-264(454)168(93-141-48-52-144(378)53-49-141)346-282(472)228(135(20)373)361-232(422)145(291)86-125(3)4)273(463)363-229(136(21)374)281(471)330-158(65-78-217(410)411)249(439)348-179(114-368)239(429)309-106-204(391)315-151(55-68-193(293)380)244(434)340-172(97-199(299)386)260(450)334-164(89-128(9)10)253(443)353-185)271(461)358-224(131(15)16)279(469)364-227(134(19)372)277(467)311-112-205(392)314-149(59-72-211(398)399)234(424)305-113-210(397)356-231(138(23)376)286(476)367-85-37-45-191(367)276(466)331-160(42-31-34-82-290)284(474)365-83-35-43-189(365)274(464)328-154(57-70-195(295)382)248(438)349-182(117-371)268(458)338-169(94-142-104-302-124-312-142)257(447)341-173(98-200(300)387)261(451)343-175(100-219(414)415)237(427)308-109-207(394)318-177(102-221(418)419)262(452)337-166(91-139-38-27-26-28-39-139)255(445)327-155(62-75-214(404)405)245(435)325-159(66-79-218(412)413)251(441)360-226(133(18)25-2)285(475)366-84-36-44-190(366)275(465)329-157(64-77-216(408)409)246(436)324-156(63-76-215(406)407)247(437)336-167(92-140-46-50-143(377)51-47-140)256(446)333-163(88-127(7)8)252(442)332-161(287(477)478)58-71-196(296)383/h26-28,38-39,46-53,104,124-138,145-191,223-231,368-378H,24-25,29-37,40-45,54-103,105-123,288-291H2,1-23H3,(H2,292,379)(H2,293,380)(H2,294,381)(H2,295,382)(H2,296,383)(H2,297,384)(H2,298,385)(H2,299,386)(H2,300,387)(H2,301,388)(H,302,312)(H,303,423)(H,304,425)(H,305,424)(H,306,426)(H,307,428)(H,308,427)(H,309,429)(H,310,430)(H,311,467)(H,313,389)(H,314,392)(H,315,391)(H,316,390)(H,317,393)(H,318,394)(H,319,395)(H,320,396)(H,321,433)(H,322,448)(H,323,459)(H,324,436)(H,325,435)(H,326,449)(H,327,445)(H,328,464)(H,329,465)(H,330,471)(H,331,466)(H,332,442)(H,333,446)(H,334,450)(H,335,460)(H,336,437)(H,337,452)(H,338,458)(H,339,431)(H,340,434)(H,341,447)(H,342,456)(H,343,451)(H,344,457)(H,345,470)(H,346,472)(H,347,473)(H,348,439)(H,349,438)(H,350,432)(H,351,440)(H,352,444)(H,353,443)(H,354,453)(H,355,468)(H,356,397)(H,357,455)(H,358,461)(H,359,462)(H,360,441)(H,361,422)(H,362,454)(H,363,463)(H,364,469)(H,398,399)(H,400,401)(H,402,403)(H,404,405)(H,406,407)(H,408,409)(H,410,411)(H,412,413)(H,414,415)(H,416,417)(H,418,419)(H,420,421)(H,477,478)/t132-,133-,134+,135+,136+,137+,138+,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,223-,224-,225-,226-,227-,228-,229-,230-,231-/m0/s1",FIBJDTSHOUXTKV-BRHMIFOHSA-N
BMGC_DG01939,BMG_DG015656,,c1c(nc(c(c1)-c2c(nc3n2ccc(c3)C)-c4cccnc4OC)C#Cc5cc6c(cc5)c(ncc6)C)NC([C@@H](NC)C)=O,,XPQTUUJPXMXNET-QHCPKHFHSA-N
BMGC_DG01940,BMG_DG015662,C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC3=CN=CS3,[O-][S+](Cc1cncs1)C(c2ccccc2)c3ccccc3,"InChI=1S/C17H15NOS2/c19-21(12-16-11-18-13-20-16)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,13,17H,12H2",VBBBWHDWYLUSEL-UHFFFAOYSA-N
BMGC_DG01941,BMG_DG015663,CC1(CCN(CC1)C2=C(N=CC=C2)NC(=O)C3=NC(=CN=C3N)C4=C(C=CC=N4)C(F)(F)F)N,c1ccnc(NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)c1N4CCC(C)(N)CC4,"InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34)",XXJXHXJWQSCNPX-UHFFFAOYSA-N
BMGC_DG01942,BMG_DG015665,,c1c(c(ccc1)CC[C@H]2Cc3c(CC2)cc(cc3)[C@H]4CC[C@](C4)(N)COP(=O)(O)O)OC,,CDZQINDPHHFTHS-FMNCTDSISA-N
BMGC_DG01943,BMG_DG015666,COC1=CC=CC=C1CC[C@@H]2CCC3=C(C2)C=CC(=C3)[C@H]4CC[C@@](C4)(CO)N,c1c(c(ccc1)CC[C@H]2Cc3c(CC2)cc(cc3)[C@H]4CC[C@](C4)(N)CO)OC,"InChI=1S/C25H33NO2/c1-28-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-27/h2-5,10-11,15,18,23,27H,6-9,12-14,16-17,26H2,1H3/t18-,23+,25-/m1/s1",QCMHGCDOZLWPOT-FMNCTDSISA-N
BMGC_DG01944,BMG_DG015667,CN1C=C(C=N1)NC2=NC=CC(=N2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)F,c1c(nc(nc1)Nc2cnn(c2)C)N3C[C@@H]4N([C@H](C3)CC4)C([C@H]5C(C5)(F)F)=O,"InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1",BUWBRTXGQRBBHG-MJBXVCDLSA-N
BMGC_DG01945,BMG_DG015675,CN1C(=O)C2CN(C1=O)CC3=C2C4=CC=CC=C4N3CC5=CC=C(C=C5)C(=O)NO,,"InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)",ZCAIUGLOTHAUQX-UHFFFAOYSA-N
BMGC_DG01946,BMG_DG015681,CC1(CN(CCN1)C2=CC=C(C=C2)C(=O)NC3=NNC4=C3C=CC(=N4)C5=C(C(=CC(=C5Cl)OC)OC)Cl)C,c1(-c2nc3[nH]nc(NC(c4ccc(N5CCNC(C5)(C)C)cc4)=O)c3cc2)c(c(cc(c1Cl)OC)OC)Cl,"InChI=1S/C27H28Cl2N6O3/c1-27(2)14-35(12-11-30-27)16-7-5-15(6-8-16)26(36)32-25-17-9-10-18(31-24(17)33-34-25)21-22(28)19(37-3)13-20(38-4)23(21)29/h5-10,13,30H,11-12,14H2,1-4H3,(H2,31,32,33,34,36)",QNXOYMFBIACDSL-UHFFFAOYSA-N
BMGC_DG01947,BMG_DG015690,,c1cc([C@@H](N2CCN(c3nnc(NC(=O)C)s3)CC2)C)cc4c1OCO4,,PLUUAFJXXNCXSD-NSHDSACASA-N
BMGC_DG01948,BMG_DG015698,C[C@H]1C/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCC5=C4C=CC(=C5)Cl)COC6=C3C=C(C=C6)C(=O)NS(=O)(=O)[C@@H]1C)OC,c1c(ccc2c1CCC[C@@]23CN4c5c(OC3)ccc(c5)C(NS([C@@H]([C@H](C/C=C/[C@@H]([C@H]6[C@H](C4)CC6)OC)C)C)(=O)=O)=O)Cl,"InChI=1S/C33H41ClN2O5S/c1-21-6-4-8-30(40-3)27-12-9-25(27)18-36-19-33(15-5-7-23-16-26(34)11-13-28(23)33)20-41-31-14-10-24(17-29(31)36)32(37)35-42(38,39)22(21)2/h4,8,10-11,13-14,16-17,21-22,25,27,30H,5-7,9,12,15,18-20H2,1-3H3,(H,35,37)/b8-4+/t21-,22+,25-,27+,30-,33-/m0/s1",JQNINBDKGLWYMU-GEAQBIRJSA-N
BMGC_DG01949,BMG_DG015720,CCOCC1=CN=C(N=C1OC2=NC3=C(C=C2)C4=C(C=C3)SC5=C4NC[C@H](NC5=O)C)Cl,c1(ncc(COCC)c(n1)Oc2nc3ccc4sc5C(=O)N[C@@H](CNc5c4c3cc2)C)Cl,"InChI=1S/C22H20ClN5O3S/c1-3-30-10-12-9-25-22(23)28-21(12)31-16-7-4-13-14(27-16)5-6-15-17(13)18-19(32-15)20(29)26-11(2)8-24-18/h4-7,9,11,24H,3,8,10H2,1-2H3,(H,26,29)/t11-/m1/s1",PYOQIOLRFIRRSO-LLVKDONJSA-N
BMGC_DG01950,BMG_DG015731,C[C@@H](C1=CC2=C(C=CC(=C2)Cl)NC1=O)NC3=CC=C(N(C3=O)C)C#N,c1cc(cc2c1[nH]c(c(c2)[C@@H](Nc3c(n(c(cc3)C#N)C)=O)C)=O)Cl,"InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1",NEQYWYXGTJDAKR-JTQLQIEISA-N
BMGC_DG01951,BMG_DG015741,CN(C1=C(C=CC(=C1)NC2=NC=C(C(=N2)NCCCNC(=O)C3=CC=C(C=C3)C#N)Cl)F)C(=O)C=C,,"InChI=1S/C25H23ClFN7O2/c1-3-22(35)34(2)21-13-18(9-10-20(21)27)32-25-31-15-19(26)23(33-25)29-11-4-12-30-24(36)17-7-5-16(14-28)6-8-17/h3,5-10,13,15H,1,4,11-12H2,2H3,(H,30,36)(H2,29,31,32,33)",ZHLODYGHLUYMDJ-UHFFFAOYSA-N
BMGC_DG01952,BMG_DG015748,C1[C@@H]2CN(C[C@@H]2CC1OC3=CC=CC=C3F)C[C@@H](C4=NC=C(C=C4)O)O,c1c(ccc(n1)[C@H](CN2C[C@]3([C@@](C2)(C[C@@H](C3)Oc4c(cccc4)F)[H])[H])O)O,"InChI=1S/C20H23FN2O3/c21-17-3-1-2-4-20(17)26-16-7-13-10-23(11-14(13)8-16)12-19(25)18-6-5-15(24)9-22-18/h1-6,9,13-14,16,19,24-25H,7-8,10-12H2/t13-,14+,16?,19-/m0/s1",NEFQLCKWVRZEJA-ZWVKXQFTSA-N;NEFQLCKWVRZEJA-ZDXGLAPJSA-N
BMGC_DG01953,BMG_DG015749,C[C@@H](C1=CC2=NC=C(N2N=C1C3=CC=CC=C3)Cl)NC4=NC=NC(=C4C#N)N,c1nc(c(c(n1)N)C#N)N[C@@H](C)c2cc3n(c(cn3)Cl)nc2-c4ccccc4,"InChI=1S/C19H15ClN8/c1-11(26-19-14(8-21)18(22)24-10-25-19)13-7-16-23-9-15(20)28(16)27-17(13)12-5-3-2-4-6-12/h2-7,9-11H,1H3,(H3,22,24,25,26)/t11-/m0/s1",WKDBRCUUDXLTIM-NSHDSACASA-N
BMGC_DG01954,BMG_DG015755,C(C(=O)O)C(CC(=O)O)(C(=O)O)O.N.[Fe+3],[Fe+3].N.OC(CC(CC(O)=O)(O)C(=O)O)=O,"InChI=1S/C6H8O7.Fe.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+3;",FRHBOQMZUOWXQL-UHFFFAOYSA-N
BMGC_DG01955,BMG_DG015770,CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CNC=N2)CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)[C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN,,"InChI=1S/C257H383N65O77S6/c1-29-131(23)205(313-193(339)104-259)252(393)317-204(130(21)22)248(389)288-159(75-82-200(349)350)217(358)282-156(71-78-189(263)335)221(362)308-183-116-403-404-117-184-243(384)305-178(111-324)240(381)294-162(88-123(7)8)225(366)295-168(95-140-53-61-146(329)62-54-140)228(369)283-154(69-76-187(261)333)218(359)290-161(87-122(5)6)223(364)285-158(74-81-199(347)348)220(361)302-174(101-190(264)336)235(376)298-170(97-142-57-65-148(331)66-58-142)231(372)309-182(242(383)304-176(255(396)397)103-192(266)338)115-402-401-114-181(214(355)273-107-194(340)278-153(72-79-197(343)344)216(357)281-151(51-42-84-271-257(267)268)212(353)272-108-195(341)279-166(93-138-46-36-32-37-47-138)227(368)297-167(94-139-48-38-33-39-49-139)230(371)299-171(98-143-59-67-149(332)68-60-143)238(379)320-208(135(27)327)254(395)322-85-43-52-186(322)246(387)286-152(50-40-41-83-258)222(363)321-209(136(28)328)256(398)399)311-250(391)203(129(19)20)316-236(377)164(90-125(11)12)292-229(370)169(96-141-55-63-147(330)64-56-141)296-224(365)160(86-121(3)4)289-210(351)133(25)277-215(356)157(73-80-198(345)346)287-247(388)202(128(17)18)315-237(378)165(91-126(13)14)293-233(374)173(100-145-106-270-120-276-145)301-239(380)177(110-323)280-196(342)109-274-213(354)180(113-400-405-118-185(310-244(183)385)245(386)319-207(134(26)326)253(394)306-179(112-325)241(382)318-206(132(24)30-2)251(392)312-184)307-226(367)163(89-124(9)10)291-232(373)172(99-144-105-269-119-275-144)300-219(360)155(70-77-188(262)334)284-234(375)175(102-191(265)337)303-249(390)201(127(15)16)314-211(352)150(260)92-137-44-34-31-35-45-137/h31-39,44-49,53-68,105-106,119-136,150-186,201-209,323-332H,29-30,40-43,50-52,69-104,107-118,258-260H2,1-28H3,(H2,261,333)(H2,262,334)(H2,263,335)(H2,264,336)(H2,265,337)(H2,266,338)(H,269,275)(H,270,276)(H,272,353)(H,273,355)(H,274,354)(H,277,356)(H,278,340)(H,279,341)(H,280,342)(H,281,357)(H,282,358)(H,283,369)(H,284,375)(H,285,364)(H,286,387)(H,287,388)(H,288,389)(H,289,351)(H,290,359)(H,291,373)(H,292,370)(H,293,374)(H,294,381)(H,295,366)(H,296,365)(H,297,368)(H,298,376)(H,299,371)(H,300,360)(H,301,380)(H,302,361)(H,303,390)(H,304,383)(H,305,384)(H,306,394)(H,307,367)(H,308,362)(H,309,372)(H,310,385)(H,311,391)(H,312,392)(H,313,339)(H,314,352)(H,315,378)(H,316,377)(H,317,393)(H,318,382)(H,319,386)(H,320,379)(H,321,363)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,396,397)(H,398,399)(H4,267,268,271)/t131-,132-,133-,134+,135+,136+,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,201-,202-,203-,204-,205-,206-,207-,208-,209-/m0/s1",PBGKTOXHQIOBKM-FHFVDXKLSA-N
BMGC_DG01956,BMG_DG015795,CC[C@@H]1[C@H]([N@+]2([C@H]3CC1[C@@H]4[C@@H]2C[C@@]5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)CC(CN(CC)CC)O)O,CC[C@H]1[C@@]2(C[C@@]3([N@@+]([C@]4(C[C@]5([C@@H]([C@]24[H])O)[C@@]3([H])N(C)c6c5cccc6)[H])([C@@H]1O)CC(O)CN(CC)CC)[H])[H],"InChI=1S/C27H42N3O3/c1-5-17-18-12-21-24-27(19-10-8-9-11-20(19)28(24)4)13-22(23(18)25(27)32)30(21,26(17)33)15-16(31)14-29(6-2)7-3/h8-11,16-18,21-26,31-33H,5-7,12-15H2,1-4H3/q+1/t16?,17-,18?,21-,22-,23+,24-,25+,26+,27+,30-/m0/s1",IXLGLCQSNUMEGQ-CDRHRIJLSA-N;IXLGLCQSNUMEGQ-HFCGKFOFSA-N
BMGC_DG01957,BMG_DG015797,C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[N+](C)(C)CCCCCCCCCC[N+](C)(C)CC(=O)O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)C(C)C.[Cl-].[Cl-],C([N+](CC(=O)O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)(C)C)CCCCCCCCC[N+](CC(=O)O[C@H]2[C@@H](CC[C@H](C2)C)C(C)C)(C)C.[Cl-].[Cl-],"InChI=1S/C38H74N2O4.2ClH/c1-29(2)33-21-19-31(5)25-35(33)43-37(41)27-39(7,8)23-17-15-13-11-12-14-16-18-24-40(9,10)28-38(42)44-36-26-32(6)20-22-34(36)30(3)4;;/h29-36H,11-28H2,1-10H3;2*1H/q+2;;/p-2/t31-,32-,33+,34+,35-,36-;;/m1../s1",LRQIWRXCHWNNEA-MWZFJMJKSA-L
BMGC_DG01958,BMG_DG015803,,[Al+3].[Na+].[O-]C(=O)[O-].[OH-].O.[OH-],,YJTPLMXDQANDKS-UHFFFAOYSA-J
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BMGC_DG01964,BMG_DG015855,,c1(c(ccc(c1)CS)Cl)Cl,,CEGBRSQPRQXALB-UHFFFAOYSA-N
BMGC_DG01965,BMG_DG015858,,,,
BMGC_DG01966,BMG_DG015910,C(CC(=O)O)CN,C(=O)(O)CCCN,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)",BTCSSZJGUNDROE-UHFFFAOYSA-N
BMGC_DG01967,BMG_DG016157,,[C@H](N1[C@@H](C)CN(CC=C)[C@H](C)C1)(c2cc(O)ccc2)c3ccc(C(N(CC)CC)=O)cc3,,LBLDMHBSVIVJPM-YZIHRLCOSA-N
BMGC_DG01968,BMG_DG016162,CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C,[C@H](C(N[C@H](C(=O)NC)C(C)(C)C)=O)([C@@H](C(=O)NO)O)CC(C)C,"InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1",OCSMOTCMPXTDND-OUAUKWLOSA-N
BMGC_DG01969,BMG_DG016164,CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-],c1cc(C(Oc2cccc(CO[N+]([O-])=O)c2)=O)c(cc1)OC(=O)C,"InChI=1S/C16H13NO7/c1-11(18)23-15-8-3-2-7-14(15)16(19)24-13-6-4-5-12(9-13)10-22-17(20)21/h2-9H,10H2,1H3",IOJUJUOXKXMJNF-UHFFFAOYSA-N
BMGC_DG01970,BMG_DG016165,C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,O1[C@@H](O[C@H](c2ccccc2)C#N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",ZKSZEJFBGODIJW-GMDXDWKASA-N
BMGC_DG01971,BMG_DG016166,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O,[C@H]1(O)[C@H](O)[C@@](C)(CO)[C@]2([C@@](C1)(C)[C@@]3([C@](CC2)(C)[C@@]4(C)C(=CC3)[C@]5([C@@](CC[C@H]([C@@H]5C)C)(C(O)=O)CC4)[H])[H])[H],"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1",JXSVIVRDWWRQRT-UYDOISQJSA-N
BMGC_DG01972,BMG_DG016174,,C[C@]12CC[C@@H](O)C[C@@]1([H])[C@@H](O)C[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]4(C)CC[C@@]32[H],,HMXPOCDLAFAFNT-BHYUGXBJSA-N
BMGC_DG01973,BMG_DG016178,,C1CCc2c(c(c3c(ccc(c3)OC)n2)N)C1,,APQPVVOYBLOJDY-UHFFFAOYSA-N
BMGC_DG01974,BMG_DG016179,[C@@H]1([C@@H]([C@H]([C@H]2[C@@H]([C@@H]1O)O2)O)O)O,[C@@H]1([C@@H]2O[C@@H]2[C@H](O)[C@H]([C@@H]1O)O)O,"InChI=1S/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H/t1-,2-,3+,4+,5-,6+/m0/s1",ZHMWOVGZCINIHW-FTYOSCRSSA-N
BMGC_DG01975,BMG_DG016180,,,,
BMGC_DG01976,BMG_DG016191,C1CN(CCC1NCC2=CC3=C(N=N2)OCCO3)C[C@@H]4CN5C(=O)C=CC6=C5C4=C(C=C6)F,c1(=O)ccc2c3n1C[C@H](c3c(cc2)F)CN4CCC(NCc5cc6c(nn5)OCCO6)CC4,"InChI=1S/C24H26FN5O3/c25-19-3-1-15-2-4-21(31)30-14-16(22(19)23(15)30)13-29-7-5-17(6-8-29)26-12-18-11-20-24(28-27-18)33-10-9-32-20/h1-4,11,16-17,26H,5-10,12-14H2/t16-/m1/s1",SRICOHRDRMZREQ-MRXNPFEDSA-N
BMGC_DG01977,BMG_DG016276,CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)CC(=O)O)CC(C)C)CCCCN)CC(C)C)CC2=CC=CC=C2)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@@H]6CCCN6)C(=O)O)CC(C)C)CO)CCSC)CO,,"InChI=1S/C176H290N56O51S3/c1-14-95(10)143-172(280)201-84-138(245)209-125(86-234)168(276)221-113(54-65-284-13)159(267)229-124(85-233)152(260)200-81-135(242)206-114(66-91(2)3)150(258)198-83-140(247)211-128(174(282)283)89-286-285-88-127(170(278)224-118(70-98-34-16-15-17-35-98)151(259)199-80-137(244)207-115(67-92(4)5)162(270)217-108(41-23-29-60-182)155(263)223-117(69-94(8)9)164(272)226-122(75-142(250)251)167(275)219-110(160(268)231-143)44-32-63-193-176(188)189)210-139(246)82-197-149(257)105(38-20-26-57-179)215-169(277)126(87-235)230-163(271)116(68-93(6)7)208-136(243)79-196-147(255)103(36-18-24-55-177)213-153(261)106(39-21-27-58-180)218-166(274)121(74-132(185)239)222-144(252)96(11)203-133(240)77-195-148(256)104(37-19-25-56-178)214-165(273)119(71-99-46-48-101(236)49-47-99)225-156(264)107(40-22-28-59-181)216-154(262)109(43-31-62-192-175(186)187)212-145(253)97(12)204-161(269)120(73-131(184)238)227-171(279)129-45-33-64-232(129)173(281)123(72-100-76-190-90-202-100)228-158(266)112(51-53-141(248)249)220-157(265)111(50-52-130(183)237)205-134(241)78-194-146(254)102-42-30-61-191-102/h15-17,34-35,46-49,76,90-97,102-129,143,191,233-236H,14,18-33,36-45,50-75,77-89,177-182H2,1-13H3,(H2,183,237)(H2,184,238)(H2,185,239)(H,190,202)(H,194,254)(H,195,256)(H,196,255)(H,197,257)(H,198,258)(H,199,259)(H,200,260)(H,201,280)(H,203,240)(H,204,269)(H,205,241)(H,206,242)(H,207,244)(H,208,243)(H,209,245)(H,210,246)(H,211,247)(H,212,253)(H,213,261)(H,214,273)(H,215,277)(H,216,262)(H,217,270)(H,218,274)(H,219,275)(H,220,265)(H,221,276)(H,222,252)(H,223,263)(H,224,278)(H,225,264)(H,226,272)(H,227,279)(H,228,266)(H,229,267)(H,230,271)(H,231,268)(H,248,249)(H,250,251)(H,282,283)(H4,186,187,192)(H4,188,189,193)/t95-,96-,97-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,143-/m0/s1",IGYWDDBBJPSOTG-WBAGYEQSSA-N
BMGC_DG01978,BMG_DG016346,,,,
BMGC_DG01979,BMG_DG016352,,[C@@H]1(OC(=O)c2c(C1)cc3c(c2O)c(O)c(-c4c(cc5c(c4O)c(c6c(c5)C[C@H](OC6=O)C)O)OC)c(c3)OC)C,,CJKYODJTBJDEJI-VXGBXAGGSA-N
BMGC_DG01980,BMG_DG016357,,[Ru](=O)(=O)(=O)=O,,GJFMDWMEOCWXGJ-UHFFFAOYSA-N
BMGC_DG01981,BMG_DG016402,,,,
BMGC_DG01982,BMG_DG016403,,c1ccc(cc1)[C@H](C(=O)O)O,,IWYDHOAUDWTVEP-SSDOTTSWSA-N
BMGC_DG01983,BMG_DG016405,CN1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4,C12(N(CN(C)C1=O)c3ccccc3)CCN(CCCC(c4ccc(cc4)F)=O)CC2,"InChI=1S/C24H28FN3O2/c1-26-18-28(21-6-3-2-4-7-21)24(23(26)30)13-16-27(17-14-24)15-5-8-22(29)19-9-11-20(25)12-10-19/h2-4,6-7,9-12H,5,8,13-18H2,1H3",QHJLPOSPWKZACG-UHFFFAOYSA-N
BMGC_DG01984,BMG_DG016406,,c1(C(C(O)=O)=O)ccccc1,,FAQJJMHZNSSFSM-UHFFFAOYSA-N
BMGC_DG01985,BMG_DG016415,CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5,C1C(C)(COP(O1)(C=2C(C(C(=O)OCCN(c3ccccc3)Cc4ccccc4)=C(NC2C)C)c5cc(ccc5)[N+](=O)[O-])=O)C,"InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3",NSVFSAJIGAJDMR-UHFFFAOYSA-N
BMGC_DG01986,BMG_DG016420,C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)Cl)N,n1(c2c(c(nc(n2)Cl)N)nc1)[C@H]3[C@H]([C@H](O)[C@H](O3)CO)F,"InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1",WDDPHFBMKLOVOX-AYQXTPAHSA-N
BMGC_DG01987,BMG_DG016425,COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=C4C=CC(=CC4=NC=C3)Cl)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O,n1(-c2ccnc3cc(Cl)ccc32)nc(cc1-c4c(cccc4OC)OC)C(=O)NC5(C(O)=O)C6CC7CC5CC(C7)C6,"InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)",DYLJVOXRWLXDIG-UHFFFAOYSA-N
BMGC_DG01988,BMG_DG016426,CCCCCCOC1=C(C(=C(C(=C1)C)O)C)C,c1(cc(c(c(c1O)C)C)OCCCCCC)C,"InChI=1S/C15H24O2/c1-5-6-7-8-9-17-14-10-11(2)15(16)13(4)12(14)3/h10,16H,5-9H2,1-4H3",ATMNQRRJNBCQJO-UHFFFAOYSA-N
BMGC_DG01989,BMG_DG016429,C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)O)C)C,c1c(cc2c(c1)N(C)[C@@]3([C@]2(CCN3C)C)[H])O,"InChI=1S/C13H18N2O/c1-13-6-7-14(2)12(13)15(3)11-5-4-9(16)8-10(11)13/h4-5,8,12,16H,6-7H2,1-3H3/t12-,13+/m1/s1",HKGWQUVGHPDEBZ-OLZOCXBDSA-N
BMGC_DG01990,BMG_DG016432,,C1C(C=C2CC[C@@]3([C@]([C@@]2(C)C1)([H])CC[C@@]4([C@H](CC[C@@]34[H])OC(CCC(O)=O)=O)C)[H])=O,,CJQNBXFUHQZFOE-VYAQIDIUSA-N
BMGC_DG01991,BMG_DG016434,COC1=C(C=CC(=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O)OC)O,c1(cc(ccc1O)C[C@@]2([C@@](Cc3ccc(c(c3)OC)O)(COC2=O)[H])[H])OC,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",MATGKVZWFZHCLI-LSDHHAIUSA-N
BMGC_DG01992,BMG_DG016439,C1=CC(=C(C=C1CC=O)O)O,O=CCc1ccc(O)c(O)c1,"InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2",IADQVXRMSNIUEL-UHFFFAOYSA-N
BMGC_DG01993,BMG_DG016441,COC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2,,"InChI=1S/C13H9NO3/c1-16-9-3-5-11-13(7-9)17-12-6-8(15)2-4-10(12)14-11/h2-7H,1H3",KNYYMGDYROYBRE-UHFFFAOYSA-N
BMGC_DG01994,BMG_DG016448,CN1CCN(CC1)C(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)O3,,"InChI=1S/C13H20N2O4/c1-14-4-6-15(7-5-14)12(16)10-8-2-3-9(19-8)11(10)13(17)18/h8-11H,2-7H2,1H3,(H,17,18)/t8-,9+,10-,11+/m1/s1",JUQMLSGOTNKJKI-YTWAJWBKSA-N
BMGC_DG01995,BMG_DG016461,CC1=CC2=CC=CC=C2N=C1,c12c(ncc(c1)C)cccc2,"InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3",DTBDAFLSBDGPEA-UHFFFAOYSA-N
BMGC_DG01996,BMG_DG016464,C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C3=CC=C(C=C3)F)O,C1(O)(c2ccc(Cl)cc2)CCN(CCCC(O)c3ccc(F)cc3)CC1,"InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2",WNZBBTJFOIOEMP-UHFFFAOYSA-N
BMGC_DG01997,BMG_DG016465,CC(=CCC1=C(C=CC2=C1O[C@@H]3[C@H]2COC4=C3C=CC(=C4)O)O)C,,"InChI=1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/m0/s1",OFWYIUYVHYPQNX-JXFKEZNVSA-N
BMGC_DG01998,BMG_DG016478,C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)N,C1[C@H](N(C([C@@H](N)Cc2ccc(cc2)O)=O)CC1)C(=O)N[C@@H](Cc3ccccc3)C(N4CCC[C@H]4C(=O)N)=O,"InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1",LSQXZIUREIDSHZ-ZJZGAYNASA-N
BMGC_DG01999,BMG_DG016492,CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@H]4[C@@H]([C@H]3O)N=C(O4)N(C)C)CO)CO)CO)O)O,C(O)[C@H]1[C@]2([C@@]([C@@H](O)[C@@H]1O[C@H]3[C@H](NC(C)=O)[C@H](O)[C@H](O[C@H]4[C@H](NC(C)=O)[C@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](CO)O3)(N=C(N(C)C)O2)[H])[H],"InChI=1S/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,20-,21+,22+,23-,24-/m0/s1",MDWNFWDBQGOKNZ-XYUDZHFQSA-N
BMGC_DG02000,BMG_DG016494,C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)C(=O)N2C[C@@H](C[C@H]2C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)O,C1[C@H](O)C[C@@H](C(NCC(=O)N[C@@H](Cc2ccccc2)C(N[C@@H](CO)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@H](C(O)=O)CCCNC(N)=N)=O)=O)N1C([C@@H]5CCCN5C([C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)=O)=O,"InChI=1S/C60H87N19O13/c61-39(20-10-24-68-58(62)63)49(83)73-40(21-11-25-69-59(64)65)55(89)78-27-13-23-46(78)56(90)79-33-38(81)31-47(79)54(88)71-32-48(82)72-42(28-35-14-4-1-5-15-35)50(84)77-45(34-80)53(87)76-44(30-37-18-8-3-9-19-37)52(86)75-43(29-36-16-6-2-7-17-36)51(85)74-41(57(91)92)22-12-26-70-60(66)67/h1-9,14-19,38-47,80-81H,10-13,20-34,61H2,(H,71,88)(H,72,82)(H,73,83)(H,74,85)(H,75,86)(H,76,87)(H,77,84)(H,91,92)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t38-,39-,40+,41+,42+,43+,44-,45+,46+,47+/m1/s1",RBIXVHPHNGXTCI-QJTYZATASA-N
BMGC_DG02001,BMG_DG016502,CCCN(CCC)CC1CCCCN1CCNC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4,CCCN(CCC)CC1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4cccnc24,"InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)",MZDYABXXPZNUCT-UHFFFAOYSA-N
BMGC_DG02002,BMG_DG016509,,c12n(C3CC3)cc(C(O)=O)c(c1cc(F)c(c2F)-c4ccc(O)cc4)=O,,ISQTYKAFNUVODK-UHFFFAOYSA-N
BMGC_DG02003,BMG_DG016511,CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)N(C)C,C1N(c2ccccc2C(CC1)N(C)C)C(c3ccc(cc3)NC(c4ccccc4C)=O)=O,"InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)",WRNXUQJJCIZICJ-UHFFFAOYSA-N
BMGC_DG02004,BMG_DG016513,COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC,c12[nH]c3c(OC)cccc3c(c1cccc2C(Nc4ccc(CCN5Cc6cc(OC)c(cc6CC5)OC)cc4)=O)=O,"InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)",OSFCMRGOZNQUSW-UHFFFAOYSA-N
BMGC_DG02005,BMG_DG016516,CN1C=C(C2=CC=CC=C21)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C,c1ccc2c(cn(c2c1)C)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C,"InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3",MOZPSIXKYJUTKI-UHFFFAOYSA-N
BMGC_DG02006,BMG_DG016519,CC1=NOC(=C1)[C@@H]2CCCN2C,c1(onc(c1)C)[C@H]2N(CCC2)C,"InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1",ILLGYRJAYAAAEW-QMMMGPOBSA-N
BMGC_DG02007,BMG_DG016524,CCCCCCCC(=O)[O-],,"InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1",WWZKQHOCKIZLMA-UHFFFAOYSA-M
BMGC_DG02008,BMG_DG016527,C1=CC=C2C(=C1)N=C(S2)SC[C@@H](C(=O)O)N,,"InChI=1S/C10H10N2O2S2/c11-6(9(13)14)5-15-10-12-7-3-1-2-4-8(7)16-10/h1-4,6H,5,11H2,(H,13,14)/t6-/m0/s1",KRBPTLCTECPKGY-LURJTMIESA-N
BMGC_DG02009,BMG_DG016530,C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=C(C=C3O)C(=O)O,c1c(O)c2c(cc1)Cc3c(c(cc(c3)C(O)=O)O)C2=O,"InChI=1S/C15H10O5/c16-10-3-1-2-7-4-8-5-9(15(19)20)6-11(17)13(8)14(18)12(7)10/h1-3,5-6,16-17H,4H2,(H,19,20)",OZFQHULMMDWMIV-UHFFFAOYSA-N
BMGC_DG02010,BMG_DG016537,C1=C2C=C(NC2=CC(=C1O)O)C(=O)O,C(O)(=O)c1cc2c([nH]1)cc(c(c2)O)O,"InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10-12H,(H,13,14)",YFTGOBNOJKXZJC-UHFFFAOYSA-N
BMGC_DG02011,BMG_DG016540,C(CP(CCC(=O)O)CCC(=O)O)C(=O)O,P(CCC(O)=O)(CCC(O)=O)CCC(O)=O,"InChI=1S/C9H15O6P/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)",PZBFGYYEXUXCOF-UHFFFAOYSA-N
BMGC_DG02012,BMG_DG016559,CC(C)OC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O,c1c(cc2c(c(=O)c3cc(ccc3o2)C(O)=O)c1)OC(C)C,"InChI=1S/C17H14O5/c1-9(2)21-11-4-5-12-15(8-11)22-14-6-3-10(17(19)20)7-13(14)16(12)18/h3-9H,1-2H3,(H,19,20)",AQFFXPQJLZFABJ-UHFFFAOYSA-N
BMGC_DG02013,BMG_DG016578,,COC(=O)C1=CC[C@]2([H])CC[C@@]1([H])N2C,,MPSNEAHFGOEKBI-VXNVDRBHSA-N
BMGC_DG02014,BMG_DG016583,CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34C[C@@H]5C[C@H](C3)CC4C5,n1c2c(c(n(c(n2CCC)=O)CCC)=O)[nH]c1C34C[C@H]5C[C@H](CC3C5)C4,"InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)/t12-,13+,14?,20?",PJBFVWGQFLYWCB-QUYAXPHCSA-N
BMGC_DG02015,BMG_DG016604,C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl,[C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)c2cc(c(cc2)Cl)Cc3ccc(cc3)O[C@@H]4COCC4)O)O)O)CO,"InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1",OBWASQILIWPZMG-QZMOQZSNSA-N
BMGC_DG02016,BMG_DG016605,CC1=NN(C(=C1)N2CCN(CC2)[C@H]3C[C@H](NC3)C(=O)N4CCSC4)C5=CC=CC=C5,n1(nc(cc1N2CCN(CC2)[C@@H]3CN[C@@H](C3)C(N4CCSC4)=O)C)-c5ccccc5,"InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1",WGRQANOPCQRCME-PMACEKPBSA-N
BMGC_DG02017,BMG_DG016611,CC(=C)CCOP(=O)(O)OP(=O)(O)O,P(OP(=O)(O)O)(OCCC(C)=C)(=O)O,"InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)",NUHSROFQTUXZQQ-UHFFFAOYSA-N
BMGC_DG02018,BMG_DG016613,CC(C)NC(=O)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)NN=C5,c1ccc2c(c1)c(nc(n2)-c3cc(ccc3)OCC(=O)NC(C)C)Nc4ccc5c(c4)cn[nH]5,"InChI=1S/C26H24N6O2/c1-16(2)28-24(33)15-34-20-7-5-6-17(13-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(12-19)14-27-32-22/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31)",GKHIVNAUVKXIIY-UHFFFAOYSA-N
BMGC_DG02019,BMG_DG016618,CCC1(C(=O)N(C(=O)N1)C)C2=CC=C(C=C2)O,,"InChI=1S/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17)",OQPLORUDZLXXPD-UHFFFAOYSA-N
BMGC_DG02020,BMG_DG016619,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NCC4=NC5=C(N4)C=CC=N5)CC[C@@H]6[C@@]3(C=C(C(=O)N6C)F)C,[C@H]1(C(=O)NCc2[nH]c3c(nccc3)n2)CC[C@]4([C@@]5(CC[C@@]6([C@](C=C(C(=O)N6C)F)([C@]5(CC[C@@]41C)[H])C)[H])[H])[H],"InChI=1S/C27H34FN5O2/c1-26-11-10-17-15(6-9-21-27(17,2)13-19(28)25(35)33(21)3)16(26)7-8-18(26)24(34)30-14-22-31-20-5-4-12-29-23(20)32-22/h4-5,12-13,15-18,21H,6-11,14H2,1-3H3,(H,30,34)(H,29,31,32)/t15-,16-,17-,18+,21+,26-,27+/m0/s1",GBEUKTWTUSPHEE-JWJWXJQQSA-N
BMGC_DG02021,BMG_DG016622,C1=CC=C(C=C1)C(=O)CN,c1(C(CN)=O)ccccc1,"InChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2",HEQOJEGTZCTHCF-UHFFFAOYSA-N
BMGC_DG02022,BMG_DG016623,C1C(O1)(Cl)Cl,ClC1(Cl)CO1,InChI=1S/C2H2Cl2O/c3-2(4)1-5-2/h1H2,DPVAHOUXGQHEOI-UHFFFAOYSA-N
BMGC_DG02023,BMG_DG016626,CN1CCCCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C1)C=CC(=C4)Br)OC,O(C)c1cc2c3cc1OCCCCCN(Cc4c(Nc3ncn2)cc(cc4)Br)C,"InChI=1S/C22H25BrN4O2/c1-27-8-4-3-5-9-29-21-11-17-19(12-20(21)28-2)24-14-25-22(17)26-18-10-16(23)7-6-15(18)13-27/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3,(H,24,25,26)",JXDYOSVKVSQGJM-UHFFFAOYSA-N
BMGC_DG02024,BMG_DG016627,,Oc1cc(Br)c(Br)c(Br)c1Oc2ccc(Br)cc2Br,,LNZHBUPVHNJGJG-UHFFFAOYSA-N
BMGC_DG02025,BMG_DG016628,,,,
BMGC_DG02026,BMG_DG016630,C1CC(CN(C1=O)C[C@H](CC(=O)N2CCC3=C(C2)N=C(N=C3C(F)(F)F)C(F)(F)F)N)(F)F,O=C1CCC(F)(F)CN1C[C@@H](N)CC(N2CCc3c(C(F)(F)F)nc(C(F)(F)F)nc3C2)=O,"InChI=1S/C18H19F8N5O2/c19-16(20)3-1-12(32)31(8-16)6-9(27)5-13(33)30-4-2-10-11(7-30)28-15(18(24,25)26)29-14(10)17(21,22)23/h9H,1-8,27H2/t9-/m0/s1",ZWPRRQZNBDYKLH-VIFPVBQESA-N
BMGC_DG02027,BMG_DG016633,CN(C)CCNC(=O)COC1=C2CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5OCC(=O)NCCN(C)C)CC1=CC=C2)OCC(=O)NCCN(C)C)OCC(=O)NCCN(C)C,c1ccc2c(c1Cc3c(OCC(=O)NCCN(C)C)c(Cc4cccc(Cc5c(OCC(=O)NCCN(C)C)c(C2)ccc5)c4OCC(NCCN(C)C)=O)ccc3)OCC(NCCN(C)C)=O,"InChI=1S/C52H72N8O8/c1-57(2)25-21-53-45(61)33-65-49-37-13-9-14-38(49)30-40-16-11-18-42(51(40)67-35-47(63)55-23-27-59(5)6)32-44-20-12-19-43(52(44)68-36-48(64)56-24-28-60(7)8)31-41-17-10-15-39(29-37)50(41)66-34-46(62)54-22-26-58(3)4/h9-20H,21-36H2,1-8H3,(H,53,61)(H,54,62)(H,55,63)(H,56,64)",CQVAQQNDZCZBSU-UHFFFAOYSA-N
BMGC_DG02028,BMG_DG016637,,c1ccc2c3c([nH]c2c1)cnc(c3)N,,UGMPOJSWOINMDE-UHFFFAOYSA-N
BMGC_DG02029,BMG_DG016646,CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,C(C(=O)O[C@@H](C[N+](C)(C)C)CC(=O)[O-])CCCCCCCCCCCCCC,"InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m1/s1",XOMRRQXKHMYMOC-OAQYLSRUSA-N
BMGC_DG02030,BMG_DG016657,C[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC\2CC(C(C(CC(=O)CC(C(CCC(CC(CC(CC(=O)OC(C(C(C(/C=C/C=C/CC/C=C/C=C/C=C/C=C2)C)O)C)C)O)O)O)O)O)O)C(=O)O)O)O)N)O,,"InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-35(65-47-45(60)42(48)44(59)30(4)64-47)26-39(56)41(46(61)62)38(55)24-34(52)23-37(54)36(53)20-19-31(49)21-32(50)22-33(51)25-40(57)63-29(3)28(2)43(27)58/h5-6,8,10-18,27-33,35-39,41-45,47,49-51,53-56,58-60H,7,9,19-26,48H2,1-4H3,(H,61,62)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27?,28?,29?,30-,31?,32?,33?,35?,36?,37?,38?,39?,41?,42+,43?,44-,45+,47?/m1/s1",ZDFDJJJGIRGMBE-AFARJNEBSA-N
BMGC_DG02031,BMG_DG016662,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@@H](C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co],,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/p-2/t31-,34+,35+,36+,37-,41+,52+,53+,56?,57-,59+,60-,61-,62-;;/m0../s1",ITFLMCXLENHUAD-PMEYKKDOSA-L
BMGC_DG02032,BMG_DG016666,CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC(=C(C=C45)OC)[C@H]6C[C@@H]\7C([C@@H](CC8=C6NC9=CC=CC=C89)N(C/C7=C/C)C)C(=O)OC)C(=O)OC,,"InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23-,24-,28-,31+,35+,37?,40-,43+/m0/s1",VCMIRXRRQJNZJT-XRMSBCOFSA-N
BMGC_DG02033,BMG_DG016683,,[C@@]12(C=3[C@@](c4c(cc(O)cc4)CC3)(CC[C@@]1([C@@H](O)CC2)C)[H])[H],,NLLMJANWPUQQTA-UBDQQSCGSA-N
BMGC_DG02034,BMG_DG016686,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O)OC,c1c(cc2c(c1)[C@@]3([C@@](CC2)([C@]4([C@](C[C@@H]3OC)([C@](CC4)(O)C#C)C)[H])[H])[H])O,"InChI=1S/C21H26O3/c1-4-21(23)10-9-17-16-7-5-13-11-14(22)6-8-15(13)19(16)18(24-3)12-20(17,21)2/h1,6,8,11,16-19,22-23H,5,7,9-10,12H2,2-3H3/t16-,17-,18-,19+,20-,21-/m0/s1",MTMZZIPTQITGCY-OLGWUGKESA-N
BMGC_DG02035,BMG_DG016728,,C[C@]12CCC(=O)C=C1CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)C[C@@H](O)[C@@]32[H],,YQDZGFAYWGWSJK-RUOITVIXSA-N
BMGC_DG02036,BMG_DG016729,,C1(C=C[C@@]2([C@]3(CC[C@@]4([C@H](CC[C@]4([C@@]3([C@@H](CC2=C1)C)[H])[H])O)C)[H])C)=O,,YQVYJAMTSLBOFT-UQYBFTDGSA-N
BMGC_DG02037,BMG_DG016752,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C,,"InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1",BQMSKLCEWBSPPY-IKVTXIKFSA-N
BMGC_DG02038,BMG_DG016789,CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O,,"InChI=1S/C17H16ClNO.C4H4O4/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;5-3(6)1-2-4(7)8/h2-8,14-15H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-",GMDCDXMAFMEDAG-BTJKTKAUSA-N
BMGC_DG02039,BMG_DG016798,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C)CCC4=CC(=O)C=C[C@]34C,[C@]12(C)C(CC[C@@]3([H])[C@]4([C@](C)(CC[C@]13[H])[C@@H](OC(=O)CCCCCCCCC=C)CC4)[H])=CC(C=C2)=O,"InChI=1S/C30H44O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h4,17,19,21,24-27H,1,5-16,18,20H2,2-3H3/t24-,25-,26-,27-,29-,30-/m0/s1",AHMMSNQYOPMLSX-CNQKSJKFSA-N
BMGC_DG02040,BMG_DG016828,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)COC(=O)C)C)O)Cl)C)F,C1(C=C[C@@]2([C@]3([C@H](C[C@@]4([C@H]([C@@H](C[C@]4([C@@]3(C[C@@H](C2=C1)F)[H])[H])C)C(COC(=O)C)=O)C)O)Cl)C)=O,"InChI=1S/C24H30ClFO5/c1-12-7-15-16-9-18(26)17-8-14(28)5-6-23(17,4)24(16,25)20(30)10-22(15,3)21(12)19(29)11-31-13(2)27/h5-6,8,12,15-16,18,20-21,30H,7,9-11H2,1-4H3/t12-,15+,16+,18+,20+,21-,22+,23+,24+/m1/s1",ARPLCFGLEYFDCN-CDACMRRYSA-N
BMGC_DG02041,BMG_DG016840,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)CO)C)O)F)C)F,[C@]12([C@@]3([C@]([C@@]4(C[C@@H](C)[C@@H]([C@]4(C[C@@H]3O)C)C(=O)CO)[H])(C[C@@H](C1=CC(=O)C=C2)F)[H])F)C,"InChI=1S/C22H28F2O4/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-21(15,3)22(14,24)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1",OGPWIDANBSLJPC-RFPWEZLHSA-N
BMGC_DG02042,BMG_DG016847,,,,
BMGC_DG02043,BMG_DG016861,CC1=C(N(C2=CC=CC=C12)CCCCCCCC(=O)O)C3=CN=CC=C3,n1(c(c(C)c2c1cccc2)-c3cnccc3)CCCCCCCC(=O)O,"InChI=1S/C22H26N2O2/c1-17-19-11-6-7-12-20(19)24(22(17)18-10-9-14-23-16-18)15-8-4-2-3-5-13-21(25)26/h6-7,9-12,14,16H,2-5,8,13,15H2,1H3,(H,25,26)",CVVKIXNPXDBREE-UHFFFAOYSA-N
BMGC_DG02044,BMG_DG016864,,n1cnc(c2cc(c(cc12)OC)OC)N3C[C@@H](CC3)Oc4nc5ccccc5nc4,,UBIIFKJMNRPNMT-CQSZACIVSA-N
BMGC_DG02045,BMG_DG016866,CC(C)C1=CC(=C(C=C1O)O)C(=O)N2CC3=C(C2)C=C(C=C3)CN4CCN(CC4)C,c1(c(cc(c(c1)O)C(C)C)C(N2Cc3c(C2)cc(cc3)CN4CCN(CC4)C)=O)O,"InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3",IFRGXKKQHBVPCQ-UHFFFAOYSA-N
BMGC_DG02046,BMG_DG016867,CC1=CC(=C(C=C1Br)NC(=O)NC2=NC=C(N=C2)C)OC[C@@H]3CNCCO3,c1nc(NC(Nc2c(cc(c(c2)Br)C)OC[C@H]3OCCNC3)=O)cnc1C,"InChI=1S/C18H22BrN5O3/c1-11-5-16(27-10-13-8-20-3-4-26-13)15(6-14(11)19)23-18(25)24-17-9-21-12(2)7-22-17/h5-7,9,13,20H,3-4,8,10H2,1-2H3,(H2,22,23,24,25)/t13-/m0/s1",SYYBDNPGDKKJDU-ZDUSSCGKSA-N
BMGC_DG02047,BMG_DG016880,CCCN[C@H]1CCC2=C(C1)SC(=N2)N.Cl.Cl,n1c2c(sc1N)C[C@H](CC2)NCCC.Cl.Cl,"InChI=1S/C10H17N3S.2ClH/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;;/h7,12H,2-6H2,1H3,(H2,11,13);2*1H/t7-;;/m0../s1",QMNWXHSYPXQFSK-KLXURFKVSA-N
BMGC_DG02048,BMG_DG016882,CCCN[C@H]1CCC2=C(C1)SC(=N2)N,n1c(sc2c1CC[C@H](NCCC)C2)N,"InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1",FASDKYOPVNHBLU-ZETCQYMHSA-N
BMGC_DG02049,BMG_DG016884,,,,
BMGC_DG02050,BMG_DG016885,,,,
BMGC_DG02051,BMG_DG016888,,,,
BMGC_DG02052,BMG_DG016902,C[C@@H]1CC[C@]2([C@@H](C[C@H]([C@H](O2)[C@H](C)C(=O)C3=CC=CN3)C)C)O[C@@H]1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC,c1([nH]ccc1)C([C@H]([C@@]2([C@@H](C[C@H]([C@]3(O2)O[C@@H]([C@@H](CC3)C)Cc4nc5c(c(ccc5o4)NC)C(=O)O)C)C)[H])C)=O,"InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1",HIYAVKIYRIFSCZ-CYEMHPAKSA-N
BMGC_DG02053,BMG_DG016922,,C(CSC(=N)N)c1cnc[nH]1.Br.Br,,DOBOYMKCRRLTRF-UHFFFAOYSA-N
BMGC_DG02054,BMG_DG016965,,C(C[C@@H](Cc1c(cc(cc1)F)F)N)(=O)N2Cc3n(CC2)c(nn3)C(F)(F)F,,FWMYEIUDYSGXQO-LLVKDONJSA-N
BMGC_DG02055,BMG_DG016970,,C(C(N[C@H](C(NCCCCCNC(CCNCCCCNCCCN)=O)=O)CC(N)=O)=O)c1c(O)cc(O)cc1,,SJLRBGDPTALRDM-QFIPXVFZSA-N
BMGC_DG02056,BMG_DG016973,CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=C(C=C3)F)Cl)N,C(c1c(cc(c(c1)Cl)N)OCC)(=O)NCC2CN(CCO2)Cc3ccc(cc3)F,"InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)",YPELFRMCRYSPKZ-UHFFFAOYSA-N
BMGC_DG02057,BMG_DG016977,C[C@@]12CC[C@@H](C1(C)C)C[C@@]2(C3=CC=CC=C3)OCCN(C)C,C[C@@]12CC[C@@]([H])(C1(C)C)C[C@]2(OCCN(C)C)c3ccccc3,"InChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1",QOBGWWQAMAPULA-RLLQIKCJSA-N
BMGC_DG02058,BMG_DG016990,C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N,c1ccc(c2c1[nH]c([C@@]3(NCCC3)C)n2)C(N)=O,"InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1",JNAHVYVRKWKWKQ-CYBMUJFWSA-N
BMGC_DG02059,BMG_DG016991,CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N,S(c1ccc(-c2c(noc2C)-c3ccccc3)cc1)(=O)(=O)N,"InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)",LNPDTQAFDNKSHK-UHFFFAOYSA-N
BMGC_DG02060,BMG_DG016994,CC(C)C1=NC2=C(C=CC=C2N1)C(=O)NCC3CCN(CC3)CC4CCN(CC4)C(=O)OC,N1(CCC(CC1)CN2CCC(CC2)CNC(=O)c3cccc4nc([nH]c43)C(C)C)C(=O)OC,"InChI=1S/C25H37N5O3/c1-17(2)23-27-21-6-4-5-20(22(21)28-23)24(31)26-15-18-7-11-29(12-8-18)16-19-9-13-30(14-10-19)25(32)33-3/h4-6,17-19H,7-16H2,1-3H3,(H,26,31)(H,27,28)",MZOITCJKGUIQEI-UHFFFAOYSA-N
BMGC_DG02061,BMG_DG017014,C1=CC=C(C(=C1)[C@H](CN2N=CN=N2)OC(=O)N)Cl,[C@@H](Cn1ncnn1)(OC(N)=O)c2c(cccc2)Cl,"InChI=1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9-/m0/s1",GFHAXPJGXSQLPT-VIFPVBQESA-N
BMGC_DG02062,BMG_DG017017,C1=CC=C(C=C1)C(COCCCCCCNC[C@@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O)(F)F,FC(F)(c1ccccc1)COCCCCCCNC[C@@H](c2ccc(O)c3c2ccc(=O)[nH]3)O,"InChI=1S/C25H30F2N2O4/c26-25(27,18-8-4-3-5-9-18)17-33-15-7-2-1-6-14-28-16-22(31)19-10-12-21(30)24-20(19)11-13-23(32)29-24/h3-5,8-13,22,28,30-31H,1-2,6-7,14-17H2,(H,29,32)/t22-/m0/s1",SFYAXIFVXBKRPK-QFIPXVFZSA-N
BMGC_DG02063,BMG_DG017028,,,,
BMGC_DG02064,BMG_DG017029,,,,
BMGC_DG02065,BMG_DG017030,,,,
BMGC_DG02066,BMG_DG017031,,,,
BMGC_DG02067,BMG_DG017032,,,,
BMGC_DG02068,BMG_DG017037,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.[Fe+4],,InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q5*-1;+4;-1,PAORBFBZBNPTCL-UHFFFAOYSA-N
BMGC_DG02069,BMG_DG017042,,,,
BMGC_DG02070,BMG_DG017047,,N1(CCN(CC1)CC)CC(=O)Nc2ccc(c3c2c4c(s3)cccc4)-c5cccc6c(cc(oc65)N7CCOCC7)=O,,AATCBLYHOUOCTO-UHFFFAOYSA-N
BMGC_DG02071,BMG_DG017056,CS(=O)(=O)C1=CC=CC(=C1)C[C@@H](C(=O)O)NC(=O)C2=C(C=C3CN(CCC3=C2Cl)C(=O)C4=CC5=C(C=C4)C=CO5)Cl,C([C@H](Cc1cc(ccc1)S(=O)(=O)C)NC(=O)c2c(c3CCN(Cc3cc2Cl)C(=O)c4ccc5ccoc5c4)Cl)(=O)O,"InChI=1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1",JFOZKMSJYSPYLN-QHCPKHFHSA-N
BMGC_DG02072,BMG_DG017058,C[C@@H](C1=CC=CC=C1)SC2=NC3=C(C(=N2)N[C@H](CC(C)C)CO)SC(=N3)N,N([C@H](CC(C)C)CO)c1c2c(nc(S[C@@H](C)c3ccccc3)n1)nc(N)s2,"InChI=1S/C19H25N5OS2/c1-11(2)9-14(10-25)21-16-15-17(22-18(20)27-15)24-19(23-16)26-12(3)13-7-5-4-6-8-13/h4-8,11-12,14,25H,9-10H2,1-3H3,(H3,20,21,22,23,24)/t12-,14+/m0/s1",ZMQSLMZOWVGBSM-GXTWGEPZSA-N
BMGC_DG02073,BMG_DG017073,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O,,"InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1",DUAFKXOFBZQTQE-QSGBVPJFSA-N
BMGC_DG02074,BMG_DG017137,,,,
BMGC_DG02075,BMG_DG017138,C1=CC=C2C(=C1)C(=NO2)CS(=N)(=O)O,,"InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)",UBQNRHZMVUUOMG-UHFFFAOYSA-N
BMGC_DG02076,BMG_DG017139,CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])/C=C/C=C/C=C/C=C/4\C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+],,"InChI=1S/C43H48N2O6S2.Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);/q;+1/p-1",MOFVSTNWEDAEEK-UHFFFAOYSA-M
BMGC_DG02077,BMG_DG017140,,,,
BMGC_DG02078,BMG_DG017143,CN1[C@@H]2CC(C[C@H]1[C@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4,,"InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12-,13-,14+,15+,16+/m1/s1",STECJAGHUSJQJN-SFSMXDMGSA-N
BMGC_DG02079,BMG_DG017146,,O([C@@]1(CO)[C@@H](OC(/C=C/c2cc(OC)c(c(c2)OC)O)=O)[C@@H]([C@H](O1)CO)O)[C@H]3O[C@H](COC(/C=C/c4cc(OC)c(c(c4)OC)O)=O)[C@H]([C@@H]([C@H]3O)O)O,,FHIJMQWMMZEFBL-OPSYHMPNSA-N
BMGC_DG02080,BMG_DG017171,C1=CC=C(C(=C1)CC(=O)O)O,c1(c(cccc1)O)CC(O)=O,"InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)",CCVYRRGZDBSHFU-UHFFFAOYSA-N
BMGC_DG02081,BMG_DG017245,,c1c(-c2nc(nc(n2)N)N)c(Cl)cc3c1cccc3,,WEOTZQJNSSNRPX-UHFFFAOYSA-N
BMGC_DG02082,BMG_DG017281,C1=CC(=C(C=C1C(=N)N)Br)OCCCOC2=C(C=C(C=C2)C(=N)N)Br.C(CS(=O)(=O)O)O,,"InChI=1S/C17H18Br2N4O2.C2H6O4S/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19;3-1-2-7(4,5)6/h2-5,8-9H,1,6-7H2,(H3,20,21)(H3,22,23);3H,1-2H2,(H,4,5,6)",BZACJASHKPPTKX-UHFFFAOYSA-N
BMGC_DG02083,BMG_DG017285,CC1=CC(=CC2=C1N=C(N=N2)NC3=CC=C(C=C3)OCCN4CCCC4)C5=C(C=CC(=C5)OC(=O)C6=CC=CC=C6)Cl,c1(cc(c(cc1)Cl)-c2cc(c3nc(nnc3c2)Nc4ccc(cc4)OCCN5CCCC5)C)OC(c6ccccc6)=O,"InChI=1S/C33H30ClN5O3/c1-22-19-24(28-21-27(13-14-29(28)34)42-32(40)23-7-3-2-4-8-23)20-30-31(22)36-33(38-37-30)35-25-9-11-26(12-10-25)41-18-17-39-15-5-6-16-39/h2-4,7-14,19-21H,5-6,15-18H2,1H3,(H,35,36,38)",JMGXJHWTVBGOKG-UHFFFAOYSA-N
BMGC_DG02084,BMG_DG017286,CC1=NC2=CC=CC(=C2C(=O)N1C3=CC=C(C=C3)OC4CCN(CC4)C5CCC5)C(F)(F)F,n1c(n(c(c2c(cccc12)C(F)(F)F)=O)-c3ccc(cc3)OC4CCN(CC4)C5CCC5)C,"InChI=1S/C25H26F3N3O2/c1-16-29-22-7-3-6-21(25(26,27)28)23(22)24(32)31(16)18-8-10-19(11-9-18)33-20-12-14-30(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3",ZWUFGBNOUKQGBR-UHFFFAOYSA-N
BMGC_DG02085,BMG_DG017287,C1=CC(=C(C=C1C(=N)N)Br)OCCCOC2=C(C=C(C=C2)C(=N)N)Br,C(c1ccc(c(c1)Br)OCCCOc2ccc(cc2Br)C(=N)N)(N)=N,"InChI=1S/C17H18Br2N4O2/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19/h2-5,8-9H,1,6-7H2,(H3,20,21)(H3,22,23)",GMJFVGRUYJHMCO-UHFFFAOYSA-N
BMGC_DG02086,BMG_DG017289,,C#CCOC(=O)c1ccc(S(N)(=O)=O)cc1,,IORJVPBKDUGFOJ-UHFFFAOYSA-N
BMGC_DG02087,BMG_DG017291,C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C3=CC[C@@H]([C@H](C3)N)C4=CC(=C(C=C4F)F)F,,"InChI=1S/C19H17F6N5O/c20-12-7-14(22)13(21)6-11(12)10-2-1-9(5-15(10)26)17(31)29-3-4-30-16(8-29)27-28-18(30)19(23,24)25/h1,6-7,10,15H,2-5,8,26H2/t10-,15+/m1/s1",NVVSPGQEXMJZIR-BMIGLBTASA-N
BMGC_DG02088,BMG_DG017309,CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5,c1(C(C#N)(C)C)ccc(cc1)-n2c(=O)n(C)c3cnc4ccc(cc4c32)-c5cnc6ccccc6c5,"InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3",JOGKUKXHTYWRGZ-UHFFFAOYSA-N
BMGC_DG02089,BMG_DG017311,C[C@@H](CC1(C2=C(CCC3=C1C=CC(=C3)C(=O)N(C)C)C=C(C=C2)C(=O)N(C)C)C4=NNN=N4)NCC(=O)N5CCC[C@H]5C#N,c12c(C(c3c(CC1)cc(cc3)C(=O)N(C)C)(c4nnn[nH]4)C[C@H](C)NCC(=O)N5[C@@H](CCC5)C#N)ccc(c2)C(=O)N(C)C,"InChI=1S/C32H39N9O3/c1-20(34-19-28(42)41-14-6-7-25(41)18-33)17-32(31-35-37-38-36-31)26-12-10-23(29(43)39(2)3)15-21(26)8-9-22-16-24(11-13-27(22)32)30(44)40(4)5/h10-13,15-16,20,25,34H,6-9,14,17,19H2,1-5H3,(H,35,36,37,38)/t20-,25-/m0/s1",NVSWJKWHLUTHLP-CPJSRVTESA-N
BMGC_DG02090,BMG_DG017313,,c1(nc2ccccc2n1C)-c3cc4n(c(CCC)nc4c(c3)C)Cc5ccc(-c6c(C(=O)N)cccc6)cc5,,YAIWQMXHIQDCFT-UHFFFAOYSA-N
BMGC_DG02091,BMG_DG017320,,Oc1c(Oc2ccc(Br)cc2Br)cc(Br)c(Br)c1Br,,FSIJSYKTNOYMTQ-UHFFFAOYSA-N
BMGC_DG02092,BMG_DG017321,CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)C(F)(F)F)C6=CN=C(C=C6)OC,n1cc2c(c3cc(ccc13)-c4cnc(cc4)OC)n(c(n2C)=O)-c5cc(c(cc5)N6CCNCC6)C(F)(F)F,"InChI=1S/C28H25F3N6O2/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36/h3-8,13-16,32H,9-12H2,1-2H3",BMMXYEBLEBULND-UHFFFAOYSA-N
BMGC_DG02093,BMG_DG017323,C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C5C=CSC5=CC=C4,O=c1ccc2ccc(OCCCCN3CCN(c4c5ccsc5ccc4)CC3)cc2[nH]1,"InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)",ZKIAIYBUSXZPLP-UHFFFAOYSA-N
BMGC_DG02094,BMG_DG017324,CC1=CC2=C(C=C1)N=CN2,Cc1cc2c(cc1)nc[nH]2,"InChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)",RWXZXCZBMQPOBF-UHFFFAOYSA-N
BMGC_DG02095,BMG_DG017326,,,,
BMGC_DG02096,BMG_DG017328,C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCCN)C(=O)NCC(=O)N.C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N,,"InChI=1S/C46H65N15O12S2.C46H65N13O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25;47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53);1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)",JLTCWSBVQSZVLT-UHFFFAOYSA-N
BMGC_DG02097,BMG_DG017350,C(C(C(C(=O)O)O)C(=O)O)C(=O)O,OC(C(C(CC(O)=O)C(O)=O)O)=O,"InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)",ODBLHEXUDAPZAU-UHFFFAOYSA-N
BMGC_DG02098,BMG_DG017363,,C(c1ccccc1)(c2ccccc2)CCNC,,AKEGHAUFMKCWGX-UHFFFAOYSA-N
BMGC_DG02099,BMG_DG017375,CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C,S(NC(=O)CC)(c1ccc(-c2c(noc2C)-c3ccccc3)cc1)(=O)=O,"InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)",TZRHLKRLEZJVIJ-UHFFFAOYSA-N
BMGC_DG02100,BMG_DG017379,C1C(=O)CC2=CC=CC=C21,c12c(CC(C1)=O)cccc2,"InChI=1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2",UMJJFEIKYGFCAT-UHFFFAOYSA-N
BMGC_DG02101,BMG_DG017385,,C(N(C(CCC1CCCC1)=O)CCN(C)C)c2ccc(cc2)-c3ccc(CNCCc4ccccc4)cc3.Cl.Cl,,QJMKBIHLMPTYTI-UHFFFAOYSA-N
BMGC_DG02102,BMG_DG017394,,O(C(=O)c1ccccc1)[C@@]2(C(CO)=O)[C@]3(C)[C@@](CC2)([C@]4([C@]([C@H](C3)O)([C@]5(C)C(CC4)=CC(CC5)=O)[H])[H])[H],,LPEYMYDYPGRLBU-YGZHYJPASA-N
BMGC_DG02103,BMG_DG017404,C1=CC=C2C(=C1)NC(=O)N2,c1([nH]c2c([nH]1)cccc2)=O,"InChI=1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)",SILNNFMWIMZVEQ-UHFFFAOYSA-N
BMGC_DG02104,BMG_DG017414,,,,
BMGC_DG02105,BMG_DG017422,,,,
BMGC_DG02106,BMG_DG017426,,,,
BMGC_DG02107,BMG_DG017427,,,,
BMGC_DG02108,BMG_DG017428,,,,
BMGC_DG02109,BMG_DG017429,,,,
BMGC_DG02110,BMG_DG017430,,,,
BMGC_DG02111,BMG_DG017431,,,,
BMGC_DG02112,BMG_DG017432,,CC(C)(C)C(=O)Oc1ccc2c(c1)nc(NC(=O)c3cccc([N+](=O)[O-])c3)n2CCCO,,CEAYRKIZESVQSN-UHFFFAOYSA-N
BMGC_DG02113,BMG_DG017434,,s1c(nc2c1cccc2)NN,,JYSUYJCLUODSLN-UHFFFAOYSA-N
BMGC_DG02114,BMG_DG017456,CCOC1=CC=C(C=C1)CC2=CC(=C(C=C2C)OC)[C@H]3[C@@H]([C@H]([C@@H]([C@H](S3)CO)O)O)O,[C@@H]1(S[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c2cc(c(cc2OC)C)Cc3ccc(cc3)OCC)CO,"InChI=1S/C23H30O6S/c1-4-29-16-7-5-14(6-8-16)10-15-11-17(18(28-3)9-13(15)2)23-22(27)21(26)20(25)19(12-24)30-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1",WHSOLWOTCHFFBK-ZQGJOIPISA-N
BMGC_DG02115,BMG_DG017479,,,,
BMGC_DG02116,BMG_DG017489,C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C)C(=O)N)CC2=CNC3=CC=CC=C32)CCCN=C(N)N)CC4=CC=CC=C4)CC5=CN=CN5,C(c1c2c([nH]c1)cccc2)[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](Cc5cnc[nH]5)NC([C@H](NC([C@H](CSSC[C@H](NC3=O)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)=O)C)=O,"InChI=1S/C49H68N18O9S2/c1-26-41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(19-29-21-58-32-13-7-6-12-31(29)32)45(74)66-38(40(50)69)23-77-78-24-39(47(76)60-26)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52/h3-7,10-13,21-22,25-26,33-39,58H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57)/t26-,33+,34+,35-,36+,37+,38+,39+/m1/s1",HDHDTKMUACZDAA-PHNIDTBTSA-N
BMGC_DG02117,BMG_DG017490,C[C@H]1C[C@@H](CN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC)N,c1c(c(c2n(C3CC3)cc(c(=O)c2c1)C(O)=O)OC)N4C[C@H](C[C@@H](C4)C)N,"InChI=1S/C20H25N3O4/c1-11-7-12(21)9-22(8-11)16-6-5-14-17(19(16)27-2)23(13-3-4-13)10-15(18(14)24)20(25)26/h5-6,10-13H,3-4,7-9,21H2,1-2H3,(H,25,26)/t11-,12-/m0/s1",AVPQPGFLVZTJOR-RYUDHWBXSA-N
BMGC_DG02118,BMG_DG017493,,SCc1ccc(-c2cccnc2)o1,,GLMNDKCXHHOKIQ-UHFFFAOYSA-N
BMGC_DG02119,BMG_DG017494,,C(N)c1oc(cc1)-c2ccccc2,,HQHHWOJYOUTZHZ-UHFFFAOYSA-N
BMGC_DG02120,BMG_DG017495,C1=CC=C(C=C1)C(=O)CN2C(=O)C=CN(C2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O,,"InChI=1S/C17H20N2O13P2/c20-11(10-4-2-1-3-5-10)8-19-13(21)6-7-18(17(19)24)16-15(23)14(22)12(31-16)9-30-34(28,29)32-33(25,26)27/h1-7,12,14-16,22-23H,8-9H2,(H,28,29)(H2,25,26,27)/t12-,14-,15-,16-/m1/s1",SEUHNFHNNANEAJ-DTZQCDIJSA-N
BMGC_DG02121,BMG_DG017500,COC1=CC=C(C=C1)C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)NN4CCCCC4)C#N,COc1ccc(-c2c(C#N)c(C(NN3CCCCC3)=O)nn2-c4c(Cl)cc(Cl)cc4)cc1,"InChI=1S/C23H21Cl2N5O2/c1-32-17-8-5-15(6-9-17)22-18(14-26)21(23(31)28-29-11-3-2-4-12-29)27-30(22)20-10-7-16(24)13-19(20)25/h5-10,13H,2-4,11-12H2,1H3,(H,28,31)",MCNQUWLLXZZZAC-UHFFFAOYSA-N
BMGC_DG02122,BMG_DG017502,,,,
BMGC_DG02123,BMG_DG017513,,CCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1CC(=O)O,,HQVOROHHYWZJLD-UHFFFAOYSA-N
BMGC_DG02124,BMG_DG017514,,Oc1cc2c(c(cc(o2)-c3ccc(cc3)O)=O)c(c1O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@H](O4)C(=O)O)O,,HBLWMMBFOKSEKW-BHWDSYMASA-N
BMGC_DG02125,BMG_DG017522,CC(C1=CC2=C(C=C1)C3=CC(=C(C=C3OC2=O)OCC4=CC=C(C=C4)OC)OC)O,c1(c(cc2c(c1)c3c(c(o2)=O)cc(cc3)C(O)C)OCc4ccc(cc4)OC)OC,"InChI=1S/C24H22O6/c1-14(25)16-6-9-18-19-11-22(28-3)23(12-21(19)30-24(26)20(18)10-16)29-13-15-4-7-17(27-2)8-5-15/h4-12,14,25H,13H2,1-3H3",YEAHTLOYHVWAKW-UHFFFAOYSA-N
BMGC_DG02126,BMG_DG017523,CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCP3(=O)OCC[C@H](O3)C4=CC(=CC=C4)Cl,,"InChI=1S/C28H32ClO5P/c1-18(2)25-14-21(8-9-27(25)30)15-26-19(3)12-24(13-20(26)4)32-17-35(31)33-11-10-28(34-35)22-6-5-7-23(29)16-22/h5-9,12-14,16,18,28,30H,10-11,15,17H2,1-4H3/t28-,35?/m0/s1",LGGPZDRLTDGYSQ-GYKKGXIBSA-N
BMGC_DG02127,BMG_DG017534,C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)NC(=O)C(=O)NC2=CC=CC=C2C(C)(C)C,C(C(O)=O)[C@H](NC(=O)[C@@H](NC(C(Nc1c(cccc1)C(C)(C)C)=O)=O)C)C(COc2c(c(cc(c2F)F)F)F)=O,"InChI=1S/C26H27F4N3O7/c1-12(31-24(38)25(39)32-16-8-6-5-7-13(16)26(2,3)4)23(37)33-17(10-19(35)36)18(34)11-40-22-20(29)14(27)9-15(28)21(22)30/h5-9,12,17H,10-11H2,1-4H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t12-,17-/m0/s1",SCVHJVCATBPIHN-SJCJKPOMSA-N
BMGC_DG02128,BMG_DG017540,CC(=O)N1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3,N(C(=O)NC12CC3CC(CC(C1)C3)C2)C4CCN(CC4)C(=O)C,"InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)",HUDQLWBKJOMXSZ-UHFFFAOYSA-N
BMGC_DG02129,BMG_DG017544,,,,
BMGC_DG02130,BMG_DG017546,,[C@@H]1(N2CCN(C(C)=O)C(C2)O)C[C@H](c3c(cc(F)cc3)C)N(CC1)C(=O)N(C)[C@H](C)c4cc(cc(c4)C(F)(F)F)C(F)(F)F,,IMIUKXZVUAUOBR-GFILMBHASA-N
BMGC_DG02131,BMG_DG017548,,COCCc1cc(CN(C([C@H]2CNCC[C@@H]2c3cnc(OCCOc4c(Cl)cc(C)cc4Cl)cc3)=O)C5CC5)c(Cl)cc1,,PGSRKJVMAOWDEC-SXOMAYOGSA-N
BMGC_DG02132,BMG_DG017559,,N1(c2c(C=C(c3c1cccc3)OC)cccc2)C(=O)N,,PIZOFBKQWNPKDK-UHFFFAOYSA-N
BMGC_DG02133,BMG_DG017564,,n1c(c2CCCc2[nH]1)-c3ccccc3,,VHFKRPJDQQZAOP-UHFFFAOYSA-N
BMGC_DG02134,BMG_DG017572,C1CCC2=C(C1)C=CC3=C(C(=C(N=C23)CC4=CC=C(C=C4)Cl)O)C(=O)O,n1c(c(c(c2ccc3c(c12)CCCC3)C(=O)O)O)Cc4ccc(cc4)Cl,"InChI=1S/C21H18ClNO3/c22-14-8-5-12(6-9-14)11-17-20(24)18(21(25)26)16-10-7-13-3-1-2-4-15(13)19(16)23-17/h5-10,24H,1-4,11H2,(H,25,26)",DIEPFYNZGUUVHD-UHFFFAOYSA-N
BMGC_DG02135,BMG_DG017577,C1=CC(=C(C=C1Br)Br)O,Brc1c(O)ccc(Br)c1,"InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",FAXWFCTVSHEODL-UHFFFAOYSA-N
BMGC_DG02136,BMG_DG017584,,c1(nc(-c2ccccc2)[nH]c1C)C(=O)O,,NEDPOZZCAYIDNP-UHFFFAOYSA-N
BMGC_DG02137,BMG_DG017647,,C1(NC(=S)SC1)=O,,KIWUVOGUEXMXSV-UHFFFAOYSA-N
BMGC_DG02138,BMG_DG017648,CN1[C@@H]2CC[C@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4,N1([C@@H]2C[C@@H](OC(c3ccccc3)c4ccccc4)C[C@H]1CC2)C,"InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20?",GIJXKZJWITVLHI-YOFSQIOKSA-N;GIJXKZJWITVLHI-PMOLBWCYSA-N
BMGC_DG02139,BMG_DG017658,,C(c1c[nH]c2cccc(OC)c21)CN(C)C,,HFYHBTWTJDAYGW-UHFFFAOYSA-N
BMGC_DG02140,BMG_DG017675,,c1(n(c(-c2ccccc2)c(n1)-c3ccccc3)CC)-c4c(-c5cc(OCC(=O)O)ccc5)cccc4,,DCIIPAVLKWKYHU-UHFFFAOYSA-N
BMGC_DG02141,BMG_DG017682,,NS(=O)(=O)c1ccc(F)cc1,,LFLSATHZMYYIAQ-UHFFFAOYSA-N
BMGC_DG02142,BMG_DG017683,C1=C(C=NC=C1F)C(=O)O,C(O)(=O)c1cc(F)cnc1,"InChI=1S/C6H4FNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)",BXZSBDDOYIWMGC-UHFFFAOYSA-N
BMGC_DG02143,BMG_DG017685,,C(CNC)c1ccc(cc1)F,,NCBPDSPIVAMJIT-UHFFFAOYSA-N
BMGC_DG02144,BMG_DG017688,,c1(ccc(C(CCl)=O)cc1)F,,UJZWJOQRSMOFMA-UHFFFAOYSA-N
BMGC_DG02145,BMG_DG017692,,c1(ncc(Cn2c(sc(c2C)CCO)=O)c(n1)N)C,,VXCONGLPCAPYEU-UHFFFAOYSA-N
BMGC_DG02146,BMG_DG017714,CC(=O)N[C@@H](CS)C(=O)O,[C@H](C(O)=O)(NC(=O)C)CS,"InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1",PWKSKIMOESPYIA-BYPYZUCNSA-N
BMGC_DG02147,BMG_DG017717,,C(c1cc(OC)c(cc1)O)(=O)OCC,,MWAYRGBWOVHDDZ-UHFFFAOYSA-N
BMGC_DG02148,BMG_DG017720,C1CC2C(CC1N2)C3=CN=C(C=C3)Cl,,"InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2",NLPRAJRHRHZCQQ-UHFFFAOYSA-N
BMGC_DG02149,BMG_DG017725,CCOC(=O)C(=O)C,CC(=O)C(=O)OCC,"InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3",XXRCUYVCPSWGCC-UHFFFAOYSA-N
BMGC_DG02150,BMG_DG017748,,S1\C(=C\c2oc(-c3ccc(F)cc3)cc2)\C(=O)NC1=O,,UFBTYTGRUBUUIL-KPKJPENVSA-N
BMGC_DG02151,BMG_DG017761,,N(CC)(CC)C#N,,ZZTSQZQUWBFTAT-UHFFFAOYSA-N
BMGC_DG02152,BMG_DG017784,,S(=O)(O)c1ccccc1,,JEHKKBHWRAXMCH-UHFFFAOYSA-N
BMGC_DG02153,BMG_DG017791,CC(CC1=CC=CC=C1)NC,N(C(Cc1ccccc1)C)C,"InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3",MYWUZJCMWCOHBA-UHFFFAOYSA-N
BMGC_DG02154,BMG_DG017798,,c1c(c(cc(c1OC)CCN)OC)SCCCC,,LGUVDOBGXUFUAJ-UHFFFAOYSA-N
BMGC_DG02155,BMG_DG017820,CC(=CCC1=C(C=CC2=C1O/C(=C\C3=CC(=C(C=C3)O)O)/C2=O)O)C,,"InChI=1S/C20H18O5/c1-11(2)3-5-13-15(21)8-6-14-19(24)18(25-20(13)14)10-12-4-7-16(22)17(23)9-12/h3-4,6-10,21-23H,5H2,1-2H3/b18-10-",GKIZWUHTCYQZHL-ZDLGFXPLSA-N
BMGC_DG02156,BMG_DG017859,C[C@H](CO)NC1=NC(=NC2=C1SC(=O)N2)SCC3=C(C(=CC=C3)F)F,N([C@@H](CO)C)c1c2c(nc(SCc3c(F)c(F)ccc3)n1)[nH]c(=O)s2,"InChI=1S/C15H14F2N4O2S2/c1-7(5-22)18-12-11-13(21-15(23)25-11)20-14(19-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,22H,5-6H2,1H3,(H2,18,19,20,21,23)/t7-/m1/s1",SRHSMXLXWORYJK-SSDOTTSWSA-N
BMGC_DG02157,BMG_DG017880,,[C@H](Oc1cc(C(F)(F)F)ccc1)(C(O)=O)c2ccc(Cl)cc2,,DDTQLPXXNHLBAB-CYBMUJFWSA-N
BMGC_DG02158,BMG_DG017881,,[C@@H](Oc1cc(C(F)(F)F)ccc1)(C(O)=O)c2ccc(Cl)cc2,,DDTQLPXXNHLBAB-ZDUSSCGKSA-N
BMGC_DG02159,BMG_DG017882,CC(=O)NCCOC(=O)[C@@H](C1=CC=C(C=C1)Cl)OC2=CC=CC(=C2)C(F)(F)F,C(c1cc(O[C@@H](C(=O)OCCNC(=O)C)c2ccc(cc2)Cl)ccc1)(F)(F)F,"InChI=1S/C19H17ClF3NO4/c1-12(25)24-9-10-27-18(26)17(13-5-7-15(20)8-6-13)28-16-4-2-3-14(11-16)19(21,22)23/h2-8,11,17H,9-10H2,1H3,(H,24,25)/t17-/m1/s1",BJBCSGQLZQGGIQ-QGZVFWFLSA-N
BMGC_DG02160,BMG_DG017883,C/C(=C\COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/CC[C@H](C(C)(C)O)O,c1(ccc2c(o1)cc3c(c2OC/C=C(/CC[C@H](C(C)(C)O)O)\C)cco3)=O,"InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8+/t18-/m1/s1",IXZUPBUEKFXTSD-INMULRNOSA-N
BMGC_DG02161,BMG_DG017893,CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C4=O)C(=O)OC)C)C.[Mg+2],[Mg+2].C1(=O)[C@H](C(OC)=O)c2c3nc(cc4[n-]c(cc5nc(cc6[n-]c2c1c6C)C(CC)=C5C)c(C=C)c4C)[C@@H](C)[C@@H]3CCC(OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=O,"InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1",ATNHDLDRLWWWCB-AENOIHSZSA-M
BMGC_DG02162,BMG_DG017910,,C(c1ccc(cc1)N(C)C)(=O)O,,YDIYEOMDOWUDTJ-UHFFFAOYSA-N
BMGC_DG02163,BMG_DG017948,,,,
BMGC_DG02164,BMG_DG017962,C1=CC(=CC=C1C2=C(C=NN2)C3=CC=NC=C3)F,,"InChI=1S/C14H10FN3/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H,17,18)",BILJSHVAAVZERY-UHFFFAOYSA-N
BMGC_DG02165,BMG_DG017977,C1=CC(=CC=C1CC2=CC=C(C=C2)O)O,c1(Cc2ccc(cc2)O)ccc(cc1)O,"InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2",PXKLMJQFEQBVLD-UHFFFAOYSA-N
BMGC_DG02166,BMG_DG017987,CC(=O)N[C@@H](CS)C(=O)[O-].CC(=O)N[C@@H](CS)C(=O)[O-].[Zn+2],[Zn+2].[C@H](C([O-])=O)(NC(=O)C)CS.[C@H](C([O-])=O)(NC(=O)C)CS,"InChI=1S/2C5H9NO3S.Zn/c2*1-3(7)6-4(2-10)5(8)9;/h2*4,10H,2H2,1H3,(H,6,7)(H,8,9);/q;;+2/p-2/t2*4-;/m00./s1",KNVKDNCWDNRTOE-SCGRZTRASA-L
BMGC_DG02167,BMG_DG017993,C1=CC=C(C=C1)CS(=O)CC2=CC=CC=C2,c1ccc(C[S+]([O-])Cc2ccccc2)cc1,"InChI=1S/C14H14OS/c15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2",HTMQZWFSTJVJEQ-UHFFFAOYSA-N
BMGC_DG02168,BMG_DG017996,,CC(C)(C)c1ccc2[nH]c3ccccc3c2c1,,TYXSZNGDCCGIBO-UHFFFAOYSA-N
BMGC_DG02169,BMG_DG017999,,O=c1c2c(oc(c1)-c3ccccc3)cc(OCCN(C)C)cc2,,SMIVWJCBSIJRRL-UHFFFAOYSA-N
BMGC_DG02170,BMG_DG018009,,C1CNC[C@](O1)([C@@H](Oc2ccccc2OC)c3ccccc3)[H],,MZGJHBJKODTIQM-ROUUACIJSA-N
BMGC_DG02171,BMG_DG018115,CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C2=NN(C3=NC=NC(=C23)N)CCN4CCC(CC4)N(C)C)OC,,"InChI=1S/C26H38N8O3/c1-26(2,3)37-25(35)30-19-8-7-17(15-20(19)36-6)22-21-23(27)28-16-29-24(21)34(31-22)14-13-33-11-9-18(10-12-33)32(4)5/h7-8,15-16,18H,9-14H2,1-6H3,(H,30,35)(H2,27,28,29)",GMPQGWXPDRNCBL-UHFFFAOYSA-N
BMGC_DG02172,BMG_DG018146,CC(=O)NC1=CC(=CC=C1)O,C(Nc1cc(O)ccc1)(=O)C,"InChI=1S/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10)",QLNWXBAGRTUKKI-UHFFFAOYSA-N
BMGC_DG02173,BMG_DG018147,CC(C)[C@@H]([C@@H](C1=CC=CC=C1)OC2=CC3=C(C=C2)N(N=C3)C4=CN(C(=O)C=C4)C)NC(=O)C(C)(F)F,O([C@@H]([C@@H](NC(C(C)(F)F)=O)C(C)C)c1ccccc1)c2cc3c(cc2)n(nc3)-c4cn(C)c(cc4)=O,"InChI=1S/C27H28F2N4O3/c1-17(2)24(31-26(35)27(3,28)29)25(18-8-6-5-7-9-18)36-21-11-12-22-19(14-21)15-30-33(22)20-10-13-23(34)32(4)16-20/h5-17,24-25H,1-4H3,(H,31,35)/t24-,25+/m0/s1",ZQFNDBISEYQVRR-LOSJGSFVSA-N
BMGC_DG02174,BMG_DG018160,CN(C)CC1=CN(N=C1C2=CC=CC=C2)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N5CCOCC5)OC,c1c(c(nn1-c2ccnc(Nc3cc(NC(=O)C=C)c(N4CCOCC4)cc3OC)n2)-c5ccccc5)CN(C)C,"InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34)",RRMJMHOQSALEJJ-UHFFFAOYSA-N
BMGC_DG02175,BMG_DG018161,COC1=C(C=C(C=C1)C=O)O,C(c1ccc(OC)c(O)c1)=O,"InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3",JVTZFYYHCGSXJV-UHFFFAOYSA-N
BMGC_DG02176,BMG_DG018167,CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C5CC5)OC,C=CC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2nccc(-c3cn(C4CC4)c5ccccc35)n2,"InChI=1S/C30H35N7O2/c1-6-29(38)32-24-17-25(28(39-5)18-27(24)36(4)16-15-35(2)3)34-30-31-14-13-23(33-30)22-19-37(20-11-12-20)26-10-8-7-9-21(22)26/h6-10,13-14,17-20H,1,11-12,15-16H2,2-5H3,(H,32,38)(H,31,33,34)",DOEOECWDNSEFDN-UHFFFAOYSA-N
BMGC_DG02177,BMG_DG018174,C[C@](CC1=CC(=C(C=C1)OP(=O)(O)O)O)(C(=O)O)NN,c1(cc(ccc1OP(O)(O)=O)C[C@@](C(O)=O)(NN)C)O,"InChI=1S/C10H15N2O7P/c1-10(12-11,9(14)15)5-6-2-3-8(7(13)4-6)19-20(16,17)18/h2-4,12-13H,5,11H2,1H3,(H,14,15)(H2,16,17,18)/t10-/m0/s1",PQUZXFMHVSMUNG-JTQLQIEISA-N
BMGC_DG02178,BMG_DG018177,CC#CC(=O)N[C@H]1CCCN(C1)C2=C(C=C(C3=C2C(=C(N3)C)C)C(=O)N)F,c12c(c(c(cc1C(=O)N)F)N3C[C@H](CCC3)NC(C#CC)=O)c(c([nH]2)C)C,"InChI=1S/C20H23FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/t13-/m0/s1",VJPPLCNBDLZIFG-ZDUSSCGKSA-N
BMGC_DG02179,BMG_DG018185,C1CC1(C2=CC3=C(C=C2)OC(O3)(F)F)C(=O)N[C@@H]4C[C@@H](OC5=C4C=CC(=C5)OC(F)F)C6=CC=C(C=C6)C(=O)O,C(C1(c2ccc3OC(F)(F)Oc3c2)CC1)(=O)N[C@@H]4C[C@H](c5ccc(C(=O)O)cc5)Oc6cc(OC(F)F)ccc64,"InChI=1S/C28H21F4NO7/c29-26(30)37-17-6-7-18-19(13-21(38-22(18)12-17)14-1-3-15(4-2-14)24(34)35)33-25(36)27(9-10-27)16-5-8-20-23(11-16)40-28(31,32)39-20/h1-8,11-12,19,21,26H,9-10,13H2,(H,33,36)(H,34,35)/t19-,21-/m1/s1",QVDYQHXNAQHIKH-TZIWHRDSSA-N
BMGC_DG02180,BMG_DG018187,C[C@@H]1CCCN1C(=O)C2=C(SC(=N2)C(=O)NCC(C)(C)O)C3=C(C(=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)Cl)Cl,,"InChI=1S/C23H23Cl2F6N3O4S/c1-10-5-4-8-34(10)19(36)15-16(39-18(33-15)17(35)32-9-20(2,3)37)11-6-7-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h6-7,10,37-38H,4-5,8-9H2,1-3H3,(H,32,35)/t10-/m1/s1",ZQHVEGQHOKDZEN-SNVBAGLBSA-N
BMGC_DG02181,BMG_DG018188,CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4,[C@@H]1(O[C@]([C@@H]([C@@H]1O)O)(c2n3c(cc2)c(ncn3)N)C#N)CO[P@](N[C@H](C(OCC(CC)CC)=O)C)(=O)Oc4ccccc4,"InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1",RWWYLEGWBNMMLJ-YSOARWBDSA-N
BMGC_DG02182,BMG_DG018203,C[C@H](C1CCC(CC1)C2=C3C=C(C=CC3=NC=C2)F)NC(=O)C4=CC=C(C=C4)Cl,,"InChI=1S/C24H24ClFN2O/c1-15(28-24(29)18-6-8-19(25)9-7-18)16-2-4-17(5-3-16)21-12-13-27-23-11-10-20(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16?,17?/m1/s1",AOJCHFNHRLPISK-KLAILNCOSA-N
BMGC_DG02183,BMG_DG018204,C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2,c1([nH]c2ccccc2n1)Cc3ccccc3,"InChI=1S/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)",YTLQFZVCLXFFRK-UHFFFAOYSA-N
BMGC_DG02184,BMG_DG018205,,[C@]12([C@]([C@@]3([C@@H]([C@@H]([C@]4([C@@](CC[C@@H](O)C4)(C)[C@]3(CC1)[H])[H])CC)O)[H])(CC[C@@]2([C@@H](CCC(=O)NCC(O)=O)C)[H])[H])C,,MTLPUOZJBFHNSO-FCWTVGIUSA-N
BMGC_DG02185,BMG_DG018207,C[C@H](C1CCC(CC1)C2=C3C=C(C=CC3=NC=C2)F)C(=O)NC4=CC=C(C=C4)Cl,c1c(c2c(nc1)ccc(c2)F)[C@]3(CC[C@](CC3)([C@H](C(Nc4ccc(cc4)Cl)=O)C)[H])[H],"InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16?,17?/m1/s1",KRTIYQIPSAGSBP-ZACQAIPSSA-N;KRTIYQIPSAGSBP-KLAILNCOSA-N
BMGC_DG02186,BMG_DG018217,C[C@@H]1C[C@](CCN1CC2=C(C(=CC=C2)Cl)F)(CC3=C(C=CC(=N3)NC4=NNC(=C4)C)F)C(=O)O,N1([C@@H](C[C@@](CC1)(C(=O)O)Cc2c(ccc(n2)Nc3n[nH]c(c3)C)F)C)Cc4c(c(ccc4)Cl)F,"InChI=1S/C24H26ClF2N5O2/c1-14-10-21(31-30-14)29-20-7-6-18(26)19(28-20)12-24(23(33)34)8-9-32(15(2)11-24)13-16-4-3-5-17(25)22(16)27/h3-7,10,15H,8-9,11-13H2,1-2H3,(H,33,34)(H2,28,29,30,31)/t15-,24-/m1/s1",YQQZZYYQTCPEAS-OYLFLEFRSA-N
BMGC_DG02187,BMG_DG018221,C1CC2COCC1N2C3=NC(=NC(=N3)C4=CN=C(C=C4C(F)F)N)N5C6CCC5COC6,,"InChI=1S/C21H25F2N7O2/c22-18(23)15-5-17(24)25-6-16(15)19-26-20(29-11-1-2-12(29)8-31-7-11)28-21(27-19)30-13-3-4-14(30)10-32-9-13/h5-6,11-14,18H,1-4,7-10H2,(H2,24,25)",UGDKPWVVBKHRDK-UHFFFAOYSA-N
BMGC_DG02188,BMG_DG018238,C[C@H](C1=C(C=CC(=C1)Cl)CN2C3=C(C(=O)NC2=S)NC=C3)N,c1(n(c2c(c([nH]1)=O)[nH]cc2)Cc3c(cc(cc3)Cl)[C@@H](C)N)=S,"InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1",BHKKSKOHRFHHIN-MRVPVSSYSA-N
BMGC_DG02189,BMG_DG018240,CC(C)(C1=CC2=NN(C=C2C=C1NC(=O)C3=NC(=CC=C3)C(F)(F)F)CCS(=O)(=O)C)O,c1ccc(nc1C(F)(F)F)C(Nc2c(cc3c(c2)cn(n3)CCS(=O)(=O)C)C(C)(C)O)=O,"InChI=1S/C20H21F3N4O4S/c1-19(2,29)13-10-15-12(11-27(26-15)7-8-32(3,30)31)9-16(13)25-18(28)14-5-4-6-17(24-14)20(21,22)23/h4-6,9-11,29H,7-8H2,1-3H3,(H,25,28)",OQAMEEFUUFJZRS-UHFFFAOYSA-N
BMGC_DG02190,BMG_DG018241,CC(C)(CCN1C=C2C=C(C(=CC2=N1)C(C)(C)O)NC(=O)C3=NC(=CC=C3)C(F)(F)F)O,,"InChI=1S/C22H25F3N4O3/c1-20(2,31)8-9-29-12-13-10-17(14(21(3,4)32)11-16(13)28-29)27-19(30)15-6-5-7-18(26-15)22(23,24)25/h5-7,10-12,31-32H,8-9H2,1-4H3,(H,27,30)",NWFPCWIBSBZRGV-UHFFFAOYSA-N
BMGC_DG02191,BMG_DG018242,COCC1=NN(C=C1C(=O)NCC2=NC=CC(=C2F)OC)CC3=CC=C(C=C3)CN4C=CC=CC4=O,C(NCc1c(F)c(OC)ccn1)(=O)c2c(COC)nn(c2)Cc3ccc(cc3)Cn4c(=O)cccc4,"InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34)",KGMPDQIYDKKXRD-UHFFFAOYSA-N
BMGC_DG02192,BMG_DG018244,C1=CC(=CN=C1)/C=C/C(=O)NCC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)F)N,C(c1ccc(cc1)CNC(/C=C/c2cnccc2)=O)(=O)Nc3c(cc(cc3)F)N,"InChI=1S/C22H19FN4O2/c23-18-8-9-20(19(24)12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+",SZMJVTADHFNAIS-BJMVGYQFSA-N
BMGC_DG02193,BMG_DG018263,C(CC(=O)O)[C@@H](C(=O)O)NC(=O)N,OC(=O)CC[C@H](NC(N)=O)C(O)=O,"InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1",LCQLHJZYVOQKHU-VKHMYHEASA-N
BMGC_DG02194,BMG_DG018264,CC1=CN=C(S1)C2=CC(=CC(=C2)O[C@@H]3CCOC3)C(=O)N[C@H](C)C4=CN=C(N=C4)C(F)(F)F,FC(c1ncc(cn1)[C@H](NC(c2cc(cc(c2)O[C@H]3COCC3)-c4sc(C)cn4)=O)C)(F)F,"InChI=1S/C22H21F3N4O3S/c1-12-8-26-20(33-12)15-5-14(6-18(7-15)32-17-3-4-31-11-17)19(30)29-13(2)16-9-27-21(28-10-16)22(23,24)25/h5-10,13,17H,3-4,11H2,1-2H3,(H,29,30)/t13-,17-/m1/s1",GTQPEQGDLVSFJO-CXAGYDPISA-N
BMGC_DG02195,BMG_DG018265,CC1=CN=C(S1)C2=CC(=CC(=C2)OC[C@H]3CN(CCO3)C)C(=O)N[C@H](C)C4=CN=C(N=C4)C(F)(F)F,[C@@H](c1cnc(nc1)C(F)(F)F)(NC(=O)c2cc(cc(OC[C@H]3CN(CCO3)C)c2)-c4sc(C)cn4)C,"InChI=1S/C24H26F3N5O3S/c1-14-9-28-22(36-14)17-6-16(7-19(8-17)35-13-20-12-32(3)4-5-34-20)21(33)31-15(2)18-10-29-23(30-11-18)24(25,26)27/h6-11,15,20H,4-5,12-13H2,1-3H3,(H,31,33)/t15-,20-/m1/s1",MROBUJILSMBILX-FOIQADDNSA-N
BMGC_DG02196,BMG_DG018268,CC1(C2=C(C=C(S2)C3=NC(=NC=C3)NC4=CC=NN4C)C(=O)N1CCN5CCOCC5)C,O=C1c2c(C(N1CCN3CCOCC3)(C)C)sc(c2)-c4nc(Nc5n(C)ncc5)ncc4,"InChI=1S/C22H27N7O2S/c1-22(2)19-15(20(30)29(22)9-8-28-10-12-31-13-11-28)14-17(32-19)16-4-6-23-21(25-16)26-18-5-7-24-27(18)3/h4-7,14H,8-13H2,1-3H3,(H,23,25,26)",JNPRPMBJODOFEC-UHFFFAOYSA-N
BMGC_DG02197,BMG_DG018271,C[C@@H]1CC2=C([C@H](N1CC(CO)(F)F)C3=C(C=C(C=C3F)NC4CN(C4)CCCF)F)NC5=CC=CC=C25,C(C(CN1[C@@H](Cc2c([nH]c3ccccc23)[C@H]1c4c(cc(cc4F)NC5CN(C5)CCCF)F)C)(F)F)O,"InChI=1S/C27H31F5N4O/c1-16-9-20-19-5-2-3-6-23(19)34-25(20)26(36(16)14-27(31,32)15-37)24-21(29)10-17(11-22(24)30)33-18-12-35(13-18)8-4-7-28/h2-3,5-6,10-11,16,18,26,33-34,37H,4,7-9,12-15H2,1H3/t16-,26-/m1/s1",GQCXHIKRWBIQMD-AKJBCIBTSA-N
BMGC_DG02198,BMG_DG018272,CC1=C(C=CC=N1)C2=CN=C(N3C2=NN=C3)NCC4=C(C=CC5=C4CCO5)F,c1(c(cccn1)-c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F)C,"InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24)",XLIBABIFOBYHSV-UHFFFAOYSA-N
BMGC_DG02199,BMG_DG018273,,n1c(c2n(cc1)c(nc2-c3ccc(cc3)C(Nc4ccccn4)=O)[C@@H]5N(CCC5)C(C#CC)=O)N,,WDENQIQQYWYTPO-LJQANCHMSA-N
BMGC_DG02200,BMG_DG018274,,Cc1c2cc(oc2c(cc1)C)-c3nc(no3)-c4ccc(cc4)C(=O)O,,AVCXUODHLRZJJP-UHFFFAOYSA-N
BMGC_DG02201,BMG_DG018275,C[C@H](C1=CC=CC=N1)OC2=C(C=C3C(=C2)ON=C3CCC(=O)O)Cl,Clc1c(O[C@@H](c2ncccc2)C)cc3onc(c3c1)CCC(O)=O,"InChI=1S/C17H15ClN2O4/c1-10(13-4-2-3-7-19-13)23-16-9-15-11(8-12(16)18)14(20-24-15)5-6-17(21)22/h2-4,7-10H,5-6H2,1H3,(H,21,22)/t10-/m1/s1",WPAHVUADNLXSOM-SNVBAGLBSA-N
BMGC_DG02202,BMG_DG018277,C1C[C@H]2CC(C[C@@H]1N2C3=NC4=C(C=C(C=C4S3)C(=O)O)F)OCC5=C(ON=C5C6=CC=CC=C6OC(F)(F)F)C7CC7,O(Cc1c(noc1C2CC2)-c3c(OC(F)(F)F)cccc3)[C@@H]4C[C@H]5N([C@@H](C4)CC5)c6nc7c(s6)cc(cc7F)C(O)=O,"InChI=1S/C29H25F4N3O5S/c30-21-9-15(27(37)38)10-23-25(21)34-28(42-23)36-16-7-8-17(36)12-18(11-16)39-13-20-24(35-41-26(20)14-5-6-14)19-3-1-2-4-22(19)40-29(31,32)33/h1-4,9-10,14,16-18H,5-8,11-13H2,(H,37,38)/t16-,17+,18?",VYLOOGHLKSNNEK-JWTNVVGKSA-N;VYLOOGHLKSNNEK-PIIMJCKOSA-N
BMGC_DG02203,BMG_DG018281,,N(C(OC[C@H]1CN(CC1)C)=O)c2c(cccc2)-c3cc(Cl)c(cc3)F,,SYBGVVSJNMTWCI-CYBMUJFWSA-N
BMGC_DG02204,BMG_DG018283,C1CCC(C1)[C@@H](CC#N)N2C=C(C(=N2)N)C3=C4C=CNC4=NC=N3,Nc1c(-c2c3c([nH]cc3)ncn2)cn([C@H](CC#N)C4CCCC4)n1,"InChI=1S/C17H19N7/c18-7-5-14(11-3-1-2-4-11)24-9-13(16(19)23-24)15-12-6-8-20-17(12)22-10-21-15/h6,8-11,14H,1-5H2,(H2,19,23)(H,20,21,22)/t14-/m1/s1",ZGENDZDSLYKCSI-CQSZACIVSA-N
BMGC_DG02205,BMG_DG018288,CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCNC(=O)NS(=O)(=O)C5=CC=C(C=C5)C(C)(C)C)C)C)O,,"InChI=1S/C36H58N2O5S/c1-8-26-30-21-24(39)15-18-36(30,7)29-16-19-35(6)27(13-14-28(35)31(29)32(26)40)22(2)17-20-37-33(41)38-44(42,43)25-11-9-23(10-12-25)34(3,4)5/h9-12,22,24,26-32,39-40H,8,13-21H2,1-7H3,(H2,37,38,41)/t22-,24-,26-,27-,28+,29+,30+,31+,32-,35-,36-/m1/s1",SJKLCUGQVVYDCX-HRNVLBFRSA-N
BMGC_DG02206,BMG_DG018299,CC1(C2=C(CN1C(=O)N[C@H](CN(C)C)C3=CC=CC=C3)C(=NN2)NC(=O)C4=CC=C(C=C4)NC(=O)C=C)C,,"InChI=1S/C28H33N7O3/c1-6-23(36)29-20-14-12-19(13-15-20)26(37)31-25-21-16-35(28(2,3)24(21)32-33-25)27(38)30-22(17-34(4)5)18-10-8-7-9-11-18/h6-15,22H,1,16-17H2,2-5H3,(H,29,36)(H,30,38)(H2,31,32,33,37)/t22-/m1/s1",KPABJHHKKJIDGX-JOCHJYFZSA-N
BMGC_DG02207,BMG_DG018302,C[C@H]1CN(CCN1C2=CC(=CC(=C2)F)F)C(=O)CC[C@@]3(C(=O)NC(=O)N3)C4CC4,C1(NC([C@](N1)(CCC(=O)N2C[C@@H](N(CC2)c3cc(cc(c3)F)F)C)C4CC4)=O)=O,"InChI=1S/C20H24F2N4O3/c1-12-11-25(6-7-26(12)16-9-14(21)8-15(22)10-16)17(27)4-5-20(13-2-3-13)18(28)23-19(29)24-20/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1",CMLVKUWQFZQPPS-YUNKPMOVSA-N
BMGC_DG02208,BMG_DG018304,,C(C)c1c2c([nH]c1C(NCCc3ccc(cc3)N4CCCCC4)=O)ccc(N=C=S)c2,,YIYLMDVRSNXYOT-UHFFFAOYSA-N
BMGC_DG02209,BMG_DG018319,CC(C)NC(=O)C1=CC2=C(C=C1)OCC[C@]23C[C@H]3C(=O)NC4=C(C=CC(=C4)C#N)CCCC(=O)O,C(CCCc1c(cc(cc1)C#N)NC(=O)[C@H]2[C@]3(c4cc(C(=O)NC(C)C)ccc4OCC3)C2)(=O)O,"InChI=1S/C27H29N3O5/c1-16(2)29-25(33)19-8-9-23-20(13-19)27(10-11-35-23)14-21(27)26(34)30-22-12-17(15-28)6-7-18(22)4-3-5-24(31)32/h6-9,12-13,16,21H,3-5,10-11,14H2,1-2H3,(H,29,33)(H,30,34)(H,31,32)/t21-,27-/m0/s1",QSRLBYGDVFRMPT-IDISGSTGSA-N
BMGC_DG02210,BMG_DG018327,CC1=NN(C=N1)CC(=O)N2CCN(C[C@H]2CCO)C3=C(N=C(S3)C(F)(F)F)C4=CN=C(N=C4)C(F)(F)F,n1c(C(F)(F)F)sc(c1-c2cnc(nc2)C(F)(F)F)N3CCN(C(Cn4cnc(C)n4)=O)[C@@H](C3)CCO,"InChI=1S/C20H20F6N8O2S/c1-11-29-10-33(31-11)9-14(36)34-4-3-32(8-13(34)2-5-35)16-15(30-18(37-16)20(24,25)26)12-6-27-17(28-7-12)19(21,22)23/h6-7,10,13,35H,2-5,8-9H2,1H3/t13-/m1/s1",FDZFVXKCJKOSRC-CYBMUJFWSA-N
BMGC_DG02211,BMG_DG018328,,c1(ccc(c(c1)NC(NC(c2c(cc(c(c2)F)F)Cl)=O)=O)N3CCC(CC3)C(O)=O)F,,KAJJGOCSAXKXBD-UHFFFAOYSA-N
BMGC_DG02212,BMG_DG018362,COC1=C(C=CC(=C1)F)C2=NC(=NC=N2)NC3=CC=CC(=C3)C[S@](=N)(=O)C,c1c(F)ccc(-c2nc(Nc3cc(C[S@@](C)(=O)=N)ccc3)ncn2)c1OC,"InChI=1S/C18H18FN5O2S/c1-26-16-9-13(19)6-7-15(16)17-21-11-22-18(24-17)23-14-5-3-4-12(8-14)10-27(2,20)25/h3-9,11,20H,10H2,1-2H3,(H,21,22,23,24)/t27-/m1/s1",ACWKGTGIJRCOOM-HHHXNRCGSA-N
BMGC_DG02213,BMG_DG018365,C(CCNC(=O)CCC(=O)NCCOCCNC(=O)CCC(=O)NCCCC[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N,,"InChI=1S/C24H44N6O9/c25-17(23(35)36)5-1-3-11-27-19(31)7-9-21(33)29-13-15-39-16-14-30-22(34)10-8-20(32)28-12-4-2-6-18(26)24(37)38/h17-18H,1-16,25-26H2,(H,27,31)(H,28,32)(H,29,33)(H,30,34)(H,35,36)(H,37,38)/t17-,18-/m0/s1",CQPWQUAJPPFCDP-ROUUACIJSA-N
BMGC_DG02214,BMG_DG018369,COCCOC(=O)NCCCC[C@@H](C(=O)O)N,,"InChI=1S/C10H20N2O5/c1-16-6-7-17-10(15)12-5-3-2-4-8(11)9(13)14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1",XNGDIOBPVDBNQH-QMMMGPOBSA-N
BMGC_DG02215,BMG_DG018420,CNC[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O,[C@@]1([C@@H](CNC)CCCC1)(c2cc(OC)ccc2)O,"InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,17)12-7-5-8-14(10-12)18-2/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1",VUMQHLSPUAFKKK-HIFRSBDPSA-N
BMGC_DG02216,BMG_DG018476,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)([O-])O[C@H]3C[C@@H](O[C@@H]3COP(=S)([O-])O[C@H]4C[C@@H](O[C@@H]4COP(=S)([O-])O[C@@H]5[C@H](O[C@H]([C@@H]5OCCOC)N6C=NC7=C6N=C(NC7=O)N)COP(=S)([O-])O[C@@H]8[C@H](O[C@H]([C@@H]8OCCOC)N9C=C(C(=O)NC9=O)C)COP(=S)([O-])O[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=C(C(=O)NC1=O)C)COP(=O)(O[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=C(C(=NC1=O)N)C)COP(=S)([O-])O[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=C(C(=O)NC1=O)C)CO)[S-])N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C(N=CN=C21)N)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=NC1=O)N)C)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C(N=CN=C21)N)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C(N=CN=C21)N)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C(N=CN=C21)N)OP(=S)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C(N=CN=C21)N)OCCOC)OP(=S)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C(C(=O)NC1=O)C)OCCOC)OP(=S)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C(C(=NC1=O)N)C)OCCOC)OP(=S)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C(C(=NC1=O)N)C)OCCOC)OP(=S)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C(C(=NC1=O)N)C)OCCOC)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],,"InChI=1S/C230H318N69O121P19S19.19Na/c1-98-53-280(219(312)262-178(98)231)140-43-110(121(382-140)66-364-425(328,444)406-114-47-144(292-90-254-150-183(236)244-85-249-188(150)292)387-126(114)71-368-423(326,442)404-112-45-142(282-59-104(7)197(303)274-225(282)318)383-122(112)67-363-421(324,440)403-111-44-141(281-58-103(6)196(302)273-224(281)317)385-124(111)69-366-427(330,446)410-119-52-149(297-95-260-156-194(297)268-217(242)271-204(156)310)391-130(119)75-372-431(334,450)419-167-139(401-215(177(167)362-42-32-352-22)299-97-261-157-195(299)269-218(243)272-205(157)311)84-381-438(341,457)418-165-136(398-213(175(165)360-40-30-350-20)291-64-109(12)202(308)279-230(291)323)82-379-437(340,456)417-163-135(397-211(173(163)358-38-28-348-18)289-62-107(10)200(306)277-228(289)321)81-378-435(338,454)414-161-132(394-209(171(161)356-36-26-346-16)286-56-101(4)181(234)265-222(286)315)78-375-433(336,452)412-159-120(65-300)392-207(169(159)354-34-24-344-14)288-61-106(9)199(305)276-227(288)320)402-422(325,441)367-70-125-115(48-145(386-125)293-91-255-151-184(237)245-86-250-189(151)293)407-426(329,445)365-68-123-113(46-143(384-123)283-60-105(8)198(304)275-226(283)319)405-424(327,443)371-74-129-118(51-148(390-129)296-94-259-155-193(296)267-216(241)270-203(155)309)409-429(332,448)370-72-127-116(49-146(388-127)294-92-256-152-185(238)246-87-251-190(152)294)408-428(331,447)369-73-128-117(50-147(389-128)295-93-257-153-186(239)247-88-252-191(153)295)411-430(333,449)374-77-138-166(176(361-41-31-351-21)214(400-138)298-96-258-154-187(240)248-89-253-192(154)298)420-439(342,458)380-83-137-164(174(359-39-29-349-19)212(399-137)290-63-108(11)201(307)278-229(290)322)416-436(339,455)377-80-134-162(172(357-37-27-347-17)210(396-134)287-57-102(5)182(235)266-223(287)316)415-434(337,453)376-79-133-160(170(355-35-25-345-15)208(395-133)285-55-100(3)180(233)264-221(285)314)413-432(335,451)373-76-131-158(301)168(353-33-23-343-13)206(393-131)284-54-99(2)179(232)263-220(284)313;;;;;;;;;;;;;;;;;;;/h53-64,85-97,110-149,158-177,206-215,300-301H,23-52,65-84H2,1-22H3,(H,324,440)(H,325,441)(H,326,442)(H,327,443)(H,328,444)(H,329,445)(H,330,446)(H,331,447)(H,332,448)(H,333,449)(H,334,450)(H,335,451)(H,336,452)(H,337,453)(H,338,454)(H,339,455)(H,340,456)(H,341,457)(H,342,458)(H2,231,262,312)(H2,232,263,313)(H2,233,264,314)(H2,234,265,315)(H2,235,266,316)(H2,236,244,249)(H2,237,245,250)(H2,238,246,251)(H2,239,247,252)(H2,240,248,253)(H,273,302,317)(H,274,303,318)(H,275,304,319)(H,276,305,320)(H,277,306,321)(H,278,307,322)(H,279,308,323)(H3,241,267,270,309)(H3,242,268,271,310)(H3,243,269,272,311);;;;;;;;;;;;;;;;;;;/q;19*+1/p-19/t110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,206+,207+,208+,209+,210+,211+,212+,213+,214+,215+,421?,422?,423?,424?,425?,426?,427?,428?,429?,430?,431?,432?,433?,434?,435?,436?,437?,438?,439?;;;;;;;;;;;;;;;;;;;/m0.................../s1",QHNLHIXTRPKKQN-QKZXOKHWSA-A
BMGC_DG02217,BMG_DG018507,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])COS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Al],[Al](O)(O)O.O.O=S(O[Al](O)O)(=O)O[C@@H]1[C@H](O[C@](O[C@@]2([H])O[C@H](COS(O[Al](O)O)(=O)=O)[C@@H](OS(=O)(O[Al](O)O)=O)[C@H](OS(=O)(O[Al](O)O)=O)[C@H]2OS(=O)(O[Al](O)O)=O)(COS(=O)(O[Al](O)O)=O)[C@H]1OS(=O)(O[Al](O)O)=O)COS(=O)(O[Al](O)O)=O,"InChI=1S/C12H22O35S8.9Al.20H2O/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;;;;;;;20*1H2/q;;8*+1;;;;;;;;;;;;;;;;;;;;/p-8/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1............................./s1",IPLJAZDIICJQEL-JTJNLBSYSA-A;YZPQNHUVIVIUCT-JTJNLBSYSA-F
BMGC_DG02218,BMG_DG018539,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=S)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=S)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5OCCOC)N6C=C(C(=O)NC6=O)C)COP(=S)(O)O[C@@H]7[C@H](O[C@H]([C@@H]7OCCOC)N8C=C(C(=O)NC8=O)C)COP(=S)(O)O[C@@H]9[C@H](O[C@H]([C@@H]9OCCOC)N1C=C(C(=NC1=O)N)C)COP(=S)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=NC2=C1N=C(NC2=O)N)COP(=S)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=NC2=C(N=CN=C21)N)CO)N1C=C(C(=NC1=O)N)C)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=NC1=O)N)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=NC1=O)N)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=NC1=O)N)C)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C(C(=O)NC1=O)C)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C(C(=O)NC1=O)C)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C(C(=O)NC1=O)C)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C(N=CN=C21)N)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C(C(=O)NC1=O)C)OCCOC)O,,"InChI=1S/C230H320N63O125P19S19/c1-98-55-274(217(308)254-178(98)231)142-45-112(400-419(322,438)361-70-124-113(46-143(381-124)275-56-99(2)179(232)255-218(275)309)401-423(326,442)367-76-130-119(52-149(387-130)288-92-248-152-183(236)242-89-245-186(152)288)407-427(330,446)369-78-132-121(54-151(389-132)290-94-252-156-190(290)260-215(240)263-202(156)306)408-425(328,444)365-72-125-114(47-144(382-125)276-57-100(3)180(233)256-219(276)310)406-428(331,447)372-81-134-160(171(354-38-28-344-18)206(393-134)283-64-107(10)196(300)269-226(283)317)412-432(335,451)375-84-137-163(173(356-40-30-346-20)208(395-137)285-66-109(12)198(302)271-228(285)319)415-435(338,454)377-86-139-165(175(358-42-32-348-22)210(397-139)287-68-111(14)200(304)273-230(287)321)416-436(339,455)379-87-140-166(176(359-43-33-349-23)212(398-140)292-96-250-154-185(238)244-91-247-188(154)292)417-430(333,449)371-80-133-158(295)168(351-35-25-341-15)204(391-133)282-63-106(9)195(299)268-225(282)316)123(380-142)71-362-421(324,440)403-117-50-147(279-61-104(7)193(297)266-223(279)314)386-128(117)75-366-426(329,445)409-120-53-150(289-93-251-155-189(289)259-214(239)262-201(155)305)388-131(120)77-368-424(327,443)405-118-51-148(280-62-105(8)194(298)267-224(280)315)385-127(118)74-364-422(325,441)404-116-49-146(278-60-103(6)192(296)265-222(278)313)384-126(116)73-363-420(323,439)402-115-48-145(277-58-101(4)181(234)257-220(277)311)383-129(115)79-370-429(332,448)411-162-136(394-207(172(162)355-39-29-345-19)284-65-108(11)197(301)270-227(284)318)83-374-434(337,453)414-164-138(396-209(174(164)357-41-31-347-21)286-67-110(13)199(303)272-229(286)320)85-376-433(336,452)413-161-135(392-205(170(161)353-37-27-343-17)281-59-102(5)182(235)258-221(281)312)82-378-437(340,456)418-167-141(399-213(177(167)360-44-34-350-24)293-97-253-157-191(293)261-216(241)264-203(157)307)88-373-431(334,450)410-159-122(69-294)390-211(169(159)352-36-26-342-16)291-95-249-153-184(237)243-90-246-187(153)291/h55-68,89-97,112-151,158-177,204-213,294-295H,25-54,69-88H2,1-24H3,(H,322,438)(H,323,439)(H,324,440)(H,325,441)(H,326,442)(H,327,443)(H,328,444)(H,329,445)(H,330,446)(H,331,447)(H,332,448)(H,333,449)(H,334,450)(H,335,451)(H,336,452)(H,337,453)(H,338,454)(H,339,455)(H,340,456)(H2,231,254,308)(H2,232,255,309)(H2,233,256,310)(H2,234,257,311)(H2,235,258,312)(H2,236,242,245)(H2,237,243,246)(H2,238,244,247)(H,265,296,313)(H,266,297,314)(H,267,298,315)(H,268,299,316)(H,269,300,317)(H,270,301,318)(H,271,302,319)(H,272,303,320)(H,273,304,321)(H3,239,259,262,305)(H3,240,260,263,306)(H3,241,261,264,307)/t112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,204+,205+,206+,207+,208+,209+,210+,211+,212+,213+,419?,420?,421?,422?,423?,424?,425?,426?,427?,428?,429?,430?,431?,432?,433?,434?,435?,436?,437?/m0/s1",IJUQCWMZCMFFJP-GQSLRNSLSA-N
BMGC_DG02219,BMG_DG018555,CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)O,c1cc(cc2c1nccc2[C@@H](O)[C@@]3([H])[N@]4CC[C@H]([C@@H](CC)C4)C3)OC,"InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19-,20+/m0/s1",LJOQGZACKSYWCH-WZBLMQSHSA-N
BMGC_DG02220,BMG_DG018556,,c1(ccccc1)CN=[N+]=[N-],,UDLLFLQFQMACJB-UHFFFAOYSA-N
BMGC_DG02221,BMG_DG018572,,O=S(=O)(O)CCCNC(CO)(CO)CO,,YNLCVAQJIKOXER-UHFFFAOYSA-N
BMGC_DG02222,BMG_DG018654,CC(C)C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N,N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N2CCC[C@H]2C(N[C@H](C(=O)O)CCCNC(=N)N)=O)=O)CC(C)C)=O)CC(=O)O)=O)C(C)C)=O)CCCCN)=O)CO)=O)=O)Cc3cnc[nH]3)=O)CC(C)C)=O)Cc4ccccc4)=O)CCC(=O)O)=O)CCCCN,"InChI=1S/C72H116N20O19/c1-39(2)31-48(84-63(102)49(33-42-17-8-7-9-18-42)85-60(99)46(24-25-56(94)95)81-59(98)44(75)19-10-12-26-73)62(101)88-52(34-43-36-78-38-80-43)70(109)92-30-16-23-55(92)67(106)89-53(37-93)65(104)82-45(20-11-13-27-74)61(100)90-58(41(5)6)68(107)86-50(35-57(96)97)64(103)87-51(32-40(3)4)69(108)91-29-15-22-54(91)66(105)83-47(71(110)111)21-14-28-79-72(76)77/h7-9,17-18,36,38-41,44-55,58,93H,10-16,19-35,37,73-75H2,1-6H3,(H,78,80)(H,81,98)(H,82,104)(H,83,105)(H,84,102)(H,85,99)(H,86,107)(H,87,103)(H,88,101)(H,89,106)(H,90,100)(H,94,95)(H,96,97)(H,110,111)(H4,76,77,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1",LGANPTNILMNMES-TVNHODDRSA-N
BMGC_DG02223,BMG_DG018656,C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=CN=CC5=C4C=CN5,C[C@@H]1COCCN1c2nc(-c3cncc4[nH]ccc43)nc(C5([S@@](=O)(=N)C)CC5)c2,"InChI=1S/C20H24N6O2S/c1-13-12-28-8-7-26(13)18-9-17(20(4-5-20)29(2,21)27)24-19(25-18)15-10-22-11-16-14(15)3-6-23-16/h3,6,9-11,13,21,23H,4-5,7-8,12H2,1-2H3/t13-,29-/m1/s1",DTTJKLNXNZAVSM-JYCIKRDWSA-N
BMGC_DG02224,BMG_DG018657,,C([C@@H](CNC(N[C@H](Cc1ccsc1)C)=O)N(C)C)c2ccc(O)cc2,,MEDBIJOVZJEMBI-YOEHRIQHSA-N
BMGC_DG02225,BMG_DG018659,CC1=C(C(=CC=C1)Cl)N2CC3=CN=C(N=C3N(C2=O)C4=NC=C(C=C4)OC)NC5=C(C=C(C=C5)C6CCN(CC6)C)OC,,"InChI=1S/C32H34ClN7O3/c1-20-6-5-7-25(33)29(20)39-19-23-17-35-31(37-30(23)40(32(39)41)28-11-9-24(42-3)18-34-28)36-26-10-8-22(16-27(26)43-4)21-12-14-38(2)15-13-21/h5-11,16-18,21H,12-15,19H2,1-4H3,(H,35,36,37)",VQINULODWGEVBB-UHFFFAOYSA-N
BMGC_DG02226,BMG_DG018686,,C1(=CC(=O)C=CC1=O)c2ccc(cc2)OC,,LMZUGHSRDZORTH-UHFFFAOYSA-N
BMGC_DG02227,BMG_DG018730,CC1(N=C(N=C(N1OCCCOC2=CC(=C(C=C2Cl)Cl)Cl)N)N)C.Cl,N1(C(=NC(=NC1(C)C)N)N)OCCCOc2cc(Cl)c(cc2Cl)Cl.Cl,"InChI=1S/C14H18Cl3N5O2.ClH/c1-14(2)21-12(18)20-13(19)22(14)24-5-3-4-23-11-7-9(16)8(15)6-10(11)17;/h6-7H,3-5H2,1-2H3,(H4,18,19,20,21);1H",VOTSDCGUYAGUNS-UHFFFAOYSA-N
BMGC_DG02228,BMG_DG018731,CC1(N=C(N=C(N1OCCCOC2=CC(=C(C=C2Cl)Cl)Cl)N)N)C,CC1(C)N=C(N)N=C(N)N1OCCCOc2cc(c(cc2Cl)Cl)Cl,"InChI=1S/C14H18Cl3N5O2/c1-14(2)21-12(18)20-13(19)22(14)24-5-3-4-23-11-7-9(16)8(15)6-10(11)17/h6-7H,3-5H2,1-2H3,(H4,18,19,20,21)",MJZJYWCQPMNPRM-UHFFFAOYSA-N
BMGC_DG02229,BMG_DG018744,C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=CC=C3,c12c(c(c(O)c(c1)O)Cl)CCNCC2c3ccccc3,"InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2",GHWJEDJMOVUXEC-UHFFFAOYSA-N
BMGC_DG02230,BMG_DG018761,CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N,,"InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)",DRHKJLXJIQTDTD-UHFFFAOYSA-N
BMGC_DG02231,BMG_DG018763,C[N+](C)(C)C[C@@H](CC(=O)[O-])N,,"InChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/t6-/m1/s1",DAWBGYHPBBDHMQ-ZCFIWIBFSA-N
BMGC_DG02232,BMG_DG018772,CCS(=O)(=O)N(C)[C@@H]1[C@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O,,"InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m0/s1",HVSJHHXUORMCGK-UONOGXRCSA-N
BMGC_DG02233,BMG_DG018774,,CC(C)(C)NCC(CON=C1c2ccccc2-c3ccccc31)O,,DSKDPDQUXBBVRD-UHFFFAOYSA-N
BMGC_DG02234,BMG_DG018779,CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C=O)NC(=O)C,C(N[C@H](C(N[C@H](C=O)CCSC)=O)CC(C)C)([C@@H](NC(=O)C)CC(C)C)=O,"InChI=1S/C19H35N3O4S/c1-12(2)9-16(20-14(5)24)19(26)22-17(10-13(3)4)18(25)21-15(11-23)7-8-27-6/h11-13,15-17H,7-10H2,1-6H3,(H,20,24)(H,21,25)(H,22,26)/t15-,16-,17-/m0/s1",RJWLAIMXRBDUMH-ULQDDVLXSA-N
BMGC_DG02235,BMG_DG018794,,N1(C([C@H](NC(CC(N)(C)C)=O)CCc2c1cccc2)=O)Cc3ccc(-c4c(-c5[nH]nnn5)cccc4)cc3,,SBJLJOFPWOYATP-XMMPIXPASA-N
BMGC_DG02236,BMG_DG018796,CCCCN1CCC(CC1)COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl,,"InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3",AOOSJYIINXVNHV-UHFFFAOYSA-N
BMGC_DG02237,BMG_DG018798,CCOC(=O)COC1=CC2=C(CC[C@@H](C2)NC[C@@H](C3=CC(=CC=C3)Cl)O)C=C1.Cl,c12c(ccc(c1)OCC(=O)OCC)CC[C@H](NC[C@@H](c3cc(Cl)ccc3)O)C2.Cl,"InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1",NQIZCDQCNYCVAS-RQBPZYBGSA-N
BMGC_DG02238,BMG_DG018799,C1CC[C@H]2CN(C[C@H]2C1)C(=O)C[C@H](CC3=CC=CC=C3)C(=O)O,N1(C(=O)C[C@H](Cc2ccccc2)C(O)=O)C[C@@]3([H])CCCC[C@@]3([H])C1,"InChI=1S/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)/t15-,16+,17-/m0/s1",WPGGHFDDFPHPOB-BBWFWOEESA-N
BMGC_DG02239,BMG_DG018800,CCOC(=O)NC1=C(C=C(C=C1)NCC2=CC=C(C=C2)F)N,C(Nc1c(cc(NCc2ccc(cc2)F)cc1)N)(=O)OCC,"InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)",PCOBBVZJEWWZFR-UHFFFAOYSA-N
BMGC_DG02240,BMG_DG018801,CC1=C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1CCC(=O)O)N2)CCC(=O)O)C)C=C)C)C=C)C,,"InChI=1S/C34H40N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,35-38H,1-2,9-16H2,3-6H3,(H,39,40)(H,41,42)",UHSGPDMIQQYNAX-UHFFFAOYSA-N
BMGC_DG02241,BMG_DG018804,CCCN(CCC)C1CCC2=C(C1)C=C(C=C2)O,C1c2ccc(O)cc2CC(N(CCC)CCC)C1,"InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3",BLYMJBIZMIGWFK-UHFFFAOYSA-N
BMGC_DG02242,BMG_DG018808,CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C,,"InChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1",HQZOLNNEQAKEHT-IBBGRPSASA-N
BMGC_DG02243,BMG_DG018813,[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,,"InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m0/s1",MRVYFOANPDTYBY-UZAAGFTCSA-N
BMGC_DG02244,BMG_DG018814,,,,
BMGC_DG02245,BMG_DG018818,CCOC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4,CCOC(=O)c1c(COC)c2c([nH]c3c2cc(OCc4ccccc4)cc3)cn1,"InChI=1S/C23H22N2O4/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22/h4-12,25H,3,13-14H2,1-2H3",ALBKMJDFBZVHAK-UHFFFAOYSA-N
BMGC_DG02246,BMG_DG018823,,[C@]12([C@]([C@]3([C@]([C@@]4(C(C[C@@H](O)CC4)=CC3)C)([H])CC1)[H])(CC[C@@]2([C@@](O)(CCCC(C)C)C)[H])[H])C,,MCKLJFJEQRYRQT-APGJSSKUSA-N
BMGC_DG02247,BMG_DG018824,C[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O,,"InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21?,22+,23-,26-,27+,28+,29-,30-/m1/s1",MPDGHEJMBKOTSU-NFYGSHHYSA-N
BMGC_DG02248,BMG_DG018825,,C1NCCCc2ccc(c(c12)Cl)Cl,,IADAQXMUWITWNG-UHFFFAOYSA-N
BMGC_DG02249,BMG_DG018829,,CO[C@@H]1O[C@H](CO)[C@@H](O[C@@]2(O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[H])[C@H](O)[C@H]1O,,FHNIYFZSHCGBPP-ABBMIVAOSA-N
BMGC_DG02250,BMG_DG018830,,S(NCCCC[C@@H](C(O)=O)N)(=O)(=O)c1c2c(c(N(C)C)ccc2)ccc1,,VQPRNSWQIAHPMS-HNNXBMFYSA-N
BMGC_DG02251,BMG_DG018831,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,,"InChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/t4-,5-,6+/m1/s1",QYOJSKGCWNAKGW-PBXRRBTRSA-N
BMGC_DG02252,BMG_DG018832,C[C@H](CC[C@@H](C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,[C@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC1)[H])(CC[C@@H](C4)O)C)[H])(CC[C@@]2([C@@H](CC[C@@H](C(C)C)O)C)[H])[H])C,"InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1",IOWMKBFJCNLRTC-XWXSNNQWSA-N
BMGC_DG02253,BMG_DG018842,,,,
BMGC_DG02254,BMG_DG018846,CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)OC)S(=O)(=O)C1)C(=O)N3CCC[C@H]3C(=O)O,[C@]12(N(C(C(N3[C@H](C(=O)O)CCC3)=O)=C(CS1(=O)=O)COC(=O)C)C([C@@H]2OC)=O)[H],"InChI=1S/C16H20N2O9S/c1-8(19)27-6-9-7-28(24,25)15-12(26-2)14(21)18(15)11(9)13(20)17-5-3-4-10(17)16(22)23/h10,12,15H,3-7H2,1-2H3,(H,22,23)/t10-,12-,15+/m0/s1",SMZXYXKZTNLAKY-ITDIGPHOSA-N
BMGC_DG02255,BMG_DG018848,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,,"InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,11-,12+,13+,15+/m0/s1",ZOSQFDVXNQFKBY-CGAXJHMRSA-N
BMGC_DG02256,BMG_DG018850,,C(c1ccc(cc1)F)(CC2CCN(CC3CC3)CC2)=O,,KWRMWQDKOGFMKP-UHFFFAOYSA-N
BMGC_DG02257,BMG_DG018851,,,,
BMGC_DG02258,BMG_DG018864,C([C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O)OP(=O)(O)O,P(OC[C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O)(=O)(O)O,"InChI=1S/C6H14NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,9-11H,2,7H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1",AEJSSXDYDSUOOZ-SLPGGIOYSA-N
BMGC_DG02259,BMG_DG018870,C1C(C(=O)NC(=O)N1)F,N1C(NCC(C1=O)F)=O,"InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)",RAIRJKWTBBDDAR-UHFFFAOYSA-N
BMGC_DG02260,BMG_DG018871,,[C@H](Cc1ccccc1)(C(N[C@H](C(N[C@@H](CCCNC(=N)N)C(O)=O)=O)CC(C)C)=O)NC(CNC(CNC([C@H](Cc2ccc(cc2)O)N)=O)=O)=O,,ILBHHEXPXBRSKB-FWEHEUNISA-N
BMGC_DG02261,BMG_DG018872,CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O,c12c(CCC(C1)N(CCC)CCC)cccc2O,"InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3",ASXGJMSKWNBENU-UHFFFAOYSA-N
BMGC_DG02262,BMG_DG018892,CCC1=CC(=C(C=C1OCCCCCC(C)(C)C2=NNN=N2)O)C(=O)C,n1n[nH]c(n1)C(CCCCCOc2cc(c(C(=O)C)cc2CC)O)(C)C,"InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)",WCGXJPFHTHQNJL-UHFFFAOYSA-N
BMGC_DG02263,BMG_DG018902,CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)N4C(=O)C=CC4=O)C,N1(C(C=CC1=O)=O)c2ccc(cc2)-c3c(oc4c(c3C)ccc(c4)N(CC)CC)=O,"InChI=1S/C24H22N2O4/c1-4-25(5-2)18-10-11-19-15(3)23(24(29)30-20(19)14-18)16-6-8-17(9-7-16)26-21(27)12-13-22(26)28/h6-14H,4-5H2,1-3H3",YGIABALXNBVHBX-UHFFFAOYSA-N
BMGC_DG02264,BMG_DG018903,CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCCO)OC3=CC=CC(=C3)OC,CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2c(c(ncn2)OCCO)Oc3cccc(c3)OC,"InChI=1S/C23H27N3O6S/c1-23(2,3)16-8-10-19(11-9-16)33(28,29)26-21-20(22(25-15-24-21)31-13-12-27)32-18-7-5-6-17(14-18)30-4/h5-11,14-15,27H,12-13H2,1-4H3,(H,24,25,26)",ZNXOKLWCOWOECF-UHFFFAOYSA-N
BMGC_DG02265,BMG_DG018905,,Clc1ccc(cc1)C2(N3C(c4c2cccc4)=NCCC3)O,,ZGLAJTSGABGHND-UHFFFAOYSA-N
BMGC_DG02266,BMG_DG018908,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=C3CC[C@@H](C4)O)C[75Se]C)C,C12=C([C@H](C[75Se]C)C[C@@]3([C@@]1(CC[C@@]4([C@]([C@@H](CCCC(C)C)C)([H])CC[C@@]34[H])C)[H])[H])C[C@@H](O)CC2,"InChI=1S/C28H48OSe/c1-18(2)7-6-8-19(3)26-11-12-27-25-15-20(17-30-5)24-16-21(29)9-10-22(24)23(25)13-14-28(26,27)4/h18-21,23,25-27,29H,6-17H2,1-5H3/t19-,20+,21+,23-,25-,26-,27+,28-/m1/s1/i30-4",AEVGUKVBCBHBNF-MJMUOCKJSA-N
BMGC_DG02267,BMG_DG018921,CCNCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O,c12c(Nc3cc(CNCC)c(cc3)O)ccnc1cc(cc2)Cl,"InChI=1S/C18H18ClN3O/c1-2-20-11-12-9-14(4-6-18(12)23)22-16-7-8-21-17-10-13(19)3-5-15(16)17/h3-10,20,23H,2,11H2,1H3,(H,21,22)",VRXFDHAGFYWGHT-UHFFFAOYSA-N
BMGC_DG02268,BMG_DG018930,C1=CC=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl,n1(c(C(Nc2nc(-c3c(Cl)cccc3)cs2)=O)cc4c1cccc4)CC(=O)O,"InChI=1S/C20H14ClN3O3S/c21-14-7-3-2-6-13(14)15-11-28-20(22-15)23-19(27)17-9-12-5-1-4-8-16(12)24(17)10-18(25)26/h1-9,11H,10H2,(H,25,26)(H,22,23,27)",ILNRQFBVVQUOLP-UHFFFAOYSA-N
BMGC_DG02269,BMG_DG018942,CC1=C(C(=O)NO1)CC(C(=O)O)N,c1(c([nH]oc1C)=O)CC(C(O)=O)N,"InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)",UUDAMDVQRQNNHZ-UHFFFAOYSA-N
BMGC_DG02270,BMG_DG018961,CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N)O)O,[C@H]([C@@H](N)CO)([C@H](O)CCCCCCCCCCCCCC)O,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",AERBNCYCJBRYDG-KSZLIROESA-N
BMGC_DG02271,BMG_DG018972,CC(=N)N1CC[C@@H](C1)OC2=CC=C(C=C2)[C@H](CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O,C([C@H](C(O)=O)c1ccc(cc1)O[C@@H]2CN(CC2)C(C)=N)c3cc4c(cc3)ccc(c4)C(=N)N,"InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1",AGRCGQSFFMCBRE-ZEQRLZLVSA-N
BMGC_DG02272,BMG_DG019001,CC(C)CNC1CCS(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N,,"InChI=1S/C11H18N2O4S3/c1-7(2)6-13-9-3-4-19(14,15)11-8(9)5-10(18-11)20(12,16)17/h5,7,9,13H,3-4,6H2,1-2H3,(H2,12,16,17)",JFLUCCKXAYBETQ-UHFFFAOYSA-N
BMGC_DG02273,BMG_DG019004,C1=CC(=CC=C1C(CN)CS(=O)(=O)O)Cl,OS(CC(c1ccc(Cl)cc1)CN)(=O)=O,"InChI=1S/C9H12ClNO3S/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H,12,13,14)",JYLNVJYYQQXNEK-UHFFFAOYSA-N
BMGC_DG02274,BMG_DG019010,,[C@@]12(C(O[C@@H]([C@H]1C)c3cc(OC)c(cc3)OC)=CC(C(=C2)CC=C)=O)OC,,VDYACOATPFOZIO-UBWHGVKJSA-N
BMGC_DG02275,BMG_DG019015,,CC(=O)NCCc1c(Cc2ccccc2)[nH]c3ccccc13,,WVVXBPKOIZGVNS-UHFFFAOYSA-N
BMGC_DG02276,BMG_DG019055,,,,
BMGC_DG02277,BMG_DG019095,,CCn1ncc(c1)[C@@]2(c3c(C[C@@H](N2)c4[nH]cc(n4)-c5ccc(cn5)F)c6c([nH]3)cccc6)c7oc(n(n7)C)=O,,RETOYYSEVCBIRN-JIPXPUAJSA-N
BMGC_DG02278,BMG_DG019103,C[C@@H]1CC2=C(C(=CC3=C2C[C@@H]4[C@@](O3)(CC[C@@H]5[C@@]4(C=CC(=O)C5(C)C)C)C)O)C(=O)O1,,"InChI=1S/C25H30O5/c1-13-10-15-14-11-19-24(4)8-7-20(27)23(2,3)18(24)6-9-25(19,5)30-17(14)12-16(26)21(15)22(28)29-13/h7-8,12-13,18-19,26H,6,9-11H2,1-5H3/t13-,18+,19+,24+,25+/m1/s1",KSQRSKKEHRYRCT-IZCXAEKASA-N
BMGC_DG02279,BMG_DG019106,CCCN(CCC)[C@H]1CCC2=C(C=CC(=C2C1)O)F,c12c(CC[C@@H](C1)N(CCC)CCC)c(F)ccc2O,"InChI=1S/C16H24FNO/c1-3-9-18(10-4-2)12-5-6-13-14(11-12)16(19)8-7-15(13)17/h7-8,12,19H,3-6,9-11H2,1-2H3/t12-/m0/s1",FNKBVTBXFLSTPB-LBPRGKRZSA-N
BMGC_DG02280,BMG_DG019107,CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCO.Cl,c1(n(c(cc(n1C)=O)NCCN(CCCc2ccc([N+]([O-])=O)cc2)CCO)C)=O.Cl,"InChI=1S/C19H27N5O5.ClH/c1-21-17(14-18(26)22(2)19(21)27)20-9-11-23(12-13-25)10-3-4-15-5-7-16(8-6-15)24(28)29;/h5-8,14,20,25H,3-4,9-13H2,1-2H3;1H",YPVGGQKNWAKOPX-UHFFFAOYSA-N
BMGC_DG02281,BMG_DG019112,,C(NC)C,,LIWAQLJGPBVORC-UHFFFAOYSA-N
BMGC_DG02282,BMG_DG019119,,,,
BMGC_DG02283,BMG_DG019209,C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)CCC2=NC3=C(N2CC4=CC=C(C=C4)OC(F)(F)F)N=CC=C3,c1ccnc2c1nc(CCC(N[C@H](c3ccc(Cl)cc3)C)=O)n2Cc4ccc(OC(F)(F)F)cc4,"InChI=1S/C25H22ClF3N4O2/c1-16(18-6-8-19(26)9-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-10-20(11-5-17)35-25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1",HXYXHSDYBDFOFO-INIZCTEOSA-N
BMGC_DG02284,BMG_DG019210,CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C#N)O,,"InChI=1S/C27H33N5O4S/c1-16-21(37-15-30-16)18-7-5-17(6-8-18)12-29-23(34)20-11-19(33)13-32(20)24(35)22(26(2,3)4)31-25(36)27(14-28)9-10-27/h5-8,15,19-20,22,33H,9-13H2,1-4H3,(H,29,34)(H,31,36)/t19-,20+,22-/m1/s1",NDVQUNZCNAMROD-RZUBCFFCSA-N
BMGC_DG02285,BMG_DG019211,CC(C1=CC=C(C=C1)C(=O)O)(C(=O)O)N,c1c(C(=O)O)ccc(C(N)(C)C(O)=O)c1,"InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)",DNCAZYRLRMTVSF-UHFFFAOYSA-N
BMGC_DG02286,BMG_DG019247,,[C@@]12(C)CC[C@@]3([C@@]4(C)CC[C@H](C[C@]4([C@@H](CC)[C@@H](O)[C@@]3([H])[C@]2([H])CC[C@]1([H])[C@H](C)CCC(NCCS(=O)(O)=O)=O)[H])O)[H],,JEZXQTZLWHAKAC-NQGMLVFVSA-N
BMGC_DG02287,BMG_DG019308,C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N,,"InChI=1S/C30H45N9O5/c31-15-5-4-9-23(26(33)41)37-29(44)25(18-19-7-2-1-3-8-19)39-28(43)24(10-6-16-36-30(34)35)38-27(42)22(32)17-20-11-13-21(40)14-12-20/h1-3,7-8,11-14,22-25,40H,4-6,9-10,15-18,31-32H2,(H2,33,41)(H,37,44)(H,38,42)(H,39,43)(H4,34,35,36)/t22-,23-,24+,25-/m0/s1",UEVAHGMTRWGMTB-JBXUNAHCSA-N
BMGC_DG02288,BMG_DG019323,,C1c2c(cc(c(O)c2)O)[C@@H](Cc3cc(c(c(c3)OC)OC)OC)NC1,,RGVPOXRFEPSFGH-CQSZACIVSA-N
BMGC_DG02289,BMG_DG019330,CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32,,"InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3",ZEUITGRIYCTCEM-UHFFFAOYSA-N
BMGC_DG02290,BMG_DG019333,C1CN(CCN1CCCN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)Cl,c1(N2CCN(CC2)CCCN3CCN(CC3)c4ccnc5c4ccc(c5)Cl)ccnc6c1ccc(c6)Cl,"InChI=1S/C29H32Cl2N6/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2-9,20-21H,1,10-19H2",UCRHFBCYFMIWHC-UHFFFAOYSA-N
BMGC_DG02291,BMG_DG019334,CN(C)CCSC1=NC2=CC=CC=C2C=C1C3=CC=CC=C3,c1(nc2c(cccc2)cc1-c3ccccc3)SCCN(C)C,"InChI=1S/C19H20N2S/c1-21(2)12-13-22-19-17(15-8-4-3-5-9-15)14-16-10-6-7-11-18(16)20-19/h3-11,14H,12-13H2,1-2H3",HYOLQGVNMQNERE-UHFFFAOYSA-N
BMGC_DG02292,BMG_DG019337,CN[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C=O,N1(C([C@@H](Cc2ccccc2)NC)=O)[C@H](C(N[C@H](C=O)CCCNC(=N)N)=O)CCC1,"InChI=1S/C21H32N6O3/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25)/t16-,17+,18-/m0/s1",KAGLWQUWUNBAOO-KSZLIROESA-N
BMGC_DG02293,BMG_DG019341,CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C,,"InChI=1S/C17H19N3O3S/c1-11-12(2)18-23-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4/h5-10,19H,1-4H3",MJRGSRRZKSJHOE-UHFFFAOYSA-N
BMGC_DG02294,BMG_DG019349,CN=C=O,CN=C=O,InChI=1S/C2H3NO/c1-3-2-4/h1H3,HAMGRBXTJNITHG-UHFFFAOYSA-N
BMGC_DG02295,BMG_DG019350,C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O,,"InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1",FQYGGFDZJFIDPU-JRSYHJKYSA-N
BMGC_DG02296,BMG_DG019351,CN1C2C(N(C1=O)C)N(C(=O)N2C)C,N1([C@]2(N(C(=O)N([C@]2(N(C1=O)C)[H])C)C)[H])C,"InChI=1S/C8H14N4O2/c1-9-5-6(11(3)7(9)13)12(4)8(14)10(5)2/h5-6H,1-4H3",XIUUSFJTJXFNGH-UHFFFAOYSA-N;XIUUSFJTJXFNGH-OLQVQODUSA-N
BMGC_DG02297,BMG_DG019357,,Clc1cccc(Cn2ccnc2)c1,,DARGVYVMURXBSO-UHFFFAOYSA-N
BMGC_DG02298,BMG_DG019358,,Fc1ccc(Cn2ccnc2)cc1,,LOHJXVMUYVDWOW-UHFFFAOYSA-N
BMGC_DG02299,BMG_DG019359,,,,
BMGC_DG02300,BMG_DG019360,CC(=CCOC1=C2CCN(CCC2=C(C=C1)Cl)C)C,c12c(CCN(CC1)C)c(OCC=C(C)C)ccc2Cl,"InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3",MBYSTKNEMJZSIK-UHFFFAOYSA-N
BMGC_DG02301,BMG_DG019362,B([C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C)(O)O,,"InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1",FXFYPTZERULUBS-SQNIBIBYSA-N
BMGC_DG02302,BMG_DG019372,C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,,"InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1",CNWPIIOQKZNXBB-VCVMUKOKSA-N
BMGC_DG02303,BMG_DG019380,CCCCCCCCCCC(C)(C)C(=O)NC1=C(C=C(C=C1OC)OC)OC,c1(NC(C(CCCCCCCCCC)(C)C)=O)c(cc(cc1OC)OC)OC,"InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)",WAFNZAURAWBNDZ-UHFFFAOYSA-N
BMGC_DG02304,BMG_DG019385,CCCN[C@@H]1CCC2=C([C@@H]1C)C=CC=C2OC,,"InChI=1S/C15H23NO/c1-4-10-16-14-9-8-13-12(11(14)2)6-5-7-15(13)17-3/h5-7,11,14,16H,4,8-10H2,1-3H3/t11-,14+/m0/s1",YGHLYBIUVOLKCV-SMDDNHRTSA-N
BMGC_DG02305,BMG_DG019386,CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)O)C,C(C(=O)O)(Oc1ccc(CC(Nc2cc(cc(c2)C)C)=O)cc1)(C)C,"InChI=1S/C20H23NO4/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)",BNFRJXLZYUTIII-UHFFFAOYSA-N
BMGC_DG02306,BMG_DG019387,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O)O)O)O,,"InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1",LABSPYBHMPDTEL-LIZSDCNHSA-N
BMGC_DG02307,BMG_DG019396,C[C@H](CC1=CC=C(C=C1)O)N,c1(C[C@H](N)C)ccc(cc1)O,"InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m1/s1",GIKNHHRFLCDOEU-SSDOTTSWSA-N
BMGC_DG02308,BMG_DG019405,CC(=O)NCCCCN,CC(=O)NCCCCN,"InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)",KLZGKIDSEJWEDW-UHFFFAOYSA-N
BMGC_DG02309,BMG_DG019406,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,[C@H]([C@H](C=O)O)(COP(=O)(O)O)O,"InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1",NGHMDNPXVRFFGS-IUYQGCFVSA-N
BMGC_DG02310,BMG_DG019500,CC(C)(C)C1(CCN2CC3C4=CC=CC=C4CCC5=C3C(=CC=C5)C2C1)O,,"InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3",ZZJYIKPMDIWRSN-UHFFFAOYSA-N
BMGC_DG02311,BMG_DG019532,,S(=O)(=O)(c1c2c(ccc1)cncc2)N3CCC([C@@H](C)N)CC3,,MGLIYKZFLDTAMW-GFCCVEGCSA-N
BMGC_DG02312,BMG_DG019533,C[C@H]1CN(CCO1)C2=NNC3=NC(=NC=C32)NC4CCC(CC4)NS(=O)(=O)CCC(F)(F)F,C[C@H]1CN(CCO1)c2c3cnc(N[C@H]4CC[C@@H](CC4)NS(=O)(=O)CCC(F)(F)F)nc3[nH]n2,"InChI=1S/C19H28F3N7O3S/c1-12-11-29(7-8-32-12)17-15-10-23-18(25-16(15)26-27-17)24-13-2-4-14(5-3-13)28-33(30,31)9-6-19(20,21)22/h10,12-14,28H,2-9,11H2,1H3,(H2,23,24,25,26,27)/t12-,13?,14?/m0/s1",RQWCISVRFNZHMJ-HSBZDZAISA-N;RQWCISVRFNZHMJ-IHRRRGAJSA-N
BMGC_DG02313,BMG_DG019538,C1=C(C=C(C(=C1F)F)F)C2=CN(N=N2)[C@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)SC4=CC(=CN=C4)Br)CO)O,O[C@@H]1[C@H]([C@@H](O)[C@H](O[C@@H]1Sc2cc(Br)cnc2)CO)n3cc(nn3)-c4cc(F)c(c(c4)F)F,"InChI=1S/C19H16BrF3N4O4S/c20-9-3-10(5-24-4-9)32-19-18(30)16(17(29)14(7-28)31-19)27-6-13(25-26-27)8-1-11(21)15(23)12(22)2-8/h1-6,14,16-19,28-30H,7H2/t14-,16+,17+,18-,19-/m1/s1",FNCLKJPMEFPXOR-QFACEVIFSA-N
BMGC_DG02314,BMG_DG019554,CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]2C[C@H]2C3=CC=C(C=C3)F)NC(=O)C4=CC=C(C=C4)N5C=CN=N5,C(c1ccc(cc1)-n2nncc2)(=O)N[C@H](C(=O)N3CCN(CC3)C)CCCN[C@H]4[C@@H](C4)c5ccc(cc5)F,"InChI=1S/C28H34FN7O2/c1-34-15-17-35(18-16-34)28(38)25(3-2-12-30-26-19-24(26)20-4-8-22(29)9-5-20)32-27(37)21-6-10-23(11-7-21)36-14-13-31-33-36/h4-11,13-14,24-26,30H,2-3,12,15-19H2,1H3,(H,32,37)/t24-,25-,26+/m0/s1",KQKBMHGOHXOHTD-KKUQBAQOSA-N
BMGC_DG02315,BMG_DG019581,C=CCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)Cl,C1Cc2c(cc(c(O)c2Cl)O)C(c3ccccc3)CN1CC=C,"InChI=1S/C19H20ClNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2",HJWHHQIVUHOBQN-UHFFFAOYSA-N
BMGC_DG02316,BMG_DG019588,,c1(c(cc(cc1)-c2ncn(c2-c3nn4c(cc3)ncc4C#N)CCO)Cl)F,,VZZBCNXVZFAIQX-UHFFFAOYSA-N
BMGC_DG02317,BMG_DG019590,C1C[C@@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)OC3=O,,"InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2/t3-,4-,5-,6+/m1/s1",JAABVEXCGCXWRR-KAZBKCHUSA-N
BMGC_DG02318,BMG_DG019605,C1[C@H]([C@@H](CN1C(=O)C2=CC(=CC=C2)OC3=CC(=CC(=N3)C(F)(F)F)CN)F)O,O(c1nc(C(F)(F)F)cc(c1)CN)c2cc(C(=O)N3C[C@H]([C@@H](C3)O)F)ccc2,"InChI=1S/C18H17F4N3O3/c19-13-8-25(9-14(13)26)17(27)11-2-1-3-12(6-11)28-16-5-10(7-23)4-15(24-16)18(20,21)22/h1-6,13-14,26H,7-9,23H2/t13-,14-/m1/s1",ODGXXYXJORZPHE-ZIAGYGMSSA-N
BMGC_DG02319,BMG_DG019640,COC1=CC(=C(C(=C1)F)[C@@H]2CNC(=O)[C@H]2NC(=O)NC3=CC=CC=C3)F,C1(NC[C@H]([C@@H]1NC(Nc2ccccc2)=O)c3c(cc(cc3F)OC)F)=O,"InChI=1S/C18H17F2N3O3/c1-26-11-7-13(19)15(14(20)8-11)12-9-21-17(24)16(12)23-18(25)22-10-5-3-2-4-6-10/h2-8,12,16H,9H2,1H3,(H,21,24)(H2,22,23,25)/t12-,16-/m0/s1",FJZNNKJZHQFMCK-LRDDRELGSA-N
BMGC_DG02320,BMG_DG019641,CCCC[C@](C)(CO)NC1=NC(=NC2=C1N=CC(=C2)F)N,,"InChI=1S/C14H20FN5O/c1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11/h6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20)/t14-/m1/s1",HTCJUBZBSJQWBW-CQSZACIVSA-N
BMGC_DG02321,BMG_DG019655,,N1(CC=C(C)C)[C@@H]2[C@@H](C)[C@@](c3c(ccc(c3)O)C2)(CC1)C,,VOKSWYLNZZRQPF-CCKFTAQKSA-N
BMGC_DG02322,BMG_DG019656,CC1=NN(C=C1C2=C(C=C3C(=C2)C4=C(C=N3)N(C(=O)N4C5=C(C=NC=C5OC)F)C)OC)C,O=c1n(c2c3c(cc(OC)c(c3)-c4cn(C)nc4C)ncc2n1C)-c5c(OC)cncc5F,"InChI=1S/C23H21FN6O3/c1-12-15(11-28(2)27-12)13-6-14-17(7-19(13)32-4)26-9-18-21(14)30(23(31)29(18)3)22-16(24)8-25-10-20(22)33-5/h6-11H,1-5H3",WNEFOSMCGCLLJU-UHFFFAOYSA-N
BMGC_DG02323,BMG_DG019670,,C(=O)[C@@]1(CCCN1C(=O)[C@@]2(CCCN2C(=O)OCc3ccccc3)[H])[H],,ORZXYSPOAVJYRU-HOTGVXAUSA-N
BMGC_DG02324,BMG_DG019676,,C(c1cc(OC)c(CC(N)C)cc1OC)CCCC,,VLJORLCVOAUUKM-UHFFFAOYSA-N
BMGC_DG02325,BMG_DG019680,CCC1=C(C(=CC=C1)CC)NC(=O)C2=C3CCC4=CN=C(N=C4N3C=C2)NC5=C(C=C(C=C5)N6CCN(CC6)C)OC,,"InChI=1S/C33H39N7O2/c1-5-22-8-7-9-23(6-2)30(22)36-32(41)26-14-15-40-28(26)13-10-24-21-34-33(37-31(24)40)35-27-12-11-25(20-29(27)42-4)39-18-16-38(3)17-19-39/h7-9,11-12,14-15,20-21H,5-6,10,13,16-19H2,1-4H3,(H,36,41)(H,34,35,37)",HGEIUFJVGHMGRR-UHFFFAOYSA-N
BMGC_DG02326,BMG_DG019681,CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC)C)NC(=O)C=C,,"InChI=1S/C33H35N7O6/c1-8-28(41)38-24-16-22(12-10-18(24)2)37-33-35-17-23(30(34-4)40-33)32(43)39-25-15-21(11-9-19(25)3)36-31(42)20-13-26(44-5)29(46-7)27(14-20)45-6/h8-17H,1H2,2-7H3,(H,36,42)(H,38,41)(H,39,43)(H2,34,35,37,40)",XURALSVDCFXBAX-UHFFFAOYSA-N
BMGC_DG02327,BMG_DG019682,CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C=C(C=C3O)O,C1(c2c(cc(cc2O)O)Cc3c1c(cc(C)c3)O)=O,"InChI=1S/C15H12O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3",LAJSXCAVRQXZIO-UHFFFAOYSA-N
BMGC_DG02328,BMG_DG019690,CNC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCCCC3)C4=CC=C(C=C4)O,,"InChI=1S/C22H24N2O4/c1-23-22(27)20-19-16(13-24-11-3-2-4-12-24)17(26)9-10-18(19)28-21(20)14-5-7-15(25)8-6-14/h5-10,25-26H,2-4,11-13H2,1H3,(H,23,27)",PQGCMFVNJWTUFH-UHFFFAOYSA-N
BMGC_DG02329,BMG_DG019692,,Cn1c2c(nc1CN(C)c3ncc(cn3)C(NO)=O)c(nc(n2)-c4ccc(cc4)N)N5CCOCC5,,WZIGNCHAFITFNX-UHFFFAOYSA-N
BMGC_DG02330,BMG_DG019694,CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CC(=CN=C5)C6=C(C=NO6)C,Cc1c(-c2cc(cnc2)-c3nc(Nc4cc(NC(=O)c5ccc(cc5)CN6CCN(CC6)C)ccc4C)ncc3)onc1,"InChI=1S/C33H34N8O2/c1-22-4-9-28(37-32(42)25-7-5-24(6-8-25)21-41-14-12-40(3)13-15-41)17-30(22)39-33-35-11-10-29(38-33)26-16-27(20-34-19-26)31-23(2)18-36-43-31/h4-11,16-20H,12-15,21H2,1-3H3,(H,37,42)(H,35,38,39)",ADGOPPKEIZXKAZ-UHFFFAOYSA-N
BMGC_DG02331,BMG_DG019708,CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N(CC)CC3=CC=CC=C3)[N+](=O)[O-],c1([N+]([O-])=O)c(N(Cc2ccccc2)CC)ccc(-c3c(nc(nc3CC)N)N)c1,"InChI=1S/C21H24N6O2/c1-3-16-19(20(22)25-21(23)24-16)15-10-11-17(18(12-15)27(28)29)26(4-2)13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H4,22,23,24,25)",IMIGOGRRRKKZEC-UHFFFAOYSA-N
BMGC_DG02332,BMG_DG019711,CC(C)(CN(C1=CC(=C(C=C1F)F)Cl)C2=CN=C(C(=N2)OC)C(=O)[C@H]3C[C@@H]3C(=O)O)F,Clc1cc(N(CC(F)(C)C)c2nc(OC)c(nc2)C(=O)[C@@H]3[C@H](C3)C(O)=O)c(F)cc1F,"InChI=1S/C20H19ClF3N3O4/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30/h5-7,9-10H,4,8H2,1-3H3,(H,29,30)/t9-,10-/m0/s1",RVMWIVNHZMXEHS-UWVGGRQHSA-N
BMGC_DG02333,BMG_DG019712,,,,
BMGC_DG02334,BMG_DG019721,CC1=CC(=NN1)C2=CC=C(C=C2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4=C5C(=O)NCCN5N=C4,[C@@H]1([C@@H](CCCC1)C(c2ccc(cc2)-c3cc(n[nH]3)C)=O)C(=O)Nc4cnn5c4C(NCC5)=O,"InChI=1S/C24H26N6O3/c1-14-12-19(29-28-14)15-6-8-16(9-7-15)22(31)17-4-2-3-5-18(17)23(32)27-20-13-26-30-11-10-25-24(33)21(20)30/h6-9,12-13,17-18H,2-5,10-11H2,1H3,(H,25,33)(H,27,32)(H,28,29)/t17-,18-/m1/s1",ROTWSDMXHVGAHZ-QZTJIDSGSA-N
BMGC_DG02335,BMG_DG019734,CC1=CC(=CN=C1)C2=NN=C(N2C3=C(C=CC=C3OC)OC)NS(=O)(=O)[C@@H](C)[C@H](C)C4=NC=C(C=N4)C,c1ncc(cc1C)-c2nnc(n2-c3c(cccc3OC)OC)NS([C@H]([C@@H](c4ncc(cn4)C)C)C)(=O)=O,"InChI=1S/C25H29N7O4S/c1-15-10-19(14-26-11-15)24-29-30-25(32(24)22-20(35-5)8-7-9-21(22)36-6)31-37(33,34)18(4)17(3)23-27-12-16(2)13-28-23/h7-14,17-18H,1-6H3,(H,30,31)/t17-,18-/m0/s1",DOMQFIFVDIAOOT-ROUUACIJSA-N
BMGC_DG02336,BMG_DG019939,O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3],O.[Al+3].[Mg+2].[OH-].S(=O)([O-])(=O)[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Al+3].[Al+3].[Al+3].[Al+3].S(=O)([O-])(=O)[O-],"InChI=1S/5Al.10Mg.2H2O4S.32H2O/c;;;;;;;;;;;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;2*(H2,1,2,3,4);32*1H2/q5*+3;10*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-35",SPPNVMTVMQOKSC-UHFFFAOYSA-A
BMGC_DG02337,BMG_DG019940,C1CC(CCC1CNC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)N[C@@H](CC3=CC4=CC=CC=C4C=C3)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O.[177Lu+3],[177Lu+3].C1N(CC(=O)[O-])CCN(CC(=O)NC[C@H]2CC[C@H](C(N[C@H](C(NCCCC[C@H](NC(N[C@H](C(O)=O)CCC(=O)O)=O)C(=O)O)=O)Cc3ccc4c(c3)cccc4)=O)CC2)CCN(CC([O-])=O)CCN(CC(=O)[O-])C1,"InChI=1S/C49H71N9O16.Lu/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61;/h1-2,5-6,10-11,25,32,35,37-39H,3-4,7-9,12-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74);/q;+3/p-3/t32?,35?,37-,38-,39-;/m0./s1/i;1+2",RSTDSVVLNYFDHY-IOCOTODDSA-K;RSTDSVVLNYFDHY-BGOLSCJMSA-K
BMGC_DG02338,BMG_DG019941,C1CC(CCC1CNC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CC3=CC4=CC=CC=C4C=C3)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O,C1N(CC(=O)O)CCN(CC(=O)NC[C@H]2CC[C@H](C(N[C@H](C(NCCCC[C@H](NC(N[C@H](C(O)=O)CCC(=O)O)=O)C(=O)O)=O)Cc3ccc4c(c3)cccc4)=O)CC2)CCN(CC(O)=O)CCN(CC(=O)O)C1,"InChI=1S/C49H71N9O16/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61/h1-2,5-6,10-11,25,32,35,37-39H,3-4,7-9,12-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74)/t32?,35?,37-,38-,39-/m0/s1",JBHPLHATEXGMQR-VLOIPPKDSA-N;JBHPLHATEXGMQR-LFWIOBPJSA-N
BMGC_DG02339,BMG_DG019991,CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O,C1[C@@](CC[C@@]2(CC[C@@]3(C4=CC=C5C(=C(C(C=C5[C@@]4(CC[C@]3([C@@]21[H])C)C)=O)O)C)C)C)(C(=O)O)C,"InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1",KQJSQWZMSAGSHN-JJWQIEBTSA-N
BMGC_DG02340,BMG_DG020025,,n1(c2c(cc(c(c2F)N3CC(N)CC3)F)c(c(c1)C(=O)O)=O)C4CC4,,UHBXZNXCIZHGFF-UHFFFAOYSA-N
BMGC_DG02341,BMG_DG020032,,c12c(c3cc4OCOc4cc3cc1C(=O)OC2)-c5cc(OC)c(cc5)OC,,YYPFAIGJJDNPII-UHFFFAOYSA-N
BMGC_DG02342,BMG_DG020045,,c12c3c(ccnc3C=CN1)cc(c2OC)OC,,IVXSXOFPZFVZTM-UHFFFAOYSA-N
BMGC_DG02343,BMG_DG020047,CC1=CC(=O)NC(=O)N1,c1(cc([nH]c([nH]1)=O)=O)C,"InChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)",SHVCSCWHWMSGTE-UHFFFAOYSA-N
BMGC_DG02344,BMG_DG020050,,C[C@@]12CCCc3coc(c31)C(=O)c4c2cc5C(=O)C=CC(=O)c5c4,,HDONDRKCXFRHQQ-FQEVSTJZSA-N
BMGC_DG02345,BMG_DG020058,,C(O)(=O)[C@]12[C@@]([C@@]3([C@](CC1)(C)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)C(CC5)=O)[H])[H])[H])([C@@H](CC2)C(C)=C)[H],,SLJTWDNVZKIDAU-SVAFSPIFSA-N
BMGC_DG02346,BMG_DG020061,C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O,c12C([C@H](O)[C@H](Oc1cc(cc2O)O)c3ccc(cc3)O)=O,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",PADQINQHPQKXNL-LSDHHAIUSA-N
BMGC_DG02347,BMG_DG020077,,c1cc(Cl)ncc1C(=O)NCCN2CCOCC2,,DWSIBMFUHQAQMK-UHFFFAOYSA-N
BMGC_DG02348,BMG_DG020079,,Nc1nc(=O)n(C[C@H]2COP(O)(=O)CO2)cc1,,YXQUGSXUDFTPLL-LURJTMIESA-N
BMGC_DG02349,BMG_DG020089,CC(CC1=CC(=C(C=C1OC)I)OC)N,c1(cc(c(cc1I)OC)CC(N)C)OC,"InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3",BGMZUEKZENQUJY-UHFFFAOYSA-N
BMGC_DG02350,BMG_DG020095,,c1(c(c(C=O)cc(c1)Cl)O)C=O,,MYHXSDYZVOKOAT-UHFFFAOYSA-N
BMGC_DG02351,BMG_DG020118,,O=c1[nH]c(=O)[nH]c2[nH]c(-c3ccccc3)nc21,,ACCCXSZCOGNLFL-UHFFFAOYSA-N
BMGC_DG02352,BMG_DG020119,,O=c1n(C)c2c(n(C)c(n2)-c3ccccc3)c(n1C)=O,,MBYIBRUTNFFDFL-UHFFFAOYSA-N
BMGC_DG02353,BMG_DG020139,,C1(N(c2ccccc2)C(CC)=O)(CCN(CC(c3ccccc3)O)CC1)C(OC)=O,,RFXVYDZQLYCDNJ-UHFFFAOYSA-N
BMGC_DG02354,BMG_DG020156,C(CC(=O)N)CN=C(N)N,C(=N)(NCCCC(=O)N)N,"InChI=1S/C5H12N4O/c6-4(10)2-1-3-9-5(7)8/h1-3H2,(H2,6,10)(H4,7,8,9)",YHVFECVVGNXFKO-UHFFFAOYSA-N
BMGC_DG02355,BMG_DG020218,,[C@H]1(CC[C@@]2([C@]3(CC=C4[C@@]5(CC(CC[C@@]5(CC[C@]4([C@@]3(CC[C@]2([C@]1(CO)C)[H])C)C)C(=O)O)(C)C)[H])[H])C)O,,PGOYMURMZNDHNS-JZLUYQONSA-N
BMGC_DG02356,BMG_DG020219,C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H](O[C@H]([C@H]([C@@H]2O)O)O)CO)O)O)O)O,,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m0/s1",GUBGYTABKSRVRQ-GXGLMDGZSA-N
BMGC_DG02357,BMG_DG020340,C[C@]12CC[C@](C[C@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O,,"InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,26+,27-,28-,29+,30+/m0/s1",JZFSMVXQUWRSIW-BTJIZOSBSA-N
BMGC_DG02358,BMG_DG020380,C1=CC=C(C=C1)C(C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O,,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10?,11-,12-,13-,14-,15-,16+,17-,18-,19-,20-/m1/s1",XUCIJNAGGSZNQT-NJFFKCNHSA-N
BMGC_DG02359,BMG_DG020381,,[C@H]1(C)[C@@H](CC[C@]2(C)CC[C@@]3(C([C@]12[H])=CC[C@]4([H])[C@]5(C)[C@@]([H])(CC[C@]43C)C(C)(C)C(=O)CC5)C)C,,DIFWJJFSELKWGA-IPQOMUISSA-N
BMGC_DG02360,BMG_DG020406,,c12cc(OCc3ccccc3)ccc1cccc2,,WLTCCDHHWYAMCG-UHFFFAOYSA-N
BMGC_DG02361,BMG_DG020432,,o1c(-c2ccc(O)c(O[C@H]3[C@@H]([C@H]([C@H](O)[C@H](O3)CO)O)O)c2)cc(=O)c4c(O)cc(O)cc41,,VNTMXJLNIJFLIF-QNDFHXLGSA-N
BMGC_DG02362,BMG_DG020462,,Oc1cc(ccc1O)C2CC(=O)c3c(c(O)c(O)cc3)O2,,ZPVNWCMRCGXRJD-UHFFFAOYSA-N
BMGC_DG02363,BMG_DG020482,C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)CO,,"InChI=1S/C30H48O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,20,22-24,31,33H,8-15,17-18H2,1-7H3/t20-,22-,23-,24+,26-,27+,28-,29+,30+/m0/s1",JCGXIYQLRYPHDG-DQOTWGJISA-N
BMGC_DG02364,BMG_DG020483,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,[C@]12([C@]([C@@]3([C@H](C[C@]4([C@@]([C@]3(CC1)[H])(CC[C@@H](O)C4)C)[H])O)[H])(CC[C@@]2([C@@H](CCC(NCC(O)=O)=O)C)[H])[H])C,"InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1",GHCZAUBVMUEKKP-XROMFQGDSA-N
BMGC_DG02365,BMG_DG020565,COC1=C(C2=C(C[C@H]3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)O,Oc1c(OC)ccc2c1CN3CCc4cc5OCOc5cc4[C@]3([H])C2,"InChI=1S/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",PQECCKIOFCWGRJ-HNNXBMFYSA-N
BMGC_DG02366,BMG_DG020621,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O,,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3",RTATXGUCZHCSNG-UHFFFAOYSA-N
BMGC_DG02367,BMG_DG020667,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)[C@H](C)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO)O)O)OC(=O)CCCCCCCCCCCCCCC.O.[Na+],C(O[C@@H](COP(=O)([O-])OCCNC([C@@H](NC(CC[C@H](C(=O)N)NC([C@@H](NC([C@@H](C)O[C@H]([C@H](C=O)NC(=O)C)[C@H](O)[C@@H](CO)O)=O)C)=O)=O)C)=O)COC(=O)CCCCCCCCCCCCCCC)(=O)CCCCCCCCCCCCCCC.[Na+].O,"InChI=1S/C59H109N6O19P.Na.H2O/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-52(71)80-41-47(84-53(72)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)42-82-85(78,79)81-38-37-61-57(75)43(3)62-51(70)36-35-48(56(60)74)65-58(76)44(4)63-59(77)45(5)83-55(54(73)50(69)40-67)49(39-66)64-46(6)68;;/h39,43-45,47-50,54-55,67,69,73H,7-38,40-42H2,1-6H3,(H2,60,74)(H,61,75)(H,62,70)(H,63,77)(H,64,68)(H,65,76)(H,78,79);;1H2/q;+1;/p-1/t43-,44-,45+,47+,48+,49-,50+,54+,55+;;/m0../s1",NGIYLSFJGRLEMI-MHTUOZSYSA-M
BMGC_DG02368,BMG_DG020685,[CH3-].CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC(C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+2],,"InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;-1;+2/p-1/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",QXOMMGINPOYKPR-WYVZQNDMSA-M
BMGC_DG02369,BMG_DG020716,,CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]43C)[C@]2([H])C1)C(=O)O,,FMIMFCRXYXVFTA-FUAOEXFOSA-N
BMGC_DG02370,BMG_DG020739,C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C=O)O)OC)O,C1C[C@@H](C[C@]2(CC[C@]3([C@]4(CC[C@@H]([C@]4(CC[C@@]3([C@]21C=O)[H])C)C=5COC(C5)=O)O)[H])[H])O[C@@]6(O[C@H]([C@@H]([C@H]([C@@H]6O)OC)O)C)[H],"InChI=1S/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28+,29+,30-/m0/s1",PMTSPAGBAFCORP-HBUONDEYSA-N
BMGC_DG02371,BMG_DG020841,COC1=CC=C(C=C1)CN=C=S,COc1ccc(CN=C=S)cc1,"InChI=1S/C9H9NOS/c1-11-9-4-2-8(3-5-9)6-10-7-12/h2-5H,6H2,1H3",IMFQYAJJXFXVMM-UHFFFAOYSA-N
BMGC_DG02372,BMG_DG020887,,N([C@@H](Cc1ccccc1)C)CC,,YAGBSNMZQKEFCO-SNVBAGLBSA-N
BMGC_DG02373,BMG_DG020889,C1=C(ONC1=O)C(C(=O)O)N,C(c1cc(=O)[nH]o1)(N)C(=O)O,"InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)",IRJCBFDCFXCWGO-UHFFFAOYSA-N
BMGC_DG02374,BMG_DG020913,,S(c1ccc(cc1)O)(=O)(=O)C,,KECCFSZFXLAGJS-UHFFFAOYSA-N
BMGC_DG02375,BMG_DG020914,[O-]Cl(=O)(=O)=O,Cl(=O)(=O)(=O)[O-],"InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1",VLTRZXGMWDSKGL-UHFFFAOYSA-M
BMGC_DG02376,BMG_DG020916,,O=C1Cc2ccccc2C1=O,,WFFZGYRTVIPBFN-UHFFFAOYSA-N
BMGC_DG02377,BMG_DG020944,CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C(=C2)OC)OC)OC,c1(cc(C(C#N)(C(C)C)CCCN(CCc2cc(c(cc2)OC)OC)C)cc(OC)c1OC)OC,"InChI=1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3",XQLWNAFCTODIRK-UHFFFAOYSA-N
BMGC_DG02378,BMG_DG020968,,c1ccc(cc1)[Se]Br,,LCEFEIBEOBPPSJ-UHFFFAOYSA-N
BMGC_DG02379,BMG_DG020994,,C(c1cc2ccccc2cc1)(=O)NN,,RARLPRMZJNIQGU-UHFFFAOYSA-N
BMGC_DG02380,BMG_DG021003,CC1C2CC3=C(C1(CCN2CC=C)C)C=C(C=C3)O,,"InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3",LGQCVMYAEFTEFN-UHFFFAOYSA-N
BMGC_DG02381,BMG_DG021014,,,,
BMGC_DG02382,BMG_DG021059,,c1cc(c(CC(=O)O)c(c1)F)F,,FUGDCKXBUZFEON-UHFFFAOYSA-N
BMGC_DG02383,BMG_DG021088,C[C@@]1([C@@H]2CC[C@@H](C2)C1(C)C)NC,N(C)[C@@]1(C)[C@H]2C[C@@H](C1(C)C)CC2,"InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11-/m0/s1",IMYZQPCYWPFTAG-NGZCFLSTSA-N
BMGC_DG02384,BMG_DG021107,CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC,C(N1CCC(c2ccccc2)(c3ccccc3)CC1)CCOC(C4=C(C)NC(C)=C(C(=O)OC)C4c5cccc([N+](=O)[O-])c5)=O,"InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3",SVJMLYUFVDMUHP-UHFFFAOYSA-N
BMGC_DG02385,BMG_DG021108,CC(C)(C)NC[C@@H](C1=CC(=C(C=C1)O)CO)O,c1(cc([C@H](CNC(C)(C)C)O)ccc1O)CO,"InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1",NDAUXUAQIAJITI-LBPRGKRZSA-N
BMGC_DG02386,BMG_DG021113,CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3,S(N1CCCC1)(Cc2cc3c(c[nH]c3cc2)CCN(C)C)(=O)=O,"InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3",WKEMJKQOLOHJLZ-UHFFFAOYSA-N
BMGC_DG02387,BMG_DG021118,C1CC2C(=O)NC(CSSCCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N,,"InChI=1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-2,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)",CZKPOZZJODAYPZ-UHFFFAOYSA-N
BMGC_DG02388,BMG_DG021121,C1CNCCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F,c1(n(c2ccccc2n1)Cc3ccc(cc3)F)NC4CCNCC4,"InChI=1S/C19H21FN4/c20-15-7-5-14(6-8-15)13-24-18-4-2-1-3-17(18)23-19(24)22-16-9-11-21-12-10-16/h1-8,16,21H,9-13H2,(H,22,23)",SFOVDSLXFUGAIV-UHFFFAOYSA-N
BMGC_DG02389,BMG_DG021122,CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C,S(c1ccc(-c2c(ncc(c2)Cl)-c3cnc(cc3)C)cc1)(=O)(=O)C,"InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3",MNJVRJDLRVPLFE-UHFFFAOYSA-N
BMGC_DG02390,BMG_DG021131,C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3,S1([C@]([C@H](C(=O)O)N2[C@]1(CC2=O)[H])(Cn3nncc3)C)(=O)=O,"InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1",LPQZKKCYTLCDGQ-WEDXCCLWSA-N
BMGC_DG02391,BMG_DG021132,COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4,c12c(ncnc1cc(OC)c(c2)OCCCN3CCOCC3)Nc4cc(c(F)cc4)Cl,"InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)",XGALLCVXEZPNRQ-UHFFFAOYSA-N
BMGC_DG02392,BMG_DG021134,CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O,,"InChI=1S/C22H28O3.C18H24O3.C18H24O2/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3;1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21;1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h1,13,17-20H,5-12H2,2-3H3;3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3;3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t17-,18+,19+,20-,21-,22-;13-,14-,15+,16-,17+,18+;14-,15-,16+,17+,18+/m011/s1",MPSOHXLZDRQABN-KOAPPJMKSA-N
BMGC_DG02393,BMG_DG021140,,N#Cc1ccc(Cn2ccnc2)cc1,,LUSFCTSUDCCYLQ-UHFFFAOYSA-N
BMGC_DG02394,BMG_DG021142,,c1(c(ccc(c1)S)[N+](=O)[O-])C(O)=O,,GANZODCWZFAEGN-UHFFFAOYSA-N
BMGC_DG02395,BMG_DG021149,CCCOC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2,,"InChI=1S/C15H14N2O2/c1-2-7-19-15(18)13-8-11-10-5-3-4-6-12(10)17-14(11)9-16-13/h3-6,8-9,17H,2,7H2,1H3",WGRVAGIQTHEEQW-UHFFFAOYSA-N
BMGC_DG02396,BMG_DG021168,CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCC4=CC(=CC=C4)I)O)O,O[C@@H]1[C@H](O)[C@@H](C(=O)NC)O[C@H]1n2cnc3c(ncnc32)NCc4cccc(I)c4,"InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1",HUJXGQILHAUCCV-MOROJQBDSA-N
BMGC_DG02397,BMG_DG021170,C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O,N(C(=O)Nc1ccccc1)CCNCC(COc2c(cccc2)C#N)O,"InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)",HTLWRKRZKFAAAH-UHFFFAOYSA-N
BMGC_DG02398,BMG_DG021175,C1CCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCCC4,c1cccc2sc(cc21)C3(CCCCC3)N4CCCCC4,"InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2",RGSVXQJPSWZXOP-UHFFFAOYSA-N
BMGC_DG02399,BMG_DG021191,,N[C@@H](Cc1ccc(cc1)O)C(=O)NCC(=O)NCC(O)=O,,HIINQLBHPIQYHN-JTQLQIEISA-N
BMGC_DG02400,BMG_DG021198,C1CCC(C1)[C@H](C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O,n1c2c(cccc2)ccc1COc3ccc([C@H](C(=O)O)C4CCCC4)cc3,"InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1",ZEYYDOLCHFETHQ-JOCHJYFZSA-N
BMGC_DG02401,BMG_DG021202,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OCCN)O)O,,"InChI=1S/C11H20N4O11P2/c12-2-4-23-27(19,20)26-28(21,22)24-5-6-8(16)9(17)10(25-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1",WVIMUEUQJFPNDK-PEBGCTIMSA-N
BMGC_DG02402,BMG_DG021206,C(CCCO)CCO,OCCCCCCO,"InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2",XXMIOPMDWAUFGU-UHFFFAOYSA-N
BMGC_DG02403,BMG_DG021209,C1=CC=C(C=C1)CC(CS)C(=O)NCCC(=O)O,,"InChI=1S/C13H17NO3S/c15-12(16)6-7-14-13(17)11(9-18)8-10-4-2-1-3-5-10/h1-5,11,18H,6-9H2,(H,14,17)(H,15,16)",ZCTDTVUDURCGFX-UHFFFAOYSA-N
BMGC_DG02404,BMG_DG021210,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C,,"InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1",IOIZWEJGGCZDOL-RQDYSCIWSA-N
BMGC_DG02405,BMG_DG021245,,N1(CCN(CC1)C)C2c3cc(Cl)ccc3Sc4ccccc4C2,,XRYLGRGAWQSVQW-UHFFFAOYSA-N
BMGC_DG02406,BMG_DG021248,C(O)(P(=O)(O)O)P(=O)(O)O.[99Tc],C(P(O)(=O)O)(P(O)(=O)O)O.[99Tc],"InChI=1S/CH6O7P2.Tc/c2-1(9(3,4)5)10(6,7)8;/h1-2H,(H2,3,4,5)(H2,6,7,8);/i;1+1",SIJNDWFHVBDXDY-IEOVAKBOSA-N
BMGC_DG02407,BMG_DG021251,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N,,"InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1",PVHLMTREZMEJCG-GDTLVBQBSA-N
BMGC_DG02408,BMG_DG021252,,N(c1c2c(n(cn2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nc(Cl)n1)C4CCCC4,,XSMYYYQVWPZWIZ-IDTAVKCVSA-N
BMGC_DG02409,BMG_DG021254,C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O.C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O,,"InChI=1S/C10H15N3O5.C9H11NO4/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16;10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,6,12,14-17H,3-4,11H2,(H,13,18);1-2,4,6,11-12H,3,10H2,(H,13,14)/t;6-/m.0/s1",QFLMOYQNYBDXMT-ZCMDIHMWSA-N
BMGC_DG02410,BMG_DG021256,C(C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)CN)CN=C(N)N,,"InChI=1S/C17H30N8O9/c18-5-11(27)23-8(2-1-3-21-17(19)20)14(31)22-6-12(28)24-9(4-13(29)30)15(32)25-10(7-26)16(33)34/h8-10,26H,1-7,18H2,(H,22,31)(H,23,27)(H,24,28)(H,25,32)(H,29,30)(H,33,34)(H4,19,20,21)/t8-,9-,10-/m0/s1",RGNVSYKVCGAEHK-GUBZILKMSA-N
BMGC_DG02411,BMG_DG021259,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)N,,"InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1",QSBGWDDCOJYQGY-KOQODJNWSA-N
BMGC_DG02412,BMG_DG021273,CN(C)C(=NCCC[C@@H](C(=O)O)N)N,C(=N)(N(C)C)NCCC[C@@H](C(=O)O)N,"InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1",YDGMGEXADBMOMJ-LURJTMIESA-N
BMGC_DG02413,BMG_DG021275,CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1O)OC)OC,,"InChI=1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3",WEQLWGNDNRARGE-UHFFFAOYSA-N
BMGC_DG02414,BMG_DG021281,C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN(C4=N)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(OP(=O)(O1)O)O)O)O)O)O,n12c3c(c(n(cn3)[C@@H]4O[C@H](COP(OP(OC[C@H]5O[C@@H]1[C@@H]([C@@H]5O)O)(O)=O)(O)=O)[C@H]([C@H]4O)O)=N)nc2,"InChI=1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H,25,26)(H,27,28)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1",BQOHYSXSASDCEA-KEOHHSTQSA-N
BMGC_DG02415,BMG_DG021295,C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)O,[H][C@@]1([C@@H](C)O)[C@H]([C@@H]([C@@H](N)[C@](O[C@H]2[C@@H]([C@H]([C@H](N)C[C@@H]2N)O[C@@]3([C@@H]([C@@H](NC)[C@@](CO3)(C)O)O)[H])O)([H])O1)O)O,"InChI=1S/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+/m1/s1",BRZYSWJRSDMWLG-DJWUNRQOSA-N
BMGC_DG02416,BMG_DG021299,C[N+](C)(C)NCCC(=O)[O-],C(CCN[N+](C)(C)C)([O-])=O,"InChI=1S/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,1-3H3",PVBQYTCFVWZSJK-UHFFFAOYSA-N
BMGC_DG02417,BMG_DG021304,C1=C(C(=CC(=O)C1=O)O)C[C@@H](C(=O)O)N,C1(=CC(C(C=C1O)=O)=O)C[C@@H](C(=O)O)N,"InChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,11H,1,10H2,(H,14,15)/t5-/m0/s1",YWRFBISQAMHSIX-YFKPBYRVSA-N
BMGC_DG02418,BMG_DG021308,C1CC2=C(C[C@@H]1NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2CCC(=O)O,S(N[C@@H]1CCc2c(c3c(n2CCC(O)=O)cccc3)C1)(c4ccc(cc4)F)(=O)=O,"InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1",LDXDSHIEDAPSSA-OAHLLOKOSA-N
BMGC_DG02419,BMG_DG021314,,C(c1c2c([nH]c1)cccc2)[C@H]3NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(=O)N4CCN(CC4)c5ccccc5)NC(=O)[C@@H](CC(O)=O)NC3=O)c6cccs6,,HAHANBGRLRTDGL-HKJVWEGHSA-N
BMGC_DG02420,BMG_DG021322,C(C[C@@H](C(=O)O)N)CN=C(N)NO,N[C@@H](CCCNC(=N)NO)C(O)=O,"InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1",FQWRAVYMZULPNK-BYPYZUCNSA-N
BMGC_DG02421,BMG_DG021331,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,O(P(=O)(O)O)[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1",HXXFSFRBOHSIMQ-FPRJBGLDSA-N
BMGC_DG02422,BMG_DG021332,,C([C@@H](NC(=O)CN)CCC(=O)N)(=O)O,,PNMUAGGSDZXTHX-BYPYZUCNSA-N
BMGC_DG02423,BMG_DG021336,C1C(C(C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O,,"InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2",HVDGDHBAMCBBLR-UHFFFAOYSA-N
BMGC_DG02424,BMG_DG021340,C1CNCC2=C1C=CC(=C2Cl)Cl,c12c(ccc(c1Cl)Cl)CCNC2,"InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2",WFPUBEDBBOGGIQ-UHFFFAOYSA-N
BMGC_DG02425,BMG_DG021342,,CCN(CC)C(=O)c1ccc(cc1)[C@@H](N2C[C@@H](C)N(CC=C)C[C@@H]2C)c3cccc(c3)OC,,KQWVAUSXZDRQPZ-UMTXDNHDSA-N
BMGC_DG02426,BMG_DG021351,C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)N,C(N[C@H](C(=O)O)CCC(=O)N)(=O)[C@@H](N)C,"InChI=1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1",HJCMDXDYPOUFDY-WHFBIAKZSA-N
BMGC_DG02427,BMG_DG021353,C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N,[C@H](C(=O)O)(NC(=O)CC[C@@H](C(=O)O)N)CS,"InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1",RITKHVBHSGLULN-WHFBIAKZSA-N
BMGC_DG02428,BMG_DG021356,,n1ccc(Nc2ccc(cc2)C=3CCC(NN3)=O)cc1,,XEBRQQXYWHMEQW-UHFFFAOYSA-N
BMGC_DG02429,BMG_DG021357,,O=C(O)c1cc2ccccc2sc1=O,,CIMFYGICTNZOPT-UHFFFAOYSA-N
BMGC_DG02430,BMG_DG021367,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC(=C3O2)CC(=O)O)C,c12c(c(=O)c3c(o1)c(CC(=O)O)ccc3)ccc(c2C)C,"InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19)",XGOYIMQSIKSOBS-UHFFFAOYSA-N
BMGC_DG02431,BMG_DG021368,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)CO)O)O)O)O,[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(O[C@H]2[C@@H]([C@H]([C@@H](O[C@]3([C@@H]([C@H]([C@@H](O[C@@]([C@@H]([C@H](C=O)O)O)([C@H](O)CO)[H])O[C@@H]3CO)O)O)[H])O[C@@H]2CO)O)O)[H],"InChI=1S/C24H42O21/c25-1-6(30)11(32)19(7(31)2-26)43-23-17(38)14(35)21(9(4-28)41-23)45-24-18(39)15(36)20(10(5-29)42-24)44-22-16(37)13(34)12(33)8(3-27)40-22/h1,6-24,26-39H,2-5H2/t6-,7+,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+/m0/s1",UYQJCPNSAVWAFU-KVXMBEGHSA-N
BMGC_DG02432,BMG_DG021373,,,,
BMGC_DG02433,BMG_DG021374,C[C@H](CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)CO,[C@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC1)[H])(CC[C@H](O)C4)C)[H])(CC[C@@]2([C@@H](CCC[C@H](CO)C)C)[H])[H])C,"InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",FYHRJWMENCALJY-YSQMORBQSA-N
BMGC_DG02434,BMG_DG021377,CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C,c1(c(c(CCC(=O)O)oc1CCC)C(=O)O)C,"InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)",WMCQWXZMVIETAO-UHFFFAOYSA-N
BMGC_DG02435,BMG_DG021380,CN1CCC2=C(CC1)C(=CC=C2)Cl,c12CCN(C)CCc1cccc2Cl,"InChI=1S/C11H14ClN/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13/h2-4H,5-8H2,1H3",RSRUDTPYRBLHEO-UHFFFAOYSA-N
BMGC_DG02436,BMG_DG021381,C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)CC(=O)NO,C(N[C@H](C(=O)O)C)([C@@H](CC(=O)NO)Cc1ccccc1)=O,"InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1",OJCFZTVYDSKXNM-GXSJLCMTSA-N
BMGC_DG02437,BMG_DG021384,CC(C)C[C@@H](C(=O)NCCCCN=C(N)N)NC(=O)[C@@H]1[C@H](O1)C(=O)O,[C@H]1([C@@H](C(=O)O)O1)C(N[C@H](C(=O)NCCCCNC(=N)N)CC(C)C)=O,"InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1",LTLYEAJONXGNFG-DCAQKATOSA-N
BMGC_DG02438,BMG_DG021388,C[N+](C)(C)CCOC(=O)CCCCCCC(=O)OCC[N+](C)(C)C,,"InChI=1S/C18H38N2O4/c1-19(2,3)13-15-23-17(21)11-9-7-8-10-12-18(22)24-16-14-20(4,5)6/h7-16H2,1-6H3/q+2",FUORNAZLBFNKKX-UHFFFAOYSA-N
BMGC_DG02439,BMG_DG021389,C=C(C(=O)O)N,C(C(=C)N)(=O)O,"InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)",UQBOJOOOTLPNST-UHFFFAOYSA-N
BMGC_DG02440,BMG_DG021399,CCCN(CCC1=CC=CC=C1)C2CCC3=C(C2)C=CC=C3O,,"InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3",DEYFWGXTPWNADC-UHFFFAOYSA-N
BMGC_DG02441,BMG_DG021401,C1CNCC=C1C2=CNC3=C2NC(=O)C=C3,c12c(C=3CCNCC3)c[nH]c1ccc([nH]2)=O,"InChI=1S/C12H13N3O/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8/h1-3,7,13-14H,4-6H2,(H,15,16)",PJYVGMRFPFNZCT-UHFFFAOYSA-N
BMGC_DG02442,BMG_DG021407,C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O,,"InChI=1S/C44H34O20/c45-19-11-26(51)34-32(12-19)61-40(16-2-4-22(47)25(50)6-16)42(64-44(60)18-9-30(55)38(58)31(56)10-18)36(34)35-27(52)14-23(48)20-13-33(62-43(59)17-7-28(53)37(57)29(54)8-17)39(63-41(20)35)15-1-3-21(46)24(49)5-15/h1-12,14,33,36,39-40,42,45-58H,13H2/t33-,36-,39-,40-,42-/m1/s1",KTLUHRSHFRODPS-RIQPQZJCSA-N
BMGC_DG02443,BMG_DG021411,C1=C(C=C(C(=C1O)O)O)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,[C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC(c2cc(c(c(c2)O)O)O)=O,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",GDVRUDXLQBVIKP-HQHREHCSSA-N
BMGC_DG02444,BMG_DG021438,CC(=O)NC1C(C[C@](OC1C(C(CO)O)O)(C(=O)O)O)O,,"InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5?,6?,7?,8?,9?,11-/m0/s1",SQVRNKJHWKZAKO-RASJKGJYSA-N
BMGC_DG02445,BMG_DG021447,CC1(C=CC2=C(O1)C=CC3=C2OC[C@H](C3)C4=C(C=C(C=C4)O)O)C,C=1C(Oc2c(C1)c3c(cc2)C[C@@H](CO3)c4ccc(cc4O)O)(C)C,"InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1",LBQIJVLKGVZRIW-ZDUSSCGKSA-N
BMGC_DG02446,BMG_DG021456,COC1=C(C=CC(=C1)CCC(=O)CC(=O)CCC2=CC(=C(C=C2)O)OC)O,c1(c(ccc(c1)CCC(CC(=O)CCc2cc(OC)c(cc2)O)=O)O)OC,"InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3",LBTVHXHERHESKG-UHFFFAOYSA-N
BMGC_DG02447,BMG_DG021458,CN1C(=O)C=C(C2=C1C3=C(C=C2)OCO3)OC,Cn1c(=O)cc(OC)c2ccc3OCOc3c21,"InChI=1S/C12H11NO4/c1-13-10(14)5-9(15-2)7-3-4-8-12(11(7)13)17-6-16-8/h3-5H,6H2,1-2H3",DPXXJCMMMXZVSW-UHFFFAOYSA-N
BMGC_DG02448,BMG_DG021472,,O(C(C)=O)[C@@H]1[C@]23[C@@]4([C@](OC)([C@]1(C(=O)c5c2c(C(=O)OC3)c(O)cc5C)[H])c6c7c(C4=O)coc(=O)c7c(O)cc6C)[H],,WBQDAYWQELBEPU-FKKRYKJISA-N
BMGC_DG02449,BMG_DG021521,COC(=O)OCOC1=C2C(=O)N3CCOC[C@H]3N(N2C=CC1=O)[C@H]4C5=C(CSC6=CC=CC=C46)C(=C(C=C5)F)F,c1cn2c(c(c1=O)OCOC(OC)=O)C(N3[C@](N2[C@@H]4c5c(SCc6c4ccc(c6F)F)cccc5)(COCC3)[H])=O,"InChI=1S/C27H23F2N3O7S/c1-36-27(35)39-14-38-25-19(33)8-9-31-24(25)26(34)30-10-11-37-12-21(30)32(31)23-15-6-7-18(28)22(29)17(15)13-40-20-5-3-2-4-16(20)23/h2-9,21,23H,10-14H2,1H3/t21-,23+/m1/s1",RZVPBGBYGMDSBG-GGAORHGYSA-N
BMGC_DG02450,BMG_DG021524,CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)OP(=O)(O)O,c12c(c(=O)cc(o1)-c3c(Cl)cccc3)c(cc(c2[C@@H]4[C@@H](CN(CC4)C)O)OP(O)(=O)O)O,"InChI=1S/C21H21ClNO8P/c1-23-7-6-12(16(26)10-23)19-18(31-32(27,28)29)9-15(25)20-14(24)8-17(30-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,16,25-26H,6-7,10H2,1H3,(H2,27,28,29)/t12-,16+/m0/s1",YRNFLVUMZIRYKY-BLLLJJGKSA-N
BMGC_DG02451,BMG_DG021527,C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4,C1(c2c(cc(cc2)Cl)CCc3c1nccc3)=C4CCNCC4,"InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2",JAUOIFJMECXRGI-UHFFFAOYSA-N
BMGC_DG02452,BMG_DG021536,C[C@@H]1C2=C(CN1)C=C(C=C2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC(F)F,C1CC1n2c3c(c(c(c2)C(O)=O)=O)ccc(-c4ccc5c(CN[C@@H]5C)c4)c3OC(F)F,"InChI=1S/C23H20F2N2O4/c1-11-15-5-2-12(8-13(15)9-26-11)16-6-7-17-19(21(16)31-23(24)25)27(14-3-4-14)10-18(20(17)28)22(29)30/h2,5-8,10-11,14,23,26H,3-4,9H2,1H3,(H,29,30)/t11-/m1/s1",NJDRXTDGYFKORP-LLVKDONJSA-N
BMGC_DG02453,BMG_DG021545,C=CCN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O,N1(CC(c2c(CC1)cc(c(c2)O)O)c3ccccc3)CC=C,"InChI=1S/C19H21NO2/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14/h2-7,11-12,17,21-22H,1,8-10,13H2",QBUVZVXIRYFENV-UHFFFAOYSA-N
BMGC_DG02454,BMG_DG021550,C[C@@H](CNC(=O)C1=C(C=C(C=N1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)N)O,S(=O)(=O)(c1cnc(c(N)c1)C(NC[C@H](C)O)=O)c2ccc(OC(F)(F)F)cc2,"InChI=1S/C16H16F3N3O5S/c1-9(23)7-22-15(24)14-13(20)6-12(8-21-14)28(25,26)11-4-2-10(3-5-11)27-16(17,18)19/h2-6,8-9,23H,7,20H2,1H3,(H,22,24)/t9-/m0/s1",UMOGNCVNHXWFIX-VIFPVBQESA-N
BMGC_DG02455,BMG_DG021555,C=CC(=O)N1CCC[C@H](C1)N2C3=C(C(=NC=C3)N)N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5,n1ccc2c(c1N)n(c(n2[C@H]3CN(CCC3)C(=O)C=C)=O)-c4ccc(cc4)Oc5ccccc5,"InChI=1S/C26H25N5O3/c1-2-23(32)29-16-6-7-19(17-29)30-22-14-15-28-25(27)24(22)31(26(30)33)18-10-12-21(13-11-18)34-20-8-4-3-5-9-20/h2-5,8-15,19H,1,6-7,16-17H2,(H2,27,28)/t19-/m1/s1",KOEUOFPEZFUWRF-LJQANCHMSA-N
BMGC_DG02456,BMG_DG021560,CCOC1=C(C(=CC=C1)F)C#CC2=CN(C3=NC=NC(=C23)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNS(=O)(=O)N)O)O,,"InChI=1S/C21H23FN6O6S/c1-2-33-14-5-3-4-13(22)12(14)7-6-11-9-28(20-16(11)19(23)25-10-26-20)21-18(30)17(29)15(34-21)8-27-35(24,31)32/h3-5,9-10,15,17-18,21,27,29-30H,2,8H2,1H3,(H2,23,25,26)(H2,24,31,32)/t15-,17-,18-,21-/m1/s1",TZTRUHFXPVXWRD-QTQZEZTPSA-N
BMGC_DG02457,BMG_DG021562,CC1=CN=C(N=C1N2C=C(N=C2)C(=O)N[C@H](CN)C3=CC(=CC(=C3)Cl)F)NC4CCOCC4,,"InChI=1S/C22H25ClFN7O2/c1-13-10-26-22(28-17-2-4-33-5-3-17)30-20(13)31-11-19(27-12-31)21(32)29-18(9-25)14-6-15(23)8-16(24)7-14/h6-8,10-12,17-18H,2-5,9,25H2,1H3,(H,29,32)(H,26,28,30)/t18-/m1/s1",PWHIUQBBGPGFFV-GOSISDBHSA-N
BMGC_DG02458,BMG_DG021565,,,,
BMGC_DG02459,BMG_DG021566,CC(C)(C[C@H]1CN(C2=C(O1)C=CC(=C2)C3=CC(=CC(=C3)F)OC(F)F)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C(=O)O,c1(cc2c(cc1)O[C@H](CN2S(c3cc(ccc3)C(F)(F)F)(=O)=O)CC(C(O)=O)(C)C)-c4cc(cc(c4)F)OC(F)F,"InChI=1S/C27H23F6NO6S/c1-26(2,24(35)36)13-20-14-34(41(37,38)21-5-3-4-17(11-21)27(31,32)33)22-10-15(6-7-23(22)39-20)16-8-18(28)12-19(9-16)40-25(29)30/h3-12,20,25H,13-14H2,1-2H3,(H,35,36)/t20-/m0/s1",GULSIMHVQYBADX-FQEVSTJZSA-N
BMGC_DG02460,BMG_DG021578,,N=C1c2c(cc(s2)-c3ccccc3)C(=O)NC1=O,,CQHAROORCYWRRH-UHFFFAOYSA-N
BMGC_DG02461,BMG_DG021587,CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)NC2=NC=C(C(=C2)C3=C4CC(CN4N=C3)(C)C)Cl,c12c(cnn1CC(C2)(C)C)-c3c(cnc(c3)NC(=O)[C@@H]4C[C@H](NC(C)=O)CCC4)Cl,"InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1",AVIWDYSJSPOOAR-LSDHHAIUSA-N
BMGC_DG02462,BMG_DG021592,,COc1ccc(cc1)/C=C\2/C(=O)NC(=S)S2,,ORGCJYCWFZQEFX-TWGQIWQCSA-N
BMGC_DG02463,BMG_DG021600,C[C@@H](C(=O)N)NC1=CC2=C(C=C1)C3=NC(=CN3CCO2)N4[C@@H](COC4=O)C(F)F,C([C@H](C)Nc1cc2c(-c3n(CCO2)cc(n3)N4C(OC[C@H]4C(F)F)=O)cc1)(=O)N,"InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1",SGEUNORSOZVTOL-CABZTGNLSA-N
BMGC_DG02464,BMG_DG021608,,n1c(c(c(-c2cnc(N)nc2)nc1N3CCOCC3)F)N[C@]4(CO)CN(C(=O)OCC(F)F)CC4,,RTOREZYNLPQUKM-FQEVSTJZSA-N
BMGC_DG02465,BMG_DG021611,C1CNCC(C2=CC(=C(C=C21)O)O)C3=CC=CC=C3,Oc1cc2C(CNCCc2cc1O)c3ccccc3,"InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2",JUDKOGFHZYMDMF-UHFFFAOYSA-N
BMGC_DG02466,BMG_DG021680,,c1(OC)c(OC)c(c2c(cc(oc2c1OC)-c3c(cccc3OC)O)=O)O,,GMQFOKBGMKVUQZ-UHFFFAOYSA-N
BMGC_DG02467,BMG_DG021734,C[C@@H]1CN(C[C@H]1C2=CN3C(=CN=C3C4CCOCC4)C(=O)N2)CC5=NC=CC=N5,c12c([nH]c(cn1c(nc2)C3CCOCC3)[C@@H]4CN(C[C@H]4C)Cc5ncccn5)=O,"InChI=1S/C21H26N6O2/c1-14-10-26(13-19-22-5-2-6-23-19)11-16(14)17-12-27-18(21(28)25-17)9-24-20(27)15-3-7-29-8-4-15/h2,5-6,9,12,14-16H,3-4,7-8,10-11,13H2,1H3,(H,25,28)/t14-,16-/m1/s1",GWGNPYYVGANHRJ-GDBMZVCRSA-N
BMGC_DG02468,BMG_DG021744,C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)O.[64Cu+2],O[C@H](C)[C@](NC(=O)[C@@H]1CSSC[C@@H](C(N[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc32)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1)[C@H](O)C)Cc4ccc(O)cc4)=O)NC(=O)[C@H](NC(CN5CCN(CC(=O)[O-])CCN(CC(=O)O)CCN(CC(=O)[O-])CC5)=O)Cc6ccccc6)(C(O)=O)[H].[64Cu+2],"InChI=1S/C65H90N14O19S2.Cu/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66;/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98);/q;+2/p-2/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+;/m1./s1/i;1+0",IJRLLVFQGCCPPI-NVGRTJHCSA-L
BMGC_DG02469,BMG_DG021763,CC1N2C3=CC(=C(C=C3C(=O)C(=C2S1)C(=O)O)F)N4CCNCC4,N1CCN(CC1)c2c(cc3c(c(c4n(c3c2)C(S4)C)C(=O)O)=O)F,"InChI=1S/C16H16FN3O3S/c1-8-20-11-7-12(19-4-2-18-3-5-19)10(17)6-9(11)14(21)13(16(22)23)15(20)24-8/h6-8,18H,2-5H2,1H3,(H,22,23)",SUXQDLLXIBLQHW-UHFFFAOYSA-N
BMGC_DG02470,BMG_DG021773,CS(=O)(=O)NC1=C(C=C2C(=C1)OC=C(C2=O)NC=O)OC3=CC=CC=C3,c1(c(cc2c(c1)occ(c2=O)NC=O)Oc3ccccc3)NS(C)(=O)=O,"InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20)",ANMATWQYLIFGOK-UHFFFAOYSA-N
BMGC_DG02471,BMG_DG021787,CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)Br,c12C(CN(C)CCc1cc(c(c2)O)Br)c3ccccc3,"InChI=1S/C17H18BrNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3",XFTVOHWWEQGXLS-UHFFFAOYSA-N
BMGC_DG02472,BMG_DG021850,,c-12c3[C@](Cc4c1c(c(OC)cc4)O)(N(CCc3cc5c2OCO5)C)[H],,LODGIKWNLDQZBM-LBPRGKRZSA-N
BMGC_DG02473,BMG_DG021892,,O[C@]12N[C@H](CC1)[C@H](O)[C@@H](O)[C@@H]2O,,FXFBVZOJVHCEDO-IBISWUOJSA-N
BMGC_DG02474,BMG_DG021948,CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.OS(=O)(=O)[O-],S(O)([O-])(=O)=O.C/1(=C(\c2ccc(cc2)N(CC)CC)/c3ccccc3)\C=CC(=[N+](CC)CC)C=C1,"InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1",NNBFNNNWANBMTI-UHFFFAOYSA-M
BMGC_DG02475,BMG_DG021953,COC1=C(C=CC(=C1)C(C(=O)O)O)O,COc1c(ccc(C(O)C(=O)O)c1)O,"InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)",CGQCWMIAEPEHNQ-UHFFFAOYSA-N
BMGC_DG02476,BMG_DG021980,,C[C@]12CCC(=O)C=C1C=C[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@@]32[H],,YEWSFUFGMDJFFG-QAGGRKNESA-N
BMGC_DG02477,BMG_DG021998,COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-],[n+]12c(-c3cc4OCOc4cc3CC1)cc5c(c2)c(c(OC)cc5)OC.[Cl-],"InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1",VKJGBAJNNALVAV-UHFFFAOYSA-M
BMGC_DG02478,BMG_DG022025,,c1(/C=C/c2ccccc2)ccc(OC)cc1,,XWYXLYCDZKRCAD-BQYQJAHWSA-N
BMGC_DG02479,BMG_DG022026,CC1C(OCCN1C)C2=CC=CC=C2,,"InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3",MFOCDFTXLCYLKU-UHFFFAOYSA-N
BMGC_DG02480,BMG_DG022055,C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC(=O)[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)CO)O,[C@]12([C@@]3([C@]([C@]4([C@@]([C@](C(=O)CO)(O)CC4)(CC3=O)C)[H])(C[C@@H](C1=CC(C=C2)=O)C)[H])[H])C,"InChI=1S/C22H28O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,19,23,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,19+,20-,21-,22-/m0/s1",SVYCRJXQZUCUND-PQXSVQADSA-N
BMGC_DG02481,BMG_DG022082,,N(C(c1nccnc1)=O)C(=N)N,,WNBSDCKJFDZMHT-UHFFFAOYSA-N
BMGC_DG02482,BMG_DG022091,C1=CNC(=C1)C(=O)O,c1(C(O)=O)ccc[nH]1,"InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)",WRHZVMBBRYBTKZ-UHFFFAOYSA-N
BMGC_DG02483,BMG_DG022109,,c1(c(ccc(c1)Cl)N)C(O)=O,,IFXKXCLVKQVVDI-UHFFFAOYSA-N
BMGC_DG02484,BMG_DG022117,,c1(c(OC(C)=O)cccc1)OC(C)=O,,FBSAITBEAPNWJG-UHFFFAOYSA-N
BMGC_DG02485,BMG_DG022118,,n1(-c2ccccc2)cccc1,,GEZGAZKEOUKLBR-UHFFFAOYSA-N
BMGC_DG02486,BMG_DG022124,,c1(c(ccc(c1)Cl)O)C=O,,FUGKCSRLAQKUHG-UHFFFAOYSA-N
BMGC_DG02487,BMG_DG022128,,C[C@]1([C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)OP(=O)(O)O,,QZBAZODTRUGOQS-XUUWZHRGSA-N
BMGC_DG02488,BMG_DG022153,C1=CC=C(C=C1)CCCCN=C=S,,"InChI=1S/C11H13NS/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2",CCBQOLFAKKAMLD-UHFFFAOYSA-N
BMGC_DG02489,BMG_DG022155,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,[C@H](C(NCC(=O)O)=O)(NC(=O)CC[C@@H](C(=O)O)N)CS,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",RWSXRVCMGQZWBV-WDSKDSINSA-N
BMGC_DG02490,BMG_DG022169,C[C@@H]1CCC[C@@H](N1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C,S(c1cc(C(NN2[C@H](CCC[C@H]2C)C)=O)ccc1Cl)(=O)(=O)N,"InChI=1S/C14H20ClN3O3S/c1-9-4-3-5-10(2)18(9)17-14(19)11-6-7-12(15)13(8-11)22(16,20)21/h6-10H,3-5H2,1-2H3,(H,17,19)(H2,16,20,21)/t9-,10+",LBXHRAWDUMTPSE-AOOOYVTPSA-N
BMGC_DG02491,BMG_DG022195,,,,
BMGC_DG02492,BMG_DG022209,,,,
BMGC_DG02493,BMG_DG022210,C1=CC(=CC=C1CO)O,c1(ccc(O)cc1)CO,"InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2",BVJSUAQZOZWCKN-UHFFFAOYSA-N
BMGC_DG02494,BMG_DG022212,CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O,C(CN(C)C)(C1(O)CCCCC1)c2ccc(cc2)O,"InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3",KYYIDSXMWOZKMP-UHFFFAOYSA-N
BMGC_DG02495,BMG_DG022227,CCC(C)OC(=O)N1CCCCC1CCO,C1CN(C(CC1)CCO)C(OC(CC)C)=O,"InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3",QLHULAHOXSSASE-UHFFFAOYSA-N
BMGC_DG02496,BMG_DG022229,C1C(C(=O)C2=CC(=C(C=C2O1)O)O)C3=CC=C(C=C3)O,,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-6,11,16-18H,7H2",ZAIJTQZQMCNJHG-UHFFFAOYSA-N
BMGC_DG02497,BMG_DG022243,,OCC(CO)(CO)NCCCNC(CO)(CO)CO,,HHKZCCWKTZRCCL-UHFFFAOYSA-N
BMGC_DG02498,BMG_DG022351,CCCCCCCCCCCCC(=O)O,C(CCCCCCCCC)CCC(O)=O,"InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)",SZHOJFHSIKHZHA-UHFFFAOYSA-N
BMGC_DG02499,BMG_DG022372,,C12(c3c(cccc3)CCC1)CCN(Cc4ccccc4)CC2,,MLDCBJPLHBPJET-UHFFFAOYSA-N
BMGC_DG02500,BMG_DG022437,CC1CCC(C(C1)O)C(C)C,,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",NOOLISFMXDJSKH-UHFFFAOYSA-N
BMGC_DG02501,BMG_DG022454,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,[C@@]12([C@]3([C@@]([C@@]4([C@@](C[C@H](O)CC4)(C[C@H]3O)[H])C)(CC[C@@]1([C@@]([C@@H](CCC(NCC(O)=O)=O)C)(CC2)[H])C)[H])[H])[H],"InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1",GHCZAUBVMUEKKP-GYPHWSFCSA-N
BMGC_DG02502,BMG_DG022461,CCOC(=O)[C@]1(CCC=C[C@@H]1N(C)C)C2=CC=CC=C2,[C@]1([C@H](C=CCC1)N(C)C)(c2ccccc2)C(OCC)=O,"InChI=1S/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3/t15-,17+/m0/s1",WDEFBBTXULIOBB-DOTOQJQBSA-N
BMGC_DG02503,BMG_DG022485,C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O,OC([C@H]1CCCN1C(=O)CCCCC(N2CCC[C@@H]2C(O)=O)=O)=O,"InChI=1S/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/t11-,12-/m1/s1",HZLAWYIBLZNRFZ-VXGBXAGGSA-N
BMGC_DG02504,BMG_DG022496,CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3,n1(nc(OCCCN(C)C)c2c1cccc2)Cc3ccccc3,"InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3",CNBGNNVCVSKAQZ-UHFFFAOYSA-N
BMGC_DG02505,BMG_DG022500,CCN1CCN(CC1)C2=NC3=C(CCCCCC3)C(=C2)C4=CC=C(C=C4)F,c1(nc2CCCCCCc2c(c1)-c3ccc(cc3)F)N4CCN(CC4)CC,"InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3",XVGOZDAJGBALKS-UHFFFAOYSA-N
BMGC_DG02506,BMG_DG022504,CCCCCCCCCCCCCCCCCC(=O)O.CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,[C@]1(O[C@@H](C[C@H](N(C)C)[C@H]1O)C)([H])O[C@@H]2[C@@H](C)[C@H](O[C@]3(C[C@](OC)(C)[C@H]([C@@H](O3)C)O)[H])[C@@H](C)C(=O)O[C@H](CC)[C@](O)(C)[C@H](O)[C@@H](C)C(=O)[C@@H](C[C@]2(O)C)C.C(=O)(O)CCCCCCCCCCCCCCCCC,"InChI=1S/C37H67NO13.C18H36O2/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-17H2,1H3,(H,19,20)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;/m1./s1",YAVZHCFFUATPRK-YZPBMOCRSA-N
BMGC_DG02507,BMG_DG022507,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,[C@]1([C@@H]([C@@H](N(C)C)C[C@H](O1)C)O)(O[C@@H]2[C@H]([C@@H]([C@H](C(O[C@H](CC)[C@]([C@@H]([C@H](C([C@@H](C[C@]2(O)C)C)=O)C)O)(O)C)=O)C)O[C@]3(C[C@](OC)(C)[C@H]([C@@H](O3)C)O)[H])C)[H],"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",ULGZDMOVFRHVEP-RWJQBGPGSA-N
BMGC_DG02508,BMG_DG022510,,O1[C@H]2[C@@H]1c3c(cccc3)-c4c2c(c5c(c4C)cccc5)C,,HVGNLIKFFBYBQM-VQTJNVASSA-N
BMGC_DG02509,BMG_DG022518,CC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=N4,Cc1n2-c3c(C(=NCc2nn1)c4ccccn4)cc(cc3)Br,"InChI=1S/C16H12BrN5/c1-10-20-21-15-9-19-16(13-4-2-3-7-18-13)12-8-11(17)5-6-14(12)22(10)15/h2-8H,9H2,1H3",BGRWSFIQQPVEML-UHFFFAOYSA-N
BMGC_DG02510,BMG_DG022519,,c1c2-n3c(C)nnc3CN=C(c4ccccc4)c2cc(Br)c1,,KCEIOBKDDQAYCM-UHFFFAOYSA-N
BMGC_DG02511,BMG_DG022590,,[C@H]1([C@]2([C@@]3(C=CC(c4c(ccc(-c5ccc(c(C(C1)=O)c25)O)c34)O)=O)O)[H])O,,MTOHOIPTYJIUCH-KPOBHBOGSA-N
BMGC_DG02512,BMG_DG022594,CC(C)CCC(=O)O,CC(CCC(O)=O)C,"InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)",FGKJLKRYENPLQH-UHFFFAOYSA-N
BMGC_DG02513,BMG_DG022602,,C(Nc1c(cc(cc1)F)F)(N(Cc2ccc(CC(C)(C)C)cc2)CCCCCCC)=O,,QKJLDOBXDUVGEE-UHFFFAOYSA-N
BMGC_DG02514,BMG_DG022613,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C,[C@@]12(C(=CC[C@]3([C@@]4(CCC([C@]4(CC[C@]13[H])C)=O)[H])[H])C[C@@H](OS(=O)(=O)O)CC2)C,"InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1",CZWCKYRVOZZJNM-USOAJAOKSA-N
BMGC_DG02515,BMG_DG022623,C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O)O,[C@@]12([C@](OC[C@H]1O)([C@@H](O)CO2)[H])[H],"InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1",KLDXJTOLSGUMSJ-JGWLITMVSA-N
BMGC_DG02516,BMG_DG022626,CCCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C,N1(c2c(ccc(c2)C(=O)CCC)Sc3c1cccc3)CCCN4CCN(CC4)C,"InChI=1S/C24H31N3OS/c1-3-7-22(28)19-10-11-24-21(18-19)27(20-8-4-5-9-23(20)29-24)13-6-12-26-16-14-25(2)15-17-26/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3",DVLBYTMYSMAKHP-UHFFFAOYSA-N
BMGC_DG02517,BMG_DG022652,,S(c1cc(C(NN2c3c(cccc3)C[C@@H]2C)=O)ccc1Cl)(=O)(=O)N,,NDDAHWYSQHTHNT-JTQLQIEISA-N
BMGC_DG02518,BMG_DG022653,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)O,n1(c2c(c(ncn2)N)nc1)[C@@H]3O[C@H](COP(O)(O)=O)[C@H](C3)O,"InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1",KHWCHTKSEGGWEX-RRKCRQDMSA-N
BMGC_DG02519,BMG_DG022654,C1=CC(=CC=C1C=O)O,c1c(ccc(c1)C=O)O,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",RGHHSNMVTDWUBI-UHFFFAOYSA-N
BMGC_DG02520,BMG_DG022669,CCN(CC)CCC1=C(C2=C(C=C(C=C2)OCC(=O)OCC)OC1=O)C,O(CC(OCC)=O)c1cc2c(c(c(CCN(CC)CC)c(o2)=O)C)cc1,"InChI=1S/C20H27NO5/c1-5-21(6-2)11-10-17-14(4)16-9-8-15(12-18(16)26-20(17)23)25-13-19(22)24-7-3/h8-9,12H,5-7,10-11,13H2,1-4H3",KLOIYEQEVSIOOO-UHFFFAOYSA-N
BMGC_DG02521,BMG_DG022670,CC1=NCC[C@H](N1)C(=O)O,C1N=C(N[C@@H](C1)C(=O)O)C,"InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1",WQXNXVUDBPYKBA-YFKPBYRVSA-N
BMGC_DG02522,BMG_DG022676,,,,
BMGC_DG02523,BMG_DG022688,,c1c(ccc([C@H]([C@H](N2CCC(CC2)Cc3ccccc3)C)O)c1)O,,UYNVMODNBIQBMV-IERDGZPVSA-N
BMGC_DG02524,BMG_DG022689,C1C[C@H](N(C1)N=O)C2=CN=CC=C2,c1ncccc1[C@H]2N(CCC2)N=O,"InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2/t9-/m0/s1",XKABJYQDMJTNGQ-VIFPVBQESA-N
BMGC_DG02525,BMG_DG022694,C1C[C@H]2C(=O)NCC(=O)N2C1,O=C1CNC(=O)[C@@]2(CCCN12)[H],"InChI=1S/C7H10N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h5H,1-4H2,(H,8,11)/t5-/m0/s1",OWOHLURDBZHNGG-YFKPBYRVSA-N
BMGC_DG02526,BMG_DG022711,CCCCCCCCCCCCCCCCCCCCCCO,OCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3",NOPFSRXAKWQILS-UHFFFAOYSA-N
BMGC_DG02527,BMG_DG022739,,c1(c(cc(Br)c(c1)OC)OC)C[C@@H](C)N,,FXMWUTGUCAKGQL-SSDOTTSWSA-N
BMGC_DG02528,BMG_DG022746,,c1cc2[C@H](NC)C[C@@H](c3ccc(c(c3)Cl)Cl)c2cc1,,SVFXPTLYMIXFRX-XJKSGUPXSA-N
BMGC_DG02529,BMG_DG022782,,C(CN(CCN1CCCC1)C)c2cc(Cl)c(Cl)cc2,,ASGIQUHBAVIOTI-UHFFFAOYSA-N
BMGC_DG02530,BMG_DG022786,,C(OCCN1CCOCC1)(=O)C2(CCCCC2)c3ccccc3,,RQHKZUBCUZVZEF-UHFFFAOYSA-N
BMGC_DG02531,BMG_DG022793,C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)C(=N)N)C(=N)N,c1cc(ccc1C(N)=N)-c2oc(cc2)-c3ccc(cc3)C(N)=N,"InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)",ZJHZBDRZEZEDGB-UHFFFAOYSA-N
BMGC_DG02532,BMG_DG022868,C(CO)[C@@H](C(=O)O)N,[C@H](CCO)(C(O)=O)N,"InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1",UKAUYVFTDYCKQA-VKHMYHEASA-N
BMGC_DG02533,BMG_DG022902,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(=O)C)(COCCC(=O)NCCCNC(=O)CCCCO[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)NC(=O)CCCCCCCCCCC(=O)N4C[C@@H](C[C@H]4COP(=O)(O)O)O)CO)O)O,O(P(=O)(O)O)C[C@@]1([H])N(C(=O)CCCCCCCCCCC(=O)NC(COCCC(=O)NCCCNC(=O)CCCCO[C@H]2[C@H](NC(=O)C)[C@@H](O)[C@@H](O)[C@@H](CO)O2)(COCCC(=O)NCCCNC(=O)CCCCO[C@H]3[C@H](NC(=O)C)[C@@H](O)[C@@H](O)[C@@H](CO)O3)COCCC(=O)NCCCNC(=O)CCCCO[C@H]4[C@H](NC(=O)C)[C@@H](O)[C@@H](O)[C@@H](CO)O4)C[C@H](O)C1,"InChI=1S/C78H140N11O34P/c1-50(93)85-66-72(108)69(105)55(43-90)121-75(66)117-35-15-12-21-58(97)79-29-18-32-82-61(100)26-38-114-47-78(88-64(103)24-10-8-6-4-5-7-9-11-25-65(104)89-42-54(96)41-53(89)46-120-124(111,112)113,48-115-39-27-62(101)83-33-19-30-80-59(98)22-13-16-36-118-76-67(86-51(2)94)73(109)70(106)56(44-91)122-76)49-116-40-28-63(102)84-34-20-31-81-60(99)23-14-17-37-119-77-68(87-52(3)95)74(110)71(107)57(45-92)123-77/h53-57,66-77,90-92,96,105-110H,4-49H2,1-3H3,(H,79,97)(H,80,98)(H,81,99)(H,82,100)(H,83,101)(H,84,102)(H,85,93)(H,86,94)(H,87,95)(H,88,103)(H2,111,112,113)/t53-,54+,55+,56+,57+,66+,67+,68+,69-,70-,71-,72+,73+,74+,75+,76+,77+/m0/s1",LQRNAUZEMLGYOX-LZVIIAQDSA-N
BMGC_DG02534,BMG_DG022905,CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C3C(=C2C)O[C@@](O3)(C)C4CCC(CC4)N(C)C)Cl)C,O1[C@](Oc2c1c(cc(c2C)C(=O)NCc3c([nH]c(cc3C)C)=O)Cl)(C)[C@]4(CC[C@@H](CC4)N(C)C)[H],"InChI=1S/C26H34ClN3O4/c1-14-11-15(2)29-25(32)20(14)13-28-24(31)19-12-21(27)23-22(16(19)3)33-26(4,34-23)17-7-9-18(10-8-17)30(5)6/h11-12,17-18H,7-10,13H2,1-6H3,(H,28,31)(H,29,32)/t17?,18?,26-/m1/s1",SSDRNUPMYCFXGM-UYPAYLBCSA-N;SSDRNUPMYCFXGM-ZZHSESOFSA-N
BMGC_DG02535,BMG_DG022912,,c1(ccc(=O)c(cc1)O)C(C)C,,WKEWHSLZDDZONF-UHFFFAOYSA-N
BMGC_DG02536,BMG_DG022914,COC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CC4(C3)COC4)F,C1[C@@H](OC(N1c2cc(c(cc2)N3CC4(COC4)C3)F)=O)CNC(OC)=O,"InChI=1S/C17H20FN3O5/c1-24-15(22)19-5-12-6-21(16(23)26-12)11-2-3-14(13(18)4-11)20-7-17(8-20)9-25-10-17/h2-4,12H,5-10H2,1H3,(H,19,22)/t12-/m0/s1",ZNBRXLSWXJKKLJ-LBPRGKRZSA-N
BMGC_DG02537,BMG_DG022937,,Nc1ccc(Cn2ccnc2)cc1,,DGHAOTHIDTUSJY-UHFFFAOYSA-N
BMGC_DG02538,BMG_DG022938,CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=C(N=C(S4)NC5CCCC5)C)F,Cc1c(sc(NC2CCCC2)n1)-c3nc(Nc4ccc(CN5CCN(CC)CC5)cn4)ncc3F,"InChI=1S/C25H33FN8S/c1-3-33-10-12-34(13-11-33)16-18-8-9-21(27-14-18)31-24-28-15-20(26)22(32-24)23-17(2)29-25(35-23)30-19-6-4-5-7-19/h8-9,14-15,19H,3-7,10-13,16H2,1-2H3,(H,29,30)(H,27,28,31,32)",POFVJRKJJBFPII-UHFFFAOYSA-N
BMGC_DG02539,BMG_DG022943,CN1C(=C(C=N1)C2=NC(=NC=C2Cl)NC3CCC(CC3)N)CC4CC4,C1[C@@H](N)CC[C@H](Nc2ncc(Cl)c(-c3cnn(C)c3CC4CC4)n2)C1,"InChI=1S/C18H25ClN6/c1-25-16(8-11-2-3-11)14(9-22-25)17-15(19)10-21-18(24-17)23-13-6-4-12(20)5-7-13/h9-13H,2-8,20H2,1H3,(H,21,23,24)",RVZJFCNYSSUDCU-UHFFFAOYSA-N;RVZJFCNYSSUDCU-JOCQHMNTSA-N
BMGC_DG02540,BMG_DG022945,C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O,[C@]1(C[C@]2(O[C@@]1(n3c4ccccc4c5c6c(C(NC6)=O)c7c(n2c8c7cccc8)c35)C)[H])(CO)O,"InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1",UIARLYUEJFELEN-LROUJFHJSA-N
BMGC_DG02541,BMG_DG022947,,c1(n(cc(c([nH]1)=O)F)C[C@@H](C(O)=O)N)=O,,DBWPFHJYSTVBCZ-BYPYZUCNSA-N
BMGC_DG02542,BMG_DG022950,C1CCN(C1)C(=O)NC2=CC(=C(C=C2)F)C3=NC4=NC=C(N4C=C3)N5CCOCC5,Fc1c(-c2nc3n(c(cn3)N4CCOCC4)cc2)cc(NC(=O)N5CCCC5)cc1,"InChI=1S/C21H23FN6O2/c22-17-4-3-15(24-21(29)27-6-1-2-7-27)13-16(17)18-5-8-28-19(14-23-20(28)25-18)26-9-11-30-12-10-26/h3-5,8,13-14H,1-2,6-7,9-12H2,(H,24,29)",SAJUCKZZYFFICP-UHFFFAOYSA-N
BMGC_DG02543,BMG_DG022951,CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4CC(C4)CCN5CCOCC5)OC)C,O([C@@H]1CC[C@@]2([C@@]([C@]3(C)[C@@H](CC=C(C)C)O3)([C@@H]1OC)[H])CO2)C(N4CC(CCN5CCOCC5)C4)=O,"InChI=1S/C26H42N2O6/c1-18(2)5-6-21-25(3,34-21)23-22(30-4)20(7-9-26(23)17-32-26)33-24(29)28-15-19(16-28)8-10-27-11-13-31-14-12-27/h5,19-23H,6-17H2,1-4H3/t20-,21-,22-,23-,25+,26+/m1/s1",QJWJPMLDQYEPPW-AUKZVGPFSA-N
BMGC_DG02544,BMG_DG022954,CC1=CC(=CN(C1=O)C)C2=CC3=C(C=C2)N=C(N3CCOC(F)(F)F)C4CCOCC4,,"InChI=1S/C22H24F3N3O3/c1-14-11-17(13-27(2)21(14)29)16-3-4-18-19(12-16)28(7-10-31-22(23,24)25)20(26-18)15-5-8-30-9-6-15/h3-4,11-13,15H,5-10H2,1-2H3",KPWWFNXRLAAREN-UHFFFAOYSA-N
BMGC_DG02545,BMG_DG022970,CN1C=CC=C1C(=O)N[C@@H](CCN2C=CN=C2)C(=O)NCC3=CC=CC=C3,,"InChI=1S/C20H23N5O2/c1-24-11-5-8-18(24)20(27)23-17(9-12-25-13-10-21-15-25)19(26)22-14-16-6-3-2-4-7-16/h2-8,10-11,13,15,17H,9,12,14H2,1H3,(H,22,26)(H,23,27)/t17-/m0/s1",XLISVTDEJLYVTB-KRWDZBQOSA-N
BMGC_DG02546,BMG_DG022975,,c1(oc(C)cc(c1)C)=O,,IXYLIUKQQQXXON-UHFFFAOYSA-N
BMGC_DG02547,BMG_DG022985,C[C@H]1CN([C@H](CO1)CC2=CC=C(C=C2)Cl)C3CCN(CC3)C4=NNC(=N4)N,[nH]1nc(nc1N2CCC(CC2)N3C[C@@H](OC[C@@H]3Cc4ccc(cc4)Cl)C)N,"InChI=1S/C19H27ClN6O/c1-13-11-26(17(12-27-13)10-14-2-4-15(20)5-3-14)16-6-8-25(9-7-16)19-22-18(21)23-24-19/h2-5,13,16-17H,6-12H2,1H3,(H3,21,22,23,24)/t13-,17-/m0/s1",STWVLEKJQQRGMO-GUYCJALGSA-N
BMGC_DG02548,BMG_DG022987,,C1(CCCCN1)=O,,XUWHAWMETYGRKB-UHFFFAOYSA-N
BMGC_DG02549,BMG_DG023000,,Cc1c(sc(n1)N)CCN,,LHVRFUVVRXGZPV-UHFFFAOYSA-N
BMGC_DG02550,BMG_DG023001,CC(C)N1C2=C(C=NC3=CC(=C(C=C32)C4=CN=C(C=C4)OCCCN5CCCCC5)F)N(C1=O)C,C(C)(C)n1c2c3c(ncc2n(c1=O)C)cc(c(c3)-c4ccc(nc4)OCCCN5CCCCC5)F,"InChI=1S/C27H32FN5O2/c1-18(2)33-26-21-14-20(22(28)15-23(21)29-17-24(26)31(3)27(33)34)19-8-9-25(30-16-19)35-13-7-12-32-10-5-4-6-11-32/h8-9,14-18H,4-7,10-13H2,1-3H3",VQSZIPCGAGVRRP-UHFFFAOYSA-N
BMGC_DG02551,BMG_DG023011,C[C@H](C(=O)NC1=CC=CC2=C1NC=C2C3=NC(=NC=C3)NC4=CN(N=C4OC)C)N5CCN(CC5)C,C([C@@H](C)N1CCN(CC1)C)(=O)Nc2cccc3c(c[nH]c23)-c4nc(ncc4)Nc5c(nn(c5)C)OC,"InChI=1S/C25H31N9O2/c1-16(34-12-10-32(2)11-13-34)23(35)28-20-7-5-6-17-18(14-27-22(17)20)19-8-9-26-25(29-19)30-21-15-33(3)31-24(21)36-4/h5-9,14-16,27H,10-13H2,1-4H3,(H,28,35)(H,26,29,30)/t16-/m1/s1",CVCVOSPZEVINRM-MRXNPFEDSA-N
BMGC_DG02552,BMG_DG023024,C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17",NJCBUSHGCBERSK-UHFFFAOYSA-N
BMGC_DG02553,BMG_DG023027,CC1CC2=CC3=C(C=C2C(=NN1C(=O)NC)C4=CC=C(C=C4)N)OCO3,c1cc(N)ccc1C2=NN(C(NC)=O)C(C)Cc3cc4OCOc4cc32,"InChI=1S/C19H20N4O3/c1-11-7-13-8-16-17(26-10-25-16)9-15(13)18(22-23(11)19(24)21-2)12-3-5-14(20)6-4-12/h3-6,8-9,11H,7,10,20H2,1-2H3,(H,21,24)",SMGACXZFVXKEAX-UHFFFAOYSA-N
BMGC_DG02554,BMG_DG023030,,N[C@H]1C=C(CC1=C(F)F)C(O)=O,,FBLNZOCTNRXJQD-YFKPBYRVSA-N
BMGC_DG02555,BMG_DG023033,,Cn1c2c(cc(NC(Nc3cccnc3)=O)cc2)cc1,,OJZZJTLBYXHUSJ-UHFFFAOYSA-N
BMGC_DG02556,BMG_DG023035,,C(Oc1ccc(cc1)Cc2[nH]nnn2)c3c(CCC)c(O)c(cc3)C(C)=O,,OKLGLROKXFUYEI-UHFFFAOYSA-N
BMGC_DG02557,BMG_DG023059,CC(=C)C(=O)/C(=C/C(=O)O)/OC,,"InChI=1S/C8H10O4/c1-5(2)8(11)6(12-3)4-7(9)10/h4H,1H2,2-3H3,(H,9,10)/b6-4-",VOUGEZYPVGAPBB-XQRVVYSFSA-N
BMGC_DG02558,BMG_DG023082,,,,
BMGC_DG02559,BMG_DG023143,CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,n1c(c2nc(CN(c3ccc(C(N[C@H](C(=O)O)CCC(=O)O)=O)cc3)C)cnc2nc1N)N,"InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1",FBOZXECLQNJBKD-ZDUSSCGKSA-N
BMGC_DG02560,BMG_DG023249,C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC7=CNC=N7)N)O,,"InChI=1S/C152H222N38O50/c1-73(2)55-99(133(222)171-98(47-51-116(206)207)132(221)183-111(71-194)144(233)189-122(80(11)197)149(238)239)174-137(226)105(61-85-65-161-91-32-21-20-31-89(85)91)178-129(218)93(34-23-25-53-154)172-146(235)119(75(5)6)187-139(228)103(57-81-27-16-14-17-28-81)176-131(220)97(46-50-115(204)205)170-130(219)96(45-49-114(202)203)167-123(212)76(7)164-127(216)94(35-26-54-160-151(157)158)166-124(213)77(8)165-150(240)152(12,13)190-145(234)107(64-118(210)211)180-134(223)100(56-74(3)4)173-135(224)101(59-83-36-40-87(198)41-37-83)175-128(217)92(33-22-24-52-153)168-142(231)109(69-192)184-136(225)102(60-84-38-42-88(199)43-39-84)177-138(227)106(63-117(208)209)179-143(232)110(70-193)185-148(237)121(79(10)196)188-140(229)104(58-82-29-18-15-19-30-82)181-147(236)120(78(9)195)186-113(201)67-162-126(215)95(44-48-112(156)200)169-141(230)108(68-191)182-125(214)90(155)62-86-66-159-72-163-86/h14-21,27-32,36-43,65-66,72-80,90,92-111,119-122,161,191-199H,22-26,33-35,44-64,67-71,153-155H2,1-13H3,(H2,156,200)(H,159,163)(H,162,215)(H,164,216)(H,165,240)(H,166,213)(H,167,212)(H,168,231)(H,169,230)(H,170,219)(H,171,222)(H,172,235)(H,173,224)(H,174,226)(H,175,217)(H,176,220)(H,177,227)(H,178,218)(H,179,232)(H,180,223)(H,181,236)(H,182,214)(H,183,221)(H,184,225)(H,185,237)(H,186,201)(H,187,228)(H,188,229)(H,189,233)(H,190,234)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,238,239)(H4,157,158,160)/t76-,77-,78+,79+,80+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,119-,120-,121-,122-/m0/s1",RZRMFQMNPDPAIX-AJTOSFMRSA-N
BMGC_DG02561,BMG_DG023279,,O(C(Cc1c(OCc2n(CC(F)(F)F)ncc2)cccc1)C(O)=O)c3c4c(c(sc4ncn3)-c5ccc(o5)F)-c6c(C)c(Cl)c(cc6)OCCN7CCN(CC7)C,,ZFBHXVOCZBPADE-UHFFFAOYSA-N
BMGC_DG02562,BMG_DG023283,,N(C(=O)Nc1sc(cn1)CCNc2ncnc3cc(ccc23)OCCCN(C)C)c4cc(ccc4)Cl,,MMVLETOTGHDVPQ-UHFFFAOYSA-N
BMGC_DG02563,BMG_DG023289,C1=CNC(=S)NC1=O,c1c[nH]c(=S)[nH]c1=O,"InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)",ZEMGGZBWXRYJHK-UHFFFAOYSA-N
BMGC_DG02564,BMG_DG023293,C1=CC(=CC=C1CC(=O)O)O,C(=O)(Cc1ccc(cc1)O)O,"InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)",XQXPVVBIMDBYFF-UHFFFAOYSA-N
BMGC_DG02565,BMG_DG023306,CCC1=CC2=C(C=C1C3=CN(N=C3)CC(=O)N(C)C)C(C4=C(C2=O)C5=C(N4)C=C(C=C5)C#N)(C)C,,"InChI=1S/C28H27N5O2/c1-6-17-10-21-22(11-20(17)18-13-30-33(14-18)15-24(34)32(4)5)28(2,3)27-25(26(21)35)19-8-7-16(12-29)9-23(19)31-27/h7-11,13-14,31H,6,15H2,1-5H3",IDGNCVHQDDOPND-UHFFFAOYSA-N
BMGC_DG02566,BMG_DG023307,CCN(CC)C(=S)SC,N(C(SC)=S)(CC)CC,"InChI=1S/C6H13NS2/c1-4-7(5-2)6(8)9-3/h4-5H2,1-3H3",JYRXPFCUABYLPD-UHFFFAOYSA-N
BMGC_DG02567,BMG_DG023308,C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=C(C=C1)O)N,NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(cc1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O,"InChI=1S/C98H171N37O26/c1-45(2)41-68(84(150)115-44-72(139)135-73(47(5)6)93(159)124-50(9)76(142)125-57(16)94(160)161)134-91(157)67(33-35-71(102)138)132-90(156)65(27-22-40-114-98(109)110)130-81(147)55(14)123-92(158)69(42-46(3)4)133-82(148)56(15)121-85(151)61(23-17-18-36-99)126-79(145)53(12)120-87(153)63(25-20-38-112-96(105)106)128-80(146)54(13)122-88(154)66(32-34-70(101)137)131-89(155)64(26-21-39-113-97(107)108)129-77(143)51(10)117-74(140)48(7)116-75(141)49(8)119-86(152)62(24-19-37-111-95(103)104)127-78(144)52(11)118-83(149)60(100)43-58-28-30-59(136)31-29-58/h28-31,45-57,60-69,73,136H,17-27,32-44,99-100H2,1-16H3,(H2,101,137)(H2,102,138)(H,115,150)(H,116,141)(H,117,140)(H,118,149)(H,119,152)(H,120,153)(H,121,151)(H,122,154)(H,123,158)(H,124,159)(H,125,142)(H,126,145)(H,127,144)(H,128,146)(H,129,143)(H,130,147)(H,131,155)(H,132,156)(H,133,148)(H,134,157)(H,135,139)(H,160,161)(H4,103,104,111)(H4,105,106,112)(H4,107,108,113)(H4,109,110,114)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,73-/m0/s1",NXUWTKIOMJSLSV-DEEZXRHXSA-N
BMGC_DG02568,BMG_DG023344,,NC(N)=Nc1ccc(C(=O)Oc2ccc(S(N)(=O)=O)cc2)cc1,,YFUQTMNUQVFBBS-UHFFFAOYSA-N
BMGC_DG02569,BMG_DG023353,CCOC1=CC=CC=C1O[C@@H]([C@H]2CNCCO2)C3=CC=CC=C3,O([C@@H]([C@@]1(OCCNC1)[H])c2ccccc2)c3c(OCC)cccc3,"InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m1/s1",CBQGYUDMJHNJBX-RTBURBONSA-N
BMGC_DG02570,BMG_DG023357,C(C(=O)O)N(C=O)O,N(CC(O)=O)(C=O)O,"InChI=1S/C3H5NO4/c5-2-4(8)1-3(6)7/h2,8H,1H2,(H,6,7)",URJHVPKUWOUENU-UHFFFAOYSA-N
BMGC_DG02571,BMG_DG023368,,C(c1c(O)c(CC=C(C)C)c(O)c2C(C[C@@H](c3ccc(O)cc3O)Oc21)=O)C=C(C)C,,ZTEYEFPSJPSRRA-NRFANRHFSA-N
BMGC_DG02572,BMG_DG023409,,c1(/C=C/c2ccccc2)ccc(N)cc1,,VFPLSXYJYAKZCT-VOTSOKGWSA-N
BMGC_DG02573,BMG_DG023423,,N1C(S\C(\C1=O)=C/c2ccccc2)=S,,OONWCXLYKDWKOU-VURMDHGXSA-N
BMGC_DG02574,BMG_DG023440,C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN,,"InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1",VWXQFHJBQHTHMK-LURJTMIESA-N
BMGC_DG02575,BMG_DG023446,,C1(NC(=S)NC1)=O,,UGWULZWUXSCWPX-UHFFFAOYSA-N
BMGC_DG02576,BMG_DG023448,CCCCCCCCC(=O)C,C(CCCCC)CCC(C)=O,"InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3",ZAJNGDIORYACQU-UHFFFAOYSA-N
BMGC_DG02577,BMG_DG023455,,N(C=1S/C(=C\c2ccccc2)/C(=O)N1)c3ccccc3,,AXMGOWZVQOLCDR-KAMYIIQDSA-N
BMGC_DG02578,BMG_DG023470,CC1=NC=CN1,c1([nH]ccn1)C,"InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)",LXBGSDVWAMZHDD-UHFFFAOYSA-N
BMGC_DG02579,BMG_DG023476,,[C@@]12([C@@](C(=O)CO)(CC[C@]2([C@]3([C@]([C@@]4(C(=CC(=O)C=C4)CC3)C)(F)[C@H](C1)O)[H])[H])O)C,,WAIJIHDWAKJCBX-BULBTXNYSA-N
BMGC_DG02580,BMG_DG023480,,n1c(c(Cc2cc(OC)c(c(c2)OC)OCC)cnc1N)N,,XWUQANDETYXOIU-UHFFFAOYSA-N
BMGC_DG02581,BMG_DG023482,CCN1CCN(C(=O)C1=O)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@]2([C@@H]3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O)OC,[C@@]1(C(N2C(=C(CSc3n(nnn3)C)CS[C@]12[H])C(=O)O)=O)(NC([C@H](NC(N4C(C(=O)N(CC4)CC)=O)=O)[C@@H](O)C)=O)OC,"InChI=1S/C22H29N9O9S2/c1-5-29-6-7-30(16(35)15(29)34)20(39)23-12(10(2)32)14(33)24-22(40-4)18(38)31-13(17(36)37)11(8-41-19(22)31)9-42-21-25-26-27-28(21)3/h10,12,19,32H,5-9H2,1-4H3,(H,23,39)(H,24,33)(H,36,37)/t10-,12+,19+,22-/m0/s1",SMSRCGPDNDCXFR-CYWZMYCQSA-N
BMGC_DG02582,BMG_DG023498,,C1(CC)OC(=O)CC1,,JBFHTYHTHYHCDJ-UHFFFAOYSA-N
BMGC_DG02583,BMG_DG023501,CC1=C(C2=C(C(=C1O)C)SC(O2)CCCO)C,,"InChI=1S/C13H18O3S/c1-7-8(2)12-13(9(3)11(7)15)17-10(16-12)5-4-6-14/h10,14-15H,4-6H2,1-3H3",NFFALUZFTIOAOV-UHFFFAOYSA-N
BMGC_DG02584,BMG_DG023508,,n1-2c(c(nc1)C(OCC)=O)CN(C(c3c2cccc3)=O)C,,HNGRWUCKESPKRC-UHFFFAOYSA-N
BMGC_DG02585,BMG_DG023526,,N(C1CCCCC1)S(=O)(=O)NC2CCCCC2,,TWRLCLQBOADOST-UHFFFAOYSA-N
BMGC_DG02586,BMG_DG023529,,N1(CCN(CC1)C)[C@@H]2c3cc(Cl)ccc3Sc4ccccc4C2,,XRYLGRGAWQSVQW-KRWDZBQOSA-N
BMGC_DG02587,BMG_DG023535,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)N,,"InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1",RVKFQAJIXCZXQY-CBZIJGRNSA-N
BMGC_DG02588,BMG_DG023544,,C([C@H]1CC(=CCC1)c2ccccc2)N3CC=C(CC3)c4ccccc4,,XBGWTWPYCTZIIE-HXUWFJFHSA-N
BMGC_DG02589,BMG_DG023553,,OC[C@@H]1NC[C@H](O)[C@H]1O,,OQEBIHBLFRADNM-YUPRTTJUSA-N
BMGC_DG02590,BMG_DG023559,C1COC2=C1C=C(C=C2)S(=O)(=O)NC(=O)NC3=CC(=C(C=C3)Cl)Cl,S(NC(Nc1cc(Cl)c(cc1)Cl)=O)(c2cc3CCOc3cc2)(=O)=O,"InChI=1S/C15H12Cl2N2O4S/c16-12-3-1-10(8-13(12)17)18-15(20)19-24(21,22)11-2-4-14-9(7-11)5-6-23-14/h1-4,7-8H,5-6H2,(H2,18,19,20)",VAMFSFIPDOODFH-UHFFFAOYSA-N
BMGC_DG02591,BMG_DG023561,,c1(c(cc(cc1)Cl)Cl)[C@@H](Cn2cncc2)OCc3ccc(cc3)Cl,,LEZWWPYKPKIXLL-GOSISDBHSA-N
BMGC_DG02592,BMG_DG023569,C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)OP(=O)(O)O,c1(cc(ccc1OP(O)(O)=O)C[C@@H](C(O)=O)N)O,"InChI=1S/C9H12NO7P/c10-6(9(12)13)3-5-1-2-8(7(11)4-5)17-18(14,15)16/h1-2,4,6,11H,3,10H2,(H,12,13)(H2,14,15,16)/t6-/m0/s1",YNDMEEULGSTYJT-LURJTMIESA-N
BMGC_DG02593,BMG_DG023573,,n1(c2c(c(NC)ncn2)nc1)Cc3c(F)cccc3,,MZABAGHILOTTOD-UHFFFAOYSA-N
BMGC_DG02594,BMG_DG023576,,NC1=NCCC1,,NJBMZYSKLWQXLJ-UHFFFAOYSA-N
BMGC_DG02595,BMG_DG023609,C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CCC3=NNN=N3)C(=O)O,n1n[nH]c(n1)CC[C@@H]2C[C@@]3(C[C@@H](C(=O)O)NC[C@@]3(CC2)[H])[H],"InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1",ZXFRFPSZAKNPQQ-YTWAJWBKSA-N
BMGC_DG02596,BMG_DG023617,,Nc1ccccc1C(=O)NCCCCN2CCN(CC2)c3c4c(sn3)cccc4,,GMDXHLCLNHCEIC-UHFFFAOYSA-N
BMGC_DG02597,BMG_DG023621,,c1cc(ccn1)C[C@H](c2ccccc2)c3cc(c(cc3)OC)OC4CCCC4,,UTUUPXBCDMQYRR-HSZRJFAPSA-N
BMGC_DG02598,BMG_DG023622,C1=CC=C(C=C1)OP(=O)(O)O,c1(OP(O)(O)=O)ccccc1,"InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)",CMPQUABWPXYYSH-UHFFFAOYSA-N
BMGC_DG02599,BMG_DG023625,COC1=C(C=C(C=C1)N2C=NN=N2)CN[C@H]3CCCN[C@H]3C4=CC=CC=C4,,"InChI=1S/C20H24N6O/c1-27-19-10-9-17(26-14-23-24-25-26)12-16(19)13-22-18-8-5-11-21-20(18)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,18,20-22H,5,8,11,13H2,1H3/t18-,20-/m0/s1",DZYPLFAASKBQBS-ICSRJNTNSA-N
BMGC_DG02600,BMG_DG023649,,c1(c(cc(c([nH]1)=O)C(=O)N)-c2ccncc2)C,,SWKVSFPUHCMFJY-UHFFFAOYSA-N
BMGC_DG02601,BMG_DG023660,CN(C)CCCC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=CC=NC=C3)O,N(C(=O)c1cc(CCCN(C)C)c(O)cc1)c2ccc(cc2)-c3ccncc3,"InChI=1S/C23H25N3O2/c1-26(2)15-3-4-19-16-20(7-10-22(19)27)23(28)25-21-8-5-17(6-9-21)18-11-13-24-14-12-18/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,28)",ZAGAUUVCYGSPBP-UHFFFAOYSA-N
BMGC_DG02602,BMG_DG023666,,C(Oc1ccc(cc1)C#N)C2CCN(CC2)CCCF,,KSMXCGCEJWKWOX-UHFFFAOYSA-N
BMGC_DG02603,BMG_DG023670,,c1cn(cn1)CCCCCCCCCC(=O)O,,DOJPUPKORVKCJK-UHFFFAOYSA-N
BMGC_DG02604,BMG_DG023678,,N1(c2c(Oc3c(C1)cccc3)ccc(c2)Cl)C(NNC(CCS(=O)(=O)CC)=O)=O,,MKWZNWIFSJUXCI-UHFFFAOYSA-N
BMGC_DG02605,BMG_DG023698,CCCCCCC1CCC(=O)O1,C1(CCCCCC)OC(=O)CC1,"InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3",IFYYFLINQYPWGJ-UHFFFAOYSA-N
BMGC_DG02606,BMG_DG023719,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC,CCCCCCCC(OC[C@H](COP(O)(=O)O)OC(CCCCCCC)=O)=O,"InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1",XYSBQYUENLDGMI-QGZVFWFLSA-N
BMGC_DG02607,BMG_DG023726,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N[C@H]2[C@H]3CC[C@@]([C@H]2O)(C3(C)C)C,[C@H]12CC[C@](C1(C)C)([C@H]([C@H]2NC(NS(c3ccc(cc3)C)(=O)=O)=O)O)C,"InChI=1S/C18H26N2O4S/c1-11-5-7-12(8-6-11)25(23,24)20-16(22)19-14-13-9-10-18(4,15(14)21)17(13,2)3/h5-8,13-15,21H,9-10H2,1-4H3,(H2,19,20,22)/t13-,14+,15+,18+/m1/s1",RMTYNAPTNBJHQI-LLDVTBCESA-N
BMGC_DG02608,BMG_DG023728,,c12c(ccc(c1C=O)O)cccc2,,NTCCNERMXRIPTR-UHFFFAOYSA-N
BMGC_DG02609,BMG_DG023731,,,,
BMGC_DG02610,BMG_DG023742,,C(SC[C@H](NC(OCC1c2c(-c3c1cccc3)cccc2)=O)C(O)=O)(c4ccccc4)(c5ccccc5)c6ccccc6,,KLBPUVPNPAJWHZ-UMSFTDKQSA-N
BMGC_DG02611,BMG_DG023762,,c12c(cc(cc1OC([C@@]3([C@]2(C=C(CC3)C)[H])[H])(C)C)CCCCC)O,,CYQFCXCEBYINGO-SJORKVTESA-N
BMGC_DG02612,BMG_DG023769,,CC(N)Cc1c[nH]c2ccc(F)cc12,,CTGFDWBZMCPVED-UHFFFAOYSA-N
BMGC_DG02613,BMG_DG023771,COC1=CC2=C(C=C1)NC=C2CCO,,"InChI=1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3",QLWKTGDEPLRFAT-UHFFFAOYSA-N
BMGC_DG02614,BMG_DG023793,[C@H]1([C@H](C([C@H]([C@@H](C1O)O)OP(=O)(O)O)O)OP(=O)(O)O)O,,"InChI=1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1?,2-,3+,4?,5+,6-",PUVHMWJJTITUGO-WJPCITMWSA-N
BMGC_DG02615,BMG_DG023807,,COc1ccc2[nH]c(c(C)c2c1)-c3cc(C)c(O)c(C)c3,,OZFHUMGEWVYBRM-UHFFFAOYSA-N
BMGC_DG02616,BMG_DG023833,,n1(c2c(c(ncn2)N)nc1)C3CCCC3,,KTJWHJNBTXITCB-UHFFFAOYSA-N
BMGC_DG02617,BMG_DG023836,,O=P(O)(O)C(O)(CCc1cccnc1)P(=O)(O)O,,ILROXFQHACCDLA-UHFFFAOYSA-N
BMGC_DG02618,BMG_DG023845,,c1(-c2ccccc2)cc(ccc1)C(O)=O,,XNLWJFYYOIRPIO-UHFFFAOYSA-N
BMGC_DG02619,BMG_DG023848,,N1(CCN(CC1)c2ccc(cc2)OC[C@H]3O[C@@](OC3)(Cn4ccnc4)c5c(cc(cc5)Cl)Cl)C(=O)C,,XMAYWYJOQHXEEK-BVAGGSTKSA-N
BMGC_DG02620,BMG_DG023851,,c1(-c2ccccc2)[nH]c3ccccc3n1,,DWYHDSLIWMUSOO-UHFFFAOYSA-N
BMGC_DG02621,BMG_DG023860,CC(=O)O[C@H]1C[C@H]([C@@]2(CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]2C1=O)C)C4=COC=C4)C)C(=O)OC,C1([C@]2([C@](C[C@](O1)(c3cocc3)[H])([C@]4(C([C@H](C[C@H]([C@@]4(CC2)C)C(=O)OC)OC(=O)C)=O)[H])C)[H])=O,"InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1",OBSYBRPAKCASQB-AGQYDFLVSA-N
BMGC_DG02622,BMG_DG023861,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)NC,,"InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1",QYZPDCGWIJYZMN-ZBFHGGJFSA-N
BMGC_DG02623,BMG_DG023887,,c1(c(c(c(ccc1)O)O)O)=O,,HQLHJCFATKAUSO-UHFFFAOYSA-N
BMGC_DG02624,BMG_DG023954,CCO[C@H](CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3OC4=CC=CC=C42)C(=O)O,c1ccc2Oc3c(N(CCOc4ccc(cc4)C[C@H](C(O)=O)OCC)c2c1)cccc3,"InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m1/s1",WMUIIGVAWPWQAW-XMMPIXPASA-N
BMGC_DG02625,BMG_DG023955,,,,
BMGC_DG02626,BMG_DG023957,C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2OCC(CN)O,c1(C(=O)CCc2ccccc2)c(OCC(O)CN)cccc1,"InChI=1S/C18H21NO3/c19-12-15(20)13-22-18-9-5-4-8-16(18)17(21)11-10-14-6-2-1-3-7-14/h1-9,15,20H,10-13,19H2",HIGKMVIPYOFHBP-UHFFFAOYSA-N
BMGC_DG02627,BMG_DG023970,,C([C@@H](NC([C@@H](N)CCCCN)=O)CCCCN)(=O)O,,NVGBPTNZLWRQSY-UWVGGRQHSA-N
BMGC_DG02628,BMG_DG023976,,c12c([C@H](CN(C1)C)c3ccccc3)cccc2N,,XXPANQJNYNUNES-CQSZACIVSA-N
BMGC_DG02629,BMG_DG023979,C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O,[o+]1c2c(cc(c1-c3cc(c(O)c(c3)O)O)O)c(O)cc(c2)O,"InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1",JKHRCGUTYDNCLE-UHFFFAOYSA-O
BMGC_DG02630,BMG_DG023981,C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O,c1(cc2c(cc(O)cc2O)[o+]c1-c3cc(c(cc3)O)O)O,"InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1",VEVZSMAEJFVWIL-UHFFFAOYSA-O
BMGC_DG02631,BMG_DG023987,,,,
BMGC_DG02632,BMG_DG024006,C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC4=CC=CC=C4C=C3,C(c1cc(C2=CCN(CC2)CCc3cc4ccccc4cc3)ccc1)(F)(F)F,"InChI=1S/C24H22F3N/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18/h1-9,11,16-17H,10,12-15H2",WJJYZXPHLSLMGE-UHFFFAOYSA-N
BMGC_DG02633,BMG_DG024007,,N1(C(SSC(N2CCOCC2)=S)=S)CCOCC1,,KKVYOWPPMNSLCP-UHFFFAOYSA-N
BMGC_DG02634,BMG_DG024008,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CS)O)O)N,,"InChI=1S/C10H13N5O3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(1-19)18-10/h2-4,6-7,10,16-17,19H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",HLJHWWUZHBUUAC-KQYNXXCUSA-N
BMGC_DG02635,BMG_DG024014,CC1=C(OC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C,S(Nc1nc(C)c(o1)C)(c2ccc(cc2)N)(=O)=O,"InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)",CYFLXLSBHQBMFT-UHFFFAOYSA-N
BMGC_DG02636,BMG_DG024020,,c1(cc(ccc1)C(F)(F)F)C[C@@H](C)N,,MLBHFBKZUPLWBD-SSDOTTSWSA-N
BMGC_DG02637,BMG_DG024045,CC(C)CCC=O,C(C(C)C)CC=O,"InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3",JGEGJYXHCFUMJF-UHFFFAOYSA-N
BMGC_DG02638,BMG_DG024064,COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O,c12c(C(=O)N(C1=O)CSP(OC)(OC)=S)cccc2,"InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3",LMNZTLDVJIUSHT-UHFFFAOYSA-N
BMGC_DG02639,BMG_DG024172,CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)N,C([C@H](NC([C@@H](NC([C@@](NC([C@H](Cc1ccccc1)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC(=O)[C@@H](NC([C@@H](NC([C@H](CC(O)=O)N)=O)CC(C)C)=O)CO)CCCCN)=O)CCC(N)=O)=O)CCSC)=O)CCC(O)=O)=O)CCC(O)=O)=O)CCC(O)=O)=O)C)=O)C(C)C)=O)CCCNC(=N)N)=O)CC(C)C)=O)=O)([C@H](CC)C)[H])=O)CCC(O)=O)=O)C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(NCC(=O)N2[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(=O)N3[C@H](C(=O)N4[C@H](C(=O)N5[C@H](C(N[C@H](C(N)=O)CO)=O)CCC5)CCC4)CCC3)C)=O)=O)CO)=O)CO)=O)CCC2)=O)=O)CC(N)=O)=O)CCCCN)=O)CC(C)C)=O)c6c7c([nH]c6)cccc7,"InChI=1S/C149H234N40O47S/c1-14-78(10)120(185-139(227)98(62-81-29-16-15-17-30-81)177-136(224)97(61-76(6)7)175-129(217)88(35-24-53-158-149(156)157)172-144(232)119(77(8)9)184-122(210)79(11)164-126(214)90(41-46-114(199)200)168-131(219)91(42-47-115(201)202)169-132(220)92(43-48-116(203)204)170-134(222)94(50-58-237-13)171-130(218)89(40-45-109(153)194)167-127(215)86(33-20-22-51-150)166-140(228)103(72-192)182-137(225)95(59-74(2)3)174-123(211)84(152)64-118(207)208)145(233)173-93(44-49-117(205)206)133(221)178-99(63-82-66-159-85-32-19-18-31-83(82)85)138(226)176-96(60-75(4)5)135(223)165-87(34-21-23-52-151)128(216)179-100(65-110(154)195)124(212)161-67-111(196)160-69-113(198)186-54-25-36-105(186)142(230)183-104(73-193)141(229)181-102(71-191)125(213)162-68-112(197)163-80(12)146(234)188-56-27-38-107(188)148(236)189-57-28-39-108(189)147(235)187-55-26-37-106(187)143(231)180-101(70-190)121(155)209/h15-19,29-32,66,74-80,84,86-108,119-120,159,190-193H,14,20-28,33-65,67-73,150-152H2,1-13H3,(H2,153,194)(H2,154,195)(H2,155,209)(H,160,196)(H,161,212)(H,162,213)(H,163,197)(H,164,214)(H,165,223)(H,166,228)(H,167,215)(H,168,219)(H,169,220)(H,170,222)(H,171,218)(H,172,232)(H,173,233)(H,174,211)(H,175,217)(H,176,226)(H,177,224)(H,178,221)(H,179,216)(H,180,231)(H,181,229)(H,182,225)(H,183,230)(H,184,210)(H,185,227)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H4,156,157,158)/t78-,79-,80-,84-,86-,87-,88-,89+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,119-,120-/m0/s1",WSEVKKHALHSUMB-RYVRVIGHSA-N
BMGC_DG02640,BMG_DG024176,C1=CC(=CC=C1OCC#CC2=CC(=C(N=C2)C(=O)NCC(=O)O)O)Cl,Clc1ccc(OCC#Cc2cc(c(nc2)C(=O)NCC(=O)O)O)cc1,"InChI=1S/C17H13ClN2O5/c18-12-3-5-13(6-4-12)25-7-1-2-11-8-14(21)16(19-9-11)17(24)20-10-15(22)23/h3-6,8-9,21H,7,10H2,(H,20,24)(H,22,23)",AIKDJELJHUPYNG-UHFFFAOYSA-N
BMGC_DG02641,BMG_DG024183,C1C[C@H](OC[C@@H]1NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl)CO,C(=O)(c1c[nH]c2ncnc(c21)N[C@H]3CO[C@@H](CC3)CO)c4c(cc(cc4)Oc5ccccc5)Cl,"InChI=1S/C25H23ClN4O4/c26-21-10-17(34-16-4-2-1-3-5-16)8-9-19(21)23(32)20-11-27-24-22(20)25(29-14-28-24)30-15-6-7-18(12-31)33-13-15/h1-5,8-11,14-15,18,31H,6-7,12-13H2,(H2,27,28,29,30)/t15-,18+/m1/s1",JSFCZQSJQXFJDS-QAPCUYQASA-N
BMGC_DG02642,BMG_DG024191,C[C@H](C(=O)N[C@H](CO)C1=CC(=CC(=C1)F)OC)N2CC3=C(C2=O)C=C(C=C3)C4=NC(=NC=C4Cl)NC5CCOCC5,C([C@@H](C)N1C(c2cc(ccc2C1)-c3nc(ncc3Cl)NC4CCOCC4)=O)(=O)N[C@H](CO)c5cc(cc(c5)OC)F,"InChI=1S/C29H31ClFN5O5/c1-16(27(38)34-25(15-37)19-9-20(31)12-22(10-19)40-2)36-14-18-4-3-17(11-23(18)28(36)39)26-24(30)13-32-29(35-26)33-21-5-7-41-8-6-21/h3-4,9-13,16,21,25,37H,5-8,14-15H2,1-2H3,(H,34,38)(H,32,33,35)/t16-,25-/m1/s1",BVRGQPJKSKKGIH-PUAOIOHZSA-N
BMGC_DG02643,BMG_DG024206,CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3CCC(CC3)(C(=O)N[C@@H](C)C4=CN=C(C=C4)N5C=C(C=N5)F)OC,[C@@]1(CC[C@H](CC1)c2nc(cc(n2)Nc3n[nH]c(c3)C)C)(C(=O)N[C@@H](C)c4cnc(cc4)-n5ncc(c5)F)OC,"InChI=1S/C27H32FN9O2/c1-16-11-22(33-23-12-17(2)35-36-23)34-25(31-16)19-7-9-27(39-4,10-8-19)26(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36)/t18-,19?,27?/m0/s1",GBLBJPZSROAGMF-RWYJCYHVSA-N;GBLBJPZSROAGMF-SIYOEGHHSA-N
BMGC_DG02644,BMG_DG024214,CC(C)(C1=CC=CC=C1)NC(=O)CN2CC3=C(C2=O)C=C(C=C3)C4=NC(=NC=C4Cl)NC5CCOCC5,,"InChI=1S/C28H30ClN5O3/c1-28(2,20-6-4-3-5-7-20)33-24(35)17-34-16-19-9-8-18(14-22(19)26(34)36)25-23(29)15-30-27(32-25)31-21-10-12-37-13-11-21/h3-9,14-15,21H,10-13,16-17H2,1-2H3,(H,33,35)(H,30,31,32)",OBEQPUMSPDLFGN-UHFFFAOYSA-N
BMGC_DG02645,BMG_DG024223,,O=c1c2ccccc2[nH]n1Cc3cccnc3,,SKZAIZCDZYPCRF-UHFFFAOYSA-N
BMGC_DG02646,BMG_DG024226,C[C@@H]1CCC2=C(C=C(C=N2)F)[C@H]3CCCN3C4=NC5=C(C=NN5C=C4)C(=O)N1,c1c2c(ncc1F)CC[C@H](NC(c3cnn4ccc(N5CCC[C@H]25)nc43)=O)C,"InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1",OEBIHOVSAMBXIB-SJKOYZFVSA-N
BMGC_DG02647,BMG_DG024236,,N(c1c([N+]([O-])=O)c(N)ncn1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,,OHEMBWZZEKCBAS-UUOKFMHZSA-N
BMGC_DG02648,BMG_DG024238,CC1=CN=C(N=C1C2=CN3C[C@@H](N(C(=O)C3=N2)CC4=CC(=C(C=C4)F)F)COC)NC5=CC=NN5C,n1c(nc(c(c1)C)-c2nc3n(c2)C[C@@H](N(C3=O)Cc4ccc(c(c4)F)F)COC)Nc5ccnn5C,"InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1",HVIGNZUDBVLTLU-MRXNPFEDSA-N
BMGC_DG02649,BMG_DG024247,,CC1(C)[C@]2([C@](c3c(O1)cc(cc3)C(CCCCCC)(C)C)(CC(=CC2)C)[H])[H],,JEEFMLVJZKFOFV-FCHUYYIVSA-N
BMGC_DG02650,BMG_DG024253,CN(C)C[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(C3=C(N=C(C=C3O2)OC)OC)O)C4=CC=C(C=C4)C#N)C5=CC=CC=C5,O[C@]12[C@]([C@@H]([C@H]([C@H]1O)CN(C)C)c3ccccc3)(Oc4c2c(OC)nc(c4)OC)c5ccc(cc5)C#N,"InChI=1S/C28H29N3O5/c1-31(2)16-20-23(18-8-6-5-7-9-18)28(19-12-10-17(15-29)11-13-19)27(33,25(20)32)24-21(36-28)14-22(34-3)30-26(24)35-4/h5-14,20,23,25,32-33H,16H2,1-4H3/t20-,23-,25-,27+,28+/m1/s1",QYCXWOACFWMQFO-WZWZCULESA-N
BMGC_DG02651,BMG_DG024262,CCCCCCCCOC[C@H](COP(=O)(O)OCCN)OP(=O)(CCCCCCC)O,,"InChI=1S/C20H45NO8P2/c1-3-5-7-9-10-12-15-26-18-20(19-28-31(24,25)27-16-14-21)29-30(22,23)17-13-11-8-6-4-2/h20H,3-19,21H2,1-2H3,(H,22,23)(H,24,25)/t20-/m1/s1",RCCNUBYROFOKAU-HXUWFJFHSA-N
BMGC_DG02652,BMG_DG024268,CC1=NC(=CC=C1)NC2=NC=C(C(=C2)NC3=CC=CC=C3Cl)C(=O)N,,"InChI=1S/C18H16ClN5O/c1-11-5-4-8-16(22-11)24-17-9-15(12(10-21-17)18(20)25)23-14-7-3-2-6-13(14)19/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)",OYWNKAAPXTYEBN-UHFFFAOYSA-N
BMGC_DG02653,BMG_DG024284,C1=CC=C(C=C1)C(C(=O)O)O,C(C(c1ccccc1)O)(=O)O,"InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)",IWYDHOAUDWTVEP-UHFFFAOYSA-N
BMGC_DG02654,BMG_DG024285,CC1=NC2=C(C13CCCC3)C=C(C=C2F)C4=NC(=NC=C4F)NC5=NC=C(C=C5)C6CCN(CC6)C,c1nc(Nc2ccc(cn2)C3CCN(CC3)C)nc(c1F)-c4cc(c5N=C(C)C6(c5c4)CCCC6)F,"InChI=1S/C28H30F2N6/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35)",AEFFENQISAXIKE-UHFFFAOYSA-N
BMGC_DG02655,BMG_DG024286,CC(=O)N1CC2=C([C@@H]1C(=O)NC3=CC=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)C=CC(=C2)S(=O)(=O)C,FC(C(C(F)(F)F)(O)c1ccc(cc1)NC([C@H]2c3ccc(cc3CN2C(=O)C)S(=O)(C)=O)=O)(F)F,"InChI=1S/C21H18F6N2O5S/c1-11(30)29-10-12-9-15(35(2,33)34)7-8-16(12)17(29)18(31)28-14-5-3-13(4-6-14)19(32,20(22,23)24)21(25,26)27/h3-9,17,32H,10H2,1-2H3,(H,28,31)/t17-/m1/s1",QYYZXEPEVBXNNA-QGZVFWFLSA-N
BMGC_DG02656,BMG_DG024291,CCOC1=CC=CC=C1OCCN[C@H](C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N,c1cc(OCC)c(OCCN[C@H](C)Cc2ccc(OC)c(S(=O)(=O)N)c2)cc1,"InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1",DRHKJLXJIQTDTD-OAHLLOKOSA-N
BMGC_DG02657,BMG_DG024296,C1=CC(=C(C(=C1)F)CN2C=C(N=N2)C(=O)N)F,c1(nnn(c1)Cc2c(F)cccc2F)C(=O)N,"InChI=1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)",POGQSBRIGCQNEG-UHFFFAOYSA-N
BMGC_DG02658,BMG_DG024301,,c1nccc2c(Cl)ccc(c12)S(=O)(=O)NCCN,,OGKYMFFYOWUTKV-UHFFFAOYSA-N
BMGC_DG02659,BMG_DG024309,C[C@@H](C(F)(F)F)N1C(=C(C(=N1)C2=CC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)F)OC)C(=O)N)N,c1cc(ccc1-c2nn(c(c2C(N)=O)N)[C@@H](C)C(F)(F)F)CNC(c3c(ccc(c3)F)OC)=O,"InChI=1S/C22H21F4N5O3/c1-11(22(24,25)26)31-19(27)17(20(28)32)18(30-31)13-5-3-12(4-6-13)10-29-21(33)15-9-14(23)7-8-16(15)34-2/h3-9,11H,10,27H2,1-2H3,(H2,28,32)(H,29,33)/t11-/m0/s1",FWZAWAUZXYCBKZ-NSHDSACASA-N
BMGC_DG02660,BMG_DG024310,C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=CC(=C3)O,N1(c2c(C=Cc3c1cccc3)cc(cc2)O)C(=O)N,"InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19)",VPZIYMMSJFWLSP-UHFFFAOYSA-N
BMGC_DG02661,BMG_DG024315,C[C@H]1CCN1C2=NC(=CC(=N2)N3C[C@@H]4[C@H](C3)C4CC(=O)O)C(F)(F)F,[C@@]12([C@](CN(C1)c3cc(nc(n3)N4CC[C@@H]4C)C(F)(F)F)([C@H]2CC(O)=O)[H])[H],"InChI=1S/C16H19F3N4O2/c1-8-2-3-23(8)15-20-12(16(17,18)19)5-13(21-15)22-6-10-9(4-14(24)25)11(10)7-22/h5,8-11H,2-4,6-7H2,1H3,(H,24,25)/t8-,9?,10-,11+/m0/s1",MDUYWDNWFXSMJJ-OFLUOSHYSA-N;MDUYWDNWFXSMJJ-XWLWVQCSSA-N
BMGC_DG02662,BMG_DG024550,C[C@@H](CC[C@@H](C(C)(C)O)O)[C@@H]1CC[C@H]\2[C@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C,,"InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25-,27-/m0/s1",FCKJYANJHNLEEP-NPJDIKHJSA-N
BMGC_DG02663,BMG_DG024557,CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO.OS(=O)(=O)O,S(O)(O)(=O)=O.N(CCCC(Nc1c2c(cc(cc2)Cl)ncc1)C)(CCO)CC,"InChI=1S/C18H26ClN3O.H2O4S/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18;1-5(2,3)4/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21);(H2,1,2,3,4)",JCBIVZZPXRZKTI-UHFFFAOYSA-N
BMGC_DG02664,BMG_DG024558,,Brc1cc2C(=NCC(Nc2cc1)=O)c3c(F)cccc3,,ZRKDDZBVSZLOFS-UHFFFAOYSA-N
BMGC_DG02665,BMG_DG024589,CC(C)(C1=CC=CC=C1)NC(=O)C2=CN(C3=C2C=CC=N3)CCCCCF,FCCCCCn1cc(c2cccnc12)C(=O)NC(C)(C)c3ccccc3,"InChI=1S/C22H26FN3O/c1-22(2,17-10-5-3-6-11-17)25-21(27)19-16-26(15-8-4-7-13-23)20-18(19)12-9-14-24-20/h3,5-6,9-12,14,16H,4,7-8,13,15H2,1-2H3,(H,25,27)",MXJYOUMYJGNQEY-UHFFFAOYSA-N
BMGC_DG02666,BMG_DG024624,COC1=CC(=C(C(=C1O)Cl)NC2=CC=CC=C2CC(=O)O)Cl,c1(c(cccc1)Nc2c(cc(c(c2Cl)O)OC)Cl)CC(O)=O,"InChI=1S/C15H13Cl2NO4/c1-22-11-7-9(16)14(13(17)15(11)21)18-10-5-3-2-4-8(10)6-12(19)20/h2-5,7,18,21H,6H2,1H3,(H,19,20)",YALZBLAHGKGDMB-UHFFFAOYSA-N
BMGC_DG02667,BMG_DG024756,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)C(=C7[C@@]([C@@H](C(=N7)C=C8C([C@@H](C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",FDJOLVPMNUYSCM-WZHZPDAFSA-L
BMGC_DG02668,BMG_DG024815,,C1(=C(Cc2c1cccc2)CCN(C)C)[C@H](c3ncccc3)C,,MVMQESMQSYOVGV-HNNXBMFYSA-N
BMGC_DG02669,BMG_DG024907,,C(OC(N[C@H](Cc1ccc(OC(C)(C)C)cc1)C(O)=O)=O)C2c3c(-c4c2cccc4)cccc3,,JAUKCFULLJFBFN-RUZDIDTESA-N
BMGC_DG02670,BMG_DG024930,C1=CC(=C(C=C1C(C(=O)O)N)O)C(=O)O,c1(cc(ccc1C(O)=O)C(C(O)=O)N)O,"InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-5(8(12)13)6(11)3-4/h1-3,7,11H,10H2,(H,12,13)(H,14,15)",GXZSAQLJWLCLOX-UHFFFAOYSA-N
BMGC_DG02671,BMG_DG024935,,n1-2c(c(-c3nc(C(C)C)on3)nc1)CN(C)C(c4c2cccc4Cl)=O,,SEWXZWMBVGJJPG-UHFFFAOYSA-N
BMGC_DG02672,BMG_DG025004,,CC1CC(=O)NN=C1c2ccc3N(C)C(=O)CCc3c2,,JHPWSIOCWUJGJE-UHFFFAOYSA-N
BMGC_DG02673,BMG_DG025060,,C[C@@]12[C@]([C@]3([C@@](c4c(C(=O)C3)cc(O)cc4)(CC1)[H])[H])(CCC2=O)[H],,JOVYPIGRPWIXHQ-ONUSSAAZSA-N
BMGC_DG02674,BMG_DG025079,CCCC1(CCC2(CC1)CCN(C2)CCCN(CC)CC)CCC,C1N(CCC21CCC(CC2)(CCC)CCC)CCCN(CC)CC,"InChI=1S/C22H44N2/c1-5-10-21(11-6-2)12-14-22(15-13-21)16-19-24(20-22)18-9-17-23(7-3)8-4/h5-20H2,1-4H3",SERHTTSLBVGRBY-UHFFFAOYSA-N
BMGC_DG02675,BMG_DG025092,,CCC(=O)CCC(C)(C)O,,FGPMBONEKHYAHO-UHFFFAOYSA-N
BMGC_DG02676,BMG_DG025104,C(CCCCCCCC1=NNN=N1)CCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCCOCCOCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)CSC[C@@H](C(=O)O)N)C(=O)N)C(=O)O)C(=O)O,,"InChI=1S/C54H95N13O20S2/c55-39(52(76)77)37-88-38-50(74)57-25-15-14-17-40(51(56)75)60-48(72)35-86-32-30-85-29-27-59-45(69)23-21-41(53(78)79)61-46(70)24-22-42(54(80)81)62-49(73)36-87-33-31-84-28-26-58-44(68)20-16-34-89(82,83)65-47(71)19-13-11-9-7-5-3-1-2-4-6-8-10-12-18-43-63-66-67-64-43/h39-42H,1-38,55H2,(H2,56,75)(H,57,74)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,73)(H,65,71)(H,76,77)(H,78,79)(H,80,81)(H,63,64,66,67)/t39-,40-,41-,42-/m0/s1",VTUYEWRWJTWXPQ-IWWWZYECSA-N
BMGC_DG02677,BMG_DG025151,,,,
BMGC_DG02678,BMG_DG025158,,n1n[nH]c(n1)CCCOc2cc(OCc3nc4ccccc4cc3)ccc2,,XDPLTERFGJAMRU-UHFFFAOYSA-N
BMGC_DG02679,BMG_DG025186,CCCCP(=O)(CCCN)O,P(=O)(O)(CCCN)CCCC,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)",ONNMDRQRSGKZCN-UHFFFAOYSA-N
BMGC_DG02680,BMG_DG025192,,CC1C(=O)CCC1=O,,HXZILEQYFQYQCE-UHFFFAOYSA-N
BMGC_DG02681,BMG_DG025206,CC1=CC(=CC(=N1)C)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F,,"InChI=1S/C20H16F2N2O3/c1-9-5-11(6-10(2)23-9)16-15(21)7-13-18(17(16)22)24(12-3-4-12)8-14(19(13)25)20(26)27/h5-8,12H,3-4H2,1-2H3,(H,26,27)",WHXJSJBKDGZVDA-UHFFFAOYSA-N
BMGC_DG02682,BMG_DG025236,CC1(CN[Se]C2=CC=CC=C21)C,N1[Se]c2ccccc2C(C1)(C)C,"InChI=1S/C10H13NSe/c1-10(2)7-11-12-9-6-4-3-5-8(9)10/h3-6,11H,7H2,1-2H3",FXRYWOJYVGJZLE-UHFFFAOYSA-N
BMGC_DG02683,BMG_DG025237,C1CCC(CC1)NC=O,O=CNC1CCCCC1,"InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)",SWGXDLRCJNEEGZ-UHFFFAOYSA-N
BMGC_DG02684,BMG_DG025247,,c1cc(ccc1O)C#N,,CVNOWLNNPYYEOH-UHFFFAOYSA-N
BMGC_DG02685,BMG_DG025249,,n1c(-c2cc(F)c3c(n(C4CC4)c(C)n3)c2)c(cnc1Nc5nc6c(CN(CC6)CCN(C)C)cc5)F,,UZUCFTPPULEGQO-UHFFFAOYSA-N
BMGC_DG02686,BMG_DG025250,,n1c(ccc2CN(CCc12)CCN(C)C)Nc3nc(c(cn3)F)-c4cc(c5c(n(c(n5)C)C(C)C)c4)F,,KGMVZSJAPXYTKH-UHFFFAOYSA-N
BMGC_DG02687,BMG_DG025256,,COc1ccc2cc(ccc2c1)C(C)C(O)=O,,CMWTZPSULFXXJA-UHFFFAOYSA-N
BMGC_DG02688,BMG_DG025265,C[C@@H](C1=CC=CC=C1F)NC2=CC(=NC3=C2C=NN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl,C(OP(CP(=O)(O)O)(=O)O)[C@H]1O[C@@H](n2ncc3c(cc(Cl)nc32)N[C@H](c4ccccc4F)C)[C@H](O)[C@@H]1O,"InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1",MFYLCAMJNGIULC-KCVUFLITSA-N
BMGC_DG02689,BMG_DG025268,CC1=CC(=NC(=N1)N)C,c1(cc(nc(n1)N)C)C,"InChI=1S/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)",IDQNBVFPZMCDDN-UHFFFAOYSA-N
BMGC_DG02690,BMG_DG025277,C1CC2(C1)C(=O)N(C(=S)N2C3=CN=C(C=C3)OC4CCNCC4)C5=CC(=C(N=C5)C#N)C(F)(F)F,c1(c(cc(cn1)N2C(N(C3(CCC3)C2=O)c4cnc(cc4)OC5CCNCC5)=S)C(F)(F)F)C#N,"InChI=1S/C23H21F3N6O2S/c24-23(25,26)17-10-15(13-29-18(17)11-27)31-20(33)22(6-1-7-22)32(21(31)35)14-2-3-19(30-12-14)34-16-4-8-28-9-5-16/h2-3,10,12-13,16,28H,1,4-9H2",OUEHJEYKNYQVRC-UHFFFAOYSA-N
BMGC_DG02691,BMG_DG025279,C1CC2=C(C=CC(=C2)C(=O)O)C(=C(C1)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)O[C@H]5CCN(C5)CCCF,c12c(C(=C(CCC1)c3c(cc(cc3)Cl)Cl)c4ccc(cc4)O[C@@H]5CN(CC5)CCCF)ccc(c2)C(=O)O,"InChI=1S/C31H30Cl2FNO3/c32-23-8-12-27(29(33)18-23)28-4-1-3-21-17-22(31(36)37)7-11-26(21)30(28)20-5-9-24(10-6-20)38-25-13-16-35(19-25)15-2-14-34/h5-12,17-18,25H,1-4,13-16,19H2,(H,36,37)/t25-/m0/s1",KISZAGQTIXIVAR-VWLOTQADSA-N
BMGC_DG02692,BMG_DG025281,,c1ccc2c([nH]c3cccc(OC[C@H](CNC(C)C)O)c23)c1,,BQXQGZPYHWWCEB-ZDUSSCGKSA-N
BMGC_DG02693,BMG_DG025313,COC(=O)N1CCC[C@@H]([C@@H]1COC2CCC(CC2)C3=CC=CC=C3)NS(=O)(=O)C,N1([C@H]([C@H](CCC1)NS(=O)(=O)C)CO[C@H]2CC[C@H](CC2)c3ccccc3)C(=O)OC,"InChI=1S/C21H32N2O5S/c1-27-21(24)23-14-6-9-19(22-29(2,25)26)20(23)15-28-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-20,22H,6,9-15H2,1-2H3/t17?,18?,19-,20-/m0/s1",UXZAJSZFFARTEI-YRPNKDGESA-N;UXZAJSZFFARTEI-GUMHCPJTSA-N
BMGC_DG02694,BMG_DG025316,CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C,S1(C([C@H](C(=O)O)N2[C@]1(CC2=O)[H])(C)C)(=O)=O,"InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1",FKENQMMABCRJMK-RITPCOANSA-N
BMGC_DG02695,BMG_DG025326,CN1C=C(C=N1)C2=CN3C(=CC=N3)C(=N2)C4=CN(N=C4)C5(CC(C5)C#N)CC#N,C(C#N)[C@@]1(C[C@@H](C1)C#N)n2cc(cn2)-c3c4n(cc(n3)-c5cnn(c5)C)ncc4,"InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3",XPLZTJWZDBFWDE-UHFFFAOYSA-N;XPLZTJWZDBFWDE-OYOVHJISSA-N
BMGC_DG02696,BMG_DG025330,C1CC2=C(C=CC(=C2)Cl)N(C1)CC3=CC=C(C=C3)C(=O)NO,ONC(=O)c1ccc(CN2CCCc3c2ccc(Cl)c3)cc1,"InChI=1S/C17H17ClN2O2/c18-15-7-8-16-14(10-15)2-1-9-20(16)11-12-3-5-13(6-4-12)17(21)19-22/h3-8,10,22H,1-2,9,11H2,(H,19,21)",MNAYBFFSFQRSIT-UHFFFAOYSA-N
BMGC_DG02697,BMG_DG025348,C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCOCC5=CN(N=N5)CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCN6C7=NC=NC(=C7C(=N6)C8=CC9=C(C=C8)OC(=N9)N)N)C)/C)O)OC)C)C)/C)OC,,"InChI=1S/C91H138N12O24/c1-60-18-12-11-13-19-61(2)76(112-8)55-70-24-21-66(7)91(111,127-70)85(108)88(109)102-29-16-14-20-72(102)89(110)125-77(56-73(104)62(3)51-65(6)83(107)84(114-10)82(106)64(5)50-60)63(4)52-67-22-25-75(78(53-67)113-9)124-49-48-123-58-69-57-101(100-98-69)31-33-116-35-37-118-39-41-120-43-45-122-47-46-121-44-42-119-40-38-117-36-34-115-32-27-79(105)94-28-15-17-30-103-87-80(86(92)95-59-96-87)81(99-103)68-23-26-74-71(54-68)97-90(93)126-74/h11-13,18-19,23,26,51,54,57,59-60,62-64,66-67,70,72,75-78,83-84,107,111H,14-17,20-22,24-25,27-50,52-53,55-56,58H2,1-10H3,(H2,93,97)(H,94,105)(H2,92,95,96)/b13-11+,18-12+,61-19+,65-51+/t60-,62-,63-,64-,66-,67+,70+,72+,75-,76+,77+,78-,83-,84+,91-/m1/s1",QDOGZMBPRITPMZ-XIQIGJHASA-N
BMGC_DG02698,BMG_DG025357,,c1(ccc(C(Oc2ccc(CC(=O)O)cc2)=O)cc1)NC(N)=N,,XTKGXPFBKPYFDW-UHFFFAOYSA-N
BMGC_DG02699,BMG_DG025384,CCC1=CC(=C(C(=C1)Cl)OC)N2CCN(CC2)CC(CCNC(=O)C3=CC4=CC=CC=C4N3)O,,"InChI=1S/C26H33ClN4O3/c1-3-18-14-21(27)25(34-2)24(15-18)31-12-10-30(11-13-31)17-20(32)8-9-28-26(33)23-16-19-6-4-5-7-22(19)29-23/h4-7,14-16,20,29,32H,3,8-13,17H2,1-2H3,(H,28,33)",NRSBRNRWCATXOT-UHFFFAOYSA-N
BMGC_DG02700,BMG_DG025385,CCC1=CC(=C(C(=C1)Cl)OC)N2CCN(CC2)C[C@@H](CCNC(=O)C3=CC4=CC=CC=C4N3)O,,"InChI=1S/C26H33ClN4O3/c1-3-18-14-21(27)25(34-2)24(15-18)31-12-10-30(11-13-31)17-20(32)8-9-28-26(33)23-16-19-6-4-5-7-22(19)29-23/h4-7,14-16,20,29,32H,3,8-13,17H2,1-2H3,(H,28,33)/t20-/m1/s1",NRSBRNRWCATXOT-HXUWFJFHSA-N
BMGC_DG02701,BMG_DG025386,,c1cc(Cl)ccc1CN2CCC(CC2)n3c([nH]c4cc(Cl)c(Cl)cc34)=O,,LAGUDYUGRSQDKS-UHFFFAOYSA-N
BMGC_DG02702,BMG_DG025405,C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)O,N1([C@@H](CCC1)C(=O)O)C([C@H]([C@@H](C)O)NC([C@H](CS(=O)(=O)O)NC(CNC([C@H](CCCNC(N)=N)NC(CN)=O)=O)=O)=O)=O,"InChI=1S/C22H39N9O11S/c1-11(32)17(20(37)31-7-3-5-14(31)21(38)39)30-19(36)13(10-43(40,41)42)29-16(34)9-27-18(35)12(28-15(33)8-23)4-2-6-26-22(24)25/h11-14,17,32H,2-10,23H2,1H3,(H,27,35)(H,28,33)(H,29,34)(H,30,36)(H,38,39)(H4,24,25,26)(H,40,41,42)/t11-,12+,13+,14+,17+/m1/s1",MYZAXBZLEILEBR-RVFOSREFSA-N
BMGC_DG02703,BMG_DG025460,CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)OC)C=CC=N3,c1(ccc(cc1)C)S(=O)(=O)Nc2cc(cc3cccnc23)OC,"InChI=1S/C17H16N2O3S/c1-12-5-7-15(8-6-12)23(20,21)19-16-11-14(22-2)10-13-4-3-9-18-17(13)16/h3-11,19H,1-2H3",HKRNYOZJJMFDBV-UHFFFAOYSA-N
BMGC_DG02704,BMG_DG025464,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O,[C@]12([C@H]([C@H]([C@@H]([C@H](N1C(C(N2)=O)=O)CO)O)O)O)[H],"InChI=1S/C8H12N2O6/c11-1-2-3(12)4(13)5(14)6-9-7(15)8(16)10(2)6/h2-6,11-14H,1H2,(H,9,15)/t2-,3-,4+,5+,6+/m1/s1",OIURYJWYVIAOCW-PQMKYFCFSA-N
BMGC_DG02705,BMG_DG025470,,C(c1ccccc1)(c2ccccc2)(C)C,,MILSYCKGLDDVLM-UHFFFAOYSA-N
BMGC_DG02706,BMG_DG025506,C1=CC=C(C(=C1)C(=O)NCCC[C@@H](C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O,c1(ccc(NCc2cnc3nc(N)nc(c3n2)N)cc1)C(N[C@H](C(O)=O)CCCNC(=O)c4c(cccc4)C(=O)O)=O,"InChI=1S/C27H27N9O6/c28-21-20-22(36-27(29)35-21)32-13-16(33-20)12-31-15-9-7-14(8-10-15)23(37)34-19(26(41)42)6-3-11-30-24(38)17-4-1-2-5-18(17)25(39)40/h1-2,4-5,7-10,13,19,31H,3,6,11-12H2,(H,30,38)(H,34,37)(H,39,40)(H,41,42)(H4,28,29,32,35,36)/t19-/m0/s1",NYQPLPNEESYGNO-IBGZPJMESA-N
BMGC_DG02707,BMG_DG025513,,O=C(c1ccccc1)Oc2ccc3c(c2)c4c([nH]3)c(c5c(c4C)c([nH]cc5)=O)C,,BPGBAEXPBQHBSV-UHFFFAOYSA-N
BMGC_DG02708,BMG_DG025551,,[nH]1c2c(c3ccccc13)cncc2,,RDMFHRSPDKWERA-UHFFFAOYSA-N
BMGC_DG02709,BMG_DG025554,,,,
BMGC_DG02710,BMG_DG025555,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CNC=O)O)O)OP(=O)(O)O,O=CNCC(=O)N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,"InChI=1S/C8H15N2O9P/c11-3-9-1-5(12)10-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1",VDXLUNDMVKSKHO-XVFCMESISA-N
BMGC_DG02711,BMG_DG025584,CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O,c1(c(nc(n1Cc2ccc(-c3c(-c4nnn[nH]4)cccc3)cc2)CCC)C(O)(C)C)C(OCc5oc(=O)oc5C)=O,"InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)",UQGKUQLKSCSZGY-UHFFFAOYSA-N
BMGC_DG02712,BMG_DG025622,C1=CC2=NC=C(N2C=C1)CC(O)(P(=O)(O)O)P(=O)(O)O,C(Cc1cnc2ccccn21)(O)(P(=O)(O)O)P(=O)(O)O,"InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)",VMMKGHQPQIEGSQ-UHFFFAOYSA-N
BMGC_DG02713,BMG_DG025634,COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC,O=C(OC)c1ccc(-c2ccc(C(=O)OC)cc2)cc1,"InChI=1S/C16H14O4/c1-19-15(17)13-7-3-11(4-8-13)12-5-9-14(10-6-12)16(18)20-2/h3-10H,1-2H3",BKRIRZXWWALTPU-UHFFFAOYSA-N
BMGC_DG02714,BMG_DG025668,CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34,[C@]12([C@]([C@]3([C@]([C@@]4(C(=CC(CC4)=O)CC3)[H])([H])CC1)[H])(CC[C@]2(C#C)O)[H])CC;[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC1)[H])(CCC(=O)C4)[H])[H])(CC[C@]2(C#C)O)[H])CC,"InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1",WWYNJERNGUHSAO-XUDSTZEESA-N
BMGC_DG02715,BMG_DG025686,,N1(c2c(ccc(c2)Cl)Sc3c1cccc3)C(CCN(CC)CC)=O,,ZZKWNLZUYAGVOT-UHFFFAOYSA-N
BMGC_DG02716,BMG_DG025692,,OC(=O)CCC(=O)CF,,MBVLGMJBSFUHKW-UHFFFAOYSA-N
BMGC_DG02717,BMG_DG025694,CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4C)N,[C@@]12([C@@]3([C@H](COC(=O)N)C=4C(C(N)=C(C(C4N3C[C@@]2(N1C)[H])=O)C)=O)OC)[H],"InChI=1S/C16H20N4O5/c1-6-10(17)13(22)9-7(5-25-15(18)23)16(24-3)14-8(19(14)2)4-20(16)11(9)12(6)21/h7-8,14H,4-5,17H2,1-3H3,(H2,18,23)/t7-,8+,14+,16-,19?/m1/s1",HRHKSTOGXBBQCB-VFWICMBZSA-N
BMGC_DG02718,BMG_DG025709,CC(C)(CO)[C@H](C(=O)NCCCO)O,[C@H](C(NCCCO)=O)(C(CO)(C)C)O,"InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1",SNPLKNRPJHDVJA-ZETCQYMHSA-N
BMGC_DG02719,BMG_DG025737,C(C(F)(F)F)F,C(F)(F)(F)CF,"InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2",LVGUZGTVOIAKKC-UHFFFAOYSA-N
BMGC_DG02720,BMG_DG025761,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ca+2].[Ca+2].[Ca+2],[O-]C(=O)CC(O)(C(=O)[O-])CC(=O)[O-].[Ca+2].[O-]C(=O)CC(O)(C(=O)[O-])CC(=O)[O-].[Ca+2].[Ca+2],"InChI=1S/2C6H8O7.3Ca/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",FNAQSUUGMSOBHW-UHFFFAOYSA-H
BMGC_DG02721,BMG_DG025785,CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CC=C3,n1(c2cc(c(c(c2c(C(=O)OCC)c1CSc3ccccc3)CN(C)C)O)Br)C,"InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3",KCFYEAOKVJSACF-UHFFFAOYSA-N
BMGC_DG02722,BMG_DG025789,C1=CC=C(C=C1)CCOC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N,Nc1c2c(n(cn2)[C@@]3(O[C@H](CO)[C@@H](O)[C@H]3O)[H])nc(OCCc4ccccc4)n1,"InChI=1S/C18H21N5O5/c19-15-12-16(22-18(21-15)27-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)28-17/h1-5,9,11,13-14,17,24-26H,6-8H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1",LNJMSJMYTVMMGS-LSCFUAHRSA-N
BMGC_DG02723,BMG_DG025790,CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2],C([O-])(=O)C(C)O.[Ca+2].C([O-])(=O)C(C)O,"InChI=1S/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",MKJXYGKVIBWPFZ-UHFFFAOYSA-L
BMGC_DG02724,BMG_DG025805,,C(c1ccc(C(C(O)=O)C)cc1)[C@@H]2[C@H](O)CCC2,,SHAHPWSYJFYMRX-WDEVSDKISA-N
BMGC_DG02725,BMG_DG025811,,,,
BMGC_DG02726,BMG_DG025818,,N1(CCC(CC1)(O)c2cc(c(cc2)Cl)C(F)(F)F)CCC(C(=O)N(C)C)(c3ccccc3)c4ccccc4,,WPYGCZCMGMVGNO-UHFFFAOYSA-N
BMGC_DG02727,BMG_DG025819,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)OP(=O)([O-])[O-])S(=O)(=O)C3=CC=C(C=C3)N.[Ca+2],S(N(C[C@@H](OP([O-])([O-])=O)[C@@H](NC(O[C@H]1CCOC1)=O)Cc2ccccc2)CC(C)C)(c3ccc(cc3)N)(=O)=O.[Ca+2],"InChI=1S/C25H36N3O9PS.Ca/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21;/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32);/q;+2/p-2/t21-,23-,24+;/m0./s1",PMDQGYMGQKTCSX-HQROKSDRSA-L
BMGC_DG02728,BMG_DG025820,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)OP(=O)(O)O)S(=O)(=O)C3=CC=C(C=C3)N,S(N(C[C@@H](OP(O)(O)=O)[C@@H](NC(O[C@H]1CCOC1)=O)Cc2ccccc2)CC(C)C)(c3ccc(cc3)N)(=O)=O,"InChI=1S/C25H36N3O9PS/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32)/t21-,23-,24+/m0/s1",MLBVMOWEQCZNCC-OEMFJLHTSA-N
BMGC_DG02729,BMG_DG025825,,CCCc1cc(=O)c2ccc(C)nc2[nH]1,,JAFFZYFREVCDTP-UHFFFAOYSA-N
BMGC_DG02730,BMG_DG025843,CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCC(=O)C3,,"InChI=1S/C16H22N4O3/c1-3-7-19-14-12(15(22)20(8-4-2)16(19)23)17-13(18-14)10-5-6-11(21)9-10/h10H,3-9H2,1-2H3,(H,17,18)",RUHGOZFOVBMWOO-UHFFFAOYSA-N
BMGC_DG02731,BMG_DG025846,,c1(Cn2c3c(ccc(c3)NC(NC4CCCCC4)=O)nc2CCCC)ccc(-c5c(cccc5)C(O)=O)cc1,,OLQFKFSAJNUOPT-UHFFFAOYSA-N
BMGC_DG02732,BMG_DG025848,C[N+]1(CCN(CC1)C2=CC=CC=C2)C,[N+]1(CCN(CC1)c2ccccc2)(C)C,"InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1",MKGIQRNAGSSHRV-UHFFFAOYSA-N
BMGC_DG02733,BMG_DG025854,,,,
BMGC_DG02734,BMG_DG025868,COC1=C(C=CC(=C1)Cl)CCNC(=O)C2=CC=C(C=C2)OC3=C(C=C4[C@H](CCOC4=C3)C(=O)O)Cl,C1C[C@@H](c2cc(c(cc2O1)Oc3ccc(cc3)C(NCCc4c(cc(cc4)Cl)OC)=O)Cl)C(=O)O,"InChI=1S/C26H23Cl2NO6/c1-33-22-12-17(27)5-2-15(22)8-10-29-25(30)16-3-6-18(7-4-16)35-24-14-23-20(13-21(24)28)19(26(31)32)9-11-34-23/h2-7,12-14,19H,8-11H2,1H3,(H,29,30)(H,31,32)/t19-/m0/s1",QIDYUNXQPQEJEC-IBGZPJMESA-N
BMGC_DG02735,BMG_DG025954,CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C,c1c(c-2c3c(c1)c(c(n3C)C(=O)O)CCCOc4cc(cc5c4cccc5)SCc6cc(nn6C)CSCc7nn(c(c27)C)C)Cl,"InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43)",KBQCEQAXHPIRTF-UHFFFAOYSA-N
BMGC_DG02736,BMG_DG025987,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-][C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3],[Co+3].C/12=N[C@@](C3[N-]/C(=C(\C4=NC(=C\C5=NC(=C1/C)/[C@]([C@@H]5CCC(=O)N)(CC(=O)N)C)/C([C@@H]4CCC(=O)N)(C)C)/C)/[C@@]([C@H]3CC(=O)N)(CCC(NC[C@H](OP(O[C@@H]6[C@H](O[C@H](n7cnc8c7cc(c(c8)C)C)[C@@H]6O)CO)([O-])=O)C)=O)C)([C@]([C@@H]2CCC(=O)N)(CC(=O)N)C)C.[C@@H]1([C@H]([C@@H]([C@H](O1)[CH2-])O)O)n2c3ncnc(c3nc2)N,"InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;4-,6-,7+,10-;/m11./s1",OAJLVMGLJZXSGX-NDSREFPTSA-L
BMGC_DG02737,BMG_DG026035,CC(C)CCC(=O)CC1C2=CC=CC=C2C(=O)N1C3=NC4=C(C=C3)C=CC(=N4)Cl,CC(C)CCC(=O)C[C@@H]1N(C(=O)c2ccccc12)c3ccc4ccc(Cl)nc4n3,"InChI=1S/C23H22ClN3O2/c1-14(2)7-10-16(28)13-19-17-5-3-4-6-18(17)23(29)27(19)21-12-9-15-8-11-20(24)25-22(15)26-21/h3-6,8-9,11-12,14,19H,7,10,13H2,1-2H3",HIUPRQPBWVEQJJ-UHFFFAOYSA-N;HIUPRQPBWVEQJJ-IBGZPJMESA-N
BMGC_DG02738,BMG_DG026122,,,,
BMGC_DG02739,BMG_DG026133,CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CC=C(C=C3)N(C)C,N(C(=O)NCC1(CCCC1)c2ccc(cc2)N(C)C)c3c(cccc3C(C)C)C(C)C,"InChI=1S/C27H39N3O/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31)",PKKNCEXEVUFFFI-UHFFFAOYSA-N
BMGC_DG02740,BMG_DG026134,C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F,C([C@H](C)NCc1ccc(cc1)OCc2cccc(c2)F)(=O)N,"InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1",NEMGRZFTLSKBAP-LBPRGKRZSA-N
BMGC_DG02741,BMG_DG026153,C1=CC=C(C=C1)COCC(C(=O)O)N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)O.[Gd+3],,"InChI=1S/C22H31N3O11.Gd/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16;/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);/q;+3/p-3",MXZROTBGJUUXID-UHFFFAOYSA-K
BMGC_DG02742,BMG_DG026154,,,,
BMGC_DG02743,BMG_DG026155,,,,
BMGC_DG02744,BMG_DG026156,,,,
BMGC_DG02745,BMG_DG026157,,,,
BMGC_DG02746,BMG_DG026161,,,,
BMGC_DG02747,BMG_DG026163,,,,
BMGC_DG02748,BMG_DG026164,,,,
BMGC_DG02749,BMG_DG026166,,,,
BMGC_DG02750,BMG_DG026173,,,,
BMGC_DG02751,BMG_DG026176,,,,
BMGC_DG02752,BMG_DG026177,,,,
BMGC_DG02753,BMG_DG026186,,,,
BMGC_DG02754,BMG_DG026188,,,,
BMGC_DG02755,BMG_DG026191,,,,
BMGC_DG02756,BMG_DG026192,,,,
BMGC_DG02757,BMG_DG026194,,,,
BMGC_DG02758,BMG_DG026198,,,,
BMGC_DG02759,BMG_DG026199,,,,
BMGC_DG02760,BMG_DG026200,,,,
BMGC_DG02761,BMG_DG026201,,,,
BMGC_DG02762,BMG_DG026204,,,,
BMGC_DG02763,BMG_DG026206,,,,
BMGC_DG02764,BMG_DG026209,,,,
BMGC_DG02765,BMG_DG026211,,,,
BMGC_DG02766,BMG_DG026212,,,,
BMGC_DG02767,BMG_DG026214,,,,
BMGC_DG02768,BMG_DG026215,,,,
BMGC_DG02769,BMG_DG026216,,,,
BMGC_DG02770,BMG_DG026217,,,,
BMGC_DG02771,BMG_DG026218,,,,
BMGC_DG02772,BMG_DG026220,,,,
BMGC_DG02773,BMG_DG026224,,,,
BMGC_DG02774,BMG_DG026225,,,,
BMGC_DG02775,BMG_DG026226,,,,
BMGC_DG02776,BMG_DG026227,,,,
BMGC_DG02777,BMG_DG026230,,,,
BMGC_DG02778,BMG_DG026232,,,,
BMGC_DG02779,BMG_DG026237,,,,
BMGC_DG02780,BMG_DG026238,,,,
BMGC_DG02781,BMG_DG026239,,,,
BMGC_DG02782,BMG_DG026249,,,,
BMGC_DG02783,BMG_DG026253,,,,
BMGC_DG02784,BMG_DG026255,,,,
BMGC_DG02785,BMG_DG026256,,,,
BMGC_DG02786,BMG_DG026257,,,,
BMGC_DG02787,BMG_DG026258,,,,
BMGC_DG02788,BMG_DG026261,,,,
BMGC_DG02789,BMG_DG026262,,,,
BMGC_DG02790,BMG_DG026263,,,,
BMGC_DG02791,BMG_DG026270,,,,
BMGC_DG02792,BMG_DG026271,CCOC1=CC=C(C=C1)C[C@@H](CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.[Gd+3],,"InChI=1S/C23H33N3O11.Gd/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);/q;+3/p-3/t17-;/m0./s1",PCZHWPSNPWAQNF-LMOVPXPDSA-K
BMGC_DG02793,BMG_DG026274,,,,
BMGC_DG02794,BMG_DG026278,,,,
BMGC_DG02795,BMG_DG026280,,,,
BMGC_DG02796,BMG_DG026281,,,,
BMGC_DG02797,BMG_DG026283,C1(C(C(OC(C1OC2C(C(C(C(O2)C(=O)O)P)O)O)C(=O)O)OP)O)O,,"InChI=1S/C12H20O12P2/c13-1-3(15)12(24-26)22-6(9(17)18)5(1)21-11-4(16)2(14)8(25)7(23-11)10(19)20/h1-8,11-16H,25-26H2,(H,17,18)(H,19,20)",FHVDTGUDJYJELY-UHFFFAOYSA-N
BMGC_DG02798,BMG_DG026284,O.[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Mg+2].[Al+3].[Al+3],[Mg+2].[Al+3].[O-][Si]([O-])([O-])[O-].O.[O-][Si]([O-])([O-])[O-].[Al+3],"InChI=1S/2Al.Mg.2O4Si.H2O/c;;;2*1-5(2,3)4;/h;;;;;1H2/q2*+3;+2;2*-4;",XFKLULFTFNRQOX-UHFFFAOYSA-N
BMGC_DG02799,BMG_DG026325,,Clc1ccc(S(=O)(=O)NCCCCC(CCCc2cccnc2)CCC(O)=O)cc1,,ISMHAZMNDUAHLK-UHFFFAOYSA-N
BMGC_DG02800,BMG_DG026327,[CH3-].CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)C(=C7[C@@]([C@@H](C(=N7)C=C8C([C@@H](C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3],,"InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;-1;+3/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",ZFLASALABLFSNM-WYVZQNDMSA-L
BMGC_DG02801,BMG_DG026350,C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]7CCCN7C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]8CCCN8C(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC9=CNC1=CC=CC=C19)NC(=O)[C@H](CCSC)N)O,,"InChI=1S/C217H342N68O60S3/c1-103(2)79-139(263-187(319)141(81-105(5)6)272-207(339)169(109(13)14)280-205(337)158-54-37-75-284(158)210(342)110(15)247-175(307)126(48-32-70-237-213(226)227)250-191(323)145(262-173(305)122(219)67-77-347-19)85-115-91-242-123-44-27-24-41-119(115)123)174(306)245-95-165(300)248-151(96-286)198(330)265-140(80-104(3)4)189(321)278-156(101-346)203(335)259-137(68-78-348-20)183(315)249-130(52-36-74-241-217(234)235)185(317)283-172(113(18)293)211(343)285-76-38-53-157(285)204(336)260-134(58-64-162(223)297)182(314)274-154(99-289)202(334)276-153(98-288)200(332)268-148(88-118-94-236-102-246-118)194(326)264-143(83-107(9)10)197(329)282-170(111(16)291)208(340)273-147(87-117-93-244-125-46-29-26-43-121(117)125)193(325)251-127(49-33-71-238-214(228)229)176(308)256-135(59-65-163(224)298)186(318)281-171(112(17)292)209(341)277-155(100-290)201(333)270-150(90-167(303)304)196(328)275-152(97-287)199(331)258-131(55-61-159(220)294)178(310)255-133(57-63-161(222)296)181(313)266-144(84-114-39-22-21-23-40-114)190(322)253-129(51-35-73-240-216(232)233)184(316)279-168(108(11)12)206(338)271-142(82-106(7)8)188(320)269-149(89-164(225)299)195(327)252-128(50-34-72-239-215(230)231)177(309)267-146(86-116-92-243-124-45-28-25-42-120(116)124)192(324)257-136(60-66-166(301)302)179(311)254-132(56-62-160(221)295)180(312)261-138(212(344)345)47-30-31-69-218/h21-29,39-46,91-94,102-113,122,126-158,168-172,242-244,286-293,346H,30-38,47-90,95-101,218-219H2,1-20H3,(H2,220,294)(H2,221,295)(H2,222,296)(H2,223,297)(H2,224,298)(H2,225,299)(H,236,246)(H,245,306)(H,247,307)(H,248,300)(H,249,315)(H,250,323)(H,251,325)(H,252,327)(H,253,322)(H,254,311)(H,255,310)(H,256,308)(H,257,324)(H,258,331)(H,259,335)(H,260,336)(H,261,312)(H,262,305)(H,263,319)(H,264,326)(H,265,330)(H,266,313)(H,267,309)(H,268,332)(H,269,320)(H,270,333)(H,271,338)(H,272,339)(H,273,340)(H,274,314)(H,275,328)(H,276,334)(H,277,341)(H,278,321)(H,279,316)(H,280,337)(H,281,318)(H,282,329)(H,283,317)(H,301,302)(H,303,304)(H,344,345)(H4,226,227,237)(H4,228,229,238)(H4,230,231,239)(H4,232,233,240)(H4,234,235,241)/t110-,111+,112+,113+,122-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,168-,169-,170-,171-,172-/m0/s1",PGOHTUIFYSHAQG-LJSDBVFPSA-N
BMGC_DG02802,BMG_DG028568,CC(=CCC1=C(C=CC(=C1O)C2COC3=CC(=C(C(=C3C2=O)O)CC=C(C)C)OC)O)C,,"InChI=1S/C26H30O6/c1-14(2)6-8-17-20(27)11-10-16(24(17)28)19-13-32-22-12-21(31-5)18(9-7-15(3)4)25(29)23(22)26(19)30/h6-7,10-12,19,27-29H,8-9,13H2,1-5H3",OWVFKLIUBOKWCT-UHFFFAOYSA-N
BMGC_DG02803,BMG_DG074150,C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1,c12c3c(ccc1cccn2)cccn3,InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H,DGEZNRSVGBDHLK-UHFFFAOYSA-N
BMGC_DG02804,BMG_DG074225,B(CCC[C@H]1CN(C[C@]1(C(=O)O)N)C(=O)[C@H](C)N)(O)O,C(=O)([C@]1(N)CN(C(=O)[C@H](C)N)C[C@@H]1CCCB(O)O)O,"InChI=1S/C11H22BN3O5/c1-7(13)9(16)15-5-8(3-2-4-12(19)20)11(14,6-15)10(17)18/h7-8,19-20H,2-6,13-14H2,1H3,(H,17,18)/t7-,8-,11-/m0/s1",ZZJLMZYUGLJBSO-LAEOZQHASA-N
BMGC_DG02805,BMG_DG074253,CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=S)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=C(C(=NC4=O)N)C)OCCOC)OP(=S)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)OCCOC)OP(=S)(O)OC[C@@H]8[C@H]([C@H]([C@@H](O8)N9C=C(C(=NC9=O)N)C)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C(C(=O)NC1=O)C)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C(C(=O)NC1=O)C)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C(C(=O)NC1=O)C)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C(C(=NC1=O)N)C)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C(N=CN=C21)N)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C(C(=O)NC1=O)C)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C(N=CN=C21)N)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C(N=CN=C21)N)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C(C(=O)NC1=O)C)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C(C(=NC1=O)N)C)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C(C(=O)NC1=O)C)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OCCOC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OCCOC)O)OCCOC,,"InChI=1S/C234H340N61O128P17S17/c1-106-66-278(224(308)261-178(106)235)205-162(356-50-32-338-14)144(119(391-205)79-373-425(320,442)407-143-117(77-296)389-204(161(143)355-49-31-337-13)282-70-110(5)193(298)271-228(282)312)410-431(326,448)383-89-129-154(172(366-60-42-348-24)215(401-129)289-99-254-135-182(239)246-95-250-186(135)289)419-436(331,453)379-81-121-145(163(357-51-33-339-15)206(393-121)279-67-107(2)179(236)262-225(279)309)408-426(321,443)375-83-123-149(167(361-55-37-343-19)210(395-123)284-72-112(7)195(300)273-230(284)314)413-429(324,446)378-86-125-150(168(362-56-38-344-20)211(397-125)285-73-113(8)196(301)274-231(285)315)414-430(325,447)377-85-124-148(166(360-54-36-342-18)209(396-124)283-71-111(6)194(299)272-229(283)313)412-428(323,445)374-80-120-147(165(359-53-35-341-17)208(392-120)281-69-109(4)181(238)264-227(281)311)411-432(327,449)384-90-130-155(173(367-61-43-349-25)216(402-130)290-100-255-136-183(240)247-96-251-187(136)290)420-437(332,454)381-87-127-152(170(364-58-40-346-22)213(399-127)287-75-115(10)198(303)276-233(287)317)415-433(328,450)385-91-131-157(175(369-63-45-351-27)218(403-131)292-102-257-138-185(242)249-98-253-189(138)292)422-440(335,457)386-92-132-156(174(368-62-44-350-26)217(404-132)291-101-256-137-184(241)248-97-252-188(137)291)421-438(333,455)382-88-128-153(171(365-59-41-347-23)214(400-128)288-76-116(11)199(304)277-234(288)318)417-435(330,452)388-94-134-159(177(371-65-47-353-29)220(406-134)295-105-260-141-192(295)267-223(245)270-202(141)307)423-439(334,456)380-82-122-146(164(358-52-34-340-16)207(394-122)280-68-108(3)180(237)263-226(280)310)409-427(322,444)376-84-126-151(169(363-57-39-345-21)212(398-126)286-74-114(9)197(302)275-232(286)316)416-434(329,451)387-93-133-158(176(370-64-46-352-28)219(405-133)294-104-259-140-191(294)266-222(244)269-201(140)306)418-424(319,441)372-78-118-142(297)160(354-48-30-336-12)203(390-118)293-103-258-139-190(293)265-221(243)268-200(139)305/h66-76,95-105,117-134,142-177,203-220,296-297H,30-65,77-94H2,1-29H3,(H,319,441)(H,320,442)(H,321,443)(H,322,444)(H,323,445)(H,324,446)(H,325,447)(H,326,448)(H,327,449)(H,328,450)(H,329,451)(H,330,452)(H,331,453)(H,332,454)(H,333,455)(H,334,456)(H,335,457)(H2,235,261,308)(H2,236,262,309)(H2,237,263,310)(H2,238,264,311)(H2,239,246,250)(H2,240,247,251)(H2,241,248,252)(H2,242,249,253)(H,271,298,312)(H,272,299,313)(H,273,300,314)(H,274,301,315)(H,275,302,316)(H,276,303,317)(H,277,304,318)(H3,243,265,268,305)(H3,244,266,269,306)(H3,245,267,270,307)/t117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,424?,425?,426?,427?,428?,429?,430?,431?,432?,433?,434?,435?,436?,437?,438?,439?,440?/m1/s1",WWFDJIVIDXJAQR-FFWSQMGZSA-N
BMGC_DG02806,BMG_DG075028,CC(=O)C(O)O,,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h3,5-6H,1H3",UOQFZGVGGMHGEE-UHFFFAOYSA-N
BMGC_DG02807,BMG_DG075031,,c1(c(nn(c1-c2ccccc2)CCCCCCCCC(=O)O)-c3ccccc3)-c4ccccc4,,UQKNBUMTTCHIOJ-UHFFFAOYSA-N
BMGC_DG02808,BMG_DG075357,,C(N(CC1=Cc2cc(Oc3ccccc3)ccc2OC1)O)(=O)N,,FPOBKZCHKXONBB-UHFFFAOYSA-N
BMGC_DG02809,BMG_DG078775,,Cc1nc(cc(c1)C(=O)NC(C)(C)C)C#Cc2ccc3c(oc4c3C(=O)c5c(cc(NS(C)(=O)=O)cc5)C4(C)C)c2,,DCGOHGQJHJXBGW-UHFFFAOYSA-N
BMGC_DG02810,BMG_DG078883,,Cc1nc(NC(N2CCC[C@H]2C(=O)O)=O)sc1-c3ccnc(C(C)(C)C(F)(F)F)c3,,ZFOZUOSYVNYMPT-LBPRGKRZSA-N
BMGC_DG02811,BMG_DG079078,,c1(S(CCO)(=O)=O)c(c(OC)cc(c1)[C@H]2O[C@H](c3cc(OC)c(c(c3)OC)OC)CC2)OCCC,,WXIDMVGKJBAEFP-OALUTQOASA-N
BMGC_DG02812,BMG_DG079087,CC1=CN=CN1,c1ncc([nH]1)C,"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)",XLSZMDLNRCVEIJ-UHFFFAOYSA-N
BMGC_DG02813,BMG_DG079111,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCCC2=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)C,,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10?,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1",GMRQFYUYWCNGIN-HVIYGYGUSA-N
BMGC_DG02814,BMG_DG079133,,c1c(cc(c2c1[nH]/c(=N\C(=O)c3cc(nn3CC)C)/n2C/C=C/Cn4/c(/[nH]c5cc(cc(c45)OC)C(=O)N)=N/C(=O)c6n(nc(c6)C)CC)OCCCN7CCOCC7)C(=O)N,,JGLMVXWAHNTPRF-CMDGGOBGSA-N
BMGC_DG02815,BMG_DG079135,,c1c(cc(c([nH]1)=O)C#N)-c2ccncc2,,SEQOYYYZFNJQSV-UHFFFAOYSA-N
BMGC_DG02816,BMG_DG079144,CCNC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC4=C(C=C(C=C4C)F)C)C,Fc1cc(c(Oc2c(-c3c4c([nH]c(c4)C(=O)NCC)c(=O)n(c3)C)cc(C(O)(C)C)cc2)c(c1)C)C,"InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)",OEDSFMUSNZDJFD-UHFFFAOYSA-N
BMGC_DG02817,BMG_DG079162,CC1=C(C=CC=C1N)N,c1(c(cccc1N)N)C,"InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3",RLYCRLGLCUXUPO-UHFFFAOYSA-N
BMGC_DG02818,BMG_DG079166,CN1CCN(CC1)C2=NC=CC(=C2)C(=O)NC3=NC=C4C=CC(=CC4=C3)C5=CN(N=C5)C,c1(ccc2c(c1)cc(nc2)NC(c3ccnc(c3)N4CCN(CC4)C)=O)-c5cnn(c5)C,"InChI=1S/C24H25N7O/c1-29-7-9-31(10-8-29)23-13-18(5-6-25-23)24(32)28-22-12-20-11-17(3-4-19(20)14-26-22)21-15-27-30(2)16-21/h3-6,11-16H,7-10H2,1-2H3,(H,26,28,32)",BQWWOBKMDWACGC-UHFFFAOYSA-N
BMGC_DG02819,BMG_DG079167,,CS(=O)(=O)Nc1ccc(Cc2noc(-c3ccc4[nH]cc(CCN)c4c3)n2)cc1,,HKXMQLISPYELRD-UHFFFAOYSA-N
BMGC_DG02820,BMG_DG079191,C[C@H]1C[C@@H](CC[C@H]1C(=O)N2CC[C@@]3([C@H]2CCC4=C3C=CC(=C4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)C5=CC=C(C=C5)F)C(=O)O,O=C([C@@H]1CC[C@@H](C(=O)N2[C@]3([C@@](CC2)(c4c(cc(cc4)C(F)(C(F)(F)F)C(F)(F)F)CC3)S(=O)(c5ccc(F)cc5)=O)[H])[C@@H](C)C1)O,"InChI=1S/C30H29F8NO5S/c1-16-14-18(26(41)42)2-9-22(16)25(40)39-13-12-27(45(43,44)21-7-5-20(31)6-8-21)23-10-4-19(15-17(23)3-11-24(27)39)28(32,29(33,34)35)30(36,37)38/h4-8,10,15-16,18,22,24H,2-3,9,11-14H2,1H3,(H,41,42)/t16-,18+,22+,24+,27+/m0/s1",JQORWGARJVSRBA-QOTTZFGFSA-N
BMGC_DG02821,BMG_DG079192,CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O,c1(ccc2c3n(c4ccc(cc4c(c31)=O)O)cn2)NCCN(CC)CC,"InChI=1S/C20H22N4O2/c1-3-23(4-2)10-9-21-15-6-7-16-19-18(15)20(26)14-11-13(25)5-8-17(14)24(19)12-22-16/h5-8,11-12,21,25H,3-4,9-10H2,1-2H3",CUNDRHORZHFPLY-UHFFFAOYSA-N
BMGC_DG02822,BMG_DG079193,,CCN(CC)CCNc1ccc2c3c1c(c4cc(ccc4n3c(C)n2)O)=O,,CAHBHXJBZIGLGG-UHFFFAOYSA-N
BMGC_DG02823,BMG_DG079201,CC1=CC(=C(C=C1N(C)[C@H]2CCN(C2)CC3=CC=CC=C3)F)S(=O)(=O)NC4=CSC=N4,N(C)(c1c(C)cc(c(c1)F)S(Nc2cscn2)(=O)=O)[C@@H]3CN(CC3)Cc4ccccc4,"InChI=1S/C22H25FN4O2S2/c1-16-10-21(31(28,29)25-22-14-30-15-24-22)19(23)11-20(16)26(2)18-8-9-27(13-18)12-17-6-4-3-5-7-17/h3-7,10-11,14-15,18,25H,8-9,12-13H2,1-2H3/t18-/m0/s1",UCSHINHOAVARGQ-SFHVURJKSA-N
BMGC_DG02824,BMG_DG079204,,Clc1cc(OCC(=O)O)cc(c1Cc2cc(c(cc2)O)C(C)C)Cl,,DRXFTZNITLYKQA-UHFFFAOYSA-N
BMGC_DG02825,BMG_DG079211,,C(Nc1c2ncccc2ccc1)c3ccc(C(NO)=O)cc3,,BPDQUKCPNSRTTR-UHFFFAOYSA-N
BMGC_DG02826,BMG_DG079234,CC1=C2C=CN(C2=NC=N1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OC4=C5CNCCC5=C(C(=C4)C(F)F)F,[C@H]1(O)[C@H](n2c3ncnc(C)c3cc2)C[C@H](Oc4c5c(CCNC5)c(F)c(C(F)F)c4)[C@H]1O,"InChI=1S/C22H23F3N4O3/c1-10-11-3-5-29(22(11)28-9-27-10)15-7-17(20(31)19(15)30)32-16-6-13(21(24)25)18(23)12-2-4-26-8-14(12)16/h3,5-6,9,15,17,19-21,26,30-31H,2,4,7-8H2,1H3/t15-,17+,19+,20-/m1/s1",HBGHQRGHFNTSDP-DJABAAGCSA-N
BMGC_DG02827,BMG_DG079241,CC1=C(C(=C(C=C1)F)[C@@H](C)[C@@H](C2=NNC(=O)O2)NS(=O)(=O)C3=C(C=C(C=C3)Cl)C(=O)N)C,,"InChI=1S/C20H20ClFN4O5S/c1-9-4-6-14(22)16(10(9)2)11(3)17(19-24-25-20(28)31-19)26-32(29,30)15-7-5-12(21)8-13(15)18(23)27/h4-8,11,17,26H,1-3H3,(H2,23,27)(H,25,28)/t11-,17+/m1/s1",DUYRWEBTZNUILI-DIFFPNOSSA-N
BMGC_DG02828,BMG_DG079245,C[C@H](C1=CC2=C(C=C1)N(CC2)C(=O)C3CCOCC3)NC(=O)C4=CC=C(C=C4)F,C(c1ccc(cc1)F)(=O)N[C@H](C)c2cc3CCN(c3cc2)C(=O)C4CCOCC4,"InChI=1S/C23H25FN2O3/c1-15(25-22(27)16-2-5-20(24)6-3-16)18-4-7-21-19(14-18)8-11-26(21)23(28)17-9-12-29-13-10-17/h2-7,14-15,17H,8-13H2,1H3,(H,25,27)/t15-/m1/s1",NUBWFWVVKLRSHS-OAHLLOKOSA-N
BMGC_DG02829,BMG_DG079260,CCN1C=C(C(=O)C2=CC=CC=C21)S(=O)(=O)N3CCC4(CC3)C[C@H](CO4)NC[C@@H](COC5=CC(=CC=C5)S(=O)(=O)C)O,O=S(c1cccc(OC[C@H](CN[C@@H]2CC3(OC2)CCN(S(c4c(=O)c5c(cccc5)n(CC)c4)(=O)=O)CC3)O)c1)(=O)C,"InChI=1S/C29H37N3O8S2/c1-3-31-18-27(28(34)25-9-4-5-10-26(25)31)42(37,38)32-13-11-29(12-14-32)16-21(19-40-29)30-17-22(33)20-39-23-7-6-8-24(15-23)41(2,35)36/h4-10,15,18,21-22,30,33H,3,11-14,16-17,19-20H2,1-2H3/t21-,22+/m1/s1",PVXLIOIISUUKOQ-YADHBBJMSA-N
BMGC_DG02830,BMG_DG079261,,C([C@H](NC([C@H](NC([C@@H](Cc1ccccc1)NC(CNC[C@H](C)c2ccccc2)=O)=O)CC(C)C)=O)CCCCN)(=O)N3CCC(C(O)=O)(N)CC3,,AYIXVIHRKYGICQ-LHJVHYEPSA-N
BMGC_DG02831,BMG_DG079262,,[C@]12([C@@](N(C)c3c1cc(OC(N4Cc5ccccc5CC4)=O)cc3)(N(C)CC2)[H])C,,IIFRKALDATVOJE-GGAORHGYSA-N
BMGC_DG02832,BMG_DG079265,CCCN(C)C(=O)OCC1=C(N=NN1C)C2=NC(=C(C=C2)O[C@H]3CCC[C@@H](C3)C(=O)O)C,[C@H]1(C[C@H](CCC1)Oc2c(nc(cc2)-c3nnn(c3COC(N(CCC)C)=O)C)C)C(=O)O,"InChI=1S/C22H31N5O5/c1-5-11-26(3)22(30)31-13-18-20(24-25-27(18)4)17-9-10-19(14(2)23-17)32-16-8-6-7-15(12-16)21(28)29/h9-10,15-16H,5-8,11-13H2,1-4H3,(H,28,29)/t15-,16-/m0/s1",UEUNDURNLYLSNB-HOTGVXAUSA-N
BMGC_DG02833,BMG_DG079266,CCNC1=NC(=NC=C1C(F)(F)F)NC2=CC(=NN2C3CC3)C(C)(C)N4N=CC=N4,N(c1n(nc(c1)C(C)(C)n2nccn2)C3CC3)c4nc(NCC)c(cn4)C(F)(F)F,"InChI=1S/C18H22F3N9/c1-4-22-15-12(18(19,20)21)10-23-16(27-15)26-14-9-13(28-29(14)11-5-6-11)17(2,3)30-24-7-8-25-30/h7-11H,4-6H2,1-3H3,(H2,22,23,26,27)",KMRYIKRXGJGPPB-UHFFFAOYSA-N
BMGC_DG02834,BMG_DG079268,,c12c(ccc(n1)C)cccc2O,,NBYLBWHHTUWMER-UHFFFAOYSA-N
BMGC_DG02835,BMG_DG079275,,O(c1nc(C(F)(F)F)cc(c1)CN)c2cc(C(=O)N3C[C@H]([C@@H](C3)O)F)ccc2.Cl,,WCLUQDIEECAJLM-DTPOWOMPSA-N
BMGC_DG02836,BMG_DG079284,COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN([C@@H]4[C@H]3CCCC4)C(=O)C5=CC=CO5)N)OC,o1c(ccc1)C(N2[C@]3(CCCC[C@@]3([H])N(c4nc5cc(OC)c(OC)cc5c(n4)N)CC2)[H])=O,"InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1",XBRXTUGRUXGBPX-DLBZAZTESA-N
BMGC_DG02837,BMG_DG079288,CC1=C(C2=NC=NN2C=C1C3=C(C4=C(N3)C=CC(=C4)C5CCN(CC5)CC(=O)N)C(C)C)C,C(C)(C)c1c([nH]c2c1cc(cc2)C3CCN(CC3)CC(N)=O)-c4cn5c(c(c4C)C)ncn5,"InChI=1S/C26H32N6O/c1-15(2)24-20-11-19(18-7-9-31(10-8-18)13-23(27)33)5-6-22(20)30-25(24)21-12-32-26(28-14-29-32)17(4)16(21)3/h5-6,11-12,14-15,18,30H,7-10,13H2,1-4H3,(H2,27,33)",SNFVHLQYHFQOEP-UHFFFAOYSA-N
BMGC_DG02838,BMG_DG079311,CC1=C(C(=NN1C)C)CCOC2=C(C=CC(=C2F)F)C3=CC4=C(C=C3)N(N=C4CN(C)C)C,C(N(C)C)c1c2c(n(C)n1)ccc(c2)-c3c(OCCc4c(C)n(C)nc4C)c(F)c(F)cc3,"InChI=1S/C25H29F2N5O/c1-15-18(16(2)31(5)28-15)11-12-33-25-19(8-9-21(26)24(25)27)17-7-10-23-20(13-17)22(14-30(3)4)29-32(23)6/h7-10,13H,11-12,14H2,1-6H3",SOXNKJCQBRQUMS-UHFFFAOYSA-N
BMGC_DG02839,BMG_DG079319,,C(n1c2c(cc1C(O)=O)c(Br)cc(Sc3cc(Cl)c(Cl)cc3)c2)c4ccc(C(N(C)C)=O)cc4,,MJYFVDNMTKLGTH-UHFFFAOYSA-N
BMGC_DG02840,BMG_DG079334,C[C@@H]1C[C@H]2C(=O)NC([C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N2C1)C(C)C)C(C)C(=O)O)CC(=O)O)C(C(=O)O)O)CCCCN)C(C)C)NC(=O)[C@H](C(C)C(=O)O)NC(=O)/C=C/C=C\CCC(C)C)C,,"InChI=1S/C56H88N12O20/c1-25(2)17-13-11-12-14-19-35(69)62-40(29(8)54(83)84)50(79)66-42-31(10)59-47(76)34-21-28(7)24-68(34)53(82)39(27(5)6)65-49(78)41(30(9)55(85)86)63-36(70)23-58-45(74)33(22-37(71)72)61-52(81)43(44(73)56(87)88)67-46(75)32(18-15-16-20-57)60-48(77)38(26(3)4)64-51(42)80/h11-12,14,19,25-34,38-44,73H,13,15-18,20-24,57H2,1-10H3,(H,58,74)(H,59,76)(H,60,77)(H,61,81)(H,62,69)(H,63,70)(H,64,80)(H,65,78)(H,66,79)(H,67,75)(H,71,72)(H,83,84)(H,85,86)(H,87,88)/b12-11-,19-14+/t28-,29?,30?,31?,32+,33+,34+,38-,39+,40+,41-,42+,43+,44?/m1/s1",USNOUEMKNKRWQT-ORRWAHHJSA-N
BMGC_DG02841,BMG_DG079335,CCC(C)CC/C=C\C=C\C(=O)N[C@@H](C(C)C(=O)O)C(=O)N[C@H]1C(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C(C)C)CCCCN)C(C(=O)O)O)CC(=O)O)C(C)C(=O)O)C(C)C)C)C,,"InChI=1S/C57H90N12O20/c1-11-28(6)18-14-12-13-15-20-36(70)63-41(30(8)55(84)85)51(80)67-43-32(10)60-48(77)35-22-29(7)25-69(35)54(83)40(27(4)5)66-50(79)42(31(9)56(86)87)64-37(71)24-59-46(75)34(23-38(72)73)62-53(82)44(45(74)57(88)89)68-47(76)33(19-16-17-21-58)61-49(78)39(26(2)3)65-52(43)81/h12-13,15,20,26-35,39-45,74H,11,14,16-19,21-25,58H2,1-10H3,(H,59,75)(H,60,77)(H,61,78)(H,62,82)(H,63,70)(H,64,71)(H,65,81)(H,66,79)(H,67,80)(H,68,76)(H,72,73)(H,84,85)(H,86,87)(H,88,89)/b13-12-,20-15+/t28?,29-,30?,31?,32?,33+,34+,35+,39-,40+,41+,42-,43+,44+,45?/m1/s1",SMTCDPMWINUUKC-AVBBYWJWSA-N
BMGC_DG02842,BMG_DG079370,,CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(CO)n2,,XDTHNROWHAAVPJ-UHFFFAOYSA-N
BMGC_DG02843,BMG_DG079372,,n1(c2c(cc(cc2)COc3cc(C4(CCOCC4)OC)cc(c3)F)ccc1=O)C,,SLZBEPLWGGRZAY-UHFFFAOYSA-N
BMGC_DG02844,BMG_DG079415,,CC(C)(CCCCCc1c(CCCc2ccccc2)ccs1)C(=O)O,,QMXLXSYXJOJQSN-UHFFFAOYSA-N
BMGC_DG02845,BMG_DG079479,CCOC(=O)C1=CC(=C(C(=C1)O)O)O,c1(cc(c(O)c(c1)O)O)C(OCC)=O,"InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3",VFPFQHQNJCMNBZ-UHFFFAOYSA-N
BMGC_DG02846,BMG_DG079487,,c1(c[nH]c2c1cccc2)C[C@H](NC([C@@H](CC(=O)NO)CC(C)C)=O)C(=O)NC,,NITYDPDXAAFEIT-DYVFJYSZSA-N
BMGC_DG02847,BMG_DG079512,,[nH]1cc(c2cc(ccc12)CS(=O)(=O)NC)C[C@@H]3N(CCC3)C,,BWQZTHPHLITOOZ-CQSZACIVSA-N
BMGC_DG02848,BMG_DG079518,,n1c(cc(c2ccccc12)OCc3ccc(cc3)-c4c(cccc4)-c5[nH]nnn5)CC,,FSJCYXPMWQPVOS-UHFFFAOYSA-N
BMGC_DG02849,BMG_DG079519,,C(CN)c1c2c3c(ccc2n(C)c1)OCCC3,,CCGPJPFGXFZHAJ-UHFFFAOYSA-N
BMGC_DG02850,BMG_DG079526,,S=C1N(C(=O)C(C)(C)N1C)c2cc(C(F)(F)F)c(C#N)cc2,,HLBUAKQNKJTEIU-UHFFFAOYSA-N
BMGC_DG02851,BMG_DG079542,,Cn1cc(c2c1cccc2)-c3nc(Nc4c(OC)cc(c(c4)NC(C=C)=O)N(CC[N+]([O-])(C)C)C)ncc3,,LOBAQJFXRBFPOQ-UHFFFAOYSA-N
BMGC_DG02852,BMG_DG079551,,NC[C@H]1O[C@@H](n2nc(Br)c3c(N)ncnc23)[C@H](O)[C@@H]1O,,LTTBFVDMHCIDPM-BHBWVORQSA-N
BMGC_DG02853,BMG_DG079552,,C(OCCN1CCN(CCCc2ccc(F)cc2)CC1)(c3ccc(F)cc3)c4ccc(F)cc4,,OEZGWIMXRXRLRR-UHFFFAOYSA-N
BMGC_DG02854,BMG_DG079554,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)O)OC,,"InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1",MMKYSUOJWFKECQ-SSTWWWIQSA-N
BMGC_DG02855,BMG_DG079567,CCCCC1=NN(C(=N1)CCCC)CC2=CN=C(C=C2)C3=CC=CC=C3C4=NNN=N4,c1(ccc(cn1)Cn2nc(nc2CCCC)CCCC)-c3c(cccc3)-c4nnn[nH]4,"InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-17-13-14-20(24-15-17)18-9-7-8-10-19(18)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)",YONOBYIBNBCDSJ-UHFFFAOYSA-N
BMGC_DG02856,BMG_DG079581,C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@@H]([C@@H](C(O2)CO[C@H]3[C@@H]([C@@H]([C@@H](C(O3)CO)O)O)O)O)O)O,,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11?,12?,13+,14+,15+,16+,17+,18+,19+,20+/m0/s1",XUCIJNAGGSZNQT-PIOKUUOMSA-N
BMGC_DG02857,BMG_DG079590,,c12c(c(=O)n(c(n1CC)=O)CC)[nH]c(n2)-c3ccccc3,,LVSWNSHUTPWCNF-UHFFFAOYSA-N
BMGC_DG02858,BMG_DG079592,,C(c1cc(ccc1)S(=O)(=O)N2CCCCCC2)(=O)Nc3cc(ccc3)Br,,IYAYHZZWYNXHEQ-UHFFFAOYSA-N
BMGC_DG02859,BMG_DG079601,,N1(C(=O)[C@@H]([C@H]1c2ccc(cc2)OC)CCCc3ccccc3)c4ccc(cc4)OC,,IMNTVVOUWFPRSB-JWQCQUIFSA-N
BMGC_DG02860,BMG_DG079607,,c12n(c(C)nc(c1Cc3ccc(-c4c(-c5nnn[nH]5)cccc4)cc3)CCC)[nH]c(n2)=O,,OLJAPHMBAMBVKL-UHFFFAOYSA-N
BMGC_DG02861,BMG_DG079610,C1C[C@@H]([C@@H](NC1)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F,O(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]2[C@@](NCCC2)(c3ccccc3)[H],"InChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2/t17-,18-/m0/s1",FCDRFVCGMLUYPG-ROUUACIJSA-N
BMGC_DG02862,BMG_DG079619,CN=C(N)NCCC[C@@H](C(=O)O)N,C(=N)(NC)NCCC[C@@H](C(=O)O)N,"InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1",NTNWOCRCBQPEKQ-YFKPBYRVSA-N
BMGC_DG02863,BMG_DG079624,CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCCC3,c12c(n(CCC)c(n(c1=O)CCC)=O)[nH]c(n2)C3CCCC3,"InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)",FFBDFADSZUINTG-UHFFFAOYSA-N
BMGC_DG02864,BMG_DG079628,,c12oc(cc(c1ccc3c2cc(O)cc3)=O)-c4ccccc4,,PODSTHAFQFMETD-UHFFFAOYSA-N
BMGC_DG02865,BMG_DG079630,,c1cc2[nH]c(cc2cc1)C(N[C@@H]3C(N4c5c(C(c6ccccc6F)=N3)cccc5CC4)=O)=O,,WKJDXKWFGJWGAS-XMMPIXPASA-N
BMGC_DG02866,BMG_DG079656,,O=c1n2c3c(C[C@@H](NCCC)C2)cccc3[nH]1,,XTWUNLMHXDDOMD-SNVBAGLBSA-N
BMGC_DG02867,BMG_DG079660,,N1(C([C@H](c2c(OC)cccc2)C)=O)C[C@]3([C@](c4c(OC)cccc4)(CCC([C@]3(C1)[H])(c5ccccc5)c6ccccc6)O)[H],,CCIWVEMVBWEMCY-RCFOMQFPSA-N
BMGC_DG02868,BMG_DG079669,C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)O,c1ccncc1C=2[C@@]3([C@]([C@]4([C@]([C@]5(CC[C@@H](CC5=CC4)O)C)([H])CC3)[H])(CC2)[H])C,"InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1",GZOSMCIZMLWJML-VJLLXTKPSA-N
BMGC_DG02869,BMG_DG079670,,c1(nc2c(n1CCOCC)cccc2)C3CCN(CC3)CCc4ccc(cc4)C(C)(C)C,,NPWTVYBPSXCRPM-UHFFFAOYSA-N
BMGC_DG02870,BMG_DG079676,,Cc1cccc(NC(=O)N[C@@H]2N=C(N3CC4CCC(CC4)C3)c5ccccc5N(C)C2=O)c1,,QYERABWMFRRINX-XWEVFREBSA-N
BMGC_DG02871,BMG_DG079678,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)C(=C7[C@@]([C@@H](C(=N7)C=C8C([C@@H](C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",FDJOLVPMNUYSCM-WZHZPDAFSA-L
BMGC_DG02872,BMG_DG079680,,N1(C(N(CCCCO)C(C1=O)(C)C)=O)c2cc(C(F)(F)F)c(C#N)cc2,,ARBYGDBJECGMGA-UHFFFAOYSA-N
BMGC_DG02873,BMG_DG079747,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C4=CC=CC=C4)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C,C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(NC(=O)C=C4)[H])(CC1)[H])[H])(CC[C@@H]2C(NC(C(F)(F)F)(C)c5ccccc5)=O)[H],"InChI=1S/C28H35F3N2O2/c1-25-15-13-20-18(9-12-22-26(20,2)16-14-23(34)32-22)19(25)10-11-21(25)24(35)33-27(3,28(29,30)31)17-7-5-4-6-8-17/h4-8,14,16,18-22H,9-13,15H2,1-3H3,(H,32,34)(H,33,35)/t18-,19-,20-,21+,22+,25-,26+,27?/m0/s1",FAIZUAWLKOHMOP-ZOIXLQFFSA-N
BMGC_DG02874,BMG_DG079748,,CCn1c(=O)ccc2c1ccc(COc3cc(cc(F)c3)C4(CCOCC4)OC)c2,,ZROVOGSXAWNIQB-UHFFFAOYSA-N
BMGC_DG02875,BMG_DG079749,CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)C[C@H]3CC4=CC(=C(C=C34)OC)OC,N1(C(Cc2c(CC1)cc(c(c2)OC)OC)=O)CCCN(C)C[C@@H]3c4cc(c(cc4C3)OC)OC,"InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/t21-/m1/s1",ACRHBAYQBXXRTO-OAQYLSRUSA-N
BMGC_DG02876,BMG_DG079751,CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O,,"InChI=1S/C17H20N4O5S/c1-3-9-20-15-13(16(22)21(10-4-2)17(20)23)18-14(19-15)11-5-7-12(8-6-11)27(24,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)(H,24,25,26)",IWALGNIFYOBRKC-UHFFFAOYSA-N
BMGC_DG02877,BMG_DG079754,,,,
BMGC_DG02878,BMG_DG079755,,c1cc(ccc1)CCN2CCC(CC2)c3c(c(on3)-c4ccc(cc4)Cl)C,,QDMAKDIDFJTXEL-UHFFFAOYSA-N
BMGC_DG02879,BMG_DG079758,CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2,Cc1cncc(c1)CN2CCC(CC2)=C3c4c(CCc5c3nccc5)cc(Cl)cc4,"InChI=1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3",WUZYKBABMWJHDL-UHFFFAOYSA-N
BMGC_DG02880,BMG_DG079764,CC1(CC2=C(C(=C(N2C1)CC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C,n12c(c(-c3ccc(cc3)Cl)c(c1CC(C2)(C)C)-c4ccccc4)CC(=O)O,"InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)",UAWXGRJVZSAUSZ-UHFFFAOYSA-N
BMGC_DG02881,BMG_DG079804,CCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)OC8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]1C2=CC(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N[C@H](CC2=CC(=C(O3)C=C2)Cl)C(=O)N1)N)O)O)O)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)Cl)CO)O)O,,"InChI=1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88?/m1/s1",BJNLLBUOHPVGFT-CAYRISATSA-N
BMGC_DG02882,BMG_DG079814,,O1CCc2ccccc2[C@@H]1CCN3CCN(CC3)c4ccc(cc4)S(=O)(=O)N,,WNUQCGWXPNGORO-NRFANRHFSA-N
BMGC_DG02883,BMG_DG079816,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)C=C[C@]34C,[C@]12(C(=CC(=O)C=C1)CC[C@]3([C@@]4(CC[C@@H]([C@]4(CC[C@]23[H])C)O)[H])[H])C,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1",RSIHSRDYCUFFLA-DYKIIFRCSA-N
BMGC_DG02884,BMG_DG079949,CC(C)(C#CC1=NC(=C(C=C1)C2=C3C(=C(C=C2)Cl)C(=NN3CC(F)(F)F)NS(=O)(=O)C)[C@H](CC4=CC(=CC(=C4)F)F)NC(=O)CN5C6=C([C@H]7C[C@H]7C6(F)F)C(=N5)C(F)(F)F)S(=O)(=O)C,C(Cn1nc(c2c1C([C@]3([C@@]2(C3)[H])[H])(F)F)C(F)(F)F)(=O)N[C@@H](Cc4cc(cc(c4)F)F)c5c(ccc(n5)C#CC(C)(S(=O)(=O)C)C)-c6ccc(c7c(nn(c67)CC(F)(F)F)NS(=O)(=O)C)Cl,"InChI=1S/C39H32ClF10N7O5S2/c1-36(2,63(3,59)60)10-9-21-5-6-22(23-7-8-26(40)30-32(23)57(17-37(43,44)45)54-35(30)55-64(4,61)62)31(51-21)27(13-18-11-19(41)14-20(42)12-18)52-28(58)16-56-34-29(33(53-56)39(48,49)50)24-15-25(24)38(34,46)47/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,27-/m0/s1",BRYXUCLEHAUSDY-WEWMWRJBSA-N
BMGC_DG02885,BMG_DG080050,,,,
BMGC_DG02886,BMG_DG080060,,,,
BMGC_DG02887,BMG_DG080095,C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#C)O,[C@@]12([C@@]([C@@](C#C)(O)CC1)(C=CC=3[C@]2(CCC=4C3CCC(C4)=O)[H])C)[H],"InChI=1S/C20H22O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,8,10,12,17-18,22H,4-7,9,11H2,2H3/t17-,18+,19+,20+/m1/s1",GVDMJXQHPUYPHP-FYQPLNBISA-N
BMGC_DG02888,BMG_DG080098,CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl,C1(=NC(C(=O)N(c2c1cc(cc2)Cl)C)O)c3c(Cl)cccc3,"InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3",FJIKWRGCXUCUIG-UHFFFAOYSA-N
BMGC_DG02889,BMG_DG080099,,c1(c(ccc(c1)CCC(=O)CCCCc2ccccc2)O)OC,,TXELARZTKDBEKS-UHFFFAOYSA-N
BMGC_DG02890,BMG_DG080115,,,,
BMGC_DG02891,BMG_DG080146,CCC(=O)C(CC(C)N1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3,C(c1ccccc1)(c2ccccc2)(CC(N3CCCCC3)C)C(CC)=O,"InChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3",SVDHSZFEQYXRDC-UHFFFAOYSA-N
BMGC_DG02892,BMG_DG080178,CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O,[C@@]1(c2c(c3ccccc3[nH]2)CCN4C[C@](C1)(C[C@@](C4)(O)CC)[H])(c5cc6[C@@]78[C@@]([C@](C(=O)OC)(O)[C@@H]([C@]9([C@@]7(N(CC=C9)CC8)[H])CC)OC(=O)C)([H])N(c6cc5OC)C)C(=O)OC,"InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1",JXLYSJRDGCGARV-CFWMRBGOSA-N
BMGC_DG02893,BMG_DG080187,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+].[K+],[O-]C(CC(CC(=O)[O-])(O)C(=O)[O-])=O.[K+].[K+].[K+],"InChI=1S/C6H8O7.3K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3",QEEAPRPFLLJWCF-UHFFFAOYSA-K
BMGC_DG02894,BMG_DG080212,C(C(C(=O)O)F)N,OC(=O)C(F)CN,"InChI=1S/C3H6FNO2/c4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7)",OJQNRNQELNLWHH-UHFFFAOYSA-N
BMGC_DG02895,BMG_DG080269,C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)OC[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O)O,,"InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12+/m0/s1",DLRVVLDZNNYCBX-MYBWVJKRSA-N
BMGC_DG02896,BMG_DG080270,CC1=CC2=C(C=C1C)N(C=N2)[C@H]3[C@H]([C@H]([C@@H](O3)CO)OP(=O)([O-])O[C@@H](C)CNC(=O)CC[C@]4([C@@H]([C@H]5[C@@]6([C@]([C@H](/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@@H](C8(C)C)CCC(=O)N)/[C@@H]([C@@]7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co+2],,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+2;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m0../s1",DQOCFCZRZOAIBN-YHKGLSPZSA-L
BMGC_DG02897,BMG_DG080289,C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CC3=CNC4=CC=CC=C43,N1(CCC(CC1)(O)c2ccc(cc2)Cl)Cc3c[nH]c4ccccc34,"InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2",LLBLNMUONVVVPG-UHFFFAOYSA-N
BMGC_DG02898,BMG_DG080327,,O[C@H]1CCC(=O)c2c(cccc21)O,,ZXYYTDCENDYKBR-ZETCQYMHSA-N
BMGC_DG02899,BMG_DG080329,,,,
BMGC_DG02900,BMG_DG080342,,N[C@@H]1C(=O)NC(=O)C1,,YDNMHDRXNOHCJH-REOHCLBHSA-N
BMGC_DG02901,BMG_DG080344,,,,
BMGC_DG02902,BMG_DG080352,,C(CCC)NC=O,,QQGNLKJAIVSNCO-UHFFFAOYSA-N
BMGC_DG02903,BMG_DG080375,CN1CCCC1=O,N1(C(=O)CCC1)C,"InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3",SECXISVLQFMRJM-UHFFFAOYSA-N
BMGC_DG02904,BMG_DG080404,C[C@]12CCCCC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)F)C,[C@]12([C@]([C@@]3(CC=C4[C@]([C@]3(CC1)[H])(C)CCCC4)[H])(C[C@H](C2=O)F)[H])C,"InChI=1S/C19H27FO/c1-18-9-4-3-5-12(18)6-7-13-14(18)8-10-19(2)15(13)11-16(20)17(19)21/h6,13-16H,3-5,7-11H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1",VHZXNQKVFDBFIK-NBBHSKLNSA-N
BMGC_DG02905,BMG_DG080406,,c1(ccc(Cl)cc1)CO,,PTHGDVCPCZKZKR-UHFFFAOYSA-N
BMGC_DG02906,BMG_DG080413,,c1(c(cccn1)O)C(O)=O,,BRARRAHGNDUELT-UHFFFAOYSA-N
BMGC_DG02907,BMG_DG080417,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O,c1(sc(-c2cc(C#N)c(cc2)OCC(C)C)nc1C)C(=O)O,"InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)",BQSJTQLCZDPROO-UHFFFAOYSA-N
BMGC_DG02908,BMG_DG080418,C1=CC(=C2C(=C1NCCN)C(=O)C3=C(C2=O)C=NC=C3)NCCN,c12c(C(=O)c3ccncc3C1=O)c(NCCN)ccc2NCCN,"InChI=1S/C17H19N5O2/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24/h1-3,6,9,21-22H,4-5,7-8,18-19H2",PEZPMAYDXJQYRV-UHFFFAOYSA-N
BMGC_DG02909,BMG_DG080429,C[C@H](CCC1=CC=CC=C1)NC[C@@H](C2=CC(=C(C=C2)O)C(=O)N)O,C([C@H](NC[C@@H](c1cc(c(O)cc1)C(N)=O)O)C)Cc2ccccc2,"InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)/t13-,18+/m1/s1",SGUAFYQXFOLMHL-ACJLOTCBSA-N
BMGC_DG02910,BMG_DG080437,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C[C@@H](C3=C)O)O)C,,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/t18-,22-,23-,24+,25+,27-/m1/s1",GMRQFYUYWCNGIN-ZVUFCXRFSA-N
BMGC_DG02911,BMG_DG080474,,OCc1ccc(cc1)[C@H](C(=O)Nc2cc3c(cc2)cncc3)CN,,LTXBFJFJUIJOQE-GOSISDBHSA-N
BMGC_DG02912,BMG_DG080499,,n1c2c(cc(cc2)C)ccc1C,,JJPSZKIOGBRMHK-UHFFFAOYSA-N
BMGC_DG02913,BMG_DG080633,[11CH3]OC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4(CC(C2)(CC(C3)(C4)F)F)F,C(c1c(ccc(c1)O[11CH3])Cl)(=O)NCC23CC4(CC(CC(C2)(C4)F)(C3)F)F,"InChI=1S/C19H21ClF3NO2/c1-26-12-2-3-14(20)13(4-12)15(25)24-11-16-5-17(21)8-18(22,6-16)10-19(23,7-16)9-17/h2-4H,5-11H2,1H3,(H,24,25)/i1-1",DWSQAAMUNCFYTG-BJUDXGSMSA-N
BMGC_DG02914,BMG_DG080657,CC1(CC1)N2C(=C(C3=C(N=CN=C32)N)C(=O)NC4=CC=C(C=C4)COC)C#CCN5CCOCC5,C(#CCN1CCOCC1)c2n(c3c(c2C(Nc4ccc(cc4)COC)=O)c(N)ncn3)C5(C)CC5,"InChI=1S/C26H30N6O3/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)",SFXVRNLGOSAWIV-UHFFFAOYSA-N
BMGC_DG02915,BMG_DG080661,,Clc1c(-c2nc(c(N3CCC4([C@H](N)[C@@H](OC4)C)CC3)nc2C)CO)cccc1Cl,,IKUYEYLZXGGCRD-ORAYPTAESA-N
BMGC_DG02916,BMG_DG080664,,c1(c2c(ccc1)cccc2)N3CCNCC3,,VNICFCQJUVFULD-UHFFFAOYSA-N
BMGC_DG02917,BMG_DG080681,C[C@]1(CCC[C@H]1N2C3=NC(=NC=C3C=C(C2=O)C(F)F)NC4CCN(CC4)S(=O)(=O)C)O,c1(nc2c(cn1)cc(c(n2[C@H]3[C@](CCC3)(C)O)=O)C(F)F)NC4CCN(CC4)S(=O)(=O)C,"InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1",QIEKHLDZKRQLLN-FOIQADDNSA-N
BMGC_DG02918,BMG_DG080691,CCOC1=C(N=CC=C1)OC2=CN=CC(=C2)C3=NC=C(C=N3)C(=O)N[C@H]4CCOC4,c1(ncc(cn1)C(=O)N[C@@H]2COCC2)-c3cncc(c3)Oc4c(cccn4)OCC,"InChI=1S/C21H21N5O4/c1-2-29-18-4-3-6-23-21(18)30-17-8-14(9-22-12-17)19-24-10-15(11-25-19)20(27)26-16-5-7-28-13-16/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,26,27)/t16-/m0/s1",UKBQFBRPXKGJPY-INIZCTEOSA-N
BMGC_DG02919,BMG_DG080702,COC1=CC=C(C=C1)C2=C(N=C3C(=C(NN3C2=O)C4=CC=CC=C4)C5=CCCCC5)NC6=CC=CC=N6,c12[nH]c(c(c(n1nc(c2C3=CCCCC3)-c4ccccc4)=O)-c5ccc(cc5)OC)Nc6ccccn6,"InChI=1S/C30H27N5O2/c1-37-23-17-15-21(16-18-23)26-28(32-24-14-8-9-19-31-24)33-29-25(20-10-4-2-5-11-20)27(34-35(29)30(26)36)22-12-6-3-7-13-22/h3,6-10,12-19,34H,2,4-5,11H2,1H3,(H,31,32)",HSVRUECLQUGTDS-UHFFFAOYSA-N;LSOYYWKBUKXUHQ-UHFFFAOYSA-N
BMGC_DG02920,BMG_DG080714,CC1=CC(=C2C=NN(C2=N1)C)N3CCC4=C(C3)C(=NN4CC56CCC(CC5)(CC6)NC(=O)[C@@H]7COCCN7)C,c1(c2c(n(nc2)C)nc(C)c1)N3Cc4c(CC3)n(CC56CCC(CC5)(CC6)NC([C@@H]7COCCN7)=O)nc4C,"InChI=1S/C29H40N8O2/c1-19-14-25(21-15-31-35(3)26(21)32-19)36-12-4-24-22(16-36)20(2)34-37(24)18-28-5-8-29(9-6-28,10-7-28)33-27(38)23-17-39-13-11-30-23/h14-15,23,30H,4-13,16-18H2,1-3H3,(H,33,38)/t23-,28?,29?/m0/s1",OXDQXRVWDYGAHX-SAVAPUMLSA-N
BMGC_DG02921,BMG_DG080722,C1CCC(C1)C(=O)N[C@@H](CCCCN)C(=O)COC2=C(C=CC(=C2F)F)F,c1(c(c(ccc1F)F)OCC([C@@H](NC(C2CCCC2)=O)CCCCN)=O)F,"InChI=1S/C19H25F3N2O3/c20-13-8-9-14(21)18(17(13)22)27-11-16(25)15(7-3-4-10-23)24-19(26)12-5-1-2-6-12/h8-9,12,15H,1-7,10-11,23H2,(H,24,26)/t15-/m0/s1",OLIMBXKACVCIMM-HNNXBMFYSA-N
BMGC_DG02922,BMG_DG080723,,N=C(N)c1ccc(Cn2ccc3ccccc23)cc1,,VKEKMIKRPJWXHO-UHFFFAOYSA-N
BMGC_DG02923,BMG_DG080727,C1=CC=C(C=C1)SSC2=CC=CC=C2,c1(SSc2ccccc2)ccccc1,InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H,GUUVPOWQJOLRAS-UHFFFAOYSA-N
BMGC_DG02924,BMG_DG080738,CC(C)(C1=NOC(=C1)NC(=O)CC2=CN=C(C=C2)C3=CN=C4C=C(C(=CC4=C3)OC)OC)C(F)(F)F,C(F)(F)(F)C(c1cc(NC(=O)Cc2ccc(-c3cnc4cc(OC)c(OC)cc4c3)nc2)on1)(C)C,"InChI=1S/C25H23F3N4O4/c1-24(2,25(26,27)28)21-11-23(36-32-21)31-22(33)7-14-5-6-17(29-12-14)16-8-15-9-19(34-3)20(35-4)10-18(15)30-13-16/h5-6,8-13H,7H2,1-4H3,(H,31,33)",KOLQINCWMXQEOF-UHFFFAOYSA-N
BMGC_DG02925,BMG_DG080755,C1CC(CCC1NC(=O)C2=NN=C(C=C2)N3CCC(CC3)CN4CCN(CC4)C5=C(C=C6C(=C5)C(=O)N(C6=O)C7CCC(=O)NC7=O)F)OC8=CC(=C(C=C8)C#N)Cl,c1(ccc(nn1)N2CCC(CC2)CN3CCN(CC3)c4cc5C(N(C(c5cc4F)=O)C6C(NC(CC6)=O)=O)=O)C(=O)N[C@H]7CC[C@@H](CC7)Oc8cc(c(cc8)C#N)Cl,"InChI=1S/C41H43ClFN9O6/c42-31-19-28(4-1-25(31)22-44)58-27-5-2-26(3-6-27)45-38(54)33-7-9-36(48-47-33)51-13-11-24(12-14-51)23-49-15-17-50(18-16-49)35-21-30-29(20-32(35)43)40(56)52(41(30)57)34-8-10-37(53)46-39(34)55/h1,4,7,9,19-21,24,26-27,34H,2-3,5-6,8,10-18,23H2,(H,45,54)(H,46,53,55)",CLCTZVRHDOAUGJ-UHFFFAOYSA-N;CLCTZVRHDOAUGJ-SYVGMNBRSA-N
BMGC_DG02926,BMG_DG080757,CC(C)N(C)C1=CC=C(C=C1)[C@H]2C[C@]3([C@@H](CC[C@]3(C#CC(C)(C)C)O)[C@H]4[C@H]2[C@H]5CCC(=O)C=C5CC4)C,C1C(C=C2[C@](C1)([C@@]3([C@@](CC2)([C@]4([C@](C[C@@H]3c5ccc(cc5)N(C(C)C)C)([C@](CC4)(O)C#CC(C)(C)C)C)[H])[H])[H])[H])=O,"InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1",VNLTWJIWEYPBIF-KMSLUKAPSA-N
BMGC_DG02927,BMG_DG080762,,OC(=O)c1c(O)cc(cc1[N+]([O-])=O)[N+]([O-])=O,,AQBLBIVMAAUENI-UHFFFAOYSA-N
BMGC_DG02928,BMG_DG080766,CC(C)(COC1=CN2C(=C(C=N2)C#N)C(=C1)C3=CN=C(C=C3)N4CC5CC(C4)N5CC6=CN=C(C=C6)OC)O,c1n2c(c(cc1OCC(O)(C)C)-c3ccc(nc3)N4CC5N(C(C4)C5)Cc6cnc(cc6)OC)c(cn2)C#N,"InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3",XIIOFHFUYBLOLW-UHFFFAOYSA-N
BMGC_DG02929,BMG_DG080767,,c12c(cc(cn1ncc2C#N)OC[C@H]3CNCCO3)-c4cnc(cn4)N5CC6N(C(C5)C6)Cc7cnc(cc7)OC,,GTQISTQEBXXLPC-UBVWURDFSA-N
BMGC_DG02930,BMG_DG080772,,C1OCCN(c2cnc3ccc(Nc4ccc(OCc5cnc(cc5)C)c(OC)c4)c(C#N)c3n2)C1,,UGKFKFGVNJJPOL-UHFFFAOYSA-N
BMGC_DG02931,BMG_DG080780,CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)[C@@H]4CCCC(=O)N4C5=CC(=C(C=C5)F)F)C6CCC(CC6)OC,Fc1ccc(N2[C@H](c3nc4cc(-c5c(C)onc5C)ccc4n3[C@H]6CC[C@H](OC)CC6)CCCC2=O)cc1F,"InChI=1S/C30H32F2N4O3/c1-17-29(18(2)39-34-17)19-7-14-26-25(15-19)33-30(36(26)20-8-11-22(38-3)12-9-20)27-5-4-6-28(37)35(27)21-10-13-23(31)24(32)16-21/h7,10,13-16,20,22,27H,4-6,8-9,11-12H2,1-3H3/t20?,22?,27-/m0/s1",SKDNDJWEBPQKCS-RIQBOWGZSA-N;SKDNDJWEBPQKCS-CLHVYKLBSA-N
BMGC_DG02932,BMG_DG080781,CCCC(C(CC)O)C(=O)O,C(=O)(C(C(CC)O)CCC)O,"InChI=1S/C8H16O3/c1-3-5-6(8(10)11)7(9)4-2/h6-7,9H,3-5H2,1-2H3,(H,10,11)",LLPFTSMZBSRZDV-UHFFFAOYSA-N
BMGC_DG02933,BMG_DG080787,CCN1C(=NN(C1=O)C2=C(C=C(C(=C2)O[C@@H](C)C(F)(F)F)C(=O)NC3=C(C=CC=C3Cl)F)F)CO,c1(cc(c(cc1O[C@@H](C)C(F)(F)F)-n2c(n(c(n2)CO)CC)=O)F)C(Nc3c(cccc3Cl)F)=O,"InChI=1S/C21H18ClF5N4O4/c1-3-30-17(9-32)29-31(20(30)34)15-8-16(35-10(2)21(25,26)27)11(7-14(15)24)19(33)28-18-12(22)5-4-6-13(18)23/h4-8,10,32H,3,9H2,1-2H3,(H,28,33)/t10-/m0/s1",KNVJMHHAXCPZHF-JTQLQIEISA-N
BMGC_DG02934,BMG_DG080793,C1[C@@H](CN([C@H]1C2=C(C=CC(=C2)F)F)C3=NC4=C(C(=NN4C=C3)N)C(=O)N)F,Fc1c([C@@H]2N(C[C@@H](F)C2)c3nc4n(cc3)nc(N)c4C(N)=O)cc(F)cc1,"InChI=1S/C17H15F3N6O/c18-8-1-2-11(20)10(5-8)12-6-9(19)7-25(12)13-3-4-26-17(23-13)14(16(22)27)15(21)24-26/h1-5,9,12H,6-7H2,(H2,21,24)(H2,22,27)/t9-,12+/m0/s1",YFTARXQOKASKBW-JOYOIKCWSA-N
BMGC_DG02935,BMG_DG080796,C(CN)[C@@H](C(=O)O)N,C([C@H](CCN)N)(=O)O,"InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1",OGNSCSPNOLGXSM-VKHMYHEASA-N
BMGC_DG02936,BMG_DG080797,C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O,C[C@]12CC[C@@H](O)C[C@@]1([H])CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@@]32[H],"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18+,19+/m1/s1",CBMYJHIOYJEBSB-GCXXXECGSA-N
BMGC_DG02937,BMG_DG080802,,C([C@H](Cc1ccc(cc1)I)N)(=O)O,,PZNQZSRPDOEBMS-QMMMGPOBSA-N
BMGC_DG02938,BMG_DG080803,CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl,c1(nc(cc2c1cccc2)C(=O)N(C)C(CC)C)-c3c(cccc3)Cl,"InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3",RAVIZVQZGXBOQO-UHFFFAOYSA-N
BMGC_DG02939,BMG_DG080804,CCNC1=NC(=NC(=N1)SC)NC(C)(C)C,c1(nc(nc(n1)SC)NCC)NC(C)(C)C,"InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)",IROINLKCQGIITA-UHFFFAOYSA-N
BMGC_DG02940,BMG_DG080807,C1CSC(=O)[C@H]1N,,"InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m0/s1",KIWQWJKWBHZMDT-VKHMYHEASA-N
BMGC_DG02941,BMG_DG080811,,O=C(Nc1ccccc1)NC2CCCCC2,,WPLYTRWMCWBZEN-UHFFFAOYSA-N
BMGC_DG02942,BMG_DG080812,C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)C2=C(C=C(C(=C2)SC3=CN=C(S3)NC(=O)C4CC4)C)OC,C(=O)(c1c(OC)cc(c(c1)Sc2sc(nc2)NC(=O)C3CC3)C)N4C[C@@H](C)N(CCC4)C(C=C)=O,"InChI=1S/C25H30N4O4S2/c1-5-21(30)29-10-6-9-28(14-16(29)3)24(32)18-12-20(15(2)11-19(18)33-4)34-22-13-26-25(35-22)27-23(31)17-7-8-17/h5,11-13,16-17H,1,6-10,14H2,2-4H3,(H,26,27,31)/t16-/m1/s1",KNCWSXRTKLTULH-MRXNPFEDSA-N
BMGC_DG02943,BMG_DG080815,,CS(=O)(=O)[C@H]1c2c(cccc2)OC[C@@H]1NC(=O)[C@@H](C)c3ccc(F)cc3,,DKLUNKKXISSMIY-IWEFOYFVSA-N
BMGC_DG02944,BMG_DG080819,,c1(-c2ccc(Cl)cc2)c(nc(N)nc1N)C,,SNBBQZGVKQEBQT-UHFFFAOYSA-N
BMGC_DG02945,BMG_DG080830,CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)NC)S(=O)(=O)CC,c1(S(=O)(=O)CC)cc(C(NCC2N(CCC2)CC)=O)c(cc1NC)OC,"InChI=1S/C18H29N3O4S/c1-5-21-9-7-8-13(21)12-20-18(22)14-10-17(26(23,24)6-2)15(19-3)11-16(14)25-4/h10-11,13,19H,5-9,12H2,1-4H3,(H,20,22)",NXKXZXNNWRYXRE-UHFFFAOYSA-N
BMGC_DG02946,BMG_DG080836,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O,O[C@@]12N([C@@H](CC(C)C)C(=O)N3[C@]1(CCC3)[H])C(=O)[C@@](NC(=O)[C@@H]4C=C5c6c7c(C[C@]5(N(C)C4)[H])c[nH]c7ccc6)(C(C)C)O2,"InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1",YDOTUXAWKBPQJW-NSLWYYNWSA-N
BMGC_DG02947,BMG_DG080842,C1CC1C2=CC(=C3C(=C2)C=CN(C3=O)C4=CC=CC(=C4CO)C5=C6C=C(NC6=NC(=N5)N)C7=CCN(CC7)C8COC8)F,Nc1nc(c2cc([nH]c2n1)C3=CCN(CC3)C4COC4)-c5c(CO)c(ccc5)-n6ccc7c(c6=O)c(F)cc(c7)C8CC8,"InChI=1S/C33H31FN6O3/c34-26-13-21(18-4-5-18)12-20-8-11-40(32(42)29(20)26)28-3-1-2-23(25(28)15-41)30-24-14-27(36-31(24)38-33(35)37-30)19-6-9-39(10-7-19)22-16-43-17-22/h1-3,6,8,11-14,18,22,41H,4-5,7,9-10,15-17H2,(H3,35,36,37,38)",LJODJUIHONTDMR-UHFFFAOYSA-N
BMGC_DG02948,BMG_DG080844,,c1cc(ccc1N)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N,,BDLSLORLEPSOGW-UHFFFAOYSA-N
BMGC_DG02949,BMG_DG080867,,C(OC(C(O)=O)(C)C)c1nn(c(c1)-c2cc(OC3CCC3)ccc2)-c4c(cccc4)N5CCC5,,OQTDJRJCTNUVFI-UHFFFAOYSA-N
BMGC_DG02950,BMG_DG080868,C[C@H]1CC(N(C1)C2=C(C=CC(=N2)N3C=CC(=N3)OCC(C)(C)C(F)(F)F)C(=O)NS(=O)(=O)C4=CN(N=C4C)C)(C)C,c1(c(ccc(n1)-n2nc(cc2)OCC(C(F)(F)F)(C)C)C(=O)NS(=O)(=O)c3c(nn(c3)C)C)N4C(C[C@@H](C4)C)(C)C,"InChI=1S/C26H34F3N7O4S/c1-16-12-25(5,6)35(13-16)22-18(23(37)33-41(38,39)19-14-34(7)31-17(19)2)8-9-20(30-22)36-11-10-21(32-36)40-15-24(3,4)26(27,28)29/h8-11,14,16H,12-13,15H2,1-7H3,(H,33,37)/t16-/m0/s1",MVRHVFSOIWFBTE-INIZCTEOSA-N
BMGC_DG02951,BMG_DG080869,CC1=NC=C(C=C1)C2=NOC(=C2COC3=NN=C(C=C3)C(=O)NC4CCOCC4)C,c1(ccc(nn1)OCc2c(noc2C)-c3cnc(cc3)C)C(=O)NC4CCOCC4,"InChI=1S/C21H23N5O4/c1-13-3-4-15(11-22-13)20-17(14(2)30-26-20)12-29-19-6-5-18(24-25-19)21(27)23-16-7-9-28-10-8-16/h3-6,11,16H,7-10,12H2,1-2H3,(H,23,27)",ACZCJTHHWMBFKC-UHFFFAOYSA-N
BMGC_DG02952,BMG_DG080873,COC1=CC=CC=C1N2CCNCC2,C1CNCCN1c2ccccc2OC,"InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3",VNZLQLYBRIOLFZ-UHFFFAOYSA-N
BMGC_DG02953,BMG_DG080875,COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N,C(N[C@H](C(=O)OC)Cc1ccccc1)([C@H](CC(=O)O)N)=O,"InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1",IAOZJIPTCAWIRG-QWRGUYRKSA-N
BMGC_DG02954,BMG_DG080880,C1CO[C@@H]1CN2C3=C(C=CC(=C3)C(=O)O)N=C2CN4CCC(CC4)C5=NC(=CC=C5)OCC6=C(C=C(C=C6)C#N)F,c1(nc2c(n1C[C@H]3OCC3)cc(cc2)C(=O)O)CN4CCC(CC4)c5cccc(n5)OCc6c(cc(cc6)C#N)F,"InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1",HYBAKUMPISVZQP-DEOSSOPVSA-N
BMGC_DG02955,BMG_DG080881,CC(C)(CNC(=O)CC1=NC2=CN=C3C(=C2N1C4CCC(CC4)CC#N)C=CN3)O,C(C(NCC(C)(C)O)=O)c1n(c2c(n1)c[nH]c3-c2ccn3)[C@H]4CC[C@@H](CC4)CC#N,"InChI=1S/C22H28N6O2/c1-22(2,30)13-26-19(29)11-18-27-17-12-25-21-16(8-10-24-21)20(17)28(18)15-5-3-14(4-6-15)7-9-23/h8,10,12,14-15,30H,3-7,11,13H2,1-2H3,(H,24,25)(H,26,29)",NJKMSBSVJSQUBU-UHFFFAOYSA-N;NJKMSBSVJSQUBU-SHTZXODSSA-N
BMGC_DG02956,BMG_DG080898,C1=CC=C2C(=C1)C=CC=NN2,N1N=CC=Cc2c1cccc2,"InChI=1S/C9H8N2/c1-2-6-9-8(4-1)5-3-7-10-11-9/h1-7,11H",SVUOLADPCWQTTE-UHFFFAOYSA-N
BMGC_DG02957,BMG_DG080918,,C(c1c(ccc(c1)OC)Cl)(=O)NCC23CC4(CC(CC(C2)(C4)F)(C3)F)F,,DWSQAAMUNCFYTG-UHFFFAOYSA-N
BMGC_DG02958,BMG_DG081033,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H](C(CO)O)O)(C(=O)O)O)O,,"InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6?,7+,8+,9+,11+/m0/s1",SQVRNKJHWKZAKO-ZCTZIRFPSA-N
BMGC_DG02959,BMG_DG081043,B1(C2=C(C=CC(=C2[C@H](O1)CN)Cl)OCCO)O.Cl,Cl.O(CCO)c1c2c([C@H](OB2O)CN)c(cc1)Cl,"InChI=1S/C10H13BClNO4.ClH/c12-6-1-2-7(16-4-3-14)10-9(6)8(5-13)17-11(10)15;/h1-2,8,14-15H,3-5,13H2;1H/t8-;/m1./s1",FUOKBESTQMGROA-DDWIOCJRSA-N
BMGC_DG02960,BMG_DG081107,C1=CC=C(C=C1)[C@H](C#N)OC2C([C@H]([C@@H](C(O2)COC3[C@@H](C([C@@H]([C@H](O3)CO)O)O)O)O)O)O,,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12?,13+,14+,15?,16-,17+,18?,19?,20?/m0/s1",XUCIJNAGGSZNQT-MUXXRXLQSA-N
BMGC_DG02961,BMG_DG081119,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CNC=N6)N)C(=O)O,OC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc21)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(CC[C@@H](C(O)=O)NC(CCCCCCCCCCCCCCC)=O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc6nc[nH]c6)CCC(=O)N)CCC(=O)O)CCC(=O)O)CCC(=O)O,"InChI=1S/C167H252N42O55/c1-13-14-15-16-17-18-19-20-21-22-23-24-31-47-125(219)186-109(165(263)264)53-58-124(218)175-62-35-34-44-102(189-153(251)116(72-131(228)229)201-161(259)122(83-213)206-164(262)137(92(12)215)209-157(255)114(68-94-40-29-26-30-41-94)202-163(261)136(91(11)214)207-127(221)78-181-142(240)105(52-57-123(169)217)190-158(256)119(80-210)203-141(239)100(168)71-97-76-174-84-182-97)146(244)204-120(81-211)159(257)193-108(56-61-130(226)227)148(246)197-112(69-95-48-50-98(216)51-49-95)151(249)195-111(66-86(4)5)150(248)200-118(74-133(232)233)155(253)205-121(82-212)160(258)192-107(55-60-129(224)225)147(245)188-103(45-36-63-176-166(170)171)143(241)184-89(9)139(237)187-104(46-37-64-177-167(172)173)145(243)199-117(73-132(230)231)154(252)198-113(67-93-38-27-25-28-39-93)156(254)208-135(87(6)7)162(260)185-90(10)140(238)194-115(70-96-75-178-101-43-33-32-42-99(96)101)152(250)196-110(65-85(2)3)149(247)191-106(54-59-128(222)223)144(242)183-88(8)138(236)180-77-126(220)179-79-134(234)235/h25-30,32-33,38-43,48-51,75-76,84-92,100,102-122,135-137,178,210-216H,13-24,31,34-37,44-47,52-74,77-83,168H2,1-12H3,(H2,169,217)(H,174,182)(H,175,218)(H,179,220)(H,180,236)(H,181,240)(H,183,242)(H,184,241)(H,185,260)(H,186,219)(H,187,237)(H,188,245)(H,189,251)(H,190,256)(H,191,247)(H,192,258)(H,193,257)(H,194,238)(H,195,249)(H,196,250)(H,197,246)(H,198,252)(H,199,243)(H,200,248)(H,201,259)(H,202,261)(H,203,239)(H,204,244)(H,205,253)(H,206,262)(H,207,221)(H,208,254)(H,209,255)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,263,264)(H4,170,171,176)(H4,172,173,177)/t88-,89-,90-,91+,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,135-,136-,137-/m0/s1",YEKUUBPJRPXMBM-PTCFZACGSA-N
BMGC_DG02962,BMG_DG081138,,c12c(ncc(c1N[C@@H](C)C3CCOCC3)C(=O)N)ccc(c2)-c4cnc(cc4)COC,,DISRGUXSEDBDDN-HNNXBMFYSA-N
BMGC_DG02963,BMG_DG081159,C[C@H](CCCC(C)(C)O)C1CC[C@@H]2[C@@]1(CCCC2=C/C=C\3/C[C@H](CC(C3=C)O)O)C,,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10?,21-11-/t18-,22-,23?,24+,25?,27-/m1/s1",GMRQFYUYWCNGIN-QAYIYZKGSA-N
BMGC_DG02964,BMG_DG081162,CC(CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3CC(CCC3=C)O)C,,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/t20?,23?,24-,25+,27-/m1/s1",JWUBBDSIWDLEOM-OVZIHYIRSA-N
BMGC_DG02965,BMG_DG081166,C([C@@H]1C(C([C@H]([C@H](O1)OC2[C@H](O[C@@H]([C@@H](C2O)O)O)CO)O)O)O)O,,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5?,6?,7?,8-,9-,10?,11+,12-/m1/s1",GUBGYTABKSRVRQ-QBPYHDDPSA-N
BMGC_DG02966,BMG_DG081221,CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Mg+2],CC([O-])=O.[Mg+2].O.CC([O-])=O.O.O.O,"InChI=1S/2C2H4O2.Mg.4H2O/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);;4*1H2/q;;+2;;;;/p-2",XKPKPGCRSHFTKM-UHFFFAOYSA-L
BMGC_DG02967,BMG_DG081224,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C,[C@@]12([C@@]([C@@]3(C(=CC(=O)C=C3)CC1)C)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H],"InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1",LUJVUUWNAPIQQI-QAGGRKNESA-N
BMGC_DG02968,BMG_DG081271,CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N,C1(C(N)CC(C)C)(c2ccc(cc2)Cl)CCC1,"InChI=1S/C15H22ClN/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12/h4-7,11,14H,3,8-10,17H2,1-2H3",WQSACWZKKZPCHN-UHFFFAOYSA-N
BMGC_DG02969,BMG_DG081277,C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N,N1(C(c2c(N)cccc2C1=O)=O)C3C(NC(CC3)=O)=O,"InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)",UVSMNLNDYGZFPF-UHFFFAOYSA-N
BMGC_DG02970,BMG_DG081290,,c1ccc2c(c1)c(Nc3cccc(c3)Cl)nnc2-c4ccccc4,,CEHQLKSLMFIHBF-UHFFFAOYSA-N
BMGC_DG02971,BMG_DG081325,COC1=NC=C(C=N1)C2=CC(=CC=C2)N3CCN(CC3)C4=CN=C(N=C4N)N,c1(nc(c(cn1)N2CCN(CC2)c3cc(ccc3)-c4cnc(nc4)OC)N)N,"InChI=1S/C19H22N8O/c1-28-19-23-10-14(11-24-19)13-3-2-4-15(9-13)26-5-7-27(8-6-26)16-12-22-18(21)25-17(16)20/h2-4,9-12H,5-8H2,1H3,(H4,20,21,22,25)",GUZBZPCNAJDYMO-UHFFFAOYSA-N
BMGC_DG02972,BMG_DG081326,CN(CC1=C(C=C(C=C1)C(=O)NO)F)CC23CC4CC(C2)CC(C4)C3,,"InChI=1S/C20H27FN2O2/c1-23(11-17-3-2-16(7-18(17)21)19(24)22-25)12-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15,25H,4-6,8-12H2,1H3,(H,22,24)",IGZQZELTOHAHNW-UHFFFAOYSA-N
BMGC_DG02973,BMG_DG081330,,c1cc(ccc1NC(Cn2cc(nn2)C(C)C)=O)Nc3ncnc4cc(cc(F)c34)OCCOC,,FLJOFQUXYAWOPE-UHFFFAOYSA-N
BMGC_DG02974,BMG_DG081455,[2H]C([2H])([2H])NC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC(=O)C4CC4,O(c1c(Nc2cc(NC(C3CC3)=O)nnc2C(=O)NC([2H])([2H])[2H])cccc1-c4nn(C)cn4)C,"InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)/i1D3",BZZKEPGENYLQSC-FIBGUPNXSA-N
BMGC_DG02975,BMG_DG081456,C[C@H](C(=O)NC1=NC2=C(S1)CCCC2=O)N,,"InChI=1S/C10H13N3O2S/c1-5(11)9(15)13-10-12-8-6(14)3-2-4-7(8)16-10/h5H,2-4,11H2,1H3,(H,12,13,15)/t5-/m1/s1",IOUBCOWUBQDGKF-RXMQYKEDSA-N
BMGC_DG02976,BMG_DG081487,COC(=O)[C@@H]([C@H]1CCCCN1C(=O)OC[N+]2=CC=CC(=C2)C(=O)N[C@@H](CO)C(=O)[O-])C3=CC=CC=C3,c1cccc(c1)[C@H]([C@@]2(N(CCCC2)C(OC[n+]3cccc(c3)C(N[C@H](C(=O)[O-])CO)=O)=O)[H])C(OC)=O,"InChI=1S/C25H29N3O8/c1-35-24(33)21(17-8-3-2-4-9-17)20-11-5-6-13-28(20)25(34)36-16-27-12-7-10-18(14-27)22(30)26-19(15-29)23(31)32/h2-4,7-10,12,14,19-21,29H,5-6,11,13,15-16H2,1H3,(H-,26,30,31,32)/t19-,20+,21+/m0/s1",UBZPNQRBUOBBLN-PWRODBHTSA-N
BMGC_DG02977,BMG_DG081560,,c1(nc2c([nH]1)ccc(c2)N)-c3ncsc3,,CUDHOGCHOXYXRZ-UHFFFAOYSA-N
BMGC_DG02978,BMG_DG081569,CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)OCC,c12n(c(Cc3ccc(OCC)cc3)nc1cc([N+](=O)[O-])cc2)CCN(CC)CC,"InChI=1S/C22H28N4O3/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3",PXDBZSCGSQSKST-UHFFFAOYSA-N
BMGC_DG02979,BMG_DG081599,CN1C=CNC1=S,c1(n(cc[nH]1)C)=S,"InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)",PMRYVIKBURPHAH-UHFFFAOYSA-N
BMGC_DG02980,BMG_DG081603,C1=CC(=CC=C1C(=O)O)O,Oc1ccc(cc1)C(=O)O,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",FJKROLUGYXJWQN-UHFFFAOYSA-N
BMGC_DG02981,BMG_DG081634,CCOC(=O)C1(CCN(CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,C1(C(=O)OCC)(CCN(CC1)CCC(C#N)(c2ccccc2)c3ccccc3)c4ccccc4,"InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3",HYPPXZBJBPSRLK-UHFFFAOYSA-N
BMGC_DG02982,BMG_DG081645,,C(c1cc(c(cc1)Cl)S(=O)(=O)N)(=O)NN(c2ccccc2)C,,QWNNFYQUBPILCG-UHFFFAOYSA-N
BMGC_DG02983,BMG_DG081663,,NC(c1cn([C@@H]2[C@@H](C#N)CCOC2)nc1Nc3cc(OC)nc(F)c3)=O,,PRQMBGDYXWVEHE-SKDRFNHKSA-N
BMGC_DG02984,BMG_DG081674,,c1(c(N)c(c1=O)=O)NCCCOc2cc(CN3CCCCC3)ccc2,,KSBYXRUNSLGUNE-UHFFFAOYSA-N
BMGC_DG02985,BMG_DG081679,,n1c(c2n(cc1)c(nc2-c3ccc(cc3)C(Nc4ccccn4)=O)C(CCCNC(C#CC)=O)=O)N,,XZAATUBTUPPERZ-UHFFFAOYSA-N
BMGC_DG02986,BMG_DG081690,CC1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3,,"InChI=1S/C14H17N3O2S/c1-11-10-17(8-7-16-11)20(18,19)14-4-2-3-12-9-15-6-5-13(12)14/h2-6,9,11,16H,7-8,10H2,1H3",QGSCXAWTTISKLF-UHFFFAOYSA-N
BMGC_DG02987,BMG_DG081691,[Li+].[Li+].[Li+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,[O-]C(=O)CC(C(=O)[O-])(CC(=O)[O-])O.[Li+].[Li+].[Li+],"InChI=1S/C6H8O7.3Li/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3",WJSIUCDMWSDDCE-UHFFFAOYSA-K
BMGC_DG02988,BMG_DG081698,CC[C@@H](C(=O)NC1=CC(=C(C=C1)C(=O)N)F)N2C=C(C(=CC2=O)C3=C(C=CC(=C3)Cl)N4C=C(N=N4)C(F)(F)F)OC,c1c(OC)c(cc(=O)n1[C@@H](CC)C(Nc2ccc(C(=O)N)c(F)c2)=O)-c3cc(Cl)ccc3-n4nnc(c4)C(F)(F)F,"InChI=1S/C26H21ClF4N6O4/c1-3-19(25(40)33-14-5-6-15(24(32)39)18(28)9-14)36-11-21(41-2)17(10-23(36)38)16-8-13(27)4-7-20(16)37-12-22(34-35-37)26(29,30)31/h4-12,19H,3H2,1-2H3,(H2,32,39)(H,33,40)/t19-/m0/s1",XYWIPYBIIRTJMM-IBGZPJMESA-N
BMGC_DG02989,BMG_DG081709,CN1CCN(CC1)[C@H](COC)C(=O)NC2=CC=CC3=C2NC=C3C4=NC(=NC=C4F)NC5=C(C(=CC=C5)S(=O)(=O)C)F,N(C([C@@H](COC)N1CCN(C)CC1)=O)c2c3c(c(c[nH]3)-c4nc(Nc5c(F)c(S(C)(=O)=O)ccc5)ncc4F)ccc2,"InChI=1S/C28H31F2N7O4S/c1-36-10-12-37(13-11-36)22(16-41-2)27(38)33-21-8-4-6-17-18(14-31-26(17)21)25-19(29)15-32-28(35-25)34-20-7-5-9-23(24(20)30)42(3,39)40/h4-9,14-15,22,31H,10-13,16H2,1-3H3,(H,33,38)(H,32,34,35)/t22-/m1/s1",JNUZADQZHYFJGW-JOCHJYFZSA-N
BMGC_DG02990,BMG_DG081710,,C1Cc2cc3CCCc3c(c2C1)NC(=O)NS(=O)(=O)c4cnn5CCCOc45,,KWSGPJCQWZMUQM-UHFFFAOYSA-N
BMGC_DG02991,BMG_DG081712,CC1=C(C=CC=C1C2=CC(=NC(=N2)N)C3=CN(N=N3)CC4=NC(=CC=C4)C(C)(C)O)C#N,n1c(cc(nc1N)-c2c(c(ccc2)C#N)C)-c3nnn(c3)Cc4nc(ccc4)C(C)(C)O,"InChI=1S/C23H22N8O/c1-14-15(11-24)6-4-8-17(14)18-10-19(28-22(25)27-18)20-13-31(30-29-20)12-16-7-5-9-21(26-16)23(2,3)32/h4-10,13,32H,12H2,1-3H3,(H2,25,27,28)",BUXIAWLTBSXYSW-UHFFFAOYSA-N
BMGC_DG02992,BMG_DG081719,CCSCCSP(=O)(OC)OC,P(SCCSCC)(OC)(OC)=O,"InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3",WEBQKRLKWNIYKK-UHFFFAOYSA-N
BMGC_DG02993,BMG_DG081720,CC[C@@H](C(C[C@H](C)NC)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C,C(C[C@@H](NC)C)(c1ccccc1)(c2ccccc2)[C@@H](OC(C)=O)CC,"InChI=1S/C22H29NO2/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21,23H,5,16H2,1-4H3/t17-,21-/m0/s1",VWCUGCYZZGRKEE-UWJYYQICSA-N
BMGC_DG02994,BMG_DG081725,,N([C@H](C)c1ccccc1)c2nc3c(cn2)cc(cc3)-c4c5c([nH]nc5)ncn4,,KYPNKQIQCVXLPB-CYBMUJFWSA-N
BMGC_DG02995,BMG_DG081728,C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=C(C=C3)O,N1(c2c(C=Cc3c1cccc3)ccc(c2)O)C(=O)N,"InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-7-8-12(18)9-14(11)17/h1-9,18H,(H2,16,19)",QQCFBZCATDIWTH-UHFFFAOYSA-N
BMGC_DG02996,BMG_DG081736,CN1C=CC2=C(C1=O)C=CC(=C2)C3=CN=C4C=CC(=CC4=N3)C(=O)N5CCCCC5,,"InChI=1S/C24H22N4O2/c1-27-12-9-16-13-17(5-7-19(16)24(27)30)22-15-25-20-8-6-18(14-21(20)26-22)23(29)28-10-3-2-4-11-28/h5-9,12-15H,2-4,10-11H2,1H3",URHPFANOQLIROT-UHFFFAOYSA-N
BMGC_DG02997,BMG_DG081739,,c1(c(c(nc(n1)-n2cc(cn2)O)N)Br)-n3cccn3,,XSLJSHJSFPBCAB-UHFFFAOYSA-N
BMGC_DG02998,BMG_DG081759,C1=CC(=CC(=C1)[123I])CN=C(N)N,C(N)(NCc1cc([123I])ccc1)=N,"InChI=1S/C8H10IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)/i9-4",PDWUPXJEEYOOTR-IUAIQHPESA-N
BMGC_DG02999,BMG_DG081763,,[C@@H]1(CC[C@@H](CC1)O)C(=O)N(C[C@H]2CC[C@@H](CC2)c3cc(c(cc3)OC)C)c4cc(ccc4)-c5cnn(c5)C6CC6,,RPBNLMPTFCTXRQ-RYYHSFPWSA-N
BMGC_DG03000,BMG_DG081778,,c1cc(oc1)-c2nn3c(c4c(nc3N)n(c(=O)s4)CCN5CCN(c6cc(OCC[S+](C)[O-])c(F)cc6F)CC5)n2,,QYCCLUSYHJXDEX-UHFFFAOYSA-N
BMGC_DG03001,BMG_DG081779,,o1nc(cc1CCNC(c2cc(c(cc2)Cl)Cl)=O)C(=O)NO,,JFGOILLZIAIYGA-UHFFFAOYSA-N
BMGC_DG03002,BMG_DG081783,CCCN1CC(C1)OC2=CC=C(C=C2)[C@@H]3C4=C(C[C@H](N3CC(C)(C)F)C)C5=CC=CC=C5N4,C(C(C)(C)F)N1[C@@H](c2c(C[C@H]1C)c3c([nH]2)cccc3)c4ccc(cc4)OC5CN(C5)CCC,"InChI=1S/C28H36FN3O/c1-5-14-31-16-22(17-31)33-21-12-10-20(11-13-21)27-26-24(23-8-6-7-9-25(23)30-26)15-19(2)32(27)18-28(3,4)29/h6-13,19,22,27,30H,5,14-18H2,1-4H3/t19-,27-/m1/s1",LBSFUBLFDCAEKV-XHCCPWGMSA-N
BMGC_DG03003,BMG_DG081787,CC(C)(C)N1C=C(N=N1)C(=O)N[C@@H]2CCN(CC3=C2C=CC(=C3)C4=NC(=NC=C4)NC5=CN(N=C5)C)C6COC6,N(C(=O)c1cn(nn1)C(C)(C)C)[C@H]2c3c(cc(cc3)-c4nc(Nc5cn(nc5)C)ncc4)CN(CC2)C6COC6,"InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)/t24-/m1/s1",JSAQBOQCZJHWMA-XMMPIXPASA-N
BMGC_DG03004,BMG_DG081801,CN1C=NC=C1C2=C(C=CC(=C2)F)CN3CCP(=O)([C@](C3)(CCCCN)C(=O)O)O,,"InChI=1S/C20H28FN4O4P/c1-24-14-23-11-18(24)17-10-16(21)5-4-15(17)12-25-8-9-30(28,29)20(13-25,19(26)27)6-2-3-7-22/h4-5,10-11,14H,2-3,6-9,12-13,22H2,1H3,(H,26,27)(H,28,29)/t20-/m0/s1",ZBWZIBATIOSFOY-FQEVSTJZSA-N
BMGC_DG03005,BMG_DG081815,,c1ccnc2n1ncc2C(=O)Nc3cn(nc3-c4cc(Cl)ccc4OC(F)F)CC(=O)N(C)C,,QGVNXQDNNLLREZ-UHFFFAOYSA-N
BMGC_DG03006,BMG_DG081817,,C(C#N)C(C(=O)O)N,,BXRLWGXPSRYJDZ-UHFFFAOYSA-N
BMGC_DG03007,BMG_DG081835,COCCN(CCCCC1=NC2=C(CCCN2)C=C1)CC[C@@H](C(=O)O)NC3=NC=NC4=CC=CC=C43,[C@@H](CCN(CCCCc1nc2NCCCc2cc1)CCOC)(Nc3c4c(ncn3)cccc4)C(=O)O,"InChI=1S/C27H36N6O3/c1-36-18-17-33(15-5-4-8-21-12-11-20-7-6-14-28-25(20)31-21)16-13-24(27(34)35)32-26-22-9-2-3-10-23(22)29-19-30-26/h2-3,9-12,19,24H,4-8,13-18H2,1H3,(H,28,31)(H,34,35)(H,29,30,32)/t24-/m0/s1",CWOFQJBATWQSHL-DEOSSOPVSA-N
BMGC_DG03008,BMG_DG081925,,n1c2c(nc(nc2[nH]c1)Nc3ccc4ncccc4c3)NC5CC5.CS(=O)(O)=O.O.CS(=O)(O)=O.O,,FZCUKXDHZVKFFA-UHFFFAOYSA-N
BMGC_DG03009,BMG_DG081931,,C(Cc1cc(c(c(c1)I)Oc2cc(c(c(c2)I)OCc3nnn(c3)CCOCCOCCOCCOCCOCCOCCOc4ccc(cc4)CNC(=N)N)I)I)(=O)O,,DVWARFPIVDNTDK-UHFFFAOYSA-N
BMGC_DG03010,BMG_DG082030,,N1C(/C(/c2ccc(cc12)C(=O)N)=C(/c3ccccc3)\Nc4cc(ccc4)CN(C)C)=O,,FSZPIAXLCCQFCM-FCQUAONHSA-N
BMGC_DG03011,BMG_DG082031,C1CC1NC(=O)NC2=C(NN=C2)C3=NC4=C(N3)C=C(C=C4)CN5CCOCC5,c1cc(cc2nc([nH]c21)-c3n[nH]cc3NC(NC4CC4)=O)CN5CCOCC5,"InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)",LOLPPWBBNUVNQZ-UHFFFAOYSA-N
BMGC_DG03012,BMG_DG082035,C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2N=C(NC3=O)N,c12n([C@@H]3C([C@H](CO)[C@H](C3)O)=C)cnc1c(=O)[nH]c(n2)N,"InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1",QDGZDCVAUDNJFG-FXQIFTODSA-N
BMGC_DG03013,BMG_DG082036,CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N,c1c(N2CCN(CC2)C)ccc3c1[nH]c(n3)-c4c(c5c(cccc5F)[nH]c4=O)N,"InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)",PIQCTGMSNWUMAF-UHFFFAOYSA-N
BMGC_DG03014,BMG_DG082038,C1=NC2=C(N1COCCO)N=C(NC2=O)N,c12c(ncn1COCCO)c(=O)[nH]c(n2)N,"InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)",MKUXAQIIEYXACX-UHFFFAOYSA-N
BMGC_DG03015,BMG_DG082039,,c1(ccc(cc1)/N=N/c2c(n[nH]c2N)N)O,,AYZRKFOEZQBUEA-OUKQBFOZSA-N
BMGC_DG03016,BMG_DG082040,COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N,[C@@H]1(CC[C@@H](CC1)c2nc(c3c(ncnn32)N)-c4[nH]c5c(cccc5c4)OC)C(=O)O,"InChI=1S/C21H22N6O3/c1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29/h2-4,9-12,25H,5-8H2,1H3,(H,28,29)(H2,22,23,24)",JROFGZPOBKIAEW-UHFFFAOYSA-N;JROFGZPOBKIAEW-HAQNSBGRSA-N
BMGC_DG03017,BMG_DG082049,C1[C@@H](N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,C(N[C@H](C(=O)O)CCC(O)=O)(c1ccc(NC[C@@H]2N(c3c([nH]c(nc3=O)N)NC2)C=O)cc1)=O,"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1",VVIAGPKUTFNRDU-STQMWFEESA-N
BMGC_DG03018,BMG_DG082051,CN1[C@H](CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,CN1c2c(NC[C@@H]1CNc3ccc(cc3)C(N[C@@H](CCC(O)=O)C(O)=O)=O)nc([nH]c2=O)N,"InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1",ZNOVTXRBGFNYRX-STQMWFEESA-N
BMGC_DG03019,BMG_DG082053,C1=C(C2=C(N1)N=C(NC2=O)N)CN,NCc1c[nH]c2[nH]c(N)nc(=O)c12,"InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)",MEYMBLGOKYDGLZ-UHFFFAOYSA-N
BMGC_DG03020,BMG_DG082057,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,Nc1nc2c(N=C(CO)CN2)c(=O)[nH]1,"InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14)",CQQNNQTXUGLUEV-UHFFFAOYSA-N
BMGC_DG03021,BMG_DG082059,C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)O,c12n([C@H]3[C@@H]([C@@H]4OP(O)(=O)OC[C@H]4O3)O)cnc1c(nc([nH]2)N)=O,"InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",ZOOGRGPOEVQQDX-UUOKFMHZSA-N
BMGC_DG03022,BMG_DG082066,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)O)O)O)O,,"InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1",LQEBEXMHBLQMDB-GDJBGNAASA-N
BMGC_DG03023,BMG_DG082067,C[C@@H](C(=O)C1=NC2=C(NC1)N=C(NC2=O)N)O,O=c1nc(N)[nH]c2NCC(C(=O)[C@@H](O)C)=Nc21,"InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)/t3-/m0/s1",VPVOXUSPXFPWBN-VKHMYHEASA-N
BMGC_DG03024,BMG_DG082075,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)O,c12n([C@@H]3O[C@H](CO)[C@H](C3)O)cnc1c(=O)[nH]c(n2)N,"InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1",YKBGVTZYEHREMT-KVQBGUIXSA-N
BMGC_DG03025,BMG_DG082076,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)CO)O,n1cn(c2nc[nH]c(c12)=O)[C@H]3C[C@H](O)[C@H](O3)CO,"InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1",VGONTNSXDCQUGY-RRKCRQDMSA-N
BMGC_DG03026,BMG_DG082078,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)O)O,O=c1c2c(n(cn2)[C@@H]3O[C@H](COP(OP(=O)([O-])[O-])(=O)[O-])[C@@H](O)C3)[nH]c(N)n1,"InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",CIKGWCTVFSRMJU-KVQBGUIXSA-N;CIKGWCTVFSRMJU-KVQBGUIXSA-K
BMGC_DG03027,BMG_DG082080,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O,c12n([C@@H]3O[C@H](COP(O)(=O)O)[C@H](C3)O)cnc1c(=O)[nH]c(n2)N,"InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",LTFMZDNNPPEQNG-KVQBGUIXSA-N
BMGC_DG03028,BMG_DG082082,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,C1[C@H](n2c3c(nc2)c(=O)[nH]c(n3)N)O[C@@H]([C@H]1O)COP(OP(OP(=O)(O)O)(=O)O)(=O)O,"InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",HAAZLUGHYHWQIW-KVQBGUIXSA-N
BMGC_DG03029,BMG_DG082085,C1C(=NC2=C(N1)N=C(NC2=O)N)[C@@H]([C@@H](CO)O)O,,"InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6+/m1/s1",YQIFAMYNGGOTFB-XINAWCOVSA-N
BMGC_DG03030,BMG_DG082087,C1C(=NC2=C(N1)N=C(NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,c1(nc(c2c([nH]1)NCC(=N2)CNc3ccc(cc3)C(N[C@H](C(=O)O)CCC(=O)O)=O)=O)N,"InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1",OZRNSSUDZOLUSN-LBPRGKRZSA-N
BMGC_DG03031,BMG_DG082100,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",QGWNDRXFNXRZMB-UUOKFMHZSA-N
BMGC_DG03032,BMG_DG082107,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,O(P(O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(O)=O)P(O)(OC[C@H]2O[C@@H](n3cnc4c3[nH]c(nc4=O)N)[C@H](O)[C@@H]2O)=O,"InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1",MVMSCBBUIHUTGJ-GDJBGNAASA-N
BMGC_DG03033,BMG_DG082109,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,,"InChI=1S/C10H18N5O20P5/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(32-39(26,27)33-36(18,19)20)3(31-9)1-30-38(24,25)35-40(28,29)34-37(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H,28,29)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",KCPMACXZAITQAX-UUOKFMHZSA-N
BMGC_DG03034,BMG_DG082111,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,c12n([C@@H]3O[C@H](COP(O)(O)=O)[C@H]([C@H]3O)O)cnc1c([nH]c(n2)N)=O,"InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",RQFCJASXJCIDSX-UUOKFMHZSA-N
BMGC_DG03035,BMG_DG082113,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,O[C@H]1[C@H](n2c3c(nc2)c(=O)[nH]c(n3)N)O[C@@H]([C@H]1O)COP(OP(OP(=O)(O)O)(=O)O)(=O)O,"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",XKMLYUALXHKNFT-UUOKFMHZSA-N
BMGC_DG03036,BMG_DG082114,C1=NC2=C(N1)C(=O)NC(=N2)N,n1c2c(nc[nH]2)c([nH]c1N)=O,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",UYTPUPDQBNUYGX-UHFFFAOYSA-N
BMGC_DG03037,BMG_DG082115,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,c12n([C@H]3[C@@H]([C@H](O)[C@H](O3)CO)O)cnc1c(=O)[nH]c(n2)N,"InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1",NYHBQMYGNKIUIF-UUOKFMHZSA-N
BMGC_DG03038,BMG_DG082117,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,,"InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",BUFLLCUFNHESEH-UUOKFMHZSA-N
BMGC_DG03039,BMG_DG082118,C1=NC2=C(N1)C(=O)NC=N2,c12c(nc[nH]c1=O)[nH]cn2,"InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",FDGQSTZJBFJUBT-UHFFFAOYSA-N
BMGC_DG03040,BMG_DG082120,C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,c1n(c2nc[nH]c(=O)c2n1)[C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O,"InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",GRSZFWQUAKGDAV-KQYNXXCUSA-N
BMGC_DG03041,BMG_DG082121,C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,n1(c2c(c(=O)[nH]cn2)nc1)[C@H]3[C@H](O)[C@@H]([C@H](O3)CO)O,"InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1",UGQMRVRMYYASKQ-KQYNXXCUSA-N
BMGC_DG03042,BMG_DG082123,C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,n1(c2c(c([nH]cn2)=O)nc1)[C@@H]3O[C@H](COP(OP(OP(O)(O)=O)(O)=O)(O)=O)[C@H]([C@H]3O)O,"InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",HAEJPQIATWHALX-KQYNXXCUSA-N
BMGC_DG03043,BMG_DG082128,C1[C@@H](NC2=C(N1)N=C(NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,,"InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1",MSTNYGQPCMXVAQ-RYUDHWBXSA-N
BMGC_DG03044,BMG_DG082129,C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O,c12nc[nH]c(=O)c1ncn2[C@H]3[C@H](O)[C@@H]([C@H](O3)COP(OP(=O)(O)O)(=O)O)O,"InChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",JPXZQMKKFWMMGK-KQYNXXCUSA-N
BMGC_DG03045,BMG_DG082131,C[C@@H]([C@@H]([C@H]1CN=C2C(=N1)C(=O)NC(=N2)N)O)O,,"InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17)/t3-,4+,6-/m0/s1",ZHQJVZLJDXWFFX-RPDRRWSUSA-N
BMGC_DG03046,BMG_DG082132,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,[C@@]1([C@H]([C@H](C)O)O)(CNc2c(N1)c(nc(N)[nH]2)=O)[H],"InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1",FNKQXYHWGSIFBK-RPDRRWSUSA-N
BMGC_DG03047,BMG_DG082135,C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N,O=c1c2c(ncc(n2)CNc3ccc(cc3)C(N[C@@H](CCC(O)=O)C(O)=O)=O)nc([nH]1)N,"InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1",OVBPIULPVIDEAO-LBPRGKRZSA-N
BMGC_DG03048,BMG_DG082138,CN1C=NC(=N)C2=C1N=CN2,c12-c(n(cnc1N)C)ncn2;N=c1c2c(n(cn1)C)[nH]cn2,"InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3,7H,1H3,(H,8,9)",FSASIHFSFGAIJM-UHFFFAOYSA-N;ZPBYVFQJHWLTFB-UHFFFAOYSA-N
BMGC_DG03049,BMG_DG082145,C1[C@@H](N=C(N[C@H]1O)N)[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H](CCCN)N,C/1(\NC([C@@H](NC([C@@H](NC(=O)[C@H](CNC([C@@](NC1=O)([C@@]2(N=C(N[C@H](C2)O)N)[H])[H])=O)NC(C[C@@H](N)CCCN)=O)CO)=O)CO)=O)=C\NC(=O)N,"InChI=1S/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48)/b13-7-/t10-,11+,12-,14-,15-,17-,18-/m0/s1",GXFAIFRPOKBQRV-GHXCTMGLSA-N
BMGC_DG03050,BMG_DG082154,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,,"InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1",FEMXZDUTFRTWPE-DZSWIPIPSA-N
BMGC_DG03051,BMG_DG082160,C1C(=O)N=C(S1)C2=NC3=C(S2)C=C(C=C3)O,O=C1CSC(c2nc3ccc(O)cc3s2)=N1,"InChI=1S/C10H6N2O2S2/c13-5-1-2-6-7(3-5)16-10(11-6)9-12-8(14)4-15-9/h1-3,13H,4H2",JJVOROULKOMTKG-UHFFFAOYSA-N
BMGC_DG03052,BMG_DG082162,CN1C=[N+](C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,C[n+]1c2c(n(c1)[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)[nH]c(N)nc2=O,"InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/p+1/t4-,6-,7-,10-/m1/s1",AOKQNZVJJXPUQA-KQYNXXCUSA-O
BMGC_DG03053,BMG_DG082173,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,c12n([C@H]3[C@@H]([C@H](OP(=O)(O)O)[C@H](O3)CO)O)cnc1c([nH]c(n2)N)=O,"InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",ZDPUTNZENXVHJC-UUOKFMHZSA-N
BMGC_DG03054,BMG_DG082176,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,O[C@H]1[C@H](n2c3c(nc2)c(=O)[nH]c(n3)N)O[C@@H]([C@H]1O)COP(OP(CP(=O)(O)O)(=O)O)(=O)O,"InChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-32(25,26)29-31(23,24)3-30(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1",PHBDHXOBFUBCJD-KQYNXXCUSA-N
BMGC_DG03055,BMG_DG082179,C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C)/C,c12c3O[C@@](C1=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H](O)[C@H](/C=C/C=C(\C(Nc4c(c(c2c(c4/C=N/N5CCN(CC5)C)O)c(c3C)O)O)=O)/C)C)C)O)C)OC(=O)C)C)OC)C,"InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1",JQXXHWHPUNPDRT-WLSIYKJHSA-N
BMGC_DG03056,BMG_DG082180,C[C@H]1[C@@H](C(=O)N1S(=O)(=O)[O-])NC(=O)/C(=N\OC(C)(C)C(=O)O)/C2=CSC(=[NH+]2)N,,"InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1",WZPBZJONDBGPKJ-VEHQQRBSSA-N
BMGC_DG03057,BMG_DG082181,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,C1(=Nc2c(ccc(c2)Cl)Nc3c1cccc3)N4CCN(CC4)C,"InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3",QZUDBNBUXVUHMW-UHFFFAOYSA-N
BMGC_DG03058,BMG_DG082182,CN(C)/N=N/C1=C(NC=N1)C(=O)N,c1(c(/N=N/N(C)C)[nH]cn1)C(=O)N,"InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+",FDKXTQMXEQVLRF-ZHACJKMWSA-N
BMGC_DG03059,BMG_DG082183,C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CNC3=O,n1(c2c(c(=O)[nH]cn2)nc1)[C@@H]3O[C@H](CO)CC3,"InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1",BXZVVICBKDXVGW-NKWVEPMBSA-N
BMGC_DG03060,BMG_DG082184,C1=NC2=C(N1COC(CO)CO)N=C(NC2=O)N,C(C(CO)OCn1cnc2c1nc(N)[nH]c2=O)O,"InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)",IRSCQMHQWWYFCW-UHFFFAOYSA-N
BMGC_DG03061,BMG_DG082185,CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N.Cl,c12c(ncn1COCCOC([C@@H](N)C(C)C)=O)c(=O)[nH]c(n2)N.Cl,"InChI=1S/C13H20N6O4.ClH/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20;/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20);1H/t8-;/m0./s1",ZCDDBUOENGJMLV-QRPNPIFTSA-N
BMGC_DG03062,BMG_DG082186,CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N,c12c(ncn1COCCOC([C@@H](N)C(C)C)=O)c(=O)[nH]c(n2)N,"InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1",HDOVUKNUBWVHOX-QMMMGPOBSA-N
BMGC_DG03063,BMG_DG082187,C[C@H]1/C=C/C=C(\C(=O)N=C2C(=C3C(=C4C2=NC5(N4)CCN(CC5)CC(C)C)C6=C(C(=C3O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)O)/C,,"InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,48,52-55H,16-19,21H2,1-11H3/b13-12+,20-15+,24-14-,47-36?/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1",ZWBTYMGEBZUQTK-PVLSIAFMSA-N
BMGC_DG03064,BMG_DG082188,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,c1([nH]c(=O)c2n(C)nc(CCC)c2n1)-c3c(ccc(c3)S(=O)(=O)N4CCN(CC4)C)OCC,"InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)",BNRNXUUZRGQAQC-UHFFFAOYSA-N
BMGC_DG03065,BMG_DG082189,CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C,c12c(Nc3ccccc3N=C1N4CCN(CC4)C)sc(c2)C,"InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3",KVWDHTXUZHCGIO-UHFFFAOYSA-N
BMGC_DG03066,BMG_DG082190,C[N+]1=CC=CC=C1/C=N/O,c1([n+](cccc1)C)/C=N/O,"InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1",JBKPUQTUERUYQE-UHFFFAOYSA-O
BMGC_DG03067,BMG_DG082191,C1=NC2=C(N1CCC(CO)CO)N=C(NC2=O)N,c12c(c(=O)[nH]c(n1)N)ncn2CCC(CO)CO,"InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)",JNTOCHDNEULJHD-UHFFFAOYSA-N
BMGC_DG03068,BMG_DG082194,C1=NNC2=C1C(=O)NC(=O)N2,[nH]1c2c(cn[nH]2)c([nH]c1=O)=O,"InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)",HXNFUBHNUDHIGC-UHFFFAOYSA-N
BMGC_DG03069,BMG_DG082199,CCCOC1=CC=CC=C1C2=NC3=NNN=C3C(=O)N2,[nH]1c(-c2ccccc2OCCC)nc3c(c1=O)nn[nH]3,"InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)",REZGGXNDEMKIQB-UHFFFAOYSA-N
BMGC_DG03070,BMG_DG082208,C1=CC(=CC(=C1)Cl)N=C(N)N=C(N)N,c1ccc(cc1Cl)NC(NC(N)=N)=N,"InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)",DIHXJZHAIHGSAW-UHFFFAOYSA-N
BMGC_DG03071,BMG_DG082212,CC1=NC2=C(C=C(C=C2)CN(C)C3=CC=C(S3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)N1,c1(c2c(ccc(CN(c3sc(C(N[C@H](C(=O)O)CCC(=O)O)=O)cc3)C)c2)nc([nH]1)C)=O,"InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1",IVTVGDXNLFLDRM-HNNXBMFYSA-N
BMGC_DG03072,BMG_DG082214,CC1=C(C2=C(C=C1)N=C(NC2=O)N)SC3=CC=NC=C3,c1(c2c(Sc3ccncc3)c(ccc2nc([nH]1)N)C)=O,"InChI=1S/C14H12N4OS/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9/h2-7H,1H3,(H3,15,17,18,19)",XHWRWCSCBDLOLM-UHFFFAOYSA-N
BMGC_DG03073,BMG_DG082215,C1C2CN(CN2C3=C(N1)N=C(NC3=O)N)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2CC3CNc4c(c(=O)[nH]c(N)n4)N3C2,"InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12?,13-/m0/s1",QYNUQALWYRSVHF-ABLWVSNPSA-N
BMGC_DG03074,BMG_DG082216,CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C,n1c(-c2cc(ccc2OCC)S(N3CCN(CC3)CC)(=O)=O)[nH]n4c(c1=O)c(C)nc4CCC,"InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)",SECKRCOLJRRGGV-UHFFFAOYSA-N
BMGC_DG03075,BMG_DG082237,C1=NNC2=C1C(=O)NC=N2,c12c([nH]cnc1=O)[nH]nc2,"InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)",OFCNXPDARWKPPY-UHFFFAOYSA-N
BMGC_DG03076,BMG_DG082240,C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,,"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)",VVIAGPKUTFNRDU-UHFFFAOYSA-N
BMGC_DG03077,BMG_DG082242,CC(C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O,,"InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)",FEMXZDUTFRTWPE-UHFFFAOYSA-N
BMGC_DG03078,BMG_DG082245,CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O,,"InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)",FNKQXYHWGSIFBK-UHFFFAOYSA-N
BMGC_DG03079,BMG_DG082256,C12=NNN=C1N=C(NC2=O)N,c12nc(N)[nH]c(c1nn[nH]2)=O,"InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)",LPXQRXLUHJKZIE-UHFFFAOYSA-N
BMGC_DG03080,BMG_DG082257,C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Ca+2],[O-]C(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccc(cc1)NCC2CNc3[nH]c(N)nc(=O)c3N2C=O.[Ca+2],"InChI=1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+2/p-2/t12?,13-;/m0./s1",KVUAALJSMIVURS-ZEDZUCNESA-L
BMGC_DG03081,BMG_DG082258,C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,C(N[C@H](C(=O)O)CCC(O)=O)(c1ccc(NCC2N(c3c([nH]c(nc3=O)N)NC2)C=O)cc1)=O,"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1",VVIAGPKUTFNRDU-ABLWVSNPSA-N
BMGC_DG03082,BMG_DG082260,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,O[C@H]1[C@H](n2c3c(nc2)c(=O)nc(N)[nH]3)O[C@H](COP(OP(NP(=O)(O)O)(=O)O)(=O)O)[C@H]1O,"InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1",UQABYHGXWYXDTK-UUOKFMHZSA-N
BMGC_DG03083,BMG_DG082271,C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C6CCCC6)/C,C1(CCCC1)N2CCN(\N=C\c3c4c(O)c5c(O)c(C)c6c(c5c3O)C([C@](C)(O6)O/C=C/[C@H](OC)[C@@H](C)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](\C=C\C=C(\C)/C(N4)=O)C)OC(=O)C)=O)CC2,"InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1",WDZCUPBHRAEYDL-GZAUEHORSA-N
BMGC_DG03084,BMG_DG082281,C1=NC2=C(N1COCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(NC2=O)N,C(OCCOP(OP(OP(=O)(O)O)(=O)O)(=O)O)n1c2c(nc1)c(=O)nc(N)[nH]2,"InChI=1S/C8H14N5O12P3/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-22-1-2-23-27(18,19)25-28(20,21)24-26(15,16)17/h3H,1-2,4H2,(H,18,19)(H,20,21)(H2,15,16,17)(H3,9,11,12,14)",AYWLSIKEOSXJLA-UHFFFAOYSA-N
BMGC_DG03085,BMG_DG082346,C([C@@H](C(=O)O)N)/[N+](=N/O)/[O-],[C@H](CN(N=O)O)(C(=O)O)N,"InChI=1S/C3H7N3O4/c4-2(3(7)8)1-6(10)5-9/h2,9H,1,4H2,(H,7,8)/b6-5-/t2-/m0/s1",ZGNLFUXWZJGETL-YUSKDDKASA-N;MLFKVJCWGUZWNV-REOHCLBHSA-N
BMGC_DG03086,BMG_DG082351,C1COCC2=C3C(=CN=C21)NC(=N3)C4=NOC=C4,c12c3c(ncc1[nH]c(n2)-c4ccon4)CCOC3,"InChI=1S/C12H10N4O2/c1-3-17-6-7-8(1)13-5-10-11(7)15-12(14-10)9-2-4-18-16-9/h2,4-5H,1,3,6H2,(H,14,15)",ITPFSYAYHHPKRT-UHFFFAOYSA-N
BMGC_DG03087,BMG_DG082354,C1C2=C(C=CC(=C2Cl)Cl)N=C3N1CC(=O)N3,N12CC(=O)N=C1Nc3c(C2)c(c(cc3)Cl)Cl,"InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)",OTBXOEAOVRKTNQ-UHFFFAOYSA-N
BMGC_DG03088,BMG_DG082355,C1=C(C2=C(N1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,c1(c2c(c([nH]cn2)=O)[nH]c1)[C@@H]3N[C@H](CO)[C@H]([C@H]3O)O,"InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1",IWKXDMQDITUYRK-KUBHLMPHSA-N
BMGC_DG03089,BMG_DG082360,CCCCCN=C(N)N/N=C/C1=CNC2=C1C=C(C=C2)OC,c1(/C=N/NC(NCCCCC)=N)c[nH]c2c1cc(cc2)OC,"InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)/b20-11+",IKBKZGMPCYNSLU-RGVLZGJSSA-N
BMGC_DG03090,BMG_DG082371,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)OCC6=C(OC(=O)O6)C,c1(c(cccc1)-c2[nH]c(on2)=O)-c3ccc(Cn4c(nc5cccc(C(OCc6c(oc(o6)=O)C)=O)c54)OCC)cc3,"InChI=1S/C30H24N4O8/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26/h4-14H,3,15-16H2,1-2H3,(H,32,33,36)",QJFSABGVXDWMIW-UHFFFAOYSA-N
BMGC_DG03091,BMG_DG082380,C1CCN(CC1)C2=CC3=C(C=C2)N=C4NC(=O)CN4C3,C12=NC(=O)CN1Cc3cc(N4CCCCC4)ccc3N2,"InChI=1S/C15H18N4O/c20-14-10-19-9-11-8-12(18-6-2-1-3-7-18)4-5-13(11)16-15(19)17-14/h4-5,8H,1-3,6-7,9-10H2,(H,16,17,20)",MNVCNERGJZWWAO-UHFFFAOYSA-N
BMGC_DG03092,BMG_DG082384,C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,c12nc(N)[nH]c(c1c(CCc3ccc(C(N[C@H](C(O)=O)CCC(O)=O)=O)cc3)c[nH]2)=O,"InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1",WBXPDJSOTKVWSJ-ZDUSSCGKSA-N
BMGC_DG03093,BMG_DG082390,C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)O,,"InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)",LDGIHZJOIQSHPB-UHFFFAOYSA-N
BMGC_DG03094,BMG_DG082395,COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=NC=C2)O,,"InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)/b16-9+",PSWOBQSIXLVPDV-CXUHLZMHSA-N
BMGC_DG03095,BMG_DG082405,C1=C[N+](=CC=C1/C=N/O)COC[N+]2=CC=C(C=C2)/C=N/O,[n+]1(ccc(/C=N/O)cc1)COC[n+]2ccc(/C=N/O)cc2,"InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2",HIGRLDNHDGYWQJ-UHFFFAOYSA-P
BMGC_DG03096,BMG_DG082406,C1CCC2=C(C1)C3=C(S2)NC(=O)CN=C3C4=CC=CC=C4,c12c3c(CCCC3)sc1NC(=O)CN=C2c4ccccc4,"InChI=1S/C17H16N2OS/c20-14-10-18-16(11-6-2-1-3-7-11)15-12-8-4-5-9-13(12)21-17(15)19-14/h1-3,6-7H,4-5,8-10H2,(H,19,20)",AIZFEOPQVZBNGH-UHFFFAOYSA-N
BMGC_DG03097,BMG_DG082410,C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)Br,c1(c(nc([nH]c1=O)N)-c2ccccc2)Br,"InChI=1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)",CIUUIPMOFZIWIZ-UHFFFAOYSA-N
BMGC_DG03098,BMG_DG082414,COC1=CC2=C(C=C1C(=O)NCC3CCCN3CC=C)NN=N2,c1(cc2nn[nH]c2cc1OC)C(NCC3N(CC=C)CCC3)=O,"InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)",KSEYRUGYKHXGFW-UHFFFAOYSA-N
BMGC_DG03099,BMG_DG082418,C1=CC=C2C(=C1)[N+](=C(N=[N+]2[O-])N)[O-],[n+]1(nc(N)[n+](c2c1cccc2)[O-])[O-],"InChI=1S/C7H6N4O2/c8-7-9-11(13)6-4-2-1-3-5(6)10(7)12/h1-4H,(H2,8,9)",ORYDPOVDJJZGHQ-UHFFFAOYSA-N
BMGC_DG03100,BMG_DG082421,C1[C@H](CNC2=C1C(=O)NC(=N2)N)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,c12nc(N)[nH]c(c1C[C@H](CN2)CCc3ccc(C(N[C@H](C(O)=O)CCC(O)=O)=O)cc3)=O,"InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15+/m1/s1",ZUQBAQVRAURMCL-DOMZBBRYSA-N
BMGC_DG03101,BMG_DG082422,C1[C@@H]([C@H]([C@@H]1N2C=NC3=C2N=C(NC3=O)N)CO)CO,c12n([C@H]3[C@H](CO)[C@H](C3)CO)cnc1c(=O)[nH]c(n2)N,"InChI=1S/C11H15N5O3/c12-11-14-9-8(10(19)15-11)13-4-16(9)7-1-5(2-17)6(7)3-18/h4-7,17-18H,1-3H2,(H3,12,14,15,19)/t5-,6-,7-/m1/s1",GWFOVSGRNGAGDL-FSDSQADBSA-N
BMGC_DG03102,BMG_DG082427,C1=CC(=CN=C1)CC2=CNC3=C2N=C(NC3=O)N,c12c(nc([nH]c1=O)N)c(Cc3cnccc3)c[nH]2,"InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18)",DOHVAKFYAHLCJP-UHFFFAOYSA-N
BMGC_DG03103,BMG_DG082434,CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1N=C(NC2=O)N)N,[nH]1c(nc2c(ncn2COC(COC([C@H](C(C)C)N)=O)CO)c1=O)N,"InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1",WPVFJKSGQUFQAP-GKAPJAKFSA-N
BMGC_DG03104,BMG_DG082435,C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F,c1(cc(cc(c1)C(F)(F)F)[C@H](O[C@@H]2[C@@H](N(CCO2)Cc3[nH][nH]c(n3)=O)c4ccc(cc4)F)C)C(F)(F)F,"InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1",ATALOFNDEOCMKK-OITMNORJSA-N
BMGC_DG03105,BMG_DG082437,C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NN(C(=O)N3)P(=O)(O)O)C4=CC=C(C=C4)F,O([C@@H]1[C@@H](N(Cc2[nH]c(n(n2)P(O)(O)=O)=O)CCO1)c3ccc(cc3)F)[C@@H](c4cc(cc(c4)C(F)(F)F)C(F)(F)F)C,"InChI=1S/C23H22F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38)/t12-,19+,20-/m1/s1",BARDROPHSZEBKC-OITMNORJSA-N
BMGC_DG03106,BMG_DG082438,CCCCCN=C(N)N/N=C/C1=CNC2=C1C=C(C=C2)OC.C(=C\C(=O)O)\C(=O)O,C(/C=C\C(=O)O)(=O)O.c1(cc2c([nH]cc2/C=N/NC(NCCCCC)=N)cc1)OC,"InChI=1S/C16H23N5O.C4H4O4/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15;5-3(6)1-2-4(7)8/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21);1-2H,(H,5,6)(H,7,8)/b20-11+;2-1-",CPDDZSSEAVLMRY-FEQFWAPWSA-N
BMGC_DG03107,BMG_DG082441,C1CNC[C@@H]1N2CC/C(=C\C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\O)/C5=NSC(=N5)N)SC3)C(=O)O)/C2=O,N1CC[C@@H](N2C(/C(=C/C3=C(N4[C@](SC3)([C@H](NC(\C(\c5nsc(n5)N)=N/O)=O)C4=O)[H])C(=O)O)/CC2)=O)C1,"InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10,12,18,22,34H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/b8-5+,25-11-/t10-,12-,18-/m1/s1",VOAZJEPQLGBXGO-SDAWRPRTSA-N
BMGC_DG03108,BMG_DG082442,CC1=C(OC(=O)O1)COC(=O)N2CC[C@H](C2)N3CC/C(=C\C4=C(N5[C@@H]([C@@H](C5=O)NC(=O)/C(=N\O)/C6=NSC(=N6)N)SC4)C(=O)[O-])/C3=O.[Na+],c1(oc(=O)oc1C)COC(N2CC[C@@H](N3C(/C(=C/C4=C(N5[C@](SC4)([C@H](NC(\C(\c6nsc(n6)N)=N/O)=O)C5=O)[H])C(=O)[O-])/CC3)=O)C2)=O.[Na+],"InChI=1S/C26H26N8O11S2.Na/c1-10-14(45-26(41)44-10)8-43-25(40)32-4-3-13(7-32)33-5-2-11(20(33)36)6-12-9-46-22-16(21(37)34(22)17(12)23(38)39)28-19(35)15(30-42)18-29-24(27)47-31-18;/h6,13,16,22,42H,2-5,7-9H2,1H3,(H,28,35)(H,38,39)(H2,27,29,31);/q;+1/p-1/b11-6+,30-15-;/t13-,16-,22-;/m1./s1",MFAWUGGPPMTWPU-LCJFHXTKSA-M
BMGC_DG03109,BMG_DG082443,CC1=C(OC(=O)O1)COC(=O)N2CC[C@H](C2)N3CC/C(=C\C4=C(N5[C@@H]([C@@H](C5=O)NC(=O)/C(=N\O)/C6=NSC(=N6)N)SC4)C(=O)O)/C3=O,c1(oc(=O)oc1C)COC(N2CC[C@@H](N3C(/C(=C/C4=C(N5[C@](SC4)([C@H](NC(\C(\c6nsc(n6)N)=N/O)=O)C5=O)[H])C(=O)O)/CC3)=O)C2)=O,"InChI=1S/C26H26N8O11S2/c1-10-14(45-26(41)44-10)8-43-25(40)32-4-3-13(7-32)33-5-2-11(20(33)36)6-12-9-46-22-16(21(37)34(22)17(12)23(38)39)28-19(35)15(30-42)18-29-24(27)47-31-18/h6,13,16,22,42H,2-5,7-9H2,1H3,(H,28,35)(H,38,39)(H2,27,29,31)/b11-6+,30-15-/t13-,16-,22-/m1/s1",HFTSMHTWUFCYMJ-YIOMYIDASA-N
BMGC_DG03110,BMG_DG082445,,N1C(c2c(/C(/CC1)=C/3\N=C(NC3=O)N)cc([nH]2)Br)=O,,ATBAETXFFCOZOY-DAXSKMNVSA-N
BMGC_DG03111,BMG_DG082446,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NCCC4CCCN4C)OCCC)C,c1(CCC)nn(c2c(nc(-c3c(OCCC)ccc(c3)S(=O)(=O)NCCC4CCCN4C)[nH]c21)=O)C,"InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)",IYFNEFQTYQPVOC-UHFFFAOYSA-N
BMGC_DG03112,BMG_DG082449,CCN=C1NC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3,c1c(cc2c(c1)N=C(NCC)OC2(c3ccccc3)C)Cl,"InChI=1S/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)",IBYCYJFUEJQSMK-UHFFFAOYSA-N
BMGC_DG03113,BMG_DG082454,CCNCC1=CN=CC(=C1C)C2=CC3=C(C=C2)NN=C3C4=NC5=C(N4)C=C(C=C5F)F,c1(cc(cc2c1nc(-c3c4cc(-c5cncc(CNCC)c5C)ccc4[nH]n3)[nH]2)F)F,"InChI=1S/C23H20F2N6/c1-3-26-9-14-10-27-11-17(12(14)2)13-4-5-19-16(6-13)21(31-30-19)23-28-20-8-15(24)7-18(25)22(20)29-23/h4-8,10-11,26H,3,9H2,1-2H3,(H,28,29)(H,30,31)",MEKASOQEXYKAKM-UHFFFAOYSA-N
BMGC_DG03114,BMG_DG082472,C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=NC6(CCN(CC6)CC(C)C)N=C25)O)/C,C12=C3C(=NC4(N3)CCN(CC4)CC(C)C)c5c(C1=O)c(c(c6O[C@@](C(c56)=O)(O/C=C/[C@@H]([C@@H](C)[C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(N2)=O)/C)C)O)C)O)C)OC(=O)C)OC)C)C)O,"InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,52-55H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1",AZFBLLCNOQPJGJ-VXTBVIBXSA-N;ATEBXHFBFRCZMA-VXTBVIBXSA-N
BMGC_DG03115,BMG_DG082480,CN1C=[N+](C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O,,"InChI=1S/C21H29N10O17P3/c1-29-6-31(17-10(29)18(36)28-21(23)27-17)20-14(35)12(33)8(46-20)3-44-50(39,40)48-51(41,42)47-49(37,38)43-2-7-11(32)13(34)19(45-7)30-5-26-9-15(22)24-4-25-16(9)30/h4-8,11-14,19-20,32-35H,2-3H2,1H3,(H7-,22,23,24,25,27,28,36,37,38,39,40,41,42)/p+1/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",QQOHNVHGNZYSBP-XPWFQUROSA-O
BMGC_DG03116,BMG_DG082482,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)O,n1(c(nc2c1c(C(=O)O)ccc2)OCC)Cc3ccc(-c4c(-c5[nH]c(=O)on5)cccc4)cc3,"InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)",KGSXMPPBFPAXLY-UHFFFAOYSA-N
BMGC_DG03117,BMG_DG082483,CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,CN1c2c(NCC1CNc3ccc(cc3)C(N[C@@H](CCC(O)=O)C(O)=O)=O)nc([nH]c2=O)N,"InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12?,13-/m0/s1",ZNOVTXRBGFNYRX-ABLWVSNPSA-N
BMGC_DG03118,BMG_DG082485,C1=CC(=C(C(=C1)Cl)N=C2NC(=O)/C(=C/C3=CC4=NC=CN=C4C=C3)/S2)Cl,S\1C(=NC(/C1=C/c2cc3nccnc3cc2)=O)Nc4c(cccc4Cl)Cl,"InChI=1S/C18H10Cl2N4OS/c19-11-2-1-3-12(20)16(11)23-18-24-17(25)15(26-18)9-10-4-5-13-14(8-10)22-7-6-21-13/h1-9H,(H,23,24,25)/b15-9-",RJPNRXFBYZVRIB-DHDCSXOGSA-N
BMGC_DG03119,BMG_DG082496,,N12C(Nc3c(C1)c(ccc3)Cl)=NC([C@H]2C)=O,,BHZFZYLBVSWUMT-ZCFIWIBFSA-N
BMGC_DG03120,BMG_DG082521,C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O,N1(CCN(CC1)Cc2ccccc2)CC(=O)N/N=C/c3c(c(ccc3)CC=C)O,"InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16+",YQNRVGJCPCNMKT-LFVJCYFKSA-N
BMGC_DG03121,BMG_DG082544,CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O,O=C(c1ccc\2c(NC(/C2=C(/c3ccccc3)\Nc4ccc(N(C(CN5CCN(C)CC5)=O)C)cc4)=O)c1)OC,"InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,33,38H,15-18,20H2,1-3H3",XZXHXSATPCNXJR-ZIADKAODSA-N;CPMDPSXJELVGJG-UHFFFAOYSA-N
BMGC_DG03122,BMG_DG082545,,c1(ccccn1)/C=N/O,,MTFJSAGADRTKCI-VMPITWQZSA-N
BMGC_DG03123,BMG_DG082550,C1=CC(=C(C=C1N=C(C2=NON=C2N)NO)Cl)F,N(\c1ccc(F)c(Cl)c1)=C(/c2c(N)non2)\NO,"InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)",HGXSLPIXNPASGZ-UHFFFAOYSA-N
BMGC_DG03124,BMG_DG082610,CC1=CC2=C(C=C1CN(CC#C)C3=CC(=C(C=C3)C(=O)N[C@@H](CCC4=NNN=N4)C(=O)O)F)C(=O)NC(=N2)C,n1c(C)[nH]c2c(cc(CN(c3ccc(C(=O)N[C@@H](CCc4nnn[nH]4)C(=O)O)c(c3)F)CC#C)c(C)c2)c1=O,"InChI=1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m0/s1",IEJSCSAMMLUINT-NRFANRHFSA-N
BMGC_DG03125,BMG_DG082614,CC1=C(SC(=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC[C@H]2CC3=C(NC2)N=C(NC3=O)N,c12nc(N)[nH]c(c1C[C@@H](CN2)CCc3sc(C(N[C@H](C(=O)O)CCC(=O)O)=O)cc3C)=O,"InChI=1S/C20H25N5O6S/c1-9-6-14(18(29)23-12(19(30)31)3-5-15(26)27)32-13(9)4-2-10-7-11-16(22-8-10)24-20(21)25-17(11)28/h6,10,12H,2-5,7-8H2,1H3,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t10-,12-/m0/s1",QXOPTIPQEVJERB-JQWIXIFHSA-N
BMGC_DG03126,BMG_DG082615,C[C@H]1/C=C/C=C(\C(=O)NC2=C3C(=C4C(=C(C(=C5C4=C([C@](O5)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)O)C)O)C2=O)N=C6C(=CC(=CC6=O)N7CCN(CC7)CC(C)C)O3)/C,c12c3-c(nc4c(o3)cc(N5CCN(CC5)CC(C)C)cc4O)c6c(c1=O)c(c(c7O[C@@](C(c67)=O)(O/C=C/[C@@H]([C@@H](C)[C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(N2)=O)/C)C)O)C)O)C)OC(=O)C)OC)C)C)O,"InChI=1S/C51H64N4O13/c1-24(2)23-54-16-18-55(19-17-54)32-21-33(57)39-35(22-32)67-48-40(52-39)36-37-44(60)30(8)47-38(36)49(62)51(10,68-47)65-20-15-34(64-11)27(5)46(66-31(9)56)29(7)43(59)28(6)42(58)25(3)13-12-14-26(4)50(63)53-41(48)45(37)61/h12-15,20-22,24-25,27-29,34,42-43,46,58-60,62H,16-19,23H2,1-11H3,(H,53,63)/b13-12+,20-15+,26-14-/t25-,27+,28+,29+,34-,42-,43+,46+,51-/m0/s1",IXSVOCGZBUJEPI-HTQYORAHSA-N;UEFHFKKWYKVLDC-HTQYORAHSA-N
BMGC_DG03127,BMG_DG082640,,C(=N/NC(N)=S)\c1cc(OC)c(O)cc1,,FJQYXPHDGKUTQE-VZUCSPMQSA-N
BMGC_DG03128,BMG_DG082641,CCC(C(=O)NC/C=C/C=C(\C)/C(C(C)C1C(C(C(O1)/C=C/C=C/C=C(\C)/C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)C3(C(C(C(C(O3)/C=C/C=C/C)(C)C)OC4C(C(C(C(O4)C)OC5C(C(C(C(O5)C)OC)O)OC)OC)O)O)O,,"InChI=1S/C59H88N2O20/c1-15-17-19-27-39-58(8,9)53(80-56-45(67)50(74-13)49(35(7)76-56)79-57-51(75-14)44(66)48(73-12)34(6)77-57)52(68)59(71,81-39)36(16-2)54(69)60-29-23-22-25-32(4)46(72-11)33(5)47-43(65)42(64)38(78-47)26-21-18-20-24-31(3)41(63)40-37(62)28-30-61(10)55(40)70/h15,17-28,30,33-36,38-39,42-53,56-57,62,64-68,71H,16,29H2,1-14H3,(H,60,69)/b17-15+,20-18+,23-22+,26-21+,27-19+,31-24+,32-25+",ASOJLQIBBYOFDE-OUYMVFBDSA-N
BMGC_DG03129,BMG_DG082666,CCN=C1NC(=O)C(O1)C2=CC=CC=C2,N1=C(OC(C1=O)c2ccccc2)NCC,"InChI=1S/C11H12N2O2/c1-2-12-11-13-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,13,14)",RXOIEVSUURELPG-UHFFFAOYSA-N
BMGC_DG03130,BMG_DG082684,C#CCN(CC1=CC2=C(C=C1)N=C(NC2=O)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,,"InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1",LTKHPMDRMUCUEB-IBGZPJMESA-N
BMGC_DG03131,BMG_DG082698,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O,O=c1n(c2c([nH]1)c(=O)[nH]c(n2)N)[C@@H]3O[C@@H]([C@H](C3)O)CO,"InChI=1S/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,16-17H,1-2H2,(H,12,19)(H3,11,13,14,18)/t3-,4+,5+/m0/s1",HCAJQHYUCKICQH-VPENINKCSA-N
BMGC_DG03132,BMG_DG082736,CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)N3,,"InChI=1S/C44H37N8.4C7H8O3S/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;4*1-6-2-4-7(5-3-6)11(8,9)10/h5-28H,1-4H3,(H,45,46,47,48);4*2-5H,1H3,(H,8,9,10)/q+3;;;;/p-3",AKZFRMNXBLFDNN-UHFFFAOYSA-K
BMGC_DG03133,BMG_DG082748,C1C(NC2=C(N1)N=C(NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,c1(NCC2CNc3[nH]c(nc(c3N2)=O)N)ccc(cc1)C(N[C@@H](CCC(O)=O)C(O)=O)=O,"InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11?,12-/m0/s1",MSTNYGQPCMXVAQ-KIYNQFGBSA-N
BMGC_DG03134,BMG_DG082751,C1=NNC2=C1C(=S)N=CN2,c12c([nH]cnc1=S)[nH]nc2,"InChI=1S/C5H4N4S/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)",PYAOPMWCFSVFOT-UHFFFAOYSA-N
BMGC_DG03135,BMG_DG082762,CN1C=[N+](C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,,"InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1",OGHAROSJZRTIOK-KQYNXXCUSA-O
BMGC_DG03136,BMG_DG082805,C1=CC=C(C=C1)CNC(=O)C2=CC(=CN2)C3=C(C=NN3)C4=CC(=CC=C4)Cl,,"InChI=1S/C21H17ClN4O/c22-17-8-4-7-15(9-17)18-13-25-26-20(18)16-10-19(23-12-16)21(27)24-11-14-5-2-1-3-6-14/h1-10,12-13,23H,11H2,(H,24,27)(H,25,26)",PDJZASCRQRBYQS-UHFFFAOYSA-N
BMGC_DG03137,BMG_DG082807,COCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N=C(NC(=O)OC)NC(=O)OC,c1(c(N=C(NC(OC)=O)NC(OC)=O)ccc(c1)Sc2ccccc2)NC(COC)=O,"InChI=1S/C20H22N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h4-11H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27)",HMCCXLBXIJMERM-UHFFFAOYSA-N
BMGC_DG03138,BMG_DG082810,CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)N=NC3=CC=CC(=C3O)C4=CC(=CC=C4)C(=O)O)C,c1(N/N=C\2/C(=NN(C2=O)c3ccc(c(c3)C)C)C)cccc(c1O)-c4cccc(c4)C(=O)O,"InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)",SVOQIEJWJCQGDQ-UHFFFAOYSA-N;XDXWLKQMMKQXPV-QYQHSDTDSA-N
BMGC_DG03139,BMG_DG082811,CC1=CC=C(C=C1)CN2C(=O)NC(=N2)CCCC3=CC=C(C=C3)OC(C)(C)C(=O)O,c1(n(nc([nH]1)CCCc2ccc(OC(C(=O)O)(C)C)cc2)Cc3ccc(C)cc3)=O,"InChI=1S/C23H27N3O4/c1-16-7-9-18(10-8-16)15-26-22(29)24-20(25-26)6-4-5-17-11-13-19(14-12-17)30-23(2,3)21(27)28/h7-14H,4-6,15H2,1-3H3,(H,27,28)(H,24,25,29)",PNHFDVSKDSLUFH-UHFFFAOYSA-N
BMGC_DG03140,BMG_DG082821,C1[C@@H]([C@H](CN1CC2=CNC3=C2N=CNC3=O)O)CO,c1c(c2c([nH]1)c([nH]cn2)=O)CN3C[C@H](O)[C@@H](CO)C3,"InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m1/s1",AFNHHLILYQEHKK-BDAKNGLRSA-N
BMGC_DG03141,BMG_DG082828,C1C(NC2=C(N1)N=C(NC2=O)N)CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,O=c1c2c(NCC(CN(C=O)c3ccc(C(N[C@@H](CCC(O)=O)C(O)=O)=O)cc3)N2)[nH]c(N)n1,"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,23H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t11?,13-/m0/s1",AUFGTPPARQZWDO-YUZLPWPTSA-N
BMGC_DG03142,BMG_DG082876,CN(C)CCO/N=C(/C=C/C1=CC=C(C=C1)O)\C2=CC=CC=C2F,C(\C(\c1c(cccc1)F)=N\OCCN(C)C)=C/c2ccc(cc2)O,"InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3/b12-9+,21-19-",VAIOZOCLKVMIMN-PRJWTAEASA-N
BMGC_DG03143,BMG_DG082897,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,,"InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(23-24(19,20)21)5(17)3(1-16)22-9/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",WTIFIAZWCCBCGE-UUOKFMHZSA-N
BMGC_DG03144,BMG_DG082914,C1[C@@H]2[C@@H](C([C@H]3[C@@H](O2)NC4=C(N3)C(=O)NC(=N4)N)(O)O)OP(=O)(O1)O,O1P(O[C@]2([C@@](C1)(O[C@@]3([C@](C2(O)O)(Nc4c(N3)[nH]c(nc4=O)N)[H])[H])[H])[H])(O)=O,"InChI=1S/C10H14N5O8P/c11-9-14-6-3(7(16)15-9)12-4-8(13-6)22-2-1-21-24(19,20)23-5(2)10(4,17)18/h2,4-5,8,12,17-18H,1H2,(H,19,20)(H4,11,13,14,15,16)/t2-,4-,5+,8-/m1/s1",CZAKJJUNKNPTTO-AJFJRRQVSA-N
BMGC_DG03145,BMG_DG083031,CC1=NC2=C(N1CC3CCN(CC3)C(=O)/C=C(/C4=CC=CC=C4)\C5=CC=C(C=C5)N=NC6=CC(=C(C=C6)O)C(=O)O)C=CN=C2,c1c2c(ccn1)n(C[C@@H]3CCN(CC3)C(=O)/C=C(\c4ccc(cc4)/N=N/c5ccc(c(c5)C(O)=O)O)/c6ccccc6)c(n2)C,"InChI=1S/C35H32N6O4/c1-23-37-31-21-36-16-13-32(31)41(23)22-24-14-17-40(18-15-24)34(43)20-29(25-5-3-2-4-6-25)26-7-9-27(10-8-26)38-39-28-11-12-33(42)30(19-28)35(44)45/h2-13,16,19-21,24,42H,14-15,17-18,22H2,1H3,(H,44,45)/b29-20-,39-38?",AYEAMZDTWLXZIJ-JEFTWCRZSA-N;AYEAMZDTWLXZIJ-RKOUKRECSA-N
BMGC_DG03146,BMG_DG083042,C1[C@H](N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNc3c(c(=O)nc(N)[nH]3)N2C=O,"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13+/m1/s1",VVIAGPKUTFNRDU-OLZOCXBDSA-N
BMGC_DG03147,BMG_DG083051,C#CCN([C@H]1CCC2=CC3=C(C=C12)C(=O)NC(=N3)CO)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O,C([C@@H](CCC(=O)O)NC(CC[C@H](NC(c1ccc(cc1)N(CC#C)[C@H]2CCc3c2cc4c([nH]c(nc4c3)CO)=O)=O)C(=O)O)=O)(=O)O,"InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25+/m1/s1",NVHRBQOZEMFKLD-CUYJMHBOSA-N
BMGC_DG03148,BMG_DG083095,COC1=CC2=C(C=C1C(=O)NCC3CCCN3CC=C)NN=N2.Cl,,"InChI=1S/C16H21N5O2.ClH/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2;/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20);1H",BRECEDGYMYXGNF-UHFFFAOYSA-N
BMGC_DG03149,BMG_DG083099,CCCC1=CN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCCC)CC,C1N(CCN(C1)CCO)S(c2ccc(c(c2)-c3[nH]c(c4c(n3)c(cn4CC)CCC)=O)OCCC)(=O)=O,"InChI=1S/C26H37N5O5S/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32/h8-9,17-18,32H,4-7,10-16H2,1-3H3,(H,27,28,33)",MIJFNYMSCFYZNY-UHFFFAOYSA-N
BMGC_DG03150,BMG_DG083103,C1=NC2=C(N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,[C@@H]1([C@@H]([C@H](O[C@H]1n2cnc3c(=O)[nH]c(nc23)N)CO)O)O,"InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6+,9-/m1/s1",NYHBQMYGNKIUIF-FJFJXFQQSA-N
BMGC_DG03151,BMG_DG083111,C1CN(CCN1)C2=CC(=CC=C2)Cl,N1(c2cc(Cl)ccc2)CCNCC1,"InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2",VHFVKMTVMIZMIK-UHFFFAOYSA-N
BMGC_DG03152,BMG_DG083150,CC[C@H](C(=O)NC/C=C/C=C(\C)/[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)/C=C/C=C/C=C(\C)/C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)/C=C/C=C\C)(C)C)O)O)O,[C@@]1([C@@H]([C@@H](C([C@@H](O1)/C=C/C=C\C)(C)C)O)O)([C@@H](C(=O)NC/C=C/C=C(/[C@H]([C@H]([C@H]2[C@H]([C@H]([C@H](O2)/C=C/C=C/C=C(/C(=O)c3c(n(ccc3O)C)=O)\C)O)O)C)OC)\C)CC)O,"InChI=1S/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,47,49-52,55H,11,24H2,1-9H3,(H,45,53)/b12-10-,15-13+,18-17+,21-16+,22-14+,26-19+,27-20+/t28-,29-,31-,32+,35+,36+,37-,38+,39+,40-,44-/m1/s1",NTAHMPNXQOYXSX-WKSONYIQSA-N
BMGC_DG03153,BMG_DG083184,,c1(c(C)c2c(cc1)N=C3N(C(C(N3)=O)C)C2)Br,,IASFSCWLFJGXQL-UHFFFAOYSA-N
BMGC_DG03154,BMG_DG083191,C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)N=C2N)O)O)O,Nc1nc2c([nH]c(N)nc2n1[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO)=O,"InChI=1S/C10H14N6O5/c11-9-14-6-3(7(20)15-9)13-10(12)16(6)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H2,12,13)(H3,11,14,15,20)/t2-,4-,5-,8-/m1/s1",FNXPTCITVCRFRK-UMMCILCDSA-N
BMGC_DG03155,BMG_DG083260,CCC1=C2C(=NN1CCOC)C(=O)NC(=N2)C3=C(N=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC,[nH]1c(=O)c2nn(c(c2nc1-c3cc(cnc3OCC)S(N4CCN(CC4)CC)(=O)=O)CC)CCOC,"InChI=1S/C23H33N7O5S/c1-5-18-19-20(27-30(18)12-13-34-4)22(31)26-21(25-19)17-14-16(15-24-23(17)35-7-3)36(32,33)29-10-8-28(6-2)9-11-29/h14-15H,5-13H2,1-4H3,(H,25,26,31)",YPFZMBHKIVDSNR-UHFFFAOYSA-N
BMGC_DG03156,BMG_DG083279,CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C,o1nc(c(c1-c2c(cc(c(c2)C(C)C)O)O)-c3ccc(cc3)CN4CCOCC4)C(=O)NCC,"InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)",NDAZATDQFDPQBD-UHFFFAOYSA-N
BMGC_DG03157,BMG_DG083301,CC(C)[C@@H](C(=O)OCC[C@H](CN1C=NC2=C1N=C(NC2=O)N)CO)N,c12c(ncn1C[C@H](CO)CCOC([C@@H](N)C(C)C)=O)c(=O)nc([nH]2)N,"InChI=1S/C15H24N6O4/c1-8(2)10(16)14(24)25-4-3-9(6-22)5-21-7-18-11-12(21)19-15(17)20-13(11)23/h7-10,22H,3-6,16H2,1-2H3,(H3,17,19,20,23)/t9-,10+/m1/s1",ATSZELKUSAREPW-ZJUUUORDSA-N
BMGC_DG03158,BMG_DG083323,,,,
BMGC_DG03159,BMG_DG083402,,[C@H]12COP(O)(=O)O[C@H]3[C@@H](O)[C@@H](O[C@@H]3COP(O)(=O)O[C@@H]([C@@H](O1)n4cnc5c4[nH]c(N)nc5=O)[C@@H]2O)n6cnc7c(N)ncnc67,,XRILCFTWUCUKJR-INFSMZHSSA-N
BMGC_DG03160,BMG_DG083404,CC1=C(C=NN1)C2=CC3=C(S2)C(=O)NC(=N3)[C@@H]4CC5CCN4CC5,c12c([nH]c(nc1cc(s2)-c3c(n[nH]c3)C)[C@@H]4CC5CCN4CC5)=O,"InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1",XGVXKJKTISMIOW-ZDUSSCGKSA-N
BMGC_DG03161,BMG_DG083412,C[C@@H]1CN(C[C@H]1C2=NC3=C(C=NN3C4CCOCC4)C(=O)N2)CC5=NC=CC=N5,N1(C[C@H]([C@@H](C1)C)c2[nH]c(c3c(n2)n(nc3)C4CCOCC4)=O)Cc5ncccn5,"InChI=1S/C20H25N7O2/c1-13-10-26(12-17-21-5-2-6-22-17)11-16(13)18-24-19-15(20(28)25-18)9-23-27(19)14-3-7-29-8-4-14/h2,5-6,9,13-14,16H,3-4,7-8,10-12H2,1H3,(H,24,25,28)/t13-,16-/m1/s1",IWXUVYOOUMLUTQ-CZUORRHYSA-N
BMGC_DG03162,BMG_DG083420,,c1cc(CN2CCOCC2)cnc1-c3c([nH]c4c3cc(cc4)C#N)O,,BLTVBQXJFVRPFK-UHFFFAOYSA-N
BMGC_DG03163,BMG_DG083446,C1C[C@H](NC1)C2=NC3=C(C(=O)N2)OC4=C3C=C(C=C4)Cl,N1CCC[C@]1(c2nc3c4c(oc3c([nH]2)=O)ccc(c4)Cl)[H],"InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1",JJWLXRKVUJDJKG-VIFPVBQESA-N
BMGC_DG03164,BMG_DG083454,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=NC(=NC5=O)N)O,O=c1c2c([nH]c(n1)N)n(cn2)[C@@H]3O[C@@H]([C@H](C3)O)COP(O[C@@H]4[C@H](O[C@H](C4)n5c(nc(nc5)N)=O)CO)(=O)O,"InChI=1S/C18H24N9O10P/c19-16-22-6-27(18(31)25-16)12-2-8(9(3-28)35-12)37-38(32,33)34-4-10-7(29)1-11(36-10)26-5-21-13-14(26)23-17(20)24-15(13)30/h5-12,28-29H,1-4H2,(H,32,33)(H2,19,25,31)(H3,20,23,24,30)/t7-,8-,9+,10+,11+,12+/m0/s1",GUWXKKAWLCENJA-WGWHJZDNSA-N
BMGC_DG03165,BMG_DG083490,CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2,c1(cc2c(c(c1)OC)c([nH]c(n2)-c3cc(c(c(c3)C)OCCO)C)=O)OC,"InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)",NETXMUIMUZJUTB-UHFFFAOYSA-N
BMGC_DG03166,BMG_DG083525,C/C(=N\O)/C1=NC=C(N1)[C@H]([C@@H]([C@@H](CO)O)O)O,C(\C)(/c1ncc([nH]1)[C@H]([C@@H]([C@@H](CO)O)O)O)=N\O,"InChI=1S/C9H15N3O5/c1-4(12-17)9-10-2-5(11-9)7(15)8(16)6(14)3-13/h2,6-8,13-17H,3H2,1H3,(H,10,11)/b12-4+/t6-,7-,8-/m1/s1",AMXVYJYMZLDINS-RSWLNLDNSA-N
BMGC_DG03167,BMG_DG083546,C1=CC(=C(C=C1N=C(C2=NON=C2NCCNS(=O)(=O)N)NO)Br)F,C(\c1nonc1NCCNS(=O)(=O)N)(=N/O)/Nc2ccc(F)c(Br)c2,"InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)",FBKMWOJEPMPVTQ-UHFFFAOYSA-N
BMGC_DG03168,BMG_DG083569,C1=CC(=CC=C1C(=O)N(CCNC(=S)NC2=CC3=C(C=C2)C4(C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O)OC3=O)[C@@H](CCC(=O)N)C(=O)O)NCC7=CN=C8C(=N7)C(=O)NC(=N8)N,C([C@@H](N(CCNC(=S)Nc1cc2C(OC3(c2cc1)c4ccc(cc4Oc5cc(ccc53)O)O)=O)C(c6ccc(cc6)NCc7nc8c([nH]c(nc8nc7)N)=O)=O)CCC(=O)N)(=O)O,"InChI=1S/C42H36N10O10S/c43-33(55)12-11-30(38(58)59)52(37(57)20-1-3-21(4-2-20)46-18-23-19-47-35-34(48-23)36(56)51-40(44)50-35)14-13-45-41(63)49-22-5-8-27-26(15-22)39(60)62-42(27)28-9-6-24(53)16-31(28)61-32-17-25(54)7-10-29(32)42/h1-10,15-17,19,30,46,53-54H,11-14,18H2,(H2,43,55)(H,58,59)(H2,45,49,63)(H3,44,47,50,51,56)/t30-/m0/s1",ZMTAPBHUSYTHBY-PMERELPUSA-N
BMGC_DG03169,BMG_DG083578,CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)C)O)O,Oc1c(-c2n(-c3ccc4n(C)ccc4c3)c(O)nn2)cc(C(C)C)c(O)c1,"InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27)",RVAQIUULWULRNW-UHFFFAOYSA-N
BMGC_DG03170,BMG_DG083583,,C1(=O)c2c3c(c(cc(c3c4[C@H]5C(c6c7[C@@](c4c2O)([C@H]5OC(C)=O)COC(c7c(cc6C)O)=O)=O)C)O)C(O1)=O,,YVWDXSQBVLTUFA-NKLHJNDUSA-N
BMGC_DG03171,BMG_DG083586,CCOC(=O)NC(=N)C1=CC=C(C=C1)OCC2=CC(=CC=C2)COC3=CC=C(C=C3)C(C)(C)C4=CC=C(C=C4)O,C(OCC)(NC(c1ccc(cc1)OCc2cc(ccc2)COc3ccc(cc3)C(C)(C)c4ccc(cc4)O)=N)=O,"InChI=1S/C33H34N2O5/c1-4-38-32(37)35-31(34)25-8-16-29(17-9-25)39-21-23-6-5-7-24(20-23)22-40-30-18-12-27(13-19-30)33(2,3)26-10-14-28(36)15-11-26/h5-20,36H,4,21-22H2,1-3H3,(H2,34,35,37)",SBVYURPQULDJTI-UHFFFAOYSA-N
BMGC_DG03172,BMG_DG083600,C/C(=N\NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C)/C3=C(C=CC(=C3)Cl)O,c1cc(c(cc1Cl)/C(=N/NC(c2cc(ccc2)S(N3CCN(CC3)C)(=O)=O)=O)/C)O,"InChI=1S/C20H23ClN4O4S/c1-14(18-13-16(21)6-7-19(18)26)22-23-20(27)15-4-3-5-17(12-15)30(28,29)25-10-8-24(2)9-11-25/h3-7,12-13,26H,8-11H2,1-2H3,(H,23,27)/b22-14+",MVSQDUZRRVBYLA-HYARGMPZSA-N
BMGC_DG03173,BMG_DG083606,CC1(CC(CC(N1)(C)C)OC2=NN=C(C=C2)C3=C(C=C(C=C3)C4=CNN=C4)O)C,c1c(c(ccc1-c2cn[nH]c2)-c3ccc(nn3)OC4CC(NC(C4)(C)C)(C)C)O,"InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24)",STWTUEAWRAIWJG-UHFFFAOYSA-N
BMGC_DG03174,BMG_DG083623,CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F,c1([nH]nc2c3c(cc(cc13)F)N[C@@H]([C@H]2c4ncnn4C)c5ccc(cc5)F)=O,"InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1",HWGQMRYQVZSGDQ-HZPDHXFCSA-N
BMGC_DG03175,BMG_DG083654,C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=NC(=NO3)C4=CC(=C(C(=C4)Br)O)Br,Brc1cc(cc(c1O)Br)-c2nc(on2)C(NCc3ccc(cc3)Oc4ccccc4)=O,"InChI=1S/C22H15Br2N3O4/c23-17-10-14(11-18(24)19(17)28)20-26-22(31-27-20)21(29)25-12-13-6-8-16(9-7-13)30-15-4-2-1-3-5-15/h1-11,28H,12H2,(H,25,29)",DSFNLJXHXBIKDS-UHFFFAOYSA-N
BMGC_DG03176,BMG_DG083678,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C,C1CN(CCN1S(=O)(=O)c2ccc(c(c2)-c3[nH]c4c(c(n3)=O)n(nc4CCC)C)OCC)CC,"InChI=1S/C23H32N6O4S/c1-5-8-18-20-21(27(4)26-18)23(30)25-22(24-20)17-15-16(9-10-19(17)33-7-3)34(31,32)29-13-11-28(6-2)12-14-29/h9-10,15H,5-8,11-14H2,1-4H3,(H,24,25,30)",MJEXYQIZUOHDGY-UHFFFAOYSA-N
BMGC_DG03177,BMG_DG083693,C1CNC(=N[C@H]1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H]([C@@H](CCN)O)N)N,C(N/C=C\1/C(N[C@@]([C@@]2(NC(NCC2)=N)[H])(C(NC[C@@H](C(N[C@H](C(N[C@H](C(N1)=O)CO)=O)CO)=O)NC(C[C@H]([C@@H](CCN)O)N)=O)=O)[H])=O)(N)=O,"InChI=1S/C25H43N13O10/c26-3-1-16(41)10(27)5-17(42)33-12-6-31-23(47)18(11-2-4-30-24(28)37-11)38-20(44)13(7-32-25(29)48)34-21(45)14(8-39)36-22(46)15(9-40)35-19(12)43/h7,10-12,14-16,18,39-41H,1-6,8-9,26-27H2,(H,31,47)(H,33,42)(H,34,45)(H,35,43)(H,36,46)(H,38,44)(H3,28,30,37)(H3,29,32,48)/b13-7-/t10-,11-,12+,14+,15+,16-,18+/m1/s1",HPWIIERXAFODPP-GHBBWTPBSA-N
BMGC_DG03178,BMG_DG083702,COC1=C(C=CC(=C1)N2CCN(CC2)C(=O)CN3C4=C(C=CC=N4)C(=N3)C5=NC=CN5)Cl,c1ccc2c(n1)n(nc2-c3ncc[nH]3)CC(N4CCN(CC4)c5cc(c(cc5)Cl)OC)=O,"InChI=1S/C22H22ClN7O2/c1-32-18-13-15(4-5-17(18)23)28-9-11-29(12-10-28)19(31)14-30-22-16(3-2-6-26-22)20(27-30)21-24-7-8-25-21/h2-8,13H,9-12,14H2,1H3,(H,24,25)",ZIMLRKWQDLVPEK-UHFFFAOYSA-N
BMGC_DG03179,BMG_DG083743,CCC1=C(C2=CC3=C(C(=C([N-]3)C4=C5[C@]([C@@H](C(=N5)C=C6C(=C(C(=N6)C=C1[N-]2)C)CC)C)(C(=C4)C(=O)OCC)CC)C)CC)C.[Cl-].[Sn+4],,"InChI=1S/C37H43N4O2.ClH.Sn/c1-10-23-19(6)29-17-33-25(12-3)21(8)34(40-33)26-15-27(36(42)43-14-5)37(13-4)22(9)30(41-35(26)37)18-32-24(11-2)20(7)28(39-32)16-31(23)38-29;;/h15-18,22H,10-14H2,1-9H3,(H-,38,39,40,41,42);1H;/q-1;;+4/p-2/t22-,37-;;/m1../s1",DMAHZCZCPVOYGS-ZLSDMPCXSA-L
BMGC_DG03180,BMG_DG083765,CN1C=C(C=N1)C2=C3C=NNC(=O)C4=C3C(=CC(=C4)NC(=O)[C@@H](C5CCCCC5)N)N2,c1c2c3c(cc1NC([C@@H](C4CCCCC4)N)=O)[nH]c(c3C=NNC2=O)-c5cn(nc5)C,"InChI=1S/C22H25N7O2/c1-29-11-13(9-25-29)20-16-10-24-28-21(30)15-7-14(8-17(27-20)18(15)16)26-22(31)19(23)12-5-3-2-4-6-12/h7-12,19,27H,2-6,23H2,1H3,(H,26,31)(H,28,30)/t19-/m1/s1",NDEXUOWTGYUVGA-LJQANCHMSA-N
BMGC_DG03181,BMG_DG083782,COC1=C(C=CC2=C3NCCN3C(=NC(=O)C4=CN=C(N=C4)N)N=C21)OCCCN5CCOCC5,c1(cnc(N)nc1)C(=O)NC=2N3CCN=C3c4c(c(c(cc4)OCCCN5CCOCC5)OC)N2,"InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14,25H,2,5-12H2,1H3,(H2,24,26,27)",PZBCKZWLPGJMAO-UHFFFAOYSA-N;MWYDSXOGIBMAET-UHFFFAOYSA-N
BMGC_DG03182,BMG_DG083792,CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=C(N4CCCCS(=O)(=O)O)C=CC(=C5)S(=O)(=O)O)(C)C)/CCC3)OC6=CC=C(C=C6)C[C@@H](C(=O)O)NC(=O)C7=CC=C(C=C7)NCC8=CN=C9C(=N8)C(=O)NC(=N9)N)CCCCS(=O)(=O)O)C,[nH]1c(c2c(nc1N)ncc(n2)CNc3ccc(cc3)C(N[C@@H](Cc4ccc(cc4)OC=5C(/CCCC5/C=C/C=6C(c7c([N+]6CCCCS(=O)([O-])=O)ccc(c7)S(=O)(=O)[O-])(C)C)=C/C=C/8\C(c9c(N8CCCCS(=O)([O-])=O)ccc(c9)S(=O)(=O)[O-])(C)C)C(=O)[O-])=O)=O.[H+].[H+].[H+].[H+],"InChI=1S/C61H67N9O17S4/c1-60(2)46-33-44(90(81,82)83)22-24-49(46)69(28-5-7-30-88(75,76)77)51(60)26-16-38-10-9-11-39(17-27-52-61(3,4)47-34-45(91(84,85)86)23-25-50(47)70(52)29-6-8-31-89(78,79)80)54(38)87-43-20-12-37(13-21-43)32-48(58(73)74)66-56(71)40-14-18-41(19-15-40)63-35-42-36-64-55-53(65-42)57(72)68-59(62)67-55/h12-27,33-34,36,48H,5-11,28-32,35H2,1-4H3,(H9-,62,63,64,66,67,68,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86)/t48-/m0/s1",PDXNSXLPXJFETD-DYVQZXGMSA-N
BMGC_DG03183,BMG_DG083800,CC1=CC=C(C=C1)S(=O)(=O)O.CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F,c1cc(ccc1C)S(=O)(=O)O.c1(=O)c2c3c(N[C@H](c4ccc(F)cc4)[C@@H](c5n(C)ncn5)c3n[nH]1)cc(F)c2,"InChI=1S/C19H14F2N6O.C7H8O3S/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28;1-6-2-4-7(5-3-6)11(8,9)10/h2-8,15-16,24H,1H3,(H,26,28);2-5H,1H3,(H,8,9,10)/t15-,16-;/m1./s1",QUQKKHBYEFLEHK-QNBGGDODSA-N
BMGC_DG03184,BMG_DG083810,C[C@@]1(CSC(=N1)C2=C(C(=CC=C2)OCCOCCOCCOC)O)C(=O)O,OC(=O)[C@@]1(C)CSC(=N1)c2cccc(OCCOCCOCCOC)c2O,"InChI=1S/C18H25NO7S/c1-18(17(21)22)12-27-16(19-18)13-4-3-5-14(15(13)20)26-11-10-25-9-8-24-7-6-23-2/h3-5,20H,6-12H2,1-2H3,(H,21,22)/t18-/m1/s1",AWHIMFSHNAAMBM-GOSISDBHSA-N
BMGC_DG03185,BMG_DG083812,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,c1(ccc(NCc2n(c3c(n2)cc(cc3)C(=O)N(c4ncccc4)CCC(=O)OCC)C)cc1)C(=N)NC(=O)OCCCCCC,"InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)",KSGXQBZTULBEEQ-UHFFFAOYSA-N
BMGC_DG03186,BMG_DG083827,CC(C)CC(=O)NC1=CN=CC(=C1)C2=CC3=C(C=C2)NN=C3C4=NC5=C(N4)C=NC=C5C6=CC(=CC=C6)F,C(CC(C)C)(=O)Nc1cncc(c1)-c2cc3c(n[nH]c3cc2)-c4[nH]c5cncc(c5n4)-c6cc(ccc6)F,"InChI=1S/C29H24FN7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)",AQDWDWAYVBQMAM-UHFFFAOYSA-N
BMGC_DG03187,BMG_DG083880,C=CC(=O)N1CCC(CC1)[C@@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N,C(N)(=O)c1c2n([C@@H](CCN2)C3CCN(C(C=C)=O)CC3)nc1-c4ccc(Oc5ccccc5)cc4,"InChI=1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)/t22-/m0/s1",RNOAOAWBMHREKO-QFIPXVFZSA-N
BMGC_DG03188,BMG_DG083884,CC1=C(C(=[N+](C(=C1Cl)C)[O-])Cl)C2=NOC(=N2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-],[O-][n+]1c(C)c(Cl)c(C)c(-c2nc(-c3cc([N+]([O-])=O)c(O)c(O)c3)on2)c1Cl,"InChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3",ASOADIZOVZTJSR-UHFFFAOYSA-N
BMGC_DG03189,BMG_DG083888,C[C@H]1CNC(=O)C2=C3N=C(C=CN3N=C2)N[C@@H](C4=C(O1)C=CC(=C4)F)C,c1(ccc2c(c1)[C@H](Nc3ccn4ncc(C(NC[C@@H](O2)C)=O)c4n3)C)F,"InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1",FIKPXCOQUIZNHB-WDEREUQCSA-N
BMGC_DG03190,BMG_DG083893,CS(=O)(=O)NC1=CC2=C(C=C1)NC(=NS2(=O)=O)C3=C([C@@H]4[C@H]5CC[C@H](C5)[C@@H]4N(C3=O)CC6=CC=C(C=C6)F)O,C(N1[C@@]2([C@@]([C@@H]3C[C@H]2CC3)(C(=C(C1=O)C=4Nc5c(S(N4)(=O)=O)cc(cc5)NS(C)(=O)=O)O)[H])[H])c6ccc(cc6)F,"InChI=1S/C25H25FN4O6S2/c1-37(33,34)28-17-8-9-18-19(11-17)38(35,36)29-24(27-18)21-23(31)20-14-4-5-15(10-14)22(20)30(25(21)32)12-13-2-6-16(26)7-3-13/h2-3,6-9,11,14-15,20,22,28,31H,4-5,10,12H2,1H3,(H,27,29)/t14-,15+,20+,22-/m0/s1",DEKOYVOWOVJMPM-RLHIPHHXSA-N
BMGC_DG03191,BMG_DG083905,CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)C)O)OP(=O)(O)O,P(=O)(O)(O)Oc1c(cc(c(c1)O)-c2n[nH]c(n2-c3cc4ccn(c4cc3)C)=O)C(C)C,"InChI=1S/C20H21N4O6P/c1-11(2)14-9-15(17(25)10-18(14)30-31(27,28)29)19-21-22-20(26)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25H,1-3H3,(H,22,26)(H2,27,28,29)",JNWFIPVDEINBAI-UHFFFAOYSA-N
BMGC_DG03192,BMG_DG083972,,C(C)c1c(-c2cc3c(c(n[nH]3)-c4[nH]c5c(n4)cccc5)cc2)ccc(O)c1,,CSLGOZXFBHTYAA-UHFFFAOYSA-N
BMGC_DG03193,BMG_DG083997,CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O,[C@]1(O)(CC[C@]2([C@@]3(CCC4=CC(CCC4=C3[C@]([H])(C[C@@]21C)c5ccc(cc5)N(C)C)=O)[H])[H])C(C)=O,"InChI=1S/C28H35NO3/c1-17(30)28(32)14-13-25-23-11-7-19-15-21(31)10-12-22(19)26(23)24(16-27(25,28)2)18-5-8-20(9-6-18)29(3)4/h5-6,8-9,15,23-25,32H,7,10-14,16H2,1-4H3/t23-,24+,25-,27-,28-/m0/s1",HKDLNTKNLJPAIY-WKWWZUSTSA-N
BMGC_DG03194,BMG_DG084065,CN\1CC(=O)N/C1=N/C(=O)NC2=CC(=CC=C2)Cl,,"InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)",DWPQODZAOSWNHB-UHFFFAOYSA-N
BMGC_DG03195,BMG_DG084070,,c12c(c(=O)n(c(n1CC)=O)CC)n(C)c(n2)/C=C/c3cc(OC)c(cc3)O,,OHGCYFOMTIEDMR-CSKARUKUSA-N
BMGC_DG03196,BMG_DG084099,,c1ccc(OCCn2ccnc2)cc1,,INUSBZKZIYQSRM-UHFFFAOYSA-N
BMGC_DG03197,BMG_DG084100,,NC(=O)c1ccc(OCCn2ccnc2)cc1,,DVALIYTWWUIPGC-UHFFFAOYSA-N
BMGC_DG03198,BMG_DG084134,CC1=CC(=C(C=C1OC)CCN)OC,c1(c(cc(c(c1)OC)C)OC)CCN,"InChI=1S/C11H17NO2/c1-8-6-11(14-3)9(4-5-12)7-10(8)13-2/h6-7H,4-5,12H2,1-3H3",UNQQFDCVEMVQHM-UHFFFAOYSA-N
BMGC_DG03199,BMG_DG084165,,c1c(ccc2cc(ccc12)C(=O)O)-c3cc4C(CCC(c4cc3)(C)C)(C)C,,UHFICAKXFHFOCN-UHFFFAOYSA-N
BMGC_DG03200,BMG_DG084240,CCCCCCCCCCCCN,NCCCCCCCCCCCC,"InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3",JRBPAEWTRLWTQC-UHFFFAOYSA-N
BMGC_DG03201,BMG_DG084367,C1COCCC1N2C3=C(C=N2)C(=O)NC(=N3)CC4=CC=CC=N4,c1([nH]c(c2c(n1)n(nc2)C3CCOCC3)=O)Cc4ncccc4,"InChI=1S/C16H17N5O2/c22-16-13-10-18-21(12-4-7-23-8-5-12)15(13)19-14(20-16)9-11-3-1-2-6-17-11/h1-3,6,10,12H,4-5,7-9H2,(H,19,20,22)",BZTIJCSHNVZMES-UHFFFAOYSA-N
BMGC_DG03202,BMG_DG084499,,Nc1nc2c(ncn2[C@@H]3O[C@@H](CO[P@](O)(=O)OP(O)(O)=O)[C@H](O)[C@H]3O)c(=O)[nH]1,,QGWNDRXFNXRZMB-BZKDHIKHSA-N
BMGC_DG03203,BMG_DG084506,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)[S-])[S-])OP(=O)(O)O.O=[Mo+2]=O,S1C=2[C@]3([C@](O[C@@H](C2S[Mo]1(=O)=O)COP(O)(O)=O)([H])Nc4c(N3)c(=O)nc([nH]4)N)[H],"InChI=1S/C10H14N5O6PS2.Mo.2O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;;/q;+2;;/p-2/t2-,3+,9-;;;/m1.../s1",HDAJUGGARUFROU-JSUDGWJLSA-L
BMGC_DG03204,BMG_DG084529,,Clc1c(cc(C(=O)N[C@H](CCC(=O)O)C(N(CCCCC)CCCCC)=O)cc1)Cl,,IEKOTSCYBBDIJC-LJQANCHMSA-N
BMGC_DG03205,BMG_DG084584,,c1(c(c[nH]c([nH]1)=O)N)=O,,BISHACNKZIBDFM-UHFFFAOYSA-N
BMGC_DG03206,BMG_DG084587,C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)N=C(NC3=O)N,,"InChI=1S/C20H19N5O8S/c21-20-23-14-6-3-11(9-13(14)18(29)24-20)25-34(32,33)12-4-1-10(2-5-12)17(28)22-15(19(30)31)7-8-16(26)27/h1-6,9,15,25H,7-8H2,(H,22,28)(H,26,27)(H,30,31)(H3,21,23,24,29)/t15-/m0/s1",ILTMHHAQXFNQFZ-HNNXBMFYSA-N
BMGC_DG03207,BMG_DG084595,C1[C@H](N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)O,,"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m1/s1",VVIAGPKUTFNRDU-CHWSQXEVSA-N
BMGC_DG03208,BMG_DG084686,CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.[Ca],,"InChI=1S/C20H25N7O6.Ca/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31);/t12?,13-;/m0./s1",BGJXXVMOQCHQBO-ZEDZUCNESA-N
BMGC_DG03209,BMG_DG084701,C1=CC=C2C(=C1)NC(=N2)N,c12c(nc([nH]1)N)cccc2,"InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)",JWYUFVNJZUSCSM-UHFFFAOYSA-N
BMGC_DG03210,BMG_DG084720,C1=CC=C2C(=C1)NC(=O)S2,c12c(sc([nH]1)=O)cccc2,"InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)",YEDUAINPPJYDJZ-UHFFFAOYSA-N
BMGC_DG03211,BMG_DG084772,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C[C@H](CC[C@]34C)O,[C@@H]1(CC[C@@]2([C@]3(CC[C@@]4([C@H](CC[C@]4([C@@]3(CCC2=C1)[H])[H])O)C)[H])C)O,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1",BTTWKVFKBPAFDK-LOVVWNRFSA-N
BMGC_DG03212,BMG_DG084832,CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=NNC(=C4)CCC5=CC(=CC(=C5)OC)OC,,"InChI=1S/C25H30N6O2/c1-30-8-10-31(11-9-30)19-6-7-22-23(15-19)27-25(26-22)24-14-18(28-29-24)5-4-17-12-20(32-2)16-21(13-17)33-3/h6-7,12-16H,4-5,8-11H2,1-3H3,(H,26,27)(H,28,29)",QHCGPJPIPKDWAT-UHFFFAOYSA-N
BMGC_DG03213,BMG_DG084833,,c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OC,,IRMNIXXVOOMKKP-UHFFFAOYSA-N
BMGC_DG03214,BMG_DG084846,,c1c(c(c2c(o1)cc(cc2)OC)=O)-c3ccc(cc3)OC,,LPNBCGIVZXHHHO-UHFFFAOYSA-N
BMGC_DG03215,BMG_DG084879,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O,,"InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2",LKZDFKLGDGSGEO-UHFFFAOYSA-N
BMGC_DG03216,BMG_DG084891,C1=CC=C2C(=C1)C=C(C(=O)O2)O,c12c(oc(=O)c(c1)O)cccc2,"InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H",MJKVTPMWOKAVMS-UHFFFAOYSA-N
BMGC_DG03217,BMG_DG084905,,c12c(ccc(c1)CC)cccc2,,RJTJVVYSTUQWNI-UHFFFAOYSA-N
BMGC_DG03218,BMG_DG084925,,c1(cc(ccc1Cl)C#N)[N+](=O)[O-],,XBLPHYSLHRGMNW-UHFFFAOYSA-N
BMGC_DG03219,BMG_DG084946,CCOC(=O)C1=C(OC(=C1O)/C=C/2\C=NC3=C2C=CC=N3)NN4CCN(CC4)CC(F)(F)F,O\1C(=C(C(/C1=C/c2c[nH]c3c2cccn3)=O)C(=O)OCC)NN4CCN(CC4)CC(F)(F)F,"InChI=1S/C21H22F3N5O4/c1-2-32-20(31)16-17(30)15(10-13-11-26-18-14(13)4-3-5-25-18)33-19(16)27-29-8-6-28(7-9-29)12-21(22,23)24/h3-5,10-11,27,30H,2,6-9,12H2,1H3/b13-10+",DNTVXDZWVOVLOD-GDNBJRDFSA-N;HFBNZZVVRMLDJO-JLHYYAGUSA-N
BMGC_DG03220,BMG_DG084948,,N1(c2ccccc2)C(C=CC1=O)=O,,HIDBROSJWZYGSZ-UHFFFAOYSA-N
BMGC_DG03221,BMG_DG084991,,n1n(c2ccccc2n1)N,,JCXKHYLLVKZPKE-UHFFFAOYSA-N
BMGC_DG03222,BMG_DG084999,,N(CCC)(CCC)C1Cc2c(nc(N)s2)CC1,,ABRFKTAFRQVZBR-UHFFFAOYSA-N
BMGC_DG03223,BMG_DG085010,C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=C(N4)C=C(C=C5)O,,"InChI=1S/C18H13N3O2/c22-10-5-6-11-12-7-8-21-17(16(12)19-15(11)9-10)20-14-4-2-1-3-13(14)18(21)23/h1-6,9,19,22H,7-8H2",LZNDAOKPOOIXKH-UHFFFAOYSA-N
BMGC_DG03224,BMG_DG085070,,C(#CC)C=O,,REJPDMLLCDXIOV-UHFFFAOYSA-N
BMGC_DG03225,BMG_DG085076,,n12c(cnc1)CCC[C@H]2c3ccc(cc3)C#N,,CLPFFLWZZBQMAO-AWEZNQCLSA-N
BMGC_DG03226,BMG_DG085082,,c1ccc2c(c(S(=O)(O)=O)ccc2)c1Nc3ccccc3,,FWEOQOXTVHGIFQ-UHFFFAOYSA-N
BMGC_DG03227,BMG_DG085130,C1CC1CN2C=CC(=N2)C3=C(C(=O)N[C@@](C3)(C4=C(C=C(C=C4)OCCCC(F)(F)F)F)C(F)(F)F)N5C(=O)NN=N5,C(F)(F)(F)[C@]1(CC(=C(C(N1)=O)n2nn[nH]c2=O)c3nn(cc3)CC4CC4)c5c(F)cc(cc5)OCCCC(F)(F)F,"InChI=1S/C24H22F7N7O3/c25-17-10-14(41-9-1-7-23(26,27)28)4-5-16(17)22(24(29,30)31)11-15(18-6-8-37(34-18)12-13-2-3-13)19(20(39)32-22)38-21(40)33-35-36-38/h4-6,8,10,13H,1-3,7,9,11-12H2,(H,32,39)(H,33,36,40)/t22-/m0/s1",VFFPVFKSCNJAMO-QFIPXVFZSA-N
BMGC_DG03228,BMG_DG085137,C(CC(=O)O)C(=O)CN,C(O)(CCC(=O)CN)=O,"InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)",ZGXJTSGNIOSYLO-UHFFFAOYSA-N
BMGC_DG03229,BMG_DG085163,,O=C(Nc1ccccc1C(=O)O)c2ccc3ccccc3c2,,BBJZKXXWFJLNRR-UHFFFAOYSA-N
BMGC_DG03230,BMG_DG085166,,P(Oc1ccc([N+](=O)[O-])cc1)(OC)(OC)=O,,BAFQDKPJKOLXFZ-UHFFFAOYSA-N
BMGC_DG03231,BMG_DG085186,CCOCC1=C(C(=C(C(=O)N1)C2=NN=C(O2)CC3=NC=C(C=C3)Cl)O)C4=C(C=CC=C4OC)OC,c1(c(c(c(c(n1)COCC)-c2c(cccc2OC)OC)O)-c3oc(nn3)Cc4ccc(cn4)Cl)O,"InChI=1S/C24H23ClN4O6/c1-4-34-12-15-19(20-16(32-2)6-5-7-17(20)33-3)22(30)21(23(31)27-15)24-29-28-18(35-24)10-14-9-8-13(25)11-26-14/h5-9,11H,4,10,12H2,1-3H3,(H2,27,30,31)",AGZKELPIAJYRDT-UHFFFAOYSA-N
BMGC_DG03232,BMG_DG085194,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O,n1(c(nc(cc1)N)=O)[C@@H]2O[C@H](CO)[C@H](C2)O,"InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1",CKTSBUTUHBMZGZ-SHYZEUOFSA-N
BMGC_DG03233,BMG_DG085197,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,n1(c([nH]c(cc1)=O)=O)[C@@H]2O[C@H](CO)[C@H](C2)O,"InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1",MXHRCPNRJAMMIM-SHYZEUOFSA-N
BMGC_DG03234,BMG_DG085211,C1=CC(=NC(=C1O)C2=NC(=NC=C2)N)C3=NC(=NC=C3)N,Oc1c(nc(cc1)-c2nc(N)ncc2)-c3nc(N)ncc3,"InChI=1S/C13H11N7O/c14-12-16-5-3-8(19-12)7-1-2-10(21)11(18-7)9-4-6-17-13(15)20-9/h1-6,21H,(H2,14,16,19)(H2,15,17,20)",VFVAQKKPFOPZEA-UHFFFAOYSA-N
BMGC_DG03235,BMG_DG085250,CCNC(=O)C1(CC1CN)C2=CC=CC=C2,,"InChI=1S/C13H18N2O/c1-2-15-12(16)13(8-11(13)9-14)10-6-4-3-5-7-10/h3-7,11H,2,8-9,14H2,1H3,(H,15,16)",UVKUMJGXPDEXSQ-UHFFFAOYSA-N
BMGC_DG03236,BMG_DG085259,,COc1cc2c(cc1)n(c(c2CC(O)=O)C)Cc3ccccc3,,ZEKCBTQHDTUHRJ-UHFFFAOYSA-N
BMGC_DG03237,BMG_DG085287,,O=c1[nH]c2cc3ccccc3cc2[nH]1,,HUOPXZLFTBYAML-UHFFFAOYSA-N
BMGC_DG03238,BMG_DG085311,C[C@H]1CN(CCN1C2=NC(=O)N(C3=NC(=C(C=C32)F)C4=C(C=CC=C4F)O)C5=C(C=CN=C5C(C)C)C)C(=O)C=C,c1c(c(nc2c1c(nc(n2-c3c(ccnc3C(C)C)C)=O)N4[C@H](CN(CC4)C(C=C)=O)C)-c5c(cccc5O)F)F,"InChI=1S/C30H30F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1",NXQKSXLFSAEQCZ-SFHVURJKSA-N
BMGC_DG03239,BMG_DG085324,,N1c2c(cc(cc2)-c3cnccc3)CCC1=O,,MPGBYGNPFRLHAO-UHFFFAOYSA-N
BMGC_DG03240,BMG_DG085333,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O,n1(c2c(c(ncn2)N)nc1)[C@@H]3O[C@H](CO)[C@H](C3)O,"InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1",OLXZPDWKRNYJJZ-RRKCRQDMSA-N
BMGC_DG03241,BMG_DG085345,CN1CC(=O)NC1=N,,"InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)",DDRJAANPRJIHGJ-UHFFFAOYSA-N
BMGC_DG03242,BMG_DG085487,CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+2/p-2",AGVAZMGAQJOSFJ-UHFFFAOYSA-L
BMGC_DG03243,BMG_DG085488,CC1=CC(=CC=C1)S(=O)(=O)NC2=C(N=CC(=C2)C3=C(N=C(S3)NC(=O)[C@H](C(C)C)N)C)Cl,,"InChI=1S/C21H24ClN5O3S2/c1-11(2)17(23)20(28)26-21-25-13(4)18(31-21)14-9-16(19(22)24-10-14)27-32(29,30)15-7-5-6-12(3)8-15/h5-11,17,27H,23H2,1-4H3,(H,25,26,28)/t17-/m0/s1",PIBKKQFQADCDAW-KRWDZBQOSA-N
BMGC_DG03244,BMG_DG085559,CC1(N=C(N=C(N1C2=CC=C(C=C2)CSC3=CC=CC=C3)N)N)C,,"InChI=1S/C18H21N5S/c1-18(2)22-16(19)21-17(20)23(18)14-10-8-13(9-11-14)12-24-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H4,19,20,21,22)",OBTLMBWEMHGRBX-UHFFFAOYSA-N
BMGC_DG03245,BMG_DG085569,C[C@H]1CN(C[C@H](N1)C2=C(C3=C(C=C2)C(=O)OC3)C)CC4=NN(N=C4)C5=NC=C(C(=C5)C)C#N,,"InChI=1S/C24H25N7O2/c1-14-6-23(26-8-17(14)7-25)31-27-9-18(29-31)11-30-10-15(2)28-22(12-30)19-4-5-20-21(16(19)3)13-33-24(20)32/h4-6,8-9,15,22,28H,10-13H2,1-3H3/t15-,22-/m0/s1",NRCYDDLRPFXMNA-NYHFZMIOSA-N
BMGC_DG03246,BMG_DG085575,C1CC2(C1)CCC(=C(C2)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C5=CC(=C(C=C5)C(=O)NS(=O)(=O)C6=CC(=C(C=C6)NC[C@H]7COCCO7)[N+](=O)[O-])OC8=CN=C9C(=C8)C=CN9,C(c1c(cc(cc1)N2CCN(CC2)CC3=C(CC4(CCC4)CC3)c5ccc(cc5)Cl)Oc6cc7c(nc6)[nH]cc7)(=O)NS(=O)(=O)c8cc(c(cc8)NC[C@@H]9OCCOC9)[N+](=O)[O-],"InChI=1S/C45H48ClN7O8S/c46-33-4-2-30(3-5-33)39-25-45(12-1-13-45)14-10-32(39)28-51-16-18-52(19-17-51)34-6-8-38(42(23-34)61-35-22-31-11-15-47-43(31)49-26-35)44(54)50-62(57,58)37-7-9-40(41(24-37)53(55)56)48-27-36-29-59-20-21-60-36/h2-9,11,15,22-24,26,36,48H,1,10,12-14,16-21,25,27-29H2,(H,47,49)(H,50,54)/t36-/m0/s1",FNBXDBIYRAPDPI-BHVANESWSA-N
BMGC_DG03247,BMG_DG085581,CC(=O)N1CCC2=C(C1)N=C(C(=N2)N3CCC(CC3)OC4=C(C=C(C=C4)F)F)N[C@@H]5CCOC5,[C@@H]1(Nc2c(N3CCC(CC3)Oc4ccc(cc4F)F)nc5c(CN(CC5)C(C)=O)n2)CCOC1,"InChI=1S/C24H29F2N5O3/c1-15(32)31-10-6-20-21(13-31)28-23(27-17-7-11-33-14-17)24(29-20)30-8-4-18(5-9-30)34-22-3-2-16(25)12-19(22)26/h2-3,12,17-18H,4-11,13-14H2,1H3,(H,27,28)/t17-/m1/s1",HSWVJQBEXRKOBZ-QGZVFWFLSA-N
BMGC_DG03248,BMG_DG085584,,n1c(cn(-c2cc(c(c(c2)OC)OC)OC)c1)Nc3nc(nc4c3ccs4)N5CCC[C@H]5C(N)=O,,PXXZTNQODJJFFP-HNNXBMFYSA-N
BMGC_DG03249,BMG_DG085599,C1C(C(C(C(N1)CO)O)O)O,,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2",LXBIFEVIBLOUGU-UHFFFAOYSA-N
BMGC_DG03250,BMG_DG085606,,S(=O)(=O)(c1c2c(ccc1)cncc2)N3CCC([C@H](C)N)CC3,,MGLIYKZFLDTAMW-LBPRGKRZSA-N
BMGC_DG03251,BMG_DG085609,,C(=O)(c1c(ccc(c1)C)-n2nccn2)N3[C@H](Cn4nc(cc4)-c5ccc(cn5)F)OCCC3,,AEZZJXJIJFSUEM-QFIPXVFZSA-N
BMGC_DG03252,BMG_DG085618,CCC1=CC2=C(C(=C(N=C2C(=C1)F)N3CCC(CC3)NC4CCOCC4)C5=NC(=NO5)C)C,C(C)c1cc(c2c(c1)c(c(c(N3CCC(CC3)NC4CCOCC4)n2)-c5onc(C)n5)C)F,"InChI=1S/C25H32FN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3",CQOJHAJWCDJEAT-UHFFFAOYSA-N
BMGC_DG03253,BMG_DG085624,CNC1=CC(=NC2=C(C=NN12)C(=O)N[C@@H]3CC[C@H]3OC)NC4=CC=CN(C4=O)C5=CC=CC=N5,C(N[C@H]1[C@H](OC)CC1)(=O)c2c3n(nc2)c(NC)cc(n3)Nc4c(=O)n(ccc4)-c5ccccn5,"InChI=1S/C23H24N8O3/c1-24-20-12-18(27-16-6-5-11-30(23(16)33)19-7-3-4-10-25-19)29-21-14(13-26-31(20)21)22(32)28-15-8-9-17(15)34-2/h3-7,10-13,15,17,24H,8-9H2,1-2H3,(H,27,29)(H,28,32)/t15-,17-/m1/s1",BWINBHTTZLVXGT-NVXWUHKLSA-N
BMGC_DG03254,BMG_DG085629,CCN1CC2=C(C=CC(=C2C#N)F)O[C@H](CNC(=O)C3=C4N=C1C=CN4N=C3N)C,c12N(Cc3c(c(F)ccc3O[C@H](CNC(c4c(N)nn(c4n1)cc2)=O)C)C#N)CC,"InChI=1S/C20H20FN7O2/c1-3-27-10-13-12(8-22)14(21)4-5-15(13)30-11(2)9-24-20(29)17-18(23)26-28-7-6-16(27)25-19(17)28/h4-7,11H,3,9-10H2,1-2H3,(H2,23,26)(H,24,29)/t11-/m0/s1",UUDPUQDMSHQSKH-NSHDSACASA-N
BMGC_DG03255,BMG_DG085635,C[C@H]1C(=NNC(=O)O1)C2=CC(=C(C=C2)C3=CC=C(C=C3)F)C(F)(F)F,O1[C@@H](C)C(c2cc(C(F)(F)F)c(-c3ccc(F)cc3)cc2)=NNC1=O,"InChI=1S/C17H12F4N2O2/c1-9-15(22-23-16(24)25-9)11-4-7-13(14(8-11)17(19,20)21)10-2-5-12(18)6-3-10/h2-9H,1H3,(H,23,24)/t9-/m0/s1",JNTJTCXFIXNXDV-VIFPVBQESA-N
BMGC_DG03256,BMG_DG085636,,N(C(O[C@H](Cc1ncccn1)C(O)=O)=O)c2c3c(cc4c2CCC4)CCC3,,OYXWZQHGHRELLY-MRXNPFEDSA-N
BMGC_DG03257,BMG_DG085648,CCN(CC1=NC2=C(N1)C(=NC3=C2C=CC(=C3)C4=CC=NN4)N)C(=O)C,n1c2c(c3c(c1N)nc([nH]3)CN(C(=O)C)CC)ccc(c2)-c4n[nH]cc4,"InChI=1S/C18H19N7O/c1-3-25(10(2)26)9-15-22-16-12-5-4-11(13-6-7-20-24-13)8-14(12)21-18(19)17(16)23-15/h4-8H,3,9H2,1-2H3,(H2,19,21)(H,20,24)(H,22,23)",UHNRLQRZRNKOKU-UHFFFAOYSA-N
BMGC_DG03258,BMG_DG085661,CC1=C2C(=C(C(=C1Cl)O[C@@H](COC3=CC(=C(C=C3)OCC4=NC(=NC=C4)C5=CC=C(C=C5)OC[C@H]6COCCO6)C[C@@H](OC7=C8C2=C(SC8=NC=N7)C9=CC=C(C=C9)F)C(=O)O)CN1CCN(CC1)C)Cl)C,n1c2c3c(nc1)O[C@@H](C(=O)O)Cc4c(OCc5nc(-c6ccc(OC[C@H]7COCCO7)cc6)ncc5)ccc(c4)OC[C@H](Oc8c(Cl)c(C)c(-c3c(s2)-c9ccc(F)cc9)c(C)c8Cl)CN%10CCN(C)CC%10,"InChI=1S/C53H51Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-18-16-61(3)17-19-62)27-68-38-12-13-41(69-25-36-14-15-57-50(60-36)33-6-10-37(11-7-33)67-28-40-26-65-20-21-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-4-8-35(56)9-5-32/h4-15,22,29,39-40,42H,16-21,23-28H2,1-3H3,(H,63,64)/t39-,40-,42-/m1/s1",BOMNURVTAHAEBQ-KWIIHVIGSA-N
BMGC_DG03259,BMG_DG085662,CC1=C2C(=C(C(=C1Cl)O[C@@H](COC3=CC(=C(C=C3)OCC4=NC(=NC=C4)C5=CC=C(C=C5)OC[C@@H]6COCCO6)C[C@@H](OC7=C8C2=C(SC8=NC=N7)C9=CC=C(C=C9)F)C(=O)O)CN1CCN(CC1)C)Cl)C,,"InChI=1S/C53H51Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-18-16-61(3)17-19-62)27-68-38-12-13-41(69-25-36-14-15-57-50(60-36)33-6-10-37(11-7-33)67-28-40-26-65-20-21-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-4-8-35(56)9-5-32/h4-15,22,29,39-40,42H,16-21,23-28H2,1-3H3,(H,63,64)/t39-,40+,42-/m1/s1",BOMNURVTAHAEBQ-JOVQOBAQSA-N
BMGC_DG03260,BMG_DG085695,C1CC1CN[C@@H](C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CC=CC(=C5)C#N,n1(nc(cc1C(=O)Nc2c(ccc(c2)[C@H](NCC3CC3)c4cc(ccc4)C#N)F)C(F)(F)F)-c5cc(ccc5)CN,"InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)/t28-/m1/s1",UXNXMBYCBRBRFD-MUUNZHRXSA-N
BMGC_DG03261,BMG_DG085718,CCOC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N,S(Nc1nnc(cc1)OCC)(c2ccc(cc2)N)(=O)=O,"InChI=1S/C12H14N4O3S/c1-2-19-12-8-7-11(14-15-12)16-20(17,18)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,16)",FFJIWWBSBCOKLS-UHFFFAOYSA-N
BMGC_DG03262,BMG_DG085738,CC1=C(C(=O)N(C=C1Br)CC2=CC=C(C=C2)F)NC(=O)C3CCCCCC3,,"InChI=1S/C21H24BrFN2O2/c1-14-18(22)13-25(12-15-8-10-17(23)11-9-15)21(27)19(14)24-20(26)16-6-4-2-3-5-7-16/h8-11,13,16H,2-7,12H2,1H3,(H,24,26)",NSGDYZCDUPSTQT-UHFFFAOYSA-N
BMGC_DG03263,BMG_DG085775,C1CC1S(=O)(=O)C2=CC=C(C=C2)[C@H](C(=O)NC3=NC=C(S3)OC4=CC=C(C=C4)C(=O)O)OC5=C(C=C(C=C5)F)F,,"InChI=1S/C27H20F2N2O7S2/c28-17-5-12-22(21(29)13-17)38-24(15-3-8-19(9-4-15)40(35,36)20-10-11-20)25(32)31-27-30-14-23(39-27)37-18-6-1-16(2-7-18)26(33)34/h1-9,12-14,20,24H,10-11H2,(H,33,34)(H,30,31,32)/t24-/m1/s1",XJFUEUNGZVAEIX-XMMPIXPASA-N
BMGC_DG03264,BMG_DG085778,CC(C)(C)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)NO)C(=O)CN(CC3=C(C(=C(C(=C3F)F)F)F)F)S(=O)(=O)C4=CC=C(C=C4)F,,"InChI=1S/C33H29F6N3O5S/c1-33(2,3)21-8-4-19(5-9-21)16-42(23-12-6-20(7-13-23)32(44)40-45)26(43)18-41(48(46,47)24-14-10-22(34)11-15-24)17-25-27(35)29(37)31(39)30(38)28(25)36/h4-15,45H,16-18H2,1-3H3,(H,40,44)",LTRKEOBJRDKIHB-UHFFFAOYSA-N
BMGC_DG03265,BMG_DG085786,,c12c(n(CCCCC)cc1C(CC34CC5CC(CC(C5)C3)C4)=O)cccc2,,BRHHDIPEHOKFET-UHFFFAOYSA-N
BMGC_DG03266,BMG_DG085787,C1CN2C=C(N=C2O[C@H]1COC3=CN=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-],C(Oc1ccc(nc1)-c2ccc(F)cc2)[C@@H]3Oc4n(cc([N+](=O)[O-])n4)CC3,"InChI=1S/C18H15FN4O4/c19-13-3-1-12(2-4-13)16-6-5-14(9-20-16)26-11-15-7-8-22-10-17(23(24)25)21-18(22)27-15/h1-6,9-10,15H,7-8,11H2/t15-/m1/s1",USIKCXQLXHGVDD-OAHLLOKOSA-N
BMGC_DG03267,BMG_DG085794,,O=C([C@H]1N(C(c2ccc(S(=O)(N)=O)cc2)=O)CCC1)O[C@H]3CC[C@@]4([H])[C@]5([H])CCc6cc(O)ccc6[C@@]5([H])CC[C@]34C,,DDUJSLXJKGYGCG-OQDYUIEKSA-N
BMGC_DG03268,BMG_DG085795,,C1Oc2nc([N+](=O)[O-])cn2C[C@H]1Oc3ccc(OC(F)(F)F)cc3,,IXUWKDINJWESQG-SNVBAGLBSA-N
BMGC_DG03269,BMG_DG085796,CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CCCC[C@H]34)C)O,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC1)[H])(CCCC4)[H])[H])(CC[C@@]2(O)CC)[H])C,"InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1",AOXRBFRFYPMWLR-XGXHKTLJSA-N
BMGC_DG03270,BMG_DG085831,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC(=O)O2)CCC4=CC(=O)C=C[C@]34C,[C@]12(C(=CC(C=C1)=O)CC[C@@]3([C@@]2(CC[C@@]4(OC(=O)CC[C@@]34[H])C)[H])[H])C,"InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1",BPEWUONYVDABNZ-DZBHQSCQSA-N
BMGC_DG03271,BMG_DG085839,CCC(C)C.CCC(CC(C)C1=CC=CC=C1)C2=CC=C(C=C2)C[N+](C)(C)C.N.[Cl-],,"InChI=1S/C22H32N.C5H12.ClH.H3N/c1-6-20(16-18(2)21-10-8-7-9-11-21)22-14-12-19(13-15-22)17-23(3,4)5;1-4-5(2)3;;/h7-15,18,20H,6,16-17H2,1-5H3;5H,4H2,1-3H3;1H;1H3/q+1;;;/p-1",POJQWPZVKOFVHS-UHFFFAOYSA-M
BMGC_DG03272,BMG_DG086085,CC(CCCC(C)(C)O)C1CC[C@H]2[C@@]1(CCCC2=CC=C3CC(CCC3=C)O)C,,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/t20?,23?,24?,25-,27-/m1/s1",JWUBBDSIWDLEOM-LNEGBQAHSA-N
BMGC_DG03273,BMG_DG086090,,C(C(C)c1cc2[nH]c3ccccc3c2cc1)(=O)O,,HSJIVJPREZQHFK-UHFFFAOYSA-N
BMGC_DG03274,BMG_DG086112,,Fc1cc(F)c(-c2ccccc2)cc1NS(c3c(c(Cl)cc(C(=O)OC)c3)O)(=O)=O,,YSTSHUWHIDBZAK-UHFFFAOYSA-N
BMGC_DG03275,BMG_DG086151,C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C,[C@@]12(C(C=C[C@@]3([C@@]1(CC[C@@]4([C@@]5(OC(=O)CC5)CC[C@@]34[H])C)[H])[H])=CC(=O)CC2)C,"InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1",UJVLDDZCTMKXJK-WNHSNXHDSA-N
BMGC_DG03276,BMG_DG086157,CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C,[C@]12([C@]([C@@]3(CCc4c([C@]3(CC1)[H])ccc(O)c4)[H])(CC[C@@H]2OC(=O)CCCC)[H])C,"InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1",RSEPBGGWRJCQGY-RBRWEJTLSA-N
BMGC_DG03277,BMG_DG086189,CC1(CC(CC(N1[O])(C)C)O)C,N1(C(CC(CC1(C)C)O)(C)C)[O],"InChI=1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3",UZFMOKQJFYMBGY-UHFFFAOYSA-N
BMGC_DG03278,BMG_DG086214,C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O,[H+].n1([C@H]2[C@@H]([C@H](O)[C@H](O2)COP(OP([O-])(=O)OCC[N+](C)(C)C)(=O)[O-])O)c(nc(N)cc1)=O,"InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1",RZZPDXZPRHQOCG-OJAKKHQRSA-N
BMGC_DG03279,BMG_DG086218,C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O,,"InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/p+1/t9-,11-,12-,13-/m1/s1",RZZPDXZPRHQOCG-OJAKKHQRSA-O
BMGC_DG03280,BMG_DG086254,CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.[Cl-],c1(c2cc(c(NCC)cc2[o+]c3c1cc(C)c(NCC)c3)C)-c4ccccc4C(=O)OCC.[Cl-],"InChI=1S/C28H30N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29H,6-8H2,1-5H3;1H",VYXSBFYARXAAKO-UHFFFAOYSA-N;XFKVYXCRNATCOO-UHFFFAOYSA-M
BMGC_DG03281,BMG_DG086312,,C([C@H](NC=O)CC(C)C)(=O)O[C@@H](CCCCCCCCCCC)C[C@@H]1OC([C@H]1CCCCCC)=O,,AHLBNYSZXLDEJQ-NFGXINMFSA-N
BMGC_DG03282,BMG_DG086314,CP(=O)(O)O,P(C)(O)(O)=O,"InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)",YACKEPLHDIMKIO-UHFFFAOYSA-N
BMGC_DG03283,BMG_DG086396,CC(COC[C@@H]1[C@@H]2[C@H]([C@@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@H]([C@@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@H]([C@@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@H]([C@@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@H]([C@@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@H]([C@@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@H]([C@@H]8O)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)O)O)O,,"InChI=1S/C63H112O42/c1-22(64)8-85-15-29-50-36(71)43(78)57(92-29)100-51-30(16-86-9-23(2)65)94-59(45(80)38(51)73)102-53-32(18-88-11-25(4)67)96-61(47(82)40(53)75)104-55-34(20-90-13-27(6)69)98-63(49(84)42(55)77)105-56-35(21-91-14-28(7)70)97-62(48(83)41(56)76)103-54-33(19-89-12-26(5)68)95-60(46(81)39(54)74)101-52-31(17-87-10-24(3)66)93-58(99-50)44(79)37(52)72/h22-84H,8-21H2,1-7H3/t22?,23?,24?,25?,26?,27?,28?,29-,30-,31-,32-,33-,34-,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m1/s1",ODLHGICHYURWBS-LMNZQWFYSA-N
BMGC_DG03284,BMG_DG086399,CN(C)CC[C@@](C1=CC(=NC(=C1)OC)OC)([C@H](C2=C(C(=CC=C2)OC)F)C3=C(N=C4C=CC(=CC4=C3)Br)OC)O,c1([C@@H]([C@](O)(c2cc(OC)nc(c2)OC)CCN(C)C)c3c(nc4ccc(cc4c3)Br)OC)cccc(c1F)OC,"InChI=1S/C30H33BrFN3O5/c1-35(2)13-12-30(36,19-16-25(38-4)34-26(17-19)39-5)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)40-6/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/m1/s1",JJEGOJPMKLRSPJ-POURPWNDSA-N
BMGC_DG03285,BMG_DG086400,B([C@H](CC1=COC2=CC=CC=C21)NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)(O)O,,"InChI=1S/C17H20BNO5/c20-17(13-8-11-5-6-15(13)24-11)19-16(18(21)22)7-10-9-23-14-4-2-1-3-12(10)14/h1-4,9,11,13,15-16,21-22H,5-8H2,(H,19,20)/t11-,13-,15+,16+/m1/s1",RFQDLTYXNINJON-OYNZBZHQSA-N
BMGC_DG03286,BMG_DG086421,COC1=CC=C(C=C1)N2C(=NC(=N2)OCC(F)(F)F)C3=CC=C(C=C3)O[11CH3],n1(c(nc(n1)OCC(F)(F)F)-c2ccc(cc2)O[11CH3])-c3ccc(cc3)OC,"InChI=1S/C18H16F3N3O3/c1-25-14-7-3-12(4-8-14)16-22-17(27-11-18(19,20)21)23-24(16)13-5-9-15(26-2)10-6-13/h3-10H,11H2,1-2H3/i1-1",YBEGHAAVDAFSSE-BJUDXGSMSA-N
BMGC_DG03287,BMG_DG086430,,[C@]12([C@@]3([C@@]([C@]4([C@@](C(CC4)=O)(CC3)C)[H])([H])C[C@H](O)C1=CC(CC2)=O)[H])C,,WVAMBAWFDOYFOD-BMSLSITRSA-N
BMGC_DG03288,BMG_DG086437,C[N+](C)(C)CCCl,ClCC[N+](C)(C)C,"InChI=1S/C5H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1",JUZXDNPBRPUIOR-UHFFFAOYSA-N
BMGC_DG03289,BMG_DG086453,C1CCC(CC1)NC(=O)OC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)N,C(c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1)(=O)N,"InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)",ROFVXGGUISEHAM-UHFFFAOYSA-N
BMGC_DG03290,BMG_DG086595,CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)CCSC3=CC4=C(C=C3)C(=NN4)/C=C/C5=CC=CC=N5)C(F)(F)F,,"InChI=1S/C30H31F3N6OS/c1-38-13-15-39(16-14-38)20-21-5-6-23(18-26(21)30(31,32)33)35-29(40)11-17-41-24-8-9-25-27(36-37-28(25)19-24)10-7-22-4-2-3-12-34-22/h2-10,12,18-19H,11,13-17,20H2,1H3,(H,35,40)(H,36,37)/b10-7+",UDEAKWSKOGAXIJ-JXMROGBWSA-N
BMGC_DG03291,BMG_DG086678,C[C@H]1CCC2=C(N1C(=O)OC)C=CC3=C2N=C(N3[C@@H]4CCC[C@H](C4)C(=O)O)[C@@H](C5=C(C=CC(=C5)F)OC)O,[C@H](O)(c1nc2c(n1[C@H]3C[C@H](C(O)=O)CCC3)ccc4c2CC[C@@H](N4C(OC)=O)C)c5c(OC)ccc(c5)F,"InChI=1S/C28H32FN3O6/c1-15-7-9-19-21(31(15)28(36)38-3)10-11-22-24(19)30-26(25(33)20-14-17(29)8-12-23(20)37-2)32(22)18-6-4-5-16(13-18)27(34)35/h8,10-12,14-16,18,25,33H,4-7,9,13H2,1-3H3,(H,34,35)/t15-,16+,18+,25+/m0/s1",NOUKMOKAEKAWKS-FSEQIFNCSA-N
BMGC_DG03292,BMG_DG086704,,Clc1c(cc(cc1)NC(C2=C(OCCS2)C)=O)C(=O)OC(C)C,,FMQGUMRNTBJHEA-UHFFFAOYSA-N
BMGC_DG03293,BMG_DG086707,,O=C(C(=O)CCC)CCC,,XYZAPOXYXNIBEU-UHFFFAOYSA-N
BMGC_DG03294,BMG_DG086713,CC1=NC2=C(N1CC3=NN=C(O3)[C@@H](C)F)C=C(C=N2)C4=C5C(=NC=NN5C=C4)OC,O(C)c1c2c(ccn2ncn1)-c3cc4n(Cc5oc([C@@H](C)F)nn5)c(C)nc4nc3,"InChI=1S/C19H17FN8O2/c1-10(20)18-26-25-15(30-18)8-27-11(2)24-17-14(27)6-12(7-21-17)13-4-5-28-16(13)19(29-3)22-9-23-28/h4-7,9-10H,8H2,1-3H3/t10-/m1/s1",OENNTZBJPRRGFL-SNVBAGLBSA-N
BMGC_DG03295,BMG_DG086714,CC1=C(SC(=N1)N(C)C(=O)CC2=CC=C(C=C2)C3=C(C=CC(=C3)F)F)[S@@](=N)(=O)C,,"InChI=1S/C20H19F2N3O2S2/c1-12-19(29(3,23)27)28-20(24-12)25(2)18(26)10-13-4-6-14(7-5-13)16-11-15(21)8-9-17(16)22/h4-9,11,23H,10H2,1-3H3/t29-/m0/s1",JDZTWDISDHLKCR-LJAQVGFWSA-N
BMGC_DG03296,BMG_DG086717,,n1[nH]c(C)c(c1C)C,,HUVAAOZUPLEYBH-UHFFFAOYSA-N
BMGC_DG03297,BMG_DG086762,C1CC1C2=C(C(=NO2)C3=C(C=NC=C3Cl)Cl)C4=CC5(C4)CCN(CC5)C6=CC7=C(C=C6)N=C(C=C7C(F)(F)F)C(=O)O,n1c(cc(c2cc(ccc12)N3CCC4(CC(=C4)c5c(noc5C6CC6)-c7c(cncc7Cl)Cl)CC3)C(F)(F)F)C(=O)O,"InChI=1S/C30H23Cl2F3N4O3/c31-20-13-36-14-21(32)25(20)26-24(27(42-38-26)15-1-2-15)16-11-29(12-16)5-7-39(8-6-29)17-3-4-22-18(9-17)19(30(33,34)35)10-23(37-22)28(40)41/h3-4,9-11,13-15H,1-2,5-8,12H2,(H,40,41)",WPGAVSDZYIRUGE-UHFFFAOYSA-N
BMGC_DG03298,BMG_DG086765,,NC(c1ccccc1)(c2ccccc2)c3ccccc3,,BZVJOYBTLHNRDW-UHFFFAOYSA-N
BMGC_DG03299,BMG_DG086768,CC1=NC2=C(C=NN2C(=C1)NC3CCN(CC3)C(=O)O[C@H]4CCN(C4)C(=O)/C=C/CN(C)C)C(C)C,,"InChI=1S/C26H39N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h6-7,15-16,18,20-21,29H,8-14,17H2,1-5H3/b7-6+/t21-/m0/s1",GRDAHPJRLCTJNA-BXKJMJEDSA-N
BMGC_DG03300,BMG_DG086772,CN1CCC[C@H]1COC2=NC3=C(CCN(C3)C4=CC=CC5=C4C(=CC=C5)Cl)C(=N2)N6CCN([C@H](C6)CC#N)C(=O)C(=C)F,C(C[C@@H]1N(CCN(C1)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6cccc(c56)Cl)C(C(=C)F)=O)#N,"InChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/t23-,24-/m0/s1",PEMUGDMSUDYLHU-ZEQRLZLVSA-N
BMGC_DG03301,BMG_DG086775,,c1(cc(oc(c1)C)C)=O,,VSYFZULSKMFUJJ-UHFFFAOYSA-N
BMGC_DG03302,BMG_DG086780,CCOC(=O)C1=CN=C2C(=C1N[C@@H]3CCCN(C3)C(=O)CC#N)C=CN2,N(c1c2c(ncc1C(OCC)=O)[nH]cc2)[C@H]3CN(C(CC#N)=O)CCC3,"InChI=1S/C18H21N5O3/c1-2-26-18(25)14-10-21-17-13(6-8-20-17)16(14)22-12-4-3-9-23(11-12)15(24)5-7-19/h6,8,10,12H,2-5,9,11H2,1H3,(H2,20,21,22)/t12-/m1/s1",QQOPOYMFJLUSBI-GFCCVEGCSA-N
BMGC_DG03303,BMG_DG086803,,CC(=O)Nc1cccc2c1C(=O)NC2=O,,SJRJIOQDTLOAQV-UHFFFAOYSA-N
BMGC_DG03304,BMG_DG086804,C[C@H]1C/C=C/[C@@]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCC5=C4C=CC(=C5)Cl)COC6=C3C=C(C=C6)C(=O)NS(=O)(=O)[C@@H]1C)(CN7CCN8CCCC[C@@H]8C7)OC,C1CC[C@H]2N(C1)CCN(C2)C[C@@]\3([C@H]4[C@H](CN5c6cc(C(NS([C@@H]([C@H](C/C=C3)C)C)(=O)=O)=O)ccc6OC[C@@]7(C5)CCCc8c7ccc(c8)Cl)CC4)OC,"InChI=1S/C42H57ClN4O5S/c1-29-8-6-18-42(51-3,27-45-20-21-46-19-5-4-10-35(46)25-45)37-14-11-33(37)24-47-26-41(17-7-9-31-22-34(43)13-15-36(31)41)28-52-39-16-12-32(23-38(39)47)40(48)44-53(49,50)30(29)2/h6,12-13,15-16,18,22-23,29-30,33,35,37H,4-5,7-11,14,17,19-21,24-28H2,1-3H3,(H,44,48)/b18-6+/t29-,30+,33-,35+,37+,41-,42-/m0/s1",BJTFTQIBRVBSBH-VCQPVEJUSA-N
BMGC_DG03305,BMG_DG086806,COC1=CC(=NC=C1OC2=CC=C(C=C2)F)C(=O)N3CCC(CC3)C4=NN=C(C=C4)N,c1c(ccc(c1)Oc2cnc(C(=O)N3CCC(c4nnc(cc4)N)CC3)cc2OC)F,"InChI=1S/C22H22FN5O3/c1-30-19-12-18(25-13-20(19)31-16-4-2-15(23)3-5-16)22(29)28-10-8-14(9-11-28)17-6-7-21(24)27-26-17/h2-7,12-14H,8-11H2,1H3,(H2,24,27)",JUALOUHZJJERQT-UHFFFAOYSA-N
BMGC_DG03306,BMG_DG086807,C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4=NC5=C(C=C4)OC6=C(CC57CC7)C=CC(=C6)C(=O)O,,"InChI=1S/C29H22Cl2N2O5/c30-19-2-1-3-20(31)24(19)25-18(26(38-33-25)15-4-5-15)14-36-23-9-8-21-27(32-23)29(10-11-29)13-17-7-6-16(28(34)35)12-22(17)37-21/h1-3,6-9,12,15H,4-5,10-11,13-14H2,(H,34,35)",JZJOXLSYULKNLW-UHFFFAOYSA-N
BMGC_DG03307,BMG_DG086819,,CCn1cncc1-c2c[nH]c3ccc(I)cc23,,JLCILCCDUVFIRF-UHFFFAOYSA-N
BMGC_DG03308,BMG_DG086820,,CCn1cncc1-c2c[nH]c3ccc(cc23)C(N)=O,,RXDHCCKYQJNUFV-UHFFFAOYSA-N
BMGC_DG03309,BMG_DG086824,,,,
BMGC_DG03310,BMG_DG086835,CNC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC(=O)C4CC4,O(C)c1c(cccc1Nc2c(C(NC)=O)nnc(NC(=O)C3CC3)c2)-c4ncn(C)n4,"InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)",BZZKEPGENYLQSC-UHFFFAOYSA-N
BMGC_DG03311,BMG_DG086844,CNC1=C(C(=NN1[C@H]2CCN(C2)C(=O)C=C)C#CC3=CC(=CC(=C3)OC)OC)C(=O)N,N(C)c1n(nc(c1C(N)=O)C#Cc2cc(OC)cc(c2)OC)[C@@H]3CN(CC3)C(C=C)=O,"InChI=1S/C22H25N5O4/c1-5-19(28)26-9-8-15(13-26)27-22(24-2)20(21(23)29)18(25-27)7-6-14-10-16(30-3)12-17(11-14)31-4/h5,10-12,15,24H,1,8-9,13H2,2-4H3,(H2,23,29)/t15-/m0/s1",QFUIJOBJAQBGDH-HNNXBMFYSA-N
BMGC_DG03312,BMG_DG086930,,c1ccc(cc1)C2CCC(=O)O2,,AEUULUMEYIPECD-UHFFFAOYSA-N
BMGC_DG03313,BMG_DG086933,,O=C1CCc2cc(-n3ccnc3)ccc2N1,,BDMKPUAZENLRDY-UHFFFAOYSA-N
BMGC_DG03314,BMG_DG086936,,c1(-c2cccnc2)ccccc1,,HJKGBRPNSJADMB-UHFFFAOYSA-N
BMGC_DG03315,BMG_DG086970,,O=C1N2[C@](CCC2)(C(=O)N[C@@H](C)C(N[C@@H](C(N[C@]1(CCCCCC(=O)[C@@H]3CO3)[H])=O)C)=O)[H],,GNYCTMYOHGBSBI-SVZOTFJBSA-N
BMGC_DG03316,BMG_DG087018,,c1c([C@H](Nc2c3c(nc(C)n2)cc(OC)c(c3)O[C@@H]4COCC4)C)cc(C(F)(F)F)cc1N,,XVFDNRYZXDHTHT-PXAZEXFGSA-N
BMGC_DG03317,BMG_DG087020,CC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)C)OC)NC4=NC=C(C(=N4)NC5=C(C6=NC=CN=C6C=C5)P(=O)(C)C)Br,,"InChI=1S/C32H41BrN9O2P/c1-21-18-26(28(44-3)19-27(21)42-12-8-22(9-13-42)41-16-14-40(2)15-17-41)38-32-36-20-23(33)31(39-32)37-25-7-6-24-29(35-11-10-34-24)30(25)45(4,5)43/h6-7,10-11,18-20,22H,8-9,12-17H2,1-5H3,(H2,36,37,38,39)",ZYSKXRAGBGLELB-UHFFFAOYSA-N
BMGC_DG03318,BMG_DG087068,,n1(ccnc1)C,,MCTWTZJPVLRJOU-UHFFFAOYSA-N
BMGC_DG03319,BMG_DG087075,C(C1[C@H]([C@H](C([C@H](O1)O[C@H]2[C@H](C([C@H](OC2CO)O)O)O)O)O)O)O,,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5-,6-,7+,8?,9?,10-,11+,12-/m1/s1",GUBGYTABKSRVRQ-RRPPFORVSA-N
BMGC_DG03320,BMG_DG087145,,C(#C)c1ccc(cc1)[C@H]2c3c([C@@]4(N(C2)CCC4)[H])cccc3,,YPFCCQUUZJDQAM-VQTJNVASSA-N
BMGC_DG03321,BMG_DG087403,,OC(=O)[C@@]1(N)[C@H](CN(C1)C[C@@H](N)Cc2ccccc2)CCCB(O)O,,YNYVUJLGINQWRB-ZOBUZTSGSA-N
BMGC_DG03322,BMG_DG087463,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](OC([C@@H]([C@H]7O)O)O)CO)CO)CO)CO)CO)CO)O)O)O)O,,"InChI=1S/C42H72O36/c43-1-8-15(50)16(51)24(59)37(67-8)74-31-10(3-45)69-39(26(61)18(31)53)76-33-12(5-47)71-41(28(63)20(33)55)78-35-14(7-49)72-42(29(64)22(35)57)77-34-13(6-48)70-40(27(62)21(34)56)75-32-11(4-46)68-38(25(60)19(32)54)73-30-9(2-44)66-36(65)23(58)17(30)52/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36?,37-,38-,39-,40-,41-,42-/m1/s1",BNABBHGYYMZMOA-QJBBZCPBSA-N
BMGC_DG03323,BMG_DG087490,C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl,c1([N+]([O-])=O)c(-c2c(c[nH]c2)Cl)cccc1Cl,"InChI=1S/C10H6Cl2N2O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12/h1-5,13H",QJBZDBLBQWFTPZ-UHFFFAOYSA-N
BMGC_DG03324,BMG_DG087526,CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC,P([O-])(OCC(OC)COCCCCCCCCCCCCCCCCCC)(=O)OCC[N+](C)(C)C,"InChI=1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3",MHFRGQHAERHWKZ-UHFFFAOYSA-N
BMGC_DG03325,BMG_DG087559,,c12c(nc(-c3ccccc3)oc1=O)cccc2,,HTTLBYITFHMYFK-UHFFFAOYSA-N
BMGC_DG03326,BMG_DG087604,COCC1=NN(C=C1C(=O)NCC2=NC=CC(=C2F)OC)CC3=CC=C(C=C3)CN4C=C(C=CC4=O)F,C(NCc1c(F)c(OC)ccn1)(=O)c2c(COC)nn(c2)Cc3ccc(cc3)Cn4c(=O)ccc(c4)F,"InChI=1S/C26H25F2N5O4/c1-36-16-22-20(26(35)30-11-21-25(28)23(37-2)9-10-29-21)15-33(31-22)13-18-5-3-17(4-6-18)12-32-14-19(27)7-8-24(32)34/h3-10,14-15H,11-13,16H2,1-2H3,(H,30,35)",ZRUFVDPYHLTYPD-UHFFFAOYSA-N
BMGC_DG03327,BMG_DG087605,,NCc1ccccc1-c2ccccc2Cl,,CQHFRBPHEMVDPT-UHFFFAOYSA-N
BMGC_DG03328,BMG_DG087653,CCC1=NC(=NO1)C2=CC3=C(C=C2)[C@@H](CC3)NC(=O)C4=CN(N=C4)C,n1(ncc(c1)C(=O)N[C@@H]2CCc3cc(ccc23)-c4noc(n4)CC)C,"InChI=1S/C18H19N5O2/c1-3-16-21-17(22-25-16)12-4-6-14-11(8-12)5-7-15(14)20-18(24)13-9-19-23(2)10-13/h4,6,8-10,15H,3,5,7H2,1-2H3,(H,20,24)/t15-/m1/s1",IOVAZWDIRCRMTM-OAHLLOKOSA-N
BMGC_DG03329,BMG_DG087667,,C[C@H](CC/C=C(\C)/CO)[C@]1(CC[C@@]2([C@@]1(CC=C3C2=CC[C@@]4([C@@]3(CC[C@@H](C4(C)C)O)C)[H])C)C)[H],,AOXXVRDKZLRGTJ-AZIDVCJLSA-N
BMGC_DG03330,BMG_DG087676,C1CN(C[C@@H]([C@H]1NC(=O)C2=NOC(=C2)C3=C(C=C(C=C3)F)F)C(=O)NC4(CC4)C5=NC=CC=N5)CC6CC6,,"InChI=1S/C27H28F2N6O3/c28-17-4-5-18(20(29)12-17)23-13-22(34-38-23)25(37)32-21-6-11-35(14-16-2-3-16)15-19(21)24(36)33-27(7-8-27)26-30-9-1-10-31-26/h1,4-5,9-10,12-13,16,19,21H,2-3,6-8,11,14-15H2,(H,32,37)(H,33,36)/t19-,21-/m0/s1",IIDSHAJKXPUYSL-FPOVZHCZSA-N
BMGC_DG03331,BMG_DG087694,CC(C)N1CCOC2=C1C=C(C=C2F)C3=NC(=NC=C3F)NC4=NC=C(C=C4)C5CCN(CC5)C,C(C)(C)N1c2c(c(F)cc(c2)-c3nc(Nc4ccc(cn4)C5CCN(CC5)C)ncc3F)OCC1,"InChI=1S/C26H30F2N6O/c1-16(2)34-10-11-35-25-20(27)12-19(13-22(25)34)24-21(28)15-30-26(32-24)31-23-5-4-18(14-29-23)17-6-8-33(3)9-7-17/h4-5,12-17H,6-11H2,1-3H3,(H,29,30,31,32)",YZSCPLGKKMSBMV-UHFFFAOYSA-N
BMGC_DG03332,BMG_DG087749,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,C([C@@H]1[C@@H](O)C[C@@H](O1)n2c(=O)nc(N)cc2)OP(=O)(O)O,"InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",NCMVOABPESMRCP-SHYZEUOFSA-N
BMGC_DG03333,BMG_DG087765,,Fc1c2c(c[nH]c2ccc1I)-c3n(CC)cnc3,,KBQLQDPQEMFGCB-UHFFFAOYSA-N
BMGC_DG03334,BMG_DG087778,C1CC2=C(C=CC=N2)N(C1)C3=NNC4=NC(=CN=C43)N5CCC6(CC5)[C@@H](C7=CC=CC=C7O6)N,O1C2([C@H](N)c3c1cccc3)CCN(c4cnc5c(N6c7cccnc7CCC6)n[nH]c5n4)CC2,"InChI=1S/C25H26N8O/c26-22-16-5-1-2-8-19(16)34-25(22)9-13-32(14-10-25)20-15-28-21-23(29-20)30-31-24(21)33-12-4-6-17-18(33)7-3-11-27-17/h1-3,5,7-8,11,15,22H,4,6,9-10,12-14,26H2,(H,29,30,31)/t22-/m1/s1",RGCGBFIARQENML-JOCHJYFZSA-N
BMGC_DG03335,BMG_DG087874,COC1=C(C=CC(=C1)F)C2=CC(=NC=C2F)NC3=NC=CC(=C3)C[S@@](=N)(=O)C,c1c(C[S@@](=N)(=O)C)cc(Nc2cc(-c3ccc(F)cc3OC)c(F)cn2)nc1,"InChI=1S/C19H18F2N4O2S/c1-27-17-8-13(20)3-4-14(17)15-9-19(24-10-16(15)21)25-18-7-12(5-6-23-18)11-28(2,22)26/h3-10,22H,11H2,1-2H3,(H,23,24,25)/t28-/m0/s1",YZCUMZWULWOUMD-NDEPHWFRSA-N
BMGC_DG03336,BMG_DG088210,C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])S(=O)(=O)N,,"InChI=1S/C6H5N3O7S/c7-17(15,16)3-1-4(8(11)12)6(10)5(2-3)9(13)14/h1-2,10H,(H2,7,15,16)",WTBOJVLMXJUMCK-UHFFFAOYSA-N
BMGC_DG03337,BMG_DG088250,,,,
BMGC_DG03338,BMG_DG088255,CC1=CN=C(N=C1C2=CN(N=C2)C(C)C)NC3=CC(=C(C=C3)N4CCC(CC4)N(C)CCO)F,,"InChI=1S/C25H34FN7O/c1-17(2)33-16-19(15-28-33)24-18(3)14-27-25(30-24)29-20-5-6-23(22(26)13-20)32-9-7-21(8-10-32)31(4)11-12-34/h5-6,13-17,21,34H,7-12H2,1-4H3,(H,27,29,30)",CVLXNRIQVFIVGY-UHFFFAOYSA-N
BMGC_DG03339,BMG_DG088349,,C[N+]1(C)CCC[C@H](C1)OC(=O)C(c2ccccc2)(c3ccccc3)O.[Br-],,JRRNZNSGDSFFIR-FSRHSHDFSA-M
BMGC_DG03340,BMG_DG088350,,C[N+]1(C)CCC[C@@H](C1)OC(=O)C(c2ccccc2)(c3ccccc3)O.[Br-],,JRRNZNSGDSFFIR-FYZYNONXSA-M
BMGC_DG03341,BMG_DG088371,C[C@H]1CCC[C@@H](O1)C[C@H]2CC3=C(C(=CC(=C3)O)O)C(=O)O2,O=C1O[C@@H](C[C@]2([H])O[C@@H](C)CCC2)Cc3cc(O)cc(O)c31,"InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1",WOMKDMUZNBFXKG-ZWKOPEQDSA-N
BMGC_DG03342,BMG_DG088384,,C(\c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc21)=C/C(=O)O[C@@H](C(=O)O)Cc4ccc(O)c(O)c4,,GCJWPRRNLSHTRY-VURDRKPISA-N
BMGC_DG03343,BMG_DG088431,,Cc1ccc(cc1)-c2c3c(n(n2)C(C)(C)C)ncnc3N,,ZVPDNRVYHLRXLX-UHFFFAOYSA-N
BMGC_DG03344,BMG_DG088453,,C1(C(=C(C(c2ccccc12)=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)C)=O,,HYPYXGZDOYTYDR-HAJWAVTHSA-N
BMGC_DG03345,BMG_DG088454,CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C,N(C(C)(C)C)C(Nc1nc2c(cc1-c3cc(OC)cc(OC)c3)cnc(NCCCCN(CC)CC)n2)=O,"InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)",DXCUKNQANPLTEJ-UHFFFAOYSA-N
BMGC_DG03346,BMG_DG088492,C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)O)O,,"InChI=1S/C15H10O9S/c16-9-2-1-7(3-10(9)17)13-6-12(19)15-11(18)4-8(5-14(15)23-13)24-25(20,21)22/h1-6,16-18H,(H,20,21,22)",NTLSJCCPWSJISD-UHFFFAOYSA-N
BMGC_DG03347,BMG_DG088496,,C(c1c(O)cc2c([C@]3([H])COc4cc(O)ccc4[C@]3([H])O2)c1)C=C(C)C,,AZLNYSCXKUKIRV-JXFKEZNVSA-N
BMGC_DG03348,BMG_DG088498,CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,OC[C@@H](O)[C@@H](O)[C@@H]([C@@H]([C@H](CC(C(O)=O)=O)O)NC(C)=O)O,"InChI=1S/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,7+,8+,9+,10+/m0/s1",KBGAYAKRZNYFFG-BOHATCBPSA-N
BMGC_DG03349,BMG_DG088604,,C1C[C@]2([C@](C(C1=O)(C)C)(CC[C@]3([C@]2([C@H](CC=4[C@@]3(CCC4[C@@H](C[C@@H]([C@@]5(C(O5)(C)C)[H])OC(=O)C)C)C)O)[H])C)[H])C,,NLOAQXKIIGTTRE-JSWHPQHOSA-N
BMGC_DG03350,BMG_DG088605,,C1C[C@]2([C@](C(C1=O)(C)C)(CC[C@]3([C@]2([C@H](CC=4[C@@]3(CC(C4[C@@H](C[C@@H]([C@@]5(C(O5)(C)C)[H])OC(=O)C)C)=O)C)O)[H])C)[H])C,,KOOCQNIPRJEMDH-QSKXMHMESA-N
BMGC_DG03351,BMG_DG088619,CC(=O)NN,NNC(C)=O,"InChI=1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5)",OFLXLNCGODUUOT-UHFFFAOYSA-N
BMGC_DG03352,BMG_DG088661,CC[C@@H](CO)NCCN[C@@H](CC)CO.Cl.Cl,Cl.CC[C@H](NCCN[C@@H](CC)CO)CO.Cl,"InChI=1S/C10H24N2O2.2ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;;/h9-14H,3-8H2,1-2H3;2*1H/t9-,10-;;/m0../s1",AUAHHJJRFHRVPV-BZDVOYDHSA-N
BMGC_DG03353,BMG_DG088663,CC[C@@H](CO)NCCN[C@@H](CC)CO,C(CN[C@H](CO)CC)N[C@H](CO)CC,"InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1",AEUTYOVWOVBAKS-UWVGGRQHSA-N
BMGC_DG03354,BMG_DG088687,,NC(=O)c1cc(Br)c(Br)[nH]1,,VTWHNVAKXBNGFV-UHFFFAOYSA-N
BMGC_DG03355,BMG_DG088764,,O=C(O)Cc1ccccc1Nc2cc(Cl)ccc2Cl,,JSJQNYIFLKCXRE-UHFFFAOYSA-N
BMGC_DG03356,BMG_DG088795,B1([C@@H]2C[C@@H]2C3=C(O1)C(=C(C=C3)F)C(=O)O)O,C(O)(=O)c1c2c([C@@H]3[C@@H](C3)B(O)O2)ccc1F,"InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1",KOHUFVUIYUCFNG-PHDIDXHHSA-N
BMGC_DG03357,BMG_DG088811,,,,
BMGC_DG03358,BMG_DG088853,,CC(=O)c1c(OCc2ccccc2)ccc3ccc(=O)oc13,,QMLSJCDSHGYBMT-UHFFFAOYSA-N
BMGC_DG03359,BMG_DG088904,,C[C@]12C3=C([C@]4(C)[C@@](C[C@@H]3O)(C(C)(C)C(CC4)=O)[H])C(C[C@]1(C)[C@](CC2=O)([C@@H](CC(C[C@H](C(O)=O)C)=O)C)[H])=O,,YTVGSCZIHGRVAV-NJNFCIENSA-N
BMGC_DG03360,BMG_DG088924,C1=CC=C(C=C1)C(CC(=O)O)CN,C(c1ccccc1)(CN)CC(=O)O,"InChI=1S/C10H13NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)",DAFOCGYVTAOKAJ-UHFFFAOYSA-N
BMGC_DG03361,BMG_DG088927,C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O,c1(-c2ccccc2)c(ccc(c1)O)O,"InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H",XCZKKZXWDBOGPA-UHFFFAOYSA-N
BMGC_DG03362,BMG_DG088930,,COc1ccc2ccc(=O)oc2c1C(C)=O,,OTYBDEHZHXKGBO-UHFFFAOYSA-N
BMGC_DG03363,BMG_DG088955,,,,
BMGC_DG03364,BMG_DG088974,C1=CC(=CC=C1CC2=CC=NC=C2)[N+](=O)[O-],c1(Cc2ccncc2)ccc([N+]([O-])=O)cc1,"InChI=1S/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2",MNHKUCBXXMFQDM-UHFFFAOYSA-N
BMGC_DG03365,BMG_DG089007,C/C=C/C=C/C=C/CC/C=C/C=C/C(=O)NCC(C)(C)O,,"InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+",CRPPMKFSMRODIQ-FMBIJHKPSA-N
BMGC_DG03366,BMG_DG089019,,C1[C@@H](C)[C@H](C)[C@@]2([C@](C(=O)O)(C1)CC[C@@]3(C)[C@@]4(CC[C@@]5([H])[C@@](C)([C@H](CC[C@]5(C)[C@@]4([H])CC=C23)O)CO)C)[H],,NZCULBURCGAPSF-PQWKYGPVSA-N
BMGC_DG03367,BMG_DG089041,,CC(C)CCNC1=CC(=O)c2ccccc2C1=O,,JLOBMWCZCWALTQ-UHFFFAOYSA-N
BMGC_DG03368,BMG_DG089130,C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)[C@H]5O)O)C(=O)O)COC2=O,,"InChI=1S/C20H26O6/c1-10-14(21)20-8-19(10,25)7-4-11(20)18-6-3-5-17(2,16(24)26-9-18)13(18)12(20)15(22)23/h11-14,21,25H,1,3-9H2,2H3,(H,22,23)/t11-,12+,13+,14+,17+,18+,19-,20+/m0/s1",TVHWJBUVLOSPPI-NTQCNERDSA-N
BMGC_DG03369,BMG_DG089172,C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)[C@@H]1CC(CC2)(C)C)C,,"InChI=1S/C30H50O2/c1-25(2)14-15-26(3)16-17-29(6)20(21(26)18-25)8-9-23-27(4)12-11-24(32)28(5,19-31)22(27)10-13-30(23,29)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22+,23+,24-,26+,27-,28+,29+,30+/m0/s1",NTWLPZMPTFQYQI-FLZFTVBESA-N
BMGC_DG03370,BMG_DG089185,,c1(c2c(nc3c1cccc3)cccc2)NCCCN(C)C,,VJGUBCUGFXDMEX-UHFFFAOYSA-N
BMGC_DG03371,BMG_DG089193,C[C@H](COC)NC1CCC(CC1)NC2=NC=C(C(=C2)C3=CSC(=N3)NCC4(CCOCC4)C#N)Cl,c1c(N[C@H]2CC[C@H](N[C@@H](COC)C)CC2)ncc(Cl)c1-c3csc(NCC4(CCOCC4)C#N)n3,"InChI=1S/C25H35ClN6O2S/c1-17(13-33-2)30-18-3-5-19(6-4-18)31-23-11-20(21(26)12-28-23)22-14-35-24(32-22)29-16-25(15-27)7-9-34-10-8-25/h11-12,14,17-19,30H,3-10,13,16H2,1-2H3,(H,28,31)(H,29,32)/t17-,18?,19?/m1/s1",PGVNLOUNSPQGJP-GUDVDZBRSA-N;PGVNLOUNSPQGJP-LMDPOFIKSA-N
BMGC_DG03372,BMG_DG089203,CC1=C(SC(=N1)NC2=NC(=CC=C2)N3CCCC3=O)C4=CC5=C(C(=C4)S(=O)(=O)C)C(=O)N(C5)[C@@H](C)C6CC6,S(C)(=O)(=O)c1c2c(cc(c1)-c3sc(Nc4nc(ccc4)N5C(=O)CCC5)nc3C)CN([C@@H](C)C6CC6)C2=O,"InChI=1S/C27H29N5O4S2/c1-15-25(37-27(28-15)30-21-6-4-7-22(29-21)31-11-5-8-23(31)33)18-12-19-14-32(16(2)17-9-10-17)26(34)24(19)20(13-18)38(3,35)36/h4,6-7,12-13,16-17H,5,8-11,14H2,1-3H3,(H,28,29,30)/t16-/m0/s1",XOMFDZJQLSPGGV-INIZCTEOSA-N
BMGC_DG03373,BMG_DG089223,CC[C@@H](C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5CO[C@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl,C([C@]1(O[C@@H](COc2ccc(cc2)N3CCN(CC3)c4ccc(cc4)-n5c(=O)n([C@@H](CC)C)nc5)CO1)c6c(Cl)cc(Cl)cc6)n7cncn7,"InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25-,31+,35+/m1/s1",VHVPQPYKVGDNFY-DFMJLFEVSA-N
BMGC_DG03374,BMG_DG089225,CC[C@H](C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5CO[C@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl,C([C@]1(O[C@@H](COc2ccc(cc2)N3CCN(CC3)c4ccc(cc4)-n5c(=O)n([C@H](CC)C)nc5)CO1)c6c(Cl)cc(Cl)cc6)n7cncn7,"InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25-,31-,35-/m0/s1",VHVPQPYKVGDNFY-TUJWMRSMSA-N
BMGC_DG03375,BMG_DG089227,C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)[O-])O)O)C(=O)N,[C@@H]1([n+]2cc(ccc2)C(N)=O)O[C@H](COP(O)(=O)[O-])[C@H]([C@H]1O)O,"InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1",DAYLJWODMCOQEW-TURQNECASA-N
BMGC_DG03376,BMG_DG089279,CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C,c1(c(c(C)ncc1CSSCc2c(c(O)c(nc2)C)CO)O)CO,"InChI=1S/C16H20N2O4S2/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3",SIXLXDIJGIWWFU-UHFFFAOYSA-N
BMGC_DG03377,BMG_DG089282,,COc1ccc(c(c1)N)O,,TUADYTFWZPZZTP-UHFFFAOYSA-N
BMGC_DG03378,BMG_DG089325,,[C@H](Cc1ccccc1)([C@H](/C=C(/C=C/[C@@H]([C@@H](C(O)=O)C)N)\C)C)OC,,HJVCHYDYCYBBQX-HLTLHRPFSA-N
BMGC_DG03379,BMG_DG089339,CNC(=O)CSP(=O)(OC)OC,P(SCC(NC)=O)(OC)(OC)=O,"InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)",PZXOQEXFMJCDPG-UHFFFAOYSA-N
BMGC_DG03380,BMG_DG089366,C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O,c1ccc(cc1)C[C@@H]([C@H](/C=C(/C=C/[C@]2([C@@H](C(N[C@H](CCC(N(\C(\C(N[C@H]([C@@H](C(N[C@H](C(N2)=O)CCCNC(=N)N)=O)C)C(=O)O)=O)=C/C)C)=O)C(=O)O)=O)C)[H])\C)C)OC,"InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1",IXBQSRWSVIBXNC-HSKGSTCASA-N
BMGC_DG03381,BMG_DG089369,CC(=CCC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)C,,"InChI=1S/C20H20O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-9,18,21-23H,4,10H2,1-2H3",CGKWSLSAYABZTL-UHFFFAOYSA-N
BMGC_DG03382,BMG_DG089444,C1C[C@@H]([C@H](NC1)CCCN2C=NC3=C2C=CC(=C3Cl)Cl)O,C(CC[C@@H]1[C@@H](O)CCCN1)n2c3c(nc2)c(Cl)c(Cl)cc3,"InChI=1S/C15H19Cl2N3O/c16-10-5-6-12-15(14(10)17)19-9-20(12)8-2-3-11-13(21)4-1-7-18-11/h5-6,9,11,13,18,21H,1-4,7-8H2/t11-,13+/m1/s1",VXCNMWNXDDMFSX-YPMHNXCESA-N
BMGC_DG03383,BMG_DG089456,CN1CCN(CC1)C2CCN(CC2)C3=CN4C(=C(C=N4)C5=C6C=C(C(=CC6=NC=C5)F)OC)N=C3,c1nn2c(ncc(N3CCC(CC3)N4CCN(C)CC4)c2)c1-c5ccnc6c5cc(OC)c(c6)F,"InChI=1S/C26H30FN7O/c1-31-9-11-33(12-10-31)18-4-7-32(8-5-18)19-15-29-26-22(16-30-34(26)17-19)20-3-6-28-24-14-23(27)25(35-2)13-21(20)24/h3,6,13-18H,4-5,7-12H2,1-2H3",UYQADNMBNQEQQG-UHFFFAOYSA-N
BMGC_DG03384,BMG_DG089457,,N(c1n2c(cc(n2)-c3nc(OC)ccc3)ncc1C(N)=O)[C@H]4C(C)(C)CN(CC4)c5ccc(C#N)nn5,,HDTXWUHMYZRQFF-LJQANCHMSA-N
BMGC_DG03385,BMG_DG089469,CCCCCCCCCCCCCC[N+](C)(C)C.[Br-],C(CCCCCCCCCCC)CC[N+](C)(C)C.[Br-],"InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1",CXRFDZFCGOPDTD-UHFFFAOYSA-M
BMGC_DG03386,BMG_DG089472,CCCCCCCCCCCCCC[N+](C)(C)C,C(CCCCCCCCCCC)CC[N+](C)(C)C,"InChI=1S/C17H38N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4/h5-17H2,1-4H3/q+1",GLFDLEXFOHUASB-UHFFFAOYSA-N
BMGC_DG03387,BMG_DG089498,C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N,C(=O)(N1[C@H](C(N[C@H](C(NCC(N)=O)=O)CCCN)=O)CCC1)[C@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC([C@@H](NC([C@H](CSSC2)N)=O)Cc4ccc(cc4)O)=O,"InChI=1S/C45H63N13O12S2/c46-16-4-8-28(39(64)51-21-37(50)62)53-44(69)34-9-5-17-58(34)45(70)33-23-72-71-22-27(47)38(63)54-30(19-25-10-12-26(59)13-11-25)42(67)55-31(18-24-6-2-1-3-7-24)41(66)52-29(14-15-35(48)60)40(65)56-32(20-36(49)61)43(68)57-33/h1-3,6-7,10-13,27-34,59H,4-5,8-9,14-23,46-47H2,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,66)(H,53,69)(H,54,63)(H,55,67)(H,56,65)(H,57,68)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1",MUNMIGOEDGHVLE-LGYYRGKSSA-N
BMGC_DG03388,BMG_DG089499,C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=CC=C4)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N,,"InChI=1S/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1",SFKQVVDKFKYTNA-DZCXQCEKSA-N
BMGC_DG03389,BMG_DG089580,,C(C[N+](C)(C)C)CCC(=O)[O-],,CDLVFVFTRQPQFU-UHFFFAOYSA-N
BMGC_DG03390,BMG_DG089614,,O(C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COS(C)(=O)=O)S(C)(=O)=O,,ODOISJJCWUVNDJ-WCTZXXKLSA-N
BMGC_DG03391,BMG_DG089633,,CN(C)c1ccncc1,,VHYFNPMBLIVWCW-UHFFFAOYSA-N
BMGC_DG03392,BMG_DG089699,,c12c(cnc(c1)C)cccc2,,FVVXWRGARUACNW-UHFFFAOYSA-N
BMGC_DG03393,BMG_DG089706,C1=CC(=CC=C1C(=O)O)[Hg].O,,"InChI=1S/C7H5O2.Hg.H2O/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);;1H2",NBCQBGBECVUZMK-UHFFFAOYSA-N
BMGC_DG03394,BMG_DG089731,,c12c(c(ccc1)C)NC(C2=O)=O,,UEHZKEABUOAZSH-UHFFFAOYSA-N
BMGC_DG03395,BMG_DG089768,,,,
BMGC_DG03396,BMG_DG089774,,C(C)(=O)c1cc2c(cc1OCCCCCOc3c(CCC)c(O)c(cc3)C(C)=O)O[C@H](CC2)C(O)=O,,FGGYJWZYDAROFF-XMMPIXPASA-N
BMGC_DG03397,BMG_DG089775,CC(=NCC1=CC=CC(=C1)CN)N,N(Cc1cc(CN)ccc1)C(=N)C,"InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)",RODUKNYOEVZQPR-UHFFFAOYSA-N
BMGC_DG03398,BMG_DG089780,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CC/C=C/CCCCCCCCC)O,,"InChI=1S/C34H65NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,27,29,32-33,36-37H,3-18,20,22-26,28,30-31H2,1-2H3,(H,35,38)/b21-19+,29-27+/t32-,33+/m0/s1",GMWIWVUTMCBDSP-ILAZMTIGSA-N
BMGC_DG03399,BMG_DG089801,,c1(-c2cc(ccn2)C)cc(ccn1)C,,NBPGPQJFYXNFKN-UHFFFAOYSA-N
BMGC_DG03400,BMG_DG089856,,C(\c1c(O)cc(CC=C(C)C)c(O)c1C=O)=C/CCCCC,,FYGPFTSGVSZKAJ-CMDGGOBGSA-N
BMGC_DG03401,BMG_DG089865,,c12c(cc(C(O)=O)cc1)ccc(c2)C(O)=O,,RXOHFPCZGPKIRD-UHFFFAOYSA-N
BMGC_DG03402,BMG_DG089869,,c1(SSc2c(cccc2)N)c(cccc1)N,,YYYOQURZQWIILK-UHFFFAOYSA-N
BMGC_DG03403,BMG_DG089893,CCCC(C(=O)C1=CC=C(C=C1)C)N2CCCC2,C(C(N1CCCC1)CCC)(c2ccc(cc2)C)=O,"InChI=1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3",SWUVZKWCOBGPTH-UHFFFAOYSA-N
BMGC_DG03404,BMG_DG090038,,COc1ccc(-c2nc(O)c(-c3ccccc3)s2)cc1,,YQAKORGQQCUKEJ-UHFFFAOYSA-N
BMGC_DG03405,BMG_DG090142,,N[C@H](C(O)=O)[C@@H](O)C(O)=O,,YYLQUHNPNCGKJQ-NHYDCYSISA-N
BMGC_DG03406,BMG_DG090176,C1[C@H]2CC(CC3N2CC(=O)C1C3)OC(=O)C4=CNC5=CC=CC=C54,,"InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11?,12-,13?,14?/m0/s1",UKTAZPQNNNJVKR-UDXKHGJESA-N
BMGC_DG03407,BMG_DG090198,,C[C@@]12c3ccc(C(O)(C)C)cc3CC[C@@]1([H])[C@](CCC2)(C)C(=O)O,,ILQLITDRYFHAGM-NSISKUIASA-N
BMGC_DG03408,BMG_DG090250,[N]=O,[N]=O,InChI=1S/NO/c1-2,MWUXSHHQAYIFBG-UHFFFAOYSA-N
BMGC_DG03409,BMG_DG090282,CC(=O)NC1CCSC1=O,C1(C(SCC1)=O)NC(C)=O,"InChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)",NRFJZTXWLKPZAV-UHFFFAOYSA-N
BMGC_DG03410,BMG_DG090334,,c12c(nc(C)cc1C)cccc2,,ZTNANFDSJRRZRJ-UHFFFAOYSA-N
BMGC_DG03411,BMG_DG090351,CC(C)(C1CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O,,"InChI=1S/C19H18O5/c1-19(2,22)18-7-11-3-10-6-15(23-16(10)9-17(11)24-18)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3",HMTMYIWMPJSCAZ-UHFFFAOYSA-N
BMGC_DG03412,BMG_DG090352,CC1(C(CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O)C,,"InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3",QFUCSEIKNTUPPA-UHFFFAOYSA-N
BMGC_DG03413,BMG_DG090379,,N1(c2c(cccc2)Cl)C(C=CC1=O)=O,,KPQOXMCRYWDRSB-UHFFFAOYSA-N
BMGC_DG03414,BMG_DG090390,,c12c(cccn1)CCc3c(C2=C4CCN(CC4)C=O)ccc(c3)Cl,,QGLIUOLEDZMNSF-UHFFFAOYSA-N
BMGC_DG03415,BMG_DG090408,,Oc1c(N)cc(-c2ccccc2)cc1,,IGIDZGNPFWGICD-UHFFFAOYSA-N
BMGC_DG03416,BMG_DG090415,,Nc1ccc(cc1)-c2ccc(O)cc2,,LQZZZAFQKXTFKH-UHFFFAOYSA-N
BMGC_DG03417,BMG_DG090418,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC,c1(cc(=O)c2c(OC)c(OC)c(OC)cc2o1)-c3cc(OC)c(OC)cc3,"InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3",LKMNXYDUQXAUCZ-UHFFFAOYSA-N
BMGC_DG03418,BMG_DG090434,[2H]C(=C1C(CC(CC1=C([2H])C=C2CCC[C@]3(C2CCC3C(C)CCCC(C)(C)O)C)O)O)[2H],,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/t18?,22?,23?,24?,25?,27-/m1/s1/i2D2,11D",GMRQFYUYWCNGIN-YYGKRFDUSA-N
BMGC_DG03419,BMG_DG090435,[2H]C(=C1CCC(CC1=C([2H])C=C2CCC[C@]3(C2CCC3C(C)CCCC(C)(C)O)C)O)[2H],,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/t20?,23?,24?,25?,27-/m1/s1/i1D2,12D",JWUBBDSIWDLEOM-YVMQVMBFSA-N
BMGC_DG03420,BMG_DG090439,[CH3-].CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4(C(C5[C@]6([C@@](C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C([C@]7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3],,"InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;-1;+3/p-2/t31?,34?,35?,36?,37?,41?,52?,53?,56?,57?,59-,60+,61+,62+;;/m1../s1",ZFLASALABLFSNM-AZCDKEHOSA-L
BMGC_DG03421,BMG_DG090445,CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4(C(C5[C@]6([C@@](C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C([C@]7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31?,34?,35?,36?,37?,41?,52?,53?,56?,57?,59-,60+,61+,62+;;/m1../s1",FDJOLVPMNUYSCM-AZCDKEHOSA-L
BMGC_DG03422,BMG_DG090609,,c1(cc(=O)c2ccccc2o1)-c3cc(c(cc3)O)O,,SRNPMQHYWVKBAV-UHFFFAOYSA-N
BMGC_DG03423,BMG_DG090610,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O,O=c1n(ccc(=O)[nH]1)[C@@H]2O[C@H](COP(OP(=O)(O)O)(=O)O)[C@@H](O)C2,"InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",QHWZTVCCBMIIKE-SHYZEUOFSA-N
BMGC_DG03424,BMG_DG090619,C1C[C@H](NC1)C(=O)O,C([C@H]1NCCC1)(=O)O,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1",ONIBWKKTOPOVIA-BYPYZUCNSA-N
BMGC_DG03425,BMG_DG090631,,C(C(O)=O)(=O)c1cc(OC)c(OC)cc1,,BMGOAOMKRNIFAM-UHFFFAOYSA-N
BMGC_DG03426,BMG_DG090657,CC(C)C[C@@H]1CN2CCC3=CC(=C(C=C3[C@H]2C[C@H]1O)OC)OC,O[C@@H]1C[C@@]2(c3c(cc(OC)c(OC)c3)CCN2C[C@H]1CC(C)C)[H],"InChI=1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/t14-,16-,17-/m1/s1",WEQLWGNDNRARGE-DJIMGWMZSA-N
BMGC_DG03427,BMG_DG090662,C(CC(=O)N)[C@H](C(=O)O)N,C(=O)([C@@H](CCC(=O)N)N)O,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1",ZDXPYRJPNDTMRX-GSVOUGTGSA-N
BMGC_DG03428,BMG_DG090665,C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O,c1(c(c(c2c(o1)cccc2)=O)O)-c3cc(c(cc3)O)O,"InChI=1S/C15H10O5/c16-10-6-5-8(7-11(10)17)15-14(19)13(18)9-3-1-2-4-12(9)20-15/h1-7,16-17,19H",KPGMHZQXQVDYNT-UHFFFAOYSA-N
BMGC_DG03429,BMG_DG090675,CCNC1C2CCC(C2)C1C3=CC=CC=C3,,"InChI=1S/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3",IKFBPFGUINLYQI-UHFFFAOYSA-N
BMGC_DG03430,BMG_DG090740,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](/C(=C(/C4=N5)\C)/[N-]8)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1",FDJOLVPMNUYSCM-UVKKECPRSA-L
BMGC_DG03431,BMG_DG090756,CC1=CN=C(C(=C1OC)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC,c1(nc2c([nH]1)ccc(c2)OC)S(=O)(=O)Cc3c(c(c(cn3)C)OC)C,"InChI=1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)",IXEQEYRTSRFZEO-UHFFFAOYSA-N
BMGC_DG03432,BMG_DG090762,CCCC(CC1=CC=CC=C1)N2CCCC2,c1ccc(cc1)CC(CCC)N2CCCC2,"InChI=1S/C15H23N/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3",OJCPSBCUMRIPFL-UHFFFAOYSA-N
BMGC_DG03433,BMG_DG090778,,Oc1cc(O)cc(Oc2c3c(Oc4c(O3)c(O)cc(O)c4)c(O)cc2O)c1,,PCZZRBGISTUIOA-UHFFFAOYSA-N
BMGC_DG03434,BMG_DG090837,,c1ccc2c(c1)cc3n2CCNC3,,AEIDURNZWCNQIM-UHFFFAOYSA-N
BMGC_DG03435,BMG_DG090838,,c1cc2c(cc1Cl)cc3CNCCn32,,QKGDOWUCRMVFPY-UHFFFAOYSA-N
BMGC_DG03436,BMG_DG090839,,O(c1ccc(cc1)C(F)(F)F)[C@H]2c3c(C[C@H]2CNC)cccc3,,BDCMARKCSKLIKU-SUMWQHHRSA-N
BMGC_DG03437,BMG_DG090848,CC(C1=CC=C(C=C1)Br)N2CCC(CC2)N3C4=CC=CC=C4NC3=O,Brc1ccc(C(C)N2CCC(n3c([nH]c4c3cccc4)=O)CC2)cc1,"InChI=1S/C20H22BrN3O/c1-14(15-6-8-16(21)9-7-15)23-12-10-17(11-13-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-9,14,17H,10-13H2,1H3,(H,22,25)",CNOFBGYRMCBVLO-UHFFFAOYSA-N
BMGC_DG03438,BMG_DG090853,,C[C@@H]1COCCN1c2nc(-c3cncc4[nH]ccc43)nc(C5([S@@](=O)(=O)C)CC5)c2,,RIAAGYPMCVIWMN-CYBMUJFWSA-N
BMGC_DG03439,BMG_DG090866,CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)CCC(=O)O)C)CCC(=O)O)C)C(=C3C)CCC(=O)O)CCC(=O)O,,"InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)",VORBHEGMEBOMMB-UHFFFAOYSA-N
BMGC_DG03440,BMG_DG090869,C[C@H]1/C=C\C=C(/C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)O)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C6CCCC6)\C,,"InChI=1S/C45H62N4O11/c1-23-12-11-13-24(2)44(57)47-35-30(22-46-49-19-17-48(18-20-49)29-14-9-10-15-29)40(54)32-33(41(35)55)39(53)28(6)42-34(32)43(56)45(7,60-42)59-21-16-31(58-8)25(3)37(51)27(5)38(52)26(4)36(23)50/h11-13,16,21-23,25-27,29,31,36-38,50-55H,9-10,14-15,17-20H2,1-8H3,(H,47,57)/b12-11-,21-16?,24-13-,46-22+/t23-,25+,26+,27-,31-,36-,37+,38+,45-/m0/s1",LPUNEQQTZOWCNO-RHOJPPEBSA-N
BMGC_DG03441,BMG_DG090873,CC[C@@H](C)[C@@H](C(=O)N[C@H](C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H]([C@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC6=CN=CN6)N,,"InChI=1S/C148H224N40O45/c1-16-76(10)119(145(231)166-79(13)125(211)174-103(59-85-62-158-90-35-24-23-34-88(85)90)135(221)176-99(55-73(4)5)136(222)185-117(74(6)7)143(229)173-92(36-25-27-51-149)127(213)160-65-109(196)167-91(122(153)208)38-29-53-157-148(154)155)187-137(223)101(56-82-30-19-17-20-31-82)177-132(218)97(46-50-115(204)205)172-131(217)93(37-26-28-52-150)170-124(210)78(12)164-123(209)77(11)165-130(216)96(43-47-108(152)195)169-111(198)66-161-129(215)95(45-49-114(202)203)171-133(219)98(54-72(2)3)175-134(220)100(58-84-39-41-87(194)42-40-84)178-140(226)105(68-189)181-142(228)107(70-191)182-144(230)118(75(8)9)186-139(225)104(61-116(206)207)179-141(227)106(69-190)183-147(233)121(81(15)193)188-138(224)102(57-83-32-21-18-22-33-83)180-146(232)120(80(14)192)184-112(199)67-162-128(214)94(44-48-113(200)201)168-110(197)64-159-126(212)89(151)60-86-63-156-71-163-86/h17-24,30-35,39-42,62-63,71-81,89,91-107,117-121,158,189-194H,16,25-29,36-38,43-61,64-70,149-151H2,1-15H3,(H2,152,195)(H2,153,208)(H,156,163)(H,159,212)(H,160,213)(H,161,215)(H,162,214)(H,164,209)(H,165,216)(H,166,231)(H,167,196)(H,168,197)(H,169,198)(H,170,210)(H,171,219)(H,172,217)(H,173,229)(H,174,211)(H,175,220)(H,176,221)(H,177,218)(H,178,226)(H,179,227)(H,180,232)(H,181,228)(H,182,230)(H,183,233)(H,184,199)(H,185,222)(H,186,225)(H,187,223)(H,188,224)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H4,154,155,157)/t76-,77-,78-,79-,80+,81+,89+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,117+,118+,119+,120+,121+/m1/s1",JYDZPPZAYQTOIV-OTSUTHPESA-N
BMGC_DG03442,BMG_DG090886,CC(C)C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)NO)O)O,O[C@H]1[C@@H](O[C@@H]([C@H]1O)COC(C(C)C)=O)n2c(=O)[nH]/c(/cc2)=N\O,"InChI=1S/C13H19N3O7/c1-6(2)12(19)22-5-7-9(17)10(18)11(23-7)16-4-3-8(15-21)14-13(16)20/h3-4,6-7,9-11,17-18,21H,5H2,1-2H3,(H,14,15,20)/t7-,9-,10-,11-/m1/s1",HTNPEHXGEKVIHG-QCNRFFRDSA-N
BMGC_DG03443,BMG_DG090962,,c1(c(c(c2c(o1)cccc2)=O)OC)-c3ccccc3,,ZAIANDVQAMEDFL-UHFFFAOYSA-N
BMGC_DG03444,BMG_DG090967,CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[OH-].[Co+3],,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-3",YOZNUFWCRFCGIH-UHFFFAOYSA-K
BMGC_DG03445,BMG_DG091043,CCNS(=O)(=O)C1=CC=CC=C1NC2=NC=NC(=N2)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC,,"InChI=1S/C28H39N9O3S/c1-4-31-41(38,39)26-8-6-5-7-23(26)33-28-30-20-29-27(34-28)32-21-9-10-24(25(19-21)40-3)37-13-11-22(12-14-37)36-17-15-35(2)16-18-36/h5-10,19-20,22,31H,4,11-18H2,1-3H3,(H2,29,30,32,33,34)",YJUANBRSJHPDHJ-UHFFFAOYSA-N
BMGC_DG03446,BMG_DG091107,[H+].CC1=NC=C(C(=C1O)CN(CCN(CC2=C(C(=NC=C2COP(=O)([O-])[O-])C)O)CC(=O)[O-])CC(=O)[O-])COP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Mn+2],[Mn+2].O(Cc1cnc(C)c(O)c1CN(CCN(CC(=O)[O-])Cc2c(COP([O-])([O-])=O)cnc(C)c2O)CC([O-])=O)P([O-])(=O)[O-].[Na+].[H+].[Na+].[Na+],"InChI=1S/C22H32N4O14P2.Mn.3Na/c1-13-21(31)17(15(5-23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-18-16(12-40-42(36,37)38)6-24-14(2)22(18)32;;;;/h5-6,31-32H,3-4,7-12H2,1-2H3,(H,27,28)(H,29,30)(H2,33,34,35)(H2,36,37,38);;;;/q;+2;3*+1/p-5",BENFPBJLMUIGGD-UHFFFAOYSA-I
BMGC_DG03447,BMG_DG091163,C1[C@H]2C[C@H]2N[C@@H]1COC3=CN=C(C=C3)Cl.Cl,C(Oc1ccc(nc1)Cl)[C@@H]2C[C@@H]3[C@H](N2)C3.Cl,"InChI=1S/C11H13ClN2O.ClH/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8;/h1-2,5,7-8,10,14H,3-4,6H2;1H/t7-,8-,10+;/m0./s1",VZIQKVIAFWXNFL-ANYFZDTESA-N
BMGC_DG03448,BMG_DG091303,,CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN,,DTWANULJDRVTFI-UHFFFAOYSA-N
BMGC_DG03449,BMG_DG091307,,CCCCCCCCSCC(=O)C(F)(F)F,,WMQHRXUKAYSPPK-UHFFFAOYSA-N
BMGC_DG03450,BMG_DG091308,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC)OC,,"InChI=1S/C21H22O8/c1-23-12-8-7-11(9-13(12)24-2)18-21(28-6)17(22)16-14(25-3)10-15(26-4)19(27-5)20(16)29-18/h7-10H,1-6H3",XBZIUXVIWRAJKB-UHFFFAOYSA-N
BMGC_DG03451,BMG_DG091315,,O=C1c2c(-c3c(C1=O)c(C)co3)ccc4c2CCC[C@@]4(C(OC)=O)C,,YFDKIHAZVQFLRC-FQEVSTJZSA-N
BMGC_DG03452,BMG_DG091316,,,,
BMGC_DG03453,BMG_DG091341,CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4(C(C5[C@]6([C@@](C(C(=N6)C(=C7[C@@](C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co+2],,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+2;/p-2/t31?,34?,35?,36?,37?,41?,52?,53?,56?,57?,59-,60+,61+,62+;;/m1../s1",DQOCFCZRZOAIBN-AZCDKEHOSA-L
BMGC_DG03454,BMG_DG091345,CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4(C(C5[C@]6([C@@](C(C(=N6)C(=C7[C@@](C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-]C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3],,"InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+3/p-2/t31?,34?,35?,36?,37?,41?,52?,53?,56?,57?,59-,60+,61+,62+;;/m1../s1",OAJLVMGLJZXSGX-AZCDKEHOSA-L
BMGC_DG03455,BMG_DG091445,,CCC(=O)N(C1CCN(CC1)CC(F)c2ccccc2F)c3ccccc3,,HVODMMOXSRCMCA-UHFFFAOYSA-N
BMGC_DG03456,BMG_DG091509,C[C@H]1C2=CC=CC(=C2C[C@@H](N1C(=O)CC3=C(C=CC=C3Cl)Cl)CO)C4=CN(N=C4)C,,"InChI=1S/C23H23Cl2N3O2/c1-14-17-5-3-6-18(15-11-26-27(2)12-15)19(17)9-16(13-29)28(14)23(30)10-20-21(24)7-4-8-22(20)25/h3-8,11-12,14,16,29H,9-10,13H2,1-2H3/t14-,16+/m0/s1",MJDOWJUPBHLXIH-GOEBONIOSA-N
BMGC_DG03457,BMG_DG091522,CC(C)N1C2=C(C(=CC(=C2)C3=NC(=NC=C3Cl)N[C@@H]4CCOC[C@H]4O)F)N=C1C(C)(C)O,c1nc(N[C@@H]2CCOC[C@H]2O)nc(-c3cc4c(nc(n4C(C)C)C(C)(C)O)c(F)c3)c1Cl,"InChI=1S/C22H27ClFN5O3/c1-11(2)29-16-8-12(7-14(24)19(16)27-20(29)22(3,4)31)18-13(23)9-25-21(28-18)26-15-5-6-32-10-17(15)30/h7-9,11,15,17,30-31H,5-6,10H2,1-4H3,(H,25,26,28)/t15-,17-/m1/s1",QYJLBHRAPDJOSO-NVXWUHKLSA-N
BMGC_DG03458,BMG_DG091529,CC(C)(C#CC1=CC2=C(C=C1)OC[C@@H](C(=O)N2C)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4)O,c1c2c(N(C)C([C@H](CO2)NC(=O)c3n[nH]c(n3)Cc4ccccc4)=O)cc(c1)C#CC(C)(C)O,"InChI=1S/C25H25N5O4/c1-25(2,33)12-11-17-9-10-20-19(13-17)30(3)24(32)18(15-34-20)26-23(31)22-27-21(28-29-22)14-16-7-5-4-6-8-16/h4-10,13,18,33H,14-15H2,1-3H3,(H,26,31)(H,27,28,29)/t18-/m0/s1",SQBZJKIINNRUFC-SFHVURJKSA-N
BMGC_DG03459,BMG_DG091555,CC1=CC(=CC=C1)CN2C=C3C(=NC(=NC3=N2)C4=NSC=C4)N,,"InChI=1S/C16H14N6S/c1-10-3-2-4-11(7-10)8-22-9-12-14(17)18-16(19-15(12)20-22)13-5-6-23-21-13/h2-7,9H,8H2,1H3,(H2,17,18,19,20)",XCADTDINRZIVIN-UHFFFAOYSA-N
BMGC_DG03460,BMG_DG091556,C1=CC=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=NC(=CS4)C5=CC(=CC=C5)O,,"InChI=1S/C25H20N6O3S2/c32-18-8-4-7-17(13-18)19-14-35-24(28-19)29-20(33)15-36-25-30-22-21(26-10-11-27-22)23(34)31(25)12-9-16-5-2-1-3-6-16/h1-8,10-11,13-14,32H,9,12,15H2,(H,28,29,33)",KPWZZHNCABTUGN-UHFFFAOYSA-N
BMGC_DG03461,BMG_DG091560,COC1=CC(=CC2=C1C(=O)N(CC2)CC(F)(F)F)C3=CN=C4N3C=CC(=C4)OCCN5CCOCC5,c1c(OCCN2CCOCC2)ccn3c1ncc3-c4cc5CCN(CC(F)(F)F)C(c5c(c4)OC)=O,"InChI=1S/C25H27F3N4O4/c1-34-21-13-18(12-17-2-4-31(16-25(26,27)28)24(33)23(17)21)20-15-29-22-14-19(3-5-32(20)22)36-11-8-30-6-9-35-10-7-30/h3,5,12-15H,2,4,6-11,16H2,1H3",XASOHFCUIQARJT-UHFFFAOYSA-N
BMGC_DG03462,BMG_DG091567,,C(C(CNC(C)C)O)Oc1ccc(cc1)OCCOCC2CC2,,JNDJPKHYZWRRIS-UHFFFAOYSA-N
BMGC_DG03463,BMG_DG091595,,[nH]1c(c(c2cc(ccc12)Sc3ccccc3)C#N)N,,LHNIUFUSFGYJEO-UHFFFAOYSA-N
BMGC_DG03464,BMG_DG091615,C[C@H]1[C@H](C2(CCN(CC2)C3=C(C(=O)N(C(=N3)C)C4=C(C(=CC=C4)Cl)Cl)C)CO1)N,N[C@H]1C2(CCN(CC2)c3c(C)c(=O)n(c(n3)C)-c4c(Cl)c(Cl)ccc4)CO[C@H]1C,"InChI=1S/C21H26Cl2N4O2/c1-12-19(26-9-7-21(8-10-26)11-29-13(2)18(21)24)25-14(3)27(20(12)28)16-6-4-5-15(22)17(16)23/h4-6,13,18H,7-11,24H2,1-3H3/t13-,18+/m0/s1",ABKATOFAZUIEJX-SCLBCKFNSA-N
BMGC_DG03465,BMG_DG091617,,C1(c2c(cc(cc2)Cl)C(Cc3c1nccc3)O)=C4CCNCC4,,UEQNVDYYIWHWNX-UHFFFAOYSA-N
BMGC_DG03466,BMG_DG091618,,C1(c2c(cc(cc2)Cl)CC(c3c1nccc3)O)=C4CCNCC4,,LWCSUGDLKORNAJ-UHFFFAOYSA-N
BMGC_DG03467,BMG_DG091622,CC1=C2C(=C(C=C1)F)C=C(N2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CCN(CC4)C(=O)C,c1(c2c(c(F)cc1)cc(C(N[C@H]3C[C@H](CCC3)N4CCN(CC4)C(C)=O)=O)[nH]2)C,"InChI=1S/C22H29FN4O2/c1-14-6-7-19(23)18-13-20(25-21(14)18)22(29)24-16-4-3-5-17(12-16)27-10-8-26(9-11-27)15(2)28/h6-7,13,16-17,25H,3-5,8-12H2,1-2H3,(H,24,29)/t16-,17+/m1/s1",PGNLXEBQMQHFNK-SJORKVTESA-N
BMGC_DG03468,BMG_DG091624,CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C,c1(-c2cc3c([nH]c(n3)-c4ccc(OCC)cc4)cc2)nc5cc(N6CCN(C)CC6)ccc5[nH]1,"InChI=1S/C27H28N6O/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31)",PRDFBSVERLRRMY-UHFFFAOYSA-N
BMGC_DG03469,BMG_DG091628,,c1c2n(c(cc1)C3CCC4(CC3)CN(C4)C([C@@H]5CC5(F)F)=O)nc(n2)NC(=O)C6CC6,,ZOUHWHPRPDJDQE-HNNXBMFYSA-N
BMGC_DG03470,BMG_DG091634,,c1(C(OCCCCCCCC)=O)ccc(O)cc1,,RIKCMEDSBFQFAL-UHFFFAOYSA-N
BMGC_DG03471,BMG_DG091638,CCOC1=C(N=CC=C1)OC2=CN=CC(=C2)C3=NC=C(C=N3)C(=O)N[C@H]4C[C@@H](CNC4)F,c1cnc(c(c1)OCC)Oc2cncc(-c3ncc(cn3)C(N[C@H]4C[C@H](F)CNC4)=O)c2,"InChI=1S/C22H23FN6O3/c1-2-31-19-4-3-5-26-22(19)32-18-6-14(8-24-13-18)20-27-9-15(10-28-20)21(30)29-17-7-16(23)11-25-12-17/h3-6,8-10,13,16-17,25H,2,7,11-12H2,1H3,(H,29,30)/t16-,17-/m0/s1",CPBXJSPVZIPJMX-IRXDYDNUSA-N
BMGC_DG03472,BMG_DG091651,CC1=C(C=CC(=C1)NC2=NC=NC3=C2C(=C(C=C3)OC)O[C@@H]4CCN(CC4(F)F)C)OC5=CC6=NC=NN6C=N5,,"InChI=1S/C27H26F2N8O3/c1-16-10-17(4-6-19(16)39-23-11-22-31-14-34-37(22)15-33-23)35-26-24-18(30-13-32-26)5-7-20(38-3)25(24)40-21-8-9-36(2)12-27(21,28)29/h4-7,10-11,13-15,21H,8-9,12H2,1-3H3,(H,30,32,35)/t21-/m1/s1",PTKRHBXNNDLRPO-OAQYLSRUSA-N
BMGC_DG03473,BMG_DG091657,,Clc1ccc(OC)nc1C(N2[C@H]3CC[C@@H]2CN(Cc4n5c(nc4-c6ccc(cc6)C(C)C)nccc5)C3)=O,,VDKJCAWGDJJKNL-SZPZYZBQSA-N
BMGC_DG03474,BMG_DG091672,COC1=C(C2=C(C=C1)C=CC(=O)O2)O,COc1ccc2ccc(=O)oc2c1O,"InChI=1S/C10H8O4/c1-13-7-4-2-6-3-5-8(11)14-10(6)9(7)12/h2-5,12H,1H3",KIGCGZUAVODHMD-UHFFFAOYSA-N
BMGC_DG03475,BMG_DG091684,CCC(CC)C1=NC2=CC=NN2C(=C1)N[C@H]3CC[C@@H](C3)N,N(c1n2c(nc(c1)C(CC)CC)ccn2)[C@@H]3C[C@H](CC3)N,"InChI=1S/C16H25N5/c1-3-11(4-2)14-10-16(19-13-6-5-12(17)9-13)21-15(20-14)7-8-18-21/h7-8,10-13,19H,3-6,9,17H2,1-2H3/t12-,13-/m0/s1",VYKCLMALANGCDF-STQMWFEESA-N
BMGC_DG03476,BMG_DG091689,,O1[C@@H](CN(Cc2cnc(Oc3ccc(cc3F)C)cn2)CC1)C(NC)=O,,LTPRQGCLGGENCK-INIZCTEOSA-N
BMGC_DG03477,BMG_DG091709,,NC(N(c1ccccc1)c2ccccc2)=N,,MFHNAXHSHOCFEC-UHFFFAOYSA-N
BMGC_DG03478,BMG_DG091710,CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,[C@]1(c2c(cc(C#N)cc2)CO1)(c3ccc(F)cc3)CCCN(C)C,"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1",WSEQXVZVJXJVFP-FQEVSTJZSA-N
BMGC_DG03479,BMG_DG091731,C[C@@H](C1=C(C=CC(=O)N1)N2C=CC=N2)OC3=C(N=C4C=CC(=CC4=C3)F)N,c1(ccc(-n2nccc2)c([nH]1)[C@@H](Oc3c(nc4ccc(cc4c3)F)N)C)=O,"InChI=1S/C19H16FN5O2/c1-11(18-15(5-6-17(26)24-18)25-8-2-7-22-25)27-16-10-12-9-13(20)3-4-14(12)23-19(16)21/h2-11H,1H3,(H2,21,23)(H,24,26)/t11-/m0/s1",CLEFVPILGAPOTG-NSHDSACASA-N
BMGC_DG03480,BMG_DG091735,C1C(CN1CCOC2=CC=C(C=C2)[C@@H]3C4=C5C=CC(=CC5=NC=C4C6=C(O3)C=C(C=C6)C(F)(F)F)O)CF,c1cc(OCCN2CC(CF)C2)ccc1[C@]3(Oc4cc(C(F)(F)F)ccc4-c5cnc6cc(O)ccc6c53)[H],"InChI=1S/C29H24F4N2O3/c30-13-17-15-35(16-17)9-10-37-21-5-1-18(2-6-21)28-27-23-8-4-20(36)12-25(23)34-14-24(27)22-7-3-19(29(31,32)33)11-26(22)38-28/h1-8,11-12,14,17,28,36H,9-10,13,15-16H2/t28-/m1/s1",UVBQMXOKKDCBJN-MUUNZHRXSA-N
BMGC_DG03481,BMG_DG091759,CC1(CC[C@@H](CN1)NC2=NC=C(C(=N2)C3=CNC4=C3C=CC(=C4P(=O)(C)C)C#N)C(F)(F)F)C,c1nc(N[C@@H]2CNC(C)(C)CC2)nc(c1C(F)(F)F)-c3c4ccc(C#N)c(P(C)(=O)C)c4[nH]c3,"InChI=1S/C23H26F3N6OP/c1-22(2)8-7-14(10-30-22)31-21-29-12-17(23(24,25)26)18(32-21)16-11-28-19-15(16)6-5-13(9-27)20(19)34(3,4)33/h5-6,11-12,14,28,30H,7-8,10H2,1-4H3,(H,29,31,32)/t14-/m0/s1",JDJOUBVVSQDIRC-AWEZNQCLSA-N
BMGC_DG03482,BMG_DG091852,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3C(C([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-]C1[C@@H]([C@@H]([C@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3],,"InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+3/p-2/t31?,34-,35-,36-,37+,41-,52?,53?,56?,57+,59-,60+,61+,62+;4?,6-,7-,10-;/m10./s1",OAJLVMGLJZXSGX-VCABRDNDSA-L
BMGC_DG03483,BMG_DG091874,CC(C)C[C@@H](C(=O)N[C@@H](CC1CCNC1=O)C(O)S(=O)(=O)[O-])NC(=O)OCC2=CC=CC=C2,,"InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/p-1/t15?,16-,17-,20?/m0/s1",BSPZFJDYQHDZNR-ASPXRTSYSA-M
BMGC_DG03484,BMG_DG091893,CN(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3,N1(c2c(cccn2)Sc3c1cccc3)CCCN(C)C,"InChI=1S/C16H19N3S/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19/h3-5,7-10H,6,11-12H2,1-2H3",JTTAUPUMOLRVRA-UHFFFAOYSA-N
BMGC_DG03485,BMG_DG091902,,C([C@@H](C(O)=O)N)c1cccs1,,WTOFYLAWDLQMBZ-LURJTMIESA-N
BMGC_DG03486,BMG_DG091911,CN1CCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42,N1(c2c(cccc2)Sc3c1cccc3)CC4CN(C)CC4,"InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3",HTMIBDQKFHUPSX-UHFFFAOYSA-N
BMGC_DG03487,BMG_DG091947,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C[C@H](CC[C@H]34)O,[C@]12([C@]([C@]3([C@]([C@@]4(C(=C[C@@H](O)CC4)CC3)[H])([H])CC1)[H])(CC[C@]2(C#C)O)[H])C,"InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,14-18,21-22H,4-11H2,2H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1",JYILPERKVHXLNF-QMNUTNMBSA-N
BMGC_DG03488,BMG_DG091959,,S(c1sc2cc(O)ccc2c1)(=O)(=O)N,,XRZYWSVMYHEQPN-UHFFFAOYSA-N
BMGC_DG03489,BMG_DG091986,C[Se]C[C@@H](C(=O)O)N,OC([C@H](C[Se]C)N)=O,"InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",XDSSPSLGNGIIHP-VKHMYHEASA-N
BMGC_DG03490,BMG_DG092009,CC1C2CC3=C(C1(CCN2CCC4=CC=CC=C4)C)C=C(C=C3)O,,"InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3",ZQHYKVKNPWDQSL-UHFFFAOYSA-N
BMGC_DG03491,BMG_DG092010,,,,
BMGC_DG03492,BMG_DG092021,,S=c1[nH]nc(Cc2n[nH]c(=S)o2)o1,,FIBRGBFKOVAXHJ-UHFFFAOYSA-N
BMGC_DG03493,BMG_DG092027,,c1(cc(c2c(o1)ccc(c2)OC)=O)-c3ccccc3,,XZQLSABETMKIGG-UHFFFAOYSA-N
BMGC_DG03494,BMG_DG092040,C1=CC=C(C=C1)N2C3=CC=CC=C3C(=NC4=CC=CC(=C4)C(F)(F)F)C2=O,O=C1/C(=N/c2cccc(C(F)(F)F)c2)/c3ccccc3N1c4ccccc4;c1c(cccc1)N2C(/C(/c3c2cccc3)=N\c4cc(C(F)(F)F)ccc4)=O,"InChI=1S/C21H13F3N2O/c22-21(23,24)14-7-6-8-15(13-14)25-19-17-11-4-5-12-18(17)26(20(19)27)16-9-2-1-3-10-16/h1-13H",TXCGMRVPXUBHAL-NCELDCMTSA-N;TXCGMRVPXUBHAL-UHFFFAOYSA-N;TXCGMRVPXUBHAL-PLRJNAJWSA-N
BMGC_DG03495,BMG_DG092045,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3[N-]2)OCCCOC.[Na+],c1([n-]c2ccccc2n1)[S+](Cc3c(c(OCCCOC)ccn3)C)[O-].[Na+],"InChI=1S/C18H20N3O3S.Na/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;/h3-4,6-9H,5,10-12H2,1-2H3;/q-1;+1",KRCQSTCYZUOBHN-UHFFFAOYSA-N
BMGC_DG03496,BMG_DG092072,COC1=CC=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O,,"InChI=1S/C16H14O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-8,14,17H,9H2,1H3",INYISIYHXQDCPK-UHFFFAOYSA-N
BMGC_DG03497,BMG_DG092097,COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,,"InChI=1S/C22H24O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,15,17,19-25,27-29H,7-8H2,1H3/t15-,17+,19+,20-,21+,22+/m0/s1",ADSYMQORONDIDD-ZJHVPRRPSA-N
BMGC_DG03498,BMG_DG092099,C1=CC=NC(=C1)C2=CC=CC=N2,n1c(-c2ncccc2)cccc1,InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H,ROFVEXUMMXZLPA-UHFFFAOYSA-N
BMGC_DG03499,BMG_DG092117,CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,,"InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19+,20-,21-/m1/s1",DGQLVPJVXFOQEV-NGOCYOHBSA-N
BMGC_DG03500,BMG_DG092132,CC1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)O)C,c12C(CCSc1ccc(C#Cc3ncc(cc3)C(=O)O)c2)(C)C,"InChI=1S/C19H17NO2S/c1-19(2)9-10-23-17-8-4-13(11-16(17)19)3-6-15-7-5-14(12-20-15)18(21)22/h4-5,7-8,11-12H,9-10H2,1-2H3,(H,21,22)",IQIBKLWBVJPOQO-UHFFFAOYSA-N
BMGC_DG03501,BMG_DG092140,C(C(COP(=O)([O-])[O-])O)O.[Na+].[Na+],P([O-])([O-])(OCC(O)CO)=O.[Na+].[Na+],"InChI=1S/C3H9O6P.2Na/c4-1-3(5)2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2",GEKBIENFFVFKRG-UHFFFAOYSA-L
BMGC_DG03502,BMG_DG092162,CCCCCC1=C(C=C(C=C1)C)O,c1(c(ccc(c1)C)CCCCC)O,"InChI=1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3",CKGWFZQGEQJZIL-UHFFFAOYSA-N
BMGC_DG03503,BMG_DG092201,,CCc1ccc(NC(=N)Nc2ccc(CC)cc2)cc1,,DXGARAMIKHFTJV-UHFFFAOYSA-N
BMGC_DG03504,BMG_DG092202,,N=C(NC12CC3CC(CC(C3)C1)C2)Nc4ccccc4C,,ORZBZECEAOIBIX-UHFFFAOYSA-N
BMGC_DG03505,BMG_DG092209,C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(=O)O7)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O,,"InChI=1S/C24H30O3.C20H24O2/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24;1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3;1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+;16-,17-,18+,19+,20+/m11/s1",JLQFVGYYVXALAG-CFEVTAHFSA-N
BMGC_DG03506,BMG_DG092231,,,,
BMGC_DG03507,BMG_DG092261,O=[Mg],,InChI=1S/Mg.O,CPLXHLVBOLITMK-UHFFFAOYSA-N
BMGC_DG03508,BMG_DG092269,[OH-].[K+],[OH-].[K+],InChI=1S/K.H2O/h;1H2/q+1;/p-1,KWYUFKZDYYNOTN-UHFFFAOYSA-M
BMGC_DG03509,BMG_DG092270,[OH-].[Na+],[OH-].[Na+],InChI=1S/Na.H2O/h;1H2/q+1;/p-1,HEMHJVSKTPXQMS-UHFFFAOYSA-M
BMGC_DG03510,BMG_DG092287,O=[Zn],,InChI=1S/O.Zn,XLOMVQKBTHCTTD-UHFFFAOYSA-N
BMGC_DG03511,BMG_DG092304,COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)[N+](=O)[O-],[C@@]12([C@@]([C@H](c3cc(OC)c(c(c3)OC)O)c4c([C@H]1Nc5ccc([N+]([O-])=O)cc5)cc6OCOc6c4)(C(=O)OC2)[H])[H],"InChI=1S/C27H24N2O9/c1-34-21-7-13(8-22(35-2)26(21)30)23-16-9-19-20(38-12-37-19)10-17(16)25(18-11-36-27(31)24(18)23)28-14-3-5-15(6-4-14)29(32)33/h3-10,18,23-25,28,30H,11-12H2,1-2H3/t18-,23+,24-,25+/m0/s1",DLROLUIVVKTFPW-LVEBQJTPSA-N
BMGC_DG03512,BMG_DG092309,C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,n1c(c2nc(CC(c3ccc(C(N[C@H](C(=O)O)CCC(=O)O)=O)cc3)CC#C)cnc2nc1N)N,"InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1",OGSBUKJUDHAQEA-WMCAAGNKSA-N
BMGC_DG03513,BMG_DG092310,CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O.O.O.O,c1(ccccc1)[C@H](NC(OC(C)(C)C)=O)[C@H](C(O[C@@H]2C(=C3[C@H](C([C@]4([C@@]([C@@]5(CO[C@@]5(C[C@@H]4O)[H])OC(=O)C)([C@@H]([C@@](C2)(O)C3(C)C)OC(=O)c6ccccc6)[H])C)=O)O)C)=O)O.O.O.O,"InChI=1S/C43H53NO14.3H2O/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45;;;/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52);3*1H2/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+;;;/m0.../s1",XCDIRYDKECHIPE-QHEQPUDQSA-N
BMGC_DG03514,BMG_DG092311,CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O,[C@@]12([C@@]([C@@]3(CO[C@@H]3C[C@@H]1O)OC(=O)C)([C@@H]([C@@]4(C[C@@H](C(=C([C@H](C2=O)O)C4(C)C)C)OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)c5ccccc5)O)=O)O)OC(=O)c6ccccc6)[H])C,"InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1",ZDZOTLJHXYCWBA-VCVYQWHSSA-N
BMGC_DG03515,BMG_DG092318,,,,
BMGC_DG03516,BMG_DG092321,,Cc1cccc2c1CCNC2=O,,RLLZPXDJYADIEU-UHFFFAOYSA-N
BMGC_DG03517,BMG_DG092339,CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](CC1)(C)C,P([O-])(OC1CC[N+](CC1)(C)C)(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3",SZFPYBIJACMNJV-UHFFFAOYSA-N
BMGC_DG03518,BMG_DG092342,C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2,C(N1CCCCC1)(c2cc3nccnc3cc2)=O,"InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2",ANDGGVOPIJEHOF-UHFFFAOYSA-N
BMGC_DG03519,BMG_DG092345,CC1=C(C2=C(C3(CC3)[C@@](C(=O)C2=C1)(C)O)C)CO,C12(C(=C3C(=C(C)C=C3C([C@@]1(O)C)=O)CO)C)CC2,"InChI=1S/C15H18O3/c1-8-6-10-12(11(8)7-16)9(2)15(4-5-15)14(3,18)13(10)17/h6,16,18H,4-5,7H2,1-3H3/t14-/m0/s1",NICJCIQSJJKZAH-AWEZNQCLSA-N
BMGC_DG03520,BMG_DG092349,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,C([C@@H](NC(=O)OC)C(C)(C)C)(NN(C[C@@H]([C@@H](NC([C@@H](NC(=O)OC)C(C)(C)C)=O)Cc1ccccc1)O)Cc2ccc(cc2)-c3ncccc3)=O,"InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1",AXRYRYVKAWYZBR-GASGPIRDSA-N
BMGC_DG03521,BMG_DG092350,CN1C=NC=C1C(C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N,,"InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3",PLHJCIYEEKOWNM-UHFFFAOYSA-N
BMGC_DG03522,BMG_DG092351,C1CN(CCC1CC(=O)N2CCC(CC2)[C@@H]3C4=C(CCC5=C3N=CC(=C5)Br)C=C(C=C4Br)Cl)C(=O)N,[C@H]1(c2c(cc(Cl)cc2CCc3c1ncc(Br)c3)Br)C4CCN(C(CC5CCN(C(=O)N)CC5)=O)CC4,"InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1",DHMTURDWPRKSOA-RUZDIDTESA-N
BMGC_DG03523,BMG_DG092353,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O,c1cn([C@H]2[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@H](n4ccc(=O)[nH]c4=O)O3)O)O)O2)O)O)c(=O)[nH]c1=O,"InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1",NMLMACJWHPHKGR-NCOIDOBVSA-N
BMGC_DG03524,BMG_DG092354,C1=CC(=CC=C1OCCCCCCN=C(NC#N)NC2=CC=NC=C2)Cl,N(C#N)C(=Nc1ccncc1)NCCCCCCOc2ccc(cc2)Cl,"InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)",BOIPLTNGIAPDBY-UHFFFAOYSA-N
BMGC_DG03525,BMG_DG092358,C1=CN(C=N1)C2=C(C=C3C(=C2)N(C(=O)C(=O)N3)CC(=O)O)[N+](=O)[O-],n1(c(c(=O)[nH]c2c1cc(c([N+]([O-])=O)c2)-n3cncc3)=O)CC(=O)O,"InChI=1S/C13H9N5O6/c19-11(20)5-17-8-4-9(16-2-1-14-6-16)10(18(23)24)3-7(8)15-12(21)13(17)22/h1-4,6H,5H2,(H,15,21)(H,19,20)",SPXYHZRWPRQLNS-UHFFFAOYSA-N
BMGC_DG03526,BMG_DG092359,COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4NC(=O)C5=CC6=CC=CC=C6N=C5)OC)OC)OC,c1(c(NC(=O)c2cc3ccccc3nc2)cc(c(c1)OC)OC)C(=O)Nc4ccc(cc4)CCN5Cc6cc(OC)c(cc6CC5)OC,"InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)",LGGHDPFKSSRQNS-UHFFFAOYSA-N
BMGC_DG03527,BMG_DG092360,CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CC[Si](C)(C)C)O,n12c(-c3nc4ccccc4c(c3C1)CC[Si](C)(C)C)cc5c(c2=O)COC(=O)[C@]5(O)CC,"InChI=1S/C25H28N2O4Si/c1-5-25(30)19-12-21-22-17(13-27(21)23(28)18(19)14-31-24(25)29)15(10-11-32(2,3)4)16-8-6-7-9-20(16)26-22/h6-9,12,30H,5,10-11,13-14H2,1-4H3/t25-/m0/s1",POADTFBBIXOWFJ-VWLOTQADSA-N
BMGC_DG03528,BMG_DG092364,C1C[C@H]2CN(C(=O)C3=CC=CC(=C23)C1)[C@@H]4CN5CCC4CC5,C1N2CCC(C1)[C@@H](C2)N3C[C@@]4([H])c5c(cccc5C3=O)CCC4,"InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17+/m0/s1",CPZBLNMUGSZIPR-DOTOQJQBSA-N
BMGC_DG03529,BMG_DG092368,C[C@H](CC1=CC=C(C=C1)OCC(=O)OC)NC[C@@H](C2=CC(=CC=C2)Cl)O,,"InChI=1S/C20H24ClNO4/c1-14(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-13-20(24)25-2/h3-9,11,14,19,22-23H,10,12-13H2,1-2H3/t14-,19+/m1/s1",ZFLBZHXQAMUEFS-KUHUBIRLSA-N
BMGC_DG03530,BMG_DG092409,C1=C(C=C(C(=C1Br)O)Br)Br,c1(c(cc(Br)cc1Br)Br)O,"InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H",BSWWXRFVMJHFBN-UHFFFAOYSA-N
BMGC_DG03531,BMG_DG092432,,O=C(CS(=O)(=O)c1ccccc1)c2ccc(F)cc2,,FCXNRTNBPQUTBL-UHFFFAOYSA-N
BMGC_DG03532,BMG_DG092487,,CCCCCCCCCCC[C@@H](C[C@H]1[C@H](CCCCCC)C(=O)O1)OC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2,,OITCZADOYPEICM-YRCZKMHPSA-N
BMGC_DG03533,BMG_DG092489,,CC(C)(C)Nc1nc(N)c(C(=O)c2ccccc2)s1,,KEHNGAHNKVLUSC-UHFFFAOYSA-N
BMGC_DG03534,BMG_DG092542,CCCCOCCOC(=O)C1=CN=CC=C1,C(c1cnccc1)(=O)OCCOCCCC,"InChI=1S/C12H17NO3/c1-2-3-7-15-8-9-16-12(14)11-5-4-6-13-10-11/h4-6,10H,2-3,7-9H2,1H3",IZJRISIINLJVBU-UHFFFAOYSA-N
BMGC_DG03535,BMG_DG092551,,c1(C(Nc2ccccc2)=O)c(ccc(c1)Cl)O,,KGYNGVVNFRUOOZ-UHFFFAOYSA-N
BMGC_DG03536,BMG_DG092561,,c1(ccc2c(o1)cc(c(c2OC)OC)OC)=O,,FOBNRKTURPWTQX-UHFFFAOYSA-N
BMGC_DG03537,BMG_DG092566,,N1c2c3c(c4c(c2)cccc4)c5c(cc3C1=O)OCO5,,KPVDACWQNCRKTG-UHFFFAOYSA-N
BMGC_DG03538,BMG_DG092572,,c1(cc(c2c(o1)cc(c(c2)OC(=O)C)OC(=O)C)C)=O,,JMRACYBIVVGICX-UHFFFAOYSA-N
BMGC_DG03539,BMG_DG092598,,c1ccc(c(c1)OC)N2CCN(CC2)CCCNC(c3cccc4c3oc(c(c4=O)C)-c5ccccc5)=O,,DUCNHKDCVVSJLG-UHFFFAOYSA-N
BMGC_DG03540,BMG_DG092616,CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC,,"InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1",ZQBULZYTDGUSSK-KRWDZBQOSA-N
BMGC_DG03541,BMG_DG092617,[O-2].[O-2].[O-2].[As+3].[As+3],,InChI=1S/2As.3O/q2*+3;3*-2,QTLQKAJBUDWPIB-UHFFFAOYSA-N
BMGC_DG03542,BMG_DG092620,,C(OS(=O)(=O)N)CCCOS(N)(=O)=O,,XHCZRWMTVBHWQT-UHFFFAOYSA-N
BMGC_DG03543,BMG_DG092645,CC1(C2CCC(=C)C1C2)C,,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3",WTARULDDTDQWMU-UHFFFAOYSA-N
BMGC_DG03544,BMG_DG092652,,C=CC(=O)c1ccc(CCCCCC)cc1,,IINHTEWASPUCMH-UHFFFAOYSA-N
BMGC_DG03545,BMG_DG092683,C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O,n12cc(c(=O)c3c2c(c(N4CCN(CC4)C)c(c3)F)OC[C@@H]1C)C(=O)O,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1",GSDSWSVVBLHKDQ-JTQLQIEISA-N
BMGC_DG03546,BMG_DG092684,C1=CC(=C(C=C1O)O)C(=O)O,c1(c(cc(O)cc1)O)C(O)=O,"InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)",UIAFKZKHHVMJGS-UHFFFAOYSA-N
BMGC_DG03547,BMG_DG092691,,C1(C(C(=C(O)c2c1c3c(cc2)c(ccc3)C)C(CO)C)=O)=O,,GRGPQNRHXNRJFL-UHFFFAOYSA-N
BMGC_DG03548,BMG_DG092697,F,F,InChI=1S/FH/h1H,KRHYYFGTRYWZRS-UHFFFAOYSA-N
BMGC_DG03549,BMG_DG092735,C(C(CC(=O)O)C(=O)O)C(=O)O,C(CC(O)=O)(CC(O)=O)C(O)=O,"InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",KQTIIICEAUMSDG-UHFFFAOYSA-N
BMGC_DG03550,BMG_DG092744,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O,c1([N+]([O-])=O)cc([N+]([O-])=O)ccc1O,"InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H",UFBJCMHMOXMLKC-UHFFFAOYSA-N
BMGC_DG03551,BMG_DG092752,,,,
BMGC_DG03552,BMG_DG092789,,,,
BMGC_DG03553,BMG_DG092818,CC(C)C1=CC=CC=C1[C@@H]2CCCN2C3CC4(C3)CCN(CC4)C5=CC(=C(C=C5)C(=O)NS(=O)(=O)C6=CC(=C(C=C6)NCC7CCC(CC7)(C)O)[N+](=O)[O-])OC8=CN=C9C(=C8)C=CN9,C(C)(C)c1c([C@H]2N(C3CC4(C3)CCN(CC4)c5cc(Oc6cc7c(nc6)[nH]cc7)c(C(NS(=O)(=O)c8cc([N+]([O-])=O)c(NC[C@@H]9CC[C@@](C)(O)CC9)cc8)=O)cc5)CCC2)cccc1,"InChI=1S/C49H59N7O7S/c1-32(2)39-7-4-5-8-40(39)43-9-6-22-55(43)36-28-49(29-36)19-23-54(24-20-49)35-10-12-41(45(26-35)63-37-25-34-16-21-50-46(34)52-31-37)47(57)53-64(61,62)38-11-13-42(44(27-38)56(59)60)51-30-33-14-17-48(3,58)18-15-33/h4-5,7-8,10-13,16,21,25-27,31-33,36,43,51,58H,6,9,14-15,17-20,22-24,28-30H2,1-3H3,(H,50,52)(H,53,57)/t33?,43-,48?/m0/s1",ZQTKOYMWCCSKON-HCWAPQBJSA-N;ZQTKOYMWCCSKON-XKXNWSITSA-N
BMGC_DG03554,BMG_DG092820,CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C,C(CC(C)C)(=O)O[C@H]1[C@@H](OC([C@H]([C@H](OC([C@@H]1CCCCCC)=O)C)NC(c2c(c(ccc2)NC=O)O)=O)=O)C,"InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1",UIFFUZWRFRDZJC-SBOOETFBSA-N
BMGC_DG03555,BMG_DG092843,C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O,[C@H]12NC([C@H](NC([C@@H]3NC([C@@H](NC([C@H](NC([C@@H](CC(C)C)NC)=O)[C@@H](c4cc(c(Oc5cc3cc(c5O[C@H]6[C@@]([C@H]([C@H](O)[C@H](O6)CO)O)(O[C@H]7C[C@@](N)(C)[C@@H]([C@@H](O7)C)O)[H])Oc8ccc([C@H]1O)cc8Cl)cc4)Cl)O)=O)CC(=O)N)=O)=O)c9cc(-c%10c([C@H](NC2=O)C(=O)O)cc(cc%10O)O)c(O)cc9)=O,"InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1",MYPYJXKWCTUITO-LYRMYLQWSA-N
BMGC_DG03556,BMG_DG092845,,C=CCn1c(=O)[nH]c2nc[nH]c2c1=O,,IPKIKTHDWDXHPU-UHFFFAOYSA-N
BMGC_DG03557,BMG_DG092846,C[C@@H]1[C@@H]([C@](C[C@H](O1)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H](C(C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O.Cl,,"InChI=1S/C66H75Cl2N9O24.ClH/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92;/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95);1H/t24-,34-,35+,42+,44-,46-,47-,48-,49?,50+,51-,52-,53+,54-,56+,57+,65-,66-;/m1./s1",LCTORFDMHNKUSG-GXOKSPCMSA-N
BMGC_DG03558,BMG_DG092864,C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N,O[C@H]1[C@H](n2c3c(c(c2)C(N)=O)c(N)ncn3)O[C@@H]([C@H]1O)CO,"InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1",OBZJZDHRXBKKTJ-JTFADIMSSA-N
BMGC_DG03559,BMG_DG092866,CCCCCC[C@@H]([C@@H](C)O)N1C=NC2=C(N=CN=C21)N,,"InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m1/s1",IOSAAWHGJUZBOG-MNOVXSKESA-N
BMGC_DG03560,BMG_DG092867,,,,
BMGC_DG03561,BMG_DG092878,C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O,[C@]12(C(C=C3[C@](CC[C@@]4([C@]3(C[C@](CC4)(C(O)=O)C)[H])C)(C)[C@@]2(CC[C@@]5([C@@]1(CC[C@@H](C5(C)C)O[C@@]6([C@H](O[C@@]7(O[C@@H]([C@@H](O)[C@@H]([C@H]7O)O)C(O)=O)[H])[C@H]([C@H](O)[C@H](O6)C(O)=O)O)[H])C)[H])C)=O)[H],"InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1",LPLVUJXQOOQHMX-QWBHMCJMSA-N
BMGC_DG03562,BMG_DG092882,CC1=C(C2=C(CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C1O)C)C,c12c(c(C)c(c(c1C)C)O)CC[C@](O2)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C,"InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1",GVJHHUAWPYXKBD-IEOSBIPESA-N
BMGC_DG03563,BMG_DG092889,CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)CO,C=12[C@](N(C)C[C@@H](C1)CO)(Cc3c4c2cccc4[nH]c3)[H],"InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1",BIXJFIJYBLJTMK-MEBBXXQBSA-N
BMGC_DG03564,BMG_DG092894,C[N+](C)([11CH3])CCO.[Cl-],[Cl-].[11CH3][N+](C)(C)CCO,"InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i1-1;",SGMZJAMFUVOLNK-ULWFUOSBSA-M
BMGC_DG03565,BMG_DG092911,,[C@H](NC(CCCCCCCCCCCCCCC)=O)(CC(C)C)C(O)=O,,UEWVQOCQZFYTBW-FQEVSTJZSA-N
BMGC_DG03566,BMG_DG092916,CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N,,"InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19)",HWODCHXORCTEGU-UHFFFAOYSA-N
BMGC_DG03567,BMG_DG092936,CCCOC(=O)CC1=CC(=C(C=C1)OCC(=O)N(CC)CC)OC,C(N(CC)CC)(COc1c(cc(cc1)CC(=O)OCCC)OC)=O,"InChI=1S/C18H27NO5/c1-5-10-23-18(21)12-14-8-9-15(16(11-14)22-4)24-13-17(20)19(6-2)7-3/h8-9,11H,5-7,10,12-13H2,1-4H3",KEJXLQUPYHWCNM-UHFFFAOYSA-N
BMGC_DG03568,BMG_DG092938,,c1ccc(cc1)CNC(=N)NC(=N)N,,IBWXAMPUVRBFIS-UHFFFAOYSA-N
BMGC_DG03569,BMG_DG092960,,CN(C)CCc1c[nH]c2ccc3OCCCc3c12,,RMMYVKPVLLBYDW-UHFFFAOYSA-N
BMGC_DG03570,BMG_DG092981,C[C@H]1CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C)C,[C@]12([C@@]3([C@]([C@@]4(CC[C@@H]([C@]4(CC3)C)O)[H])(CC[C@]1(CC(C[C@@H]2C)=O)[H])[H])[H])C,"InChI=1S/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3/t12-,13-,15-,16-,17-,18-,19-,20-/m0/s1",UXYRZJKIQKRJCF-TZPFWLJSSA-N
BMGC_DG03571,BMG_DG092984,,Nc1ccc(S(N)(=O)=O)cc1Cl,,LFIOFZKZCDMGFG-UHFFFAOYSA-N
BMGC_DG03572,BMG_DG092985,,C1[C@@H](CN)[C@H]1C(=O)O,,QUFMERRXRMSAPZ-IMJSIDKUSA-N
BMGC_DG03573,BMG_DG092993,,CN(C)CCCNC(=O)c1cccc2c(N)c3c(cccc3)nc12,,VNWAULKXOPRJEL-UHFFFAOYSA-N
BMGC_DG03574,BMG_DG092996,,C=1(c2c(NC(CN1)=O)ccc([N+]([O-])=O)c2)c3c(C(F)(F)F)cccc3,,YXJKYWVZADCRMD-UHFFFAOYSA-N
BMGC_DG03575,BMG_DG092997,,O=C1COC1,,ROADCYAOHVSOLQ-UHFFFAOYSA-N
BMGC_DG03576,BMG_DG093016,C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O,C(C[C@H](O)c1ccc(F)cc1)[C@@H]2[C@H](N(C2=O)c3ccc(F)cc3)c4ccc(O)cc4,"InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1",OLNTVTPDXPETLC-XPWALMASSA-N
BMGC_DG03577,BMG_DG093021,,[C@]12([C@]([C@]3([C@@]([C@@]4(C(C[C@H](CC4)O)=CC3)C)(CC1)[H])[H])(C[C@H]([C@@H]2C(=O)C)C#N)[H])C,,VSBHRRMYCDQLJF-ZDNYCOCVSA-N
BMGC_DG03578,BMG_DG093054,,,,
BMGC_DG03579,BMG_DG093058,CC1=NC(=C2C(=N1)N=CN2)N,Cc1nc(c2c(n1)nc[nH]2)N,"InChI=1S/C6H7N5/c1-3-10-5(7)4-6(11-3)9-2-8-4/h2H,1H3,(H3,7,8,9,10,11)",SMADWRYCYBUIKH-UHFFFAOYSA-N
BMGC_DG03580,BMG_DG093091,C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)[C@@H](C)O,N12C(=C(S[C@H]3C[C@@H](C(Nc4cc(C(O)=O)ccc4)=O)NC3)[C@@H]([C@@]1([C@]([C@H](O)C)([H])C2=O)[H])C)C(=O)O,"InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1",JUZNIMUFDBIJCM-ANEDZVCMSA-N
BMGC_DG03581,BMG_DG093095,,C(=O)([C@@H](N)CCCCN)N[C@H](C(=O)O)CCCNC(=N)N,,NPBGTPKLVJEOBE-IUCAKERBSA-N
BMGC_DG03582,BMG_DG093127,,,,
BMGC_DG03583,BMG_DG093134,,N1([C@H](c2ccc(cc2)Cl)c3ccccc3)CCN(CC1)CCOCC(=O)O,,ZKLPARSLTMPFCP-NRFANRHFSA-N
BMGC_DG03584,BMG_DG093175,,,,
BMGC_DG03585,BMG_DG093176,C1=C(NC=N1)CC=O,O=CCc1cnc[nH]1,"InChI=1S/C5H6N2O/c8-2-1-5-3-6-4-7-5/h2-4H,1H2,(H,6,7)",MQSRGWNVEZRLDK-UHFFFAOYSA-N
BMGC_DG03586,BMG_DG093180,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O,C([C@@H]1[C@@H](O)C[C@@H](O1)n2c(=O)nc(N)cc2)OP(=O)(O)OP(=O)(O)O,"InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",FTDHDKPUHBLBTL-SHYZEUOFSA-N
BMGC_DG03587,BMG_DG093181,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)F,O=c1n([C@H]2[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O2)cc(F)c([nH]1)=O,"InChI=1S/C9H12FN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1",RNBMPPYRHNWTMA-UAKXSSHOSA-N
BMGC_DG03588,BMG_DG093196,CNCCC1=CNC2=C1C=C(C=C2)O,CNCCc1c[nH]c2ccc(O)cc12,"InChI=1S/C11H14N2O/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11/h2-3,6-7,12-14H,4-5H2,1H3",ASUSBMNYRHGZIG-UHFFFAOYSA-N
BMGC_DG03589,BMG_DG093202,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC,c1(c(c(=O)c2c(c(c(c(c2o1)OC)OC)OC)OC)OC)-c3cc(c(cc3)OC)OC,"InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3",SSXJHQZOHUYEGD-UHFFFAOYSA-N
BMGC_DG03590,BMG_DG093239,C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)N)C(=O)O,,"InChI=1S/C11H21N5O3/c12-7(3-1-5-15-11(13)14)9(17)16-6-2-4-8(16)10(18)19/h7-8H,1-6,12H2,(H,18,19)(H4,13,14,15)/t7-,8-/m0/s1",LQJAALCCPOTJGB-YUMQZZPRSA-N
BMGC_DG03591,BMG_DG093242,,O(C)c1ccc(cc1)C2(CCCCC2)N3CCCCC3,,MUZGGFNYVLGUFS-UHFFFAOYSA-N
BMGC_DG03592,BMG_DG093243,CCCCCCCCCCCCCCCC(=O)NCC(=O)O,OC(=O)CNC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)",KVTFEOAKFFQCCX-UHFFFAOYSA-N
BMGC_DG03593,BMG_DG093246,C1=CC(=CC=C1C(=O)NCC(=O)O)O,C(CNC(=O)c1ccc(cc1)O)(=O)O,"InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)",ZMHLUFWWWPBTIU-UHFFFAOYSA-N
BMGC_DG03594,BMG_DG093269,,N(c1c2c(cccc2)ccc1)CCN,,NULAJYZBOLVQPQ-UHFFFAOYSA-N
BMGC_DG03595,BMG_DG093271,C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)N,c1(C(=O)c2ccccc2)c(c(CC(=O)N)ccc1)N,"InChI=1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)",QEFAQIPZVLVERP-UHFFFAOYSA-N
BMGC_DG03596,BMG_DG093277,CC(=CCOC1=CC(=CC2=C1C=CC(=O)O2)OC)C,COc1cc(OCC=C(C)C)c2ccc(=O)oc2c1,"InChI=1S/C15H16O4/c1-10(2)6-7-18-13-8-11(17-3)9-14-12(13)4-5-15(16)19-14/h4-6,8-9H,7H2,1-3H3",HSJZJYCOXHKDBJ-UHFFFAOYSA-N
BMGC_DG03597,BMG_DG093281,COC1=C(C(=CC=C1)OC)C(=O)O,c1(c(cccc1OC)OC)C(O)=O,"InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)",MBIZFBDREVRUHY-UHFFFAOYSA-N
BMGC_DG03598,BMG_DG093282,C1CN(CCN1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42,c1cccc2Sc3ccccc3N(c21)CCCN4CCNCC4,"InChI=1S/C19H23N3S/c1-3-8-18-16(6-1)22(17-7-2-4-9-19(17)23-18)13-5-12-21-14-10-20-11-15-21/h1-4,6-9,20H,5,10-15H2",YWSUKAVVJWNXMP-UHFFFAOYSA-N
BMGC_DG03599,BMG_DG093283,,n1n[nH]c(n1)-c2cccnc2,,SECHDFHDDVELCV-UHFFFAOYSA-N
BMGC_DG03600,BMG_DG093288,,,,
BMGC_DG03601,BMG_DG093299,CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O,O1C([C@@](c2cc-3n(c(c2C1)=O)Cc4c5c6c(cc(c(c6CC[C@@H]5N)C)F)nc34)(CC)O)=O,"InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1",ZVYVPGLRVWUPMP-FYSMJZIKSA-N
BMGC_DG03602,BMG_DG093306,,,,
BMGC_DG03603,BMG_DG093310,,[C@@H](C(NCC(O)=O)=O)(CC(O)=O)N,,JHFNSBBHKSZXKB-VKHMYHEASA-N
BMGC_DG03604,BMG_DG093316,CC1=CC(=C(C=C1)NC2=C(C=CC=C2Cl)F)CC(=O)O,N(c1c(Cl)cccc1F)c2c(CC(=O)O)cc(cc2)C,"InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)",KHPKQFYUPIUARC-UHFFFAOYSA-N
BMGC_DG03605,BMG_DG093317,COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#N)OC3CCCC3,[C@@]1(c2cc(OC3CCCC3)c(cc2)OC)(C#N)CC[C@@H](C(=O)O)CC1,"InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)",CFBUZOUXXHZCFB-OYOVHJISSA-N;CFBUZOUXXHZCFB-UHFFFAOYSA-N
BMGC_DG03606,BMG_DG093318,CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6,N1(C(c2ccc(NC(c3c(-c4ccccc4)cccc3)=O)cc2)=O)c5c(-c6[nH]c(C)nc6CC1)cccc5,"InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)",IKENVDNFQMCRTR-UHFFFAOYSA-N
BMGC_DG03607,BMG_DG093319,CC(C)C1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C,S(C)(c1c(C(C)C)ccc(C(NC(N)=N)=O)c1)(=O)=O,"InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)",IWXNYAIICFKCTM-UHFFFAOYSA-N
BMGC_DG03608,BMG_DG093320,CC(C)C1=CN=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CC(=NC=C3)C4=NNN=N4)OCCO)OC5=CC=CC=C5OC,c1(ccc(cn1)C(C)C)S(=O)(=O)Nc2nc(nc(c2Oc3c(cccc3)OC)OCCO)-c4cc(ncc4)-c5nnn[nH]5,"InChI=1S/C27H27N9O6S/c1-16(2)18-8-9-22(29-15-18)43(38,39)34-26-23(42-21-7-5-4-6-20(21)40-3)27(41-13-12-37)31-24(30-26)17-10-11-28-19(14-17)25-32-35-36-33-25/h4-11,14-16,37H,12-13H2,1-3H3,(H,30,31,34)(H,32,33,35,36)",TUYWTLTWNJOZNY-UHFFFAOYSA-N
BMGC_DG03609,BMG_DG093328,CC(C)N(CCC1=CNC2=C1C=C(C=C2)OC)C(C)C,N(CCc1c[nH]c2ccc(cc12)OC)(C(C)C)C(C)C,"InChI=1S/C17H26N2O/c1-12(2)19(13(3)4)9-8-14-11-18-17-7-6-15(20-5)10-16(14)17/h6-7,10-13,18H,8-9H2,1-5H3",DNBPMBJFRRVTSJ-UHFFFAOYSA-N
BMGC_DG03610,BMG_DG093330,,,,
BMGC_DG03611,BMG_DG093332,C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4,c1(c2c(c(Cc3ccncc3)nn1)cccc2)Nc4ccc(cc4)Cl,"InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)",YCOYDOIWSSHVCK-UHFFFAOYSA-N
BMGC_DG03612,BMG_DG093339,,CN(C)CCC(c1ccccc1)c2ccccc2,,YHDCGYWZEFIUHE-UHFFFAOYSA-N
BMGC_DG03613,BMG_DG093345,,C([C@H](Cc1ccc(cc1)O)N)(=O)N,,PQFMNVGMJJMLAE-QMMMGPOBSA-N
BMGC_DG03614,BMG_DG093346,C(C(C(=O)O)F)NC(=O)N,NC(NCC(C(O)=O)F)=O,"InChI=1S/C4H7FN2O3/c5-2(3(8)9)1-7-4(6)10/h2H,1H2,(H,8,9)(H3,6,7,10)",FKTHAKABFGARQH-UHFFFAOYSA-N
BMGC_DG03615,BMG_DG093350,,O(C)c1c(OC)ccc(c1)/C=C/C(NCCC2CCN(CC2)Cc3ccccc3)=O,,KEKBOEROTGNXGK-PKNBQFBNSA-N
BMGC_DG03616,BMG_DG093354,C([C@H]([C@H](C(=O)CO)O)O)O,[C@H]([C@H](O)CO)(O)C(=O)CO,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m1/s1",ZAQJHHRNXZUBTE-NQXXGFSBSA-N
BMGC_DG03617,BMG_DG093362,COC1=C(C=CC(=C1)CC=O)O,C(Cc1cc(c(cc1)O)OC)=O,"InChI=1S/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3",GOQGGGANVKPMNH-UHFFFAOYSA-N
BMGC_DG03618,BMG_DG093366,,[C@H](NC(CN)=O)(CCSC)C(O)=O,,PFMUCCYYAAFKTH-YFKPBYRVSA-N
BMGC_DG03619,BMG_DG093369,CC[C@@H](C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C,C([C@@H](OC(=O)C)CC)(C[C@@H](N(C)C)C)(c1ccccc1)c2ccccc2,"InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1",XBMIVRRWGCYBTQ-AVRDEDQJSA-N
BMGC_DG03620,BMG_DG093380,,ClC(C(NCCCCCCCCNC(C(Cl)Cl)=O)=O)Cl,,FAOMZVDZARKPFJ-UHFFFAOYSA-N
BMGC_DG03621,BMG_DG093391,,CC(=O)Nc1ccc2c(c1)c3ccccc3[nH]2,,JWFQIJOWFMAEMA-UHFFFAOYSA-N
BMGC_DG03622,BMG_DG093397,COC1=CC=CC=C1N2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F,c1(N2CCN(CCCC(c3ccc(F)cc3)=O)CC2)c(cccc1)OC,"InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3",IRYFCWPNDIUQOW-UHFFFAOYSA-N
BMGC_DG03623,BMG_DG093401,,,,
BMGC_DG03624,BMG_DG093405,,C(Cc1c(cccc1)CN)(=O)O,,VLOIVYPDUSVCLZ-UHFFFAOYSA-N
BMGC_DG03625,BMG_DG093408,CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(=O)O,c12c(c(=O)n(c(n1C)=O)CCCC(=O)O)n(C)cn2,"InChI=1S/C11H14N4O4/c1-13-6-12-9-8(13)10(18)15(11(19)14(9)2)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)",WKASGTGXOGALBG-UHFFFAOYSA-N
BMGC_DG03626,BMG_DG093442,,,,
BMGC_DG03627,BMG_DG093452,C1[C@H](CN[C@@H]1C(=O)O)C(=O)O,,"InChI=1S/C6H9NO4/c8-5(9)3-1-4(6(10)11)7-2-3/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3-,4+/m1/s1",NRSBQSJHFYZIPH-DMTCNVIQSA-N
BMGC_DG03628,BMG_DG093457,,O(C)c1c2-c3c(cc4c(c3OC)OCO4)C[C@@H]([C@]([C@H](c2cc(c1OC)OC)OC(=O)c5ccccc5)(C)O)C,,UFCGDBKFOKKVAC-DSASHONVSA-N
BMGC_DG03629,BMG_DG093509,C1=CC(=C(C=C1C(C=O)O)O)O,,"InChI=1S/C8H8O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-4,8,10-12H",YUGMCLJIWGEKCK-UHFFFAOYSA-N
BMGC_DG03630,BMG_DG093513,CC(=O)C(=O)C1=CC(=C(C=C1OC)OC)OC,,"InChI=1S/C12H14O5/c1-7(13)12(14)8-5-10(16-3)11(17-4)6-9(8)15-2/h5-6H,1-4H3",UUZQHDNTPXKEID-UHFFFAOYSA-N
BMGC_DG03631,BMG_DG093539,,C[C@]12[C@@]3(C)C([C@]4([C@](CC3)(C)CCC(C4)(C)C)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)([C@](C(O)=O)(C)[C@@H](CC5)OC(C)=O)[H])[H],,IAWGZKRQDHPFCZ-OBHGTAHRSA-N
BMGC_DG03632,BMG_DG093546,,C(CCCB(O)O)[C@@]1(C(O)=O)NC[C@H](N)C1,,SHQWTXRBVVLSOY-VXNVDRBHSA-N
BMGC_DG03633,BMG_DG093568,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2O)O[C@H]3C[C@@](CC4=C3C(=C5C(=C4O)C(=O)C6=CC=CC=C6C5=O)O)(C(=O)CO)O)C)N)O,O[C@H]1C[C@@](O[C@H]([C@H]1O[C@@]2([H])C[C@H](N)[C@H](O)[C@@H](O2)C)C)(O[C@@H]3c4c(c5C(c6ccccc6C(c5c(O)c4C[C@](C3)(C(CO)=O)O)=O)=O)O)[H],"InChI=1S/C32H37NO13/c1-12-26(37)17(33)7-21(43-12)46-31-13(2)44-22(8-18(31)35)45-19-10-32(42,20(36)11-34)9-16-23(19)30(41)25-24(29(16)40)27(38)14-5-3-4-6-15(14)28(25)39/h3-6,12-13,17-19,21-22,26,31,34-35,37,40-42H,7-11,33H2,1-2H3/t12-,13-,17-,18-,19-,21-,22-,26+,31+,32-/m0/s1",VQHRZZISQVWPLK-UIRGBLDSSA-N
BMGC_DG03634,BMG_DG093569,CC(CC1=CC=C(C=C1)SC)N,NC(C)Cc1ccc(cc1)SC,"InChI=1S/C10H15NS/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3",OLEWMKVPSUCNLG-UHFFFAOYSA-N
BMGC_DG03635,BMG_DG093571,C(C(=O)[O-])N.C(C(=O)[O-])N.[Zn+2],C([O-])(=O)CN.[Zn+2].C([O-])(=O)CN,"InChI=1S/2C2H5NO2.Zn/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2",UOXSXMSTSYWNMH-UHFFFAOYSA-L
BMGC_DG03636,BMG_DG093576,C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].[Cr+3],[Cr+3].c1cnc(C(=O)[O-])cc1.c1cnc(C(=O)[O-])cc1.c1cnc(C(=O)[O-])cc1,"InChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-3-1-2-4-7-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3",CBDQOLKNTOMMTL-UHFFFAOYSA-K
BMGC_DG03637,BMG_DG093611,CC(C)OC(=O)[C@@H](CC1=NC=CC=N1)OC(=O)NC2=C3CCCC3=CC4=C2CCC4,N(C(O[C@H](Cc1ncccn1)C(OC(C)C)=O)=O)c2c3c(cc4c2CCC4)CCC3,"InChI=1S/C23H27N3O4/c1-14(2)29-22(27)19(13-20-24-10-5-11-25-20)30-23(28)26-21-17-8-3-6-15(17)12-16-7-4-9-18(16)21/h5,10-12,14,19H,3-4,6-9,13H2,1-2H3,(H,26,28)/t19-/m1/s1",UMUQEMHROZVOTF-LJQANCHMSA-N
BMGC_DG03638,BMG_DG093612,,[nH]1cnc2n(c(n(c(c12)=O)CCC(C)C)=O)CC(C)C,,HRWQHFZQHIUCCC-UHFFFAOYSA-N
BMGC_DG03639,BMG_DG093626,C[C@]12CCC(=O)C=C1[C@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CO)C)O)F,[C@@]12([C@@]3([C@@]([C@@]4(C[C@H](F)C=5[C@@]([C@]4([C@H](C3)O)[H])(CCC(=O)C5)C)[H])([H])C[C@]1(OC(O2)(C)C)[H])C)C(=O)CO,"InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1",POPFMWWJOGLOIF-XWCQMRHXSA-N
BMGC_DG03640,BMG_DG093629,,,,
BMGC_DG03641,BMG_DG093640,C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],c1(-c2ccc([N+](=O)[O-])cc2)ccc([N+](=O)[O-])cc1,InChI=1S/C12H8N2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,BDLNCFCZHNKBGI-UHFFFAOYSA-N
BMGC_DG03642,BMG_DG093692,,,,
BMGC_DG03643,BMG_DG093696,,c1(C[C@@H](C(O)=O)NC(=O)/C=C/c2cc(c(cc2)O)O)ccccc1,,QPJDGIIOGMCKTH-KGXGESDWSA-N
BMGC_DG03644,BMG_DG093705,,O=C1C=CC(=O)c2[nH]ccc12,,QMRIWYCCTCNABA-UHFFFAOYSA-N
BMGC_DG03645,BMG_DG093707,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,,"InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1",GACTWZZMVMUKNG-SLPGGIOYSA-N
BMGC_DG03646,BMG_DG093723,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2,N(Cc1ccccc1)CCNCc2ccccc2.N12[C@@](SC([C@@H]1C(=O)O)(C)C)([H])[C@H](NC(=O)Cc3ccccc3)C2=O.N12[C@@](SC([C@@H]1C(=O)O)(C)C)([H])[C@H](NC(=O)Cc3ccccc3)C2=O,"InChI=1S/2C16H18N2O4S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12+,14-;/m11./s1",BVGLIYRKPOITBQ-ANPZCEIESA-N
BMGC_DG03647,BMG_DG093730,CC1(C=CC2=C(O1)C=CC(=C2O)C3=CC4=C(O3)C=C(C=C4)O)C,c12OC(C=Cc1c(c(cc2)-c3cc4c(o3)cc(O)cc4)O)(C)C,"InChI=1S/C19H16O4/c1-19(2)8-7-14-15(23-19)6-5-13(18(14)21)17-9-11-3-4-12(20)10-16(11)22-17/h3-10,20-21H,1-2H3",AOVQEAUIBICOLQ-UHFFFAOYSA-N
BMGC_DG03648,BMG_DG093761,,c1(cc(=O)c2c(c(c(cc2o1)OC)OC)O)-c3cc(c(cc3)OC)OC,,QEWSAPKRFOFQIU-UHFFFAOYSA-N
BMGC_DG03649,BMG_DG093763,C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O,,"InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/t2-/m0/s1",IXZNKTPIYKDIGG-REOHCLBHSA-N
BMGC_DG03650,BMG_DG093768,,N(CCCCCCCNc1c2c(nc(C)c1)cc(N)cc2)c3c4c(nc(C)c3)cc(N)cc4,,QZWSSKXXZSJIMA-UHFFFAOYSA-N
BMGC_DG03651,BMG_DG093770,,C(=O)(Cc1ccc(cc1)CC(C)C)O,,CYWFCPPBTWOZSF-UHFFFAOYSA-N
BMGC_DG03652,BMG_DG093877,COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O,n1(c2c(cc(c(N3C[C@@]4(CCCN[C@@]4(C3)[H])[H])c2OC)F)c(c(c1)C(=O)O)=O)C5CC5,"InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1",FABPRXSRWADJSP-MEDUHNTESA-N
BMGC_DG03653,BMG_DG093878,,c1(ccccc1)P(O)(O)=O,,QLZHNIAADXEJJP-UHFFFAOYSA-N
BMGC_DG03654,BMG_DG093879,C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NC[C@@H](C3)C,S(N[C@H](C(=O)N1[C@@H](C(O)=O)C[C@H](C)CC1)CCCNC(=N)N)(=O)(=O)c2c3c(ccc2)C[C@@H](C)CN3,"InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15-,17+,18-/m1/s1",KXNPVXPOPUZYGB-XYVMCAHJSA-N
BMGC_DG03655,BMG_DG093883,,,,
BMGC_DG03656,BMG_DG093893,C([C@@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O,,"InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4-,5+/m0/s1",YGMNHEPVTNXLLS-VAYJURFESA-N
BMGC_DG03657,BMG_DG093895,CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N,c1ccc(cc1)-c2cnc3c(c2)n(c(n3)N)C,"InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)",UQVKZNNCIHJZLS-UHFFFAOYSA-N
BMGC_DG03658,BMG_DG093918,,c1ccc(cc1)C(=O)c2cnn(-c3ccccc3)c2N,,YMGWYPXWGVJIAJ-UHFFFAOYSA-N
BMGC_DG03659,BMG_DG093937,,c1c(ccc(c1)OC)CN(c2ccccn2)CCNC,,LWKSMQXIHQRJJJ-UHFFFAOYSA-N
BMGC_DG03660,BMG_DG093944,COC1=C(C=CC(=C1)NC(=O)NC2=CC=CC(=C2)CNC(=O)O[C@H]3CCOC3)C4=CN=CO4,c1(-c2ocnc2)c(cc(NC(Nc3cc(CNC(O[C@H]4CCOC4)=O)ccc3)=O)cc1)OC,"InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1",JBPUGFODGPKTDW-SFHVURJKSA-N
BMGC_DG03661,BMG_DG093951,CCO[C@H]1[C@H](CC(=O)O1)NC(=O)[C@@H]2CCCN3N2C(=O)[C@H](CCC3=O)NC(=O)C4=NC=CC5=CC=CC=C54,C1C[C@@H](C(N2[C@@H](CCCN2C1=O)C(N[C@@H]3[C@@H](OC(C3)=O)OCC)=O)=O)NC(=O)c4c5c(ccn4)cccc5,"InChI=1S/C26H29N5O7/c1-2-37-26-18(14-21(33)38-26)29-23(34)19-8-5-13-30-20(32)10-9-17(25(36)31(19)30)28-24(35)22-16-7-4-3-6-15(16)11-12-27-22/h3-4,6-7,11-12,17-19,26H,2,5,8-10,13-14H2,1H3,(H,28,35)(H,29,34)/t17-,18-,19-,26+/m0/s1",CXAGHAZMQSCAKJ-WAHHBDPQSA-N
BMGC_DG03662,BMG_DG093961,,Cc1ccnc(c1)N,,ORLGLBZRQYOWNA-UHFFFAOYSA-N
BMGC_DG03663,BMG_DG093963,CN(C)NC(=O)CCC(=O)O,C(NN(C)C)(=O)CCC(=O)O,"InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)",NOQGZXFMHARMLW-UHFFFAOYSA-N
BMGC_DG03664,BMG_DG093990,,c12c(c(CC(OC)=O)c(n1C(c3ccc(Cl)cc3)=O)C)cc(OC)cc2,,OKHORWCUMZIORR-UHFFFAOYSA-N
BMGC_DG03665,BMG_DG094017,C1C2=C(C3=CC=CC=C3S1)N(N=C2C(F)(F)F)C4=CC=C(C=C4)S(=O)(=O)N,,"InChI=1S/C17H12F3N3O2S2/c18-17(19,20)16-13-9-26-14-4-2-1-3-12(14)15(13)23(22-16)10-5-7-11(8-6-10)27(21,24)25/h1-8H,9H2,(H2,21,24,25)",ACFQQDXFCVFBIX-UHFFFAOYSA-N
BMGC_DG03666,BMG_DG094023,,c1ccc(c(n1)N)C,,RGDQRXPEZUNWHX-UHFFFAOYSA-N
BMGC_DG03667,BMG_DG094026,,c1(ccc(cn1)C)N,,CMBSSVKZOPZBKW-UHFFFAOYSA-N
BMGC_DG03668,BMG_DG094038,C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)[O-])F.[Na+],O(S(=O)(=O)[O-])N1[C@]2(CN([C@H](F)CC2)C1=O)[H].[Na+],"InChI=1S/C6H9FN2O5S.Na/c7-5-2-1-4-3-8(5)6(10)9(4)14-15(11,12)13;/h4-5H,1-3H2,(H,11,12,13);/q;+1/p-1/t4-,5+;/m1./s1",UIJIKXQAJBMNIR-JBUOLDKXSA-M
BMGC_DG03669,BMG_DG094058,,,,
BMGC_DG03670,BMG_DG094067,,C(c1c(nc2n1ccc(Cl)c2)-c3c(F)cc(S(N)(=O)=O)cc3F)[C@H]4CN(C(OC)=O)CCO4,,LCFJBSQSNPDSIX-LBPRGKRZSA-N
BMGC_DG03671,BMG_DG094082,,c1(ccc(c(c1)N)OCCC)N,,FJBQGRKYDQRFQC-UHFFFAOYSA-N
BMGC_DG03672,BMG_DG094097,CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O,n12[C@](C[C@]3([C@]4(c1c(CCN4CCC3)c5c2cccc5)[H])CC)(C(=O)OC)O,"InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1",RXPRRQLKFXBCSJ-GIVPXCGWSA-N
BMGC_DG03673,BMG_DG094106,CC(=CCC/C(=C/CC/C(=C/CC1=C(C(=O)C=C(C1=O)O)O)/C)/C)C,,"InChI=1S/C21H28O4/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-17-20(24)18(22)13-19(23)21(17)25/h7,9,11,13,22,25H,5-6,8,10,12H2,1-4H3/b15-9+,16-11+",ADRVEZVEKSCRHP-XGGJEREUSA-N
BMGC_DG03674,BMG_DG094122,,C[N+](C)(C)c1cccc(O)c1,,CSKWZSUBRGLJBC-UHFFFAOYSA-O
BMGC_DG03675,BMG_DG094136,CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F,N1(CCC(CC1)C)CCCC(c2ccc(cc2)F)=O,"InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3",DKMFBWQBDIGMHM-UHFFFAOYSA-N
BMGC_DG03676,BMG_DG094171,,CC(C)OP(O)(O)=O,,QPPQHRDVPBTVEV-UHFFFAOYSA-N
BMGC_DG03677,BMG_DG094188,,,,
BMGC_DG03678,BMG_DG094191,C1C(=O)NC(=O)[C@@]12C(=O)N(C(=O)C3=CC=CN23)CC4=C(C=C(C=C4)Br)F,[C@@]12(n3cccc3C(N(C1=O)Cc4ccc(cc4F)Br)=O)CC(NC2=O)=O,"InChI=1S/C17H11BrFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)/t17-/m1/s1",QCVNMNYRNIMDKV-QGZVFWFLSA-N
BMGC_DG03679,BMG_DG094197,CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)C#N,n1([C@H]2[C@H]([C@H](O)[C@H](O2)CO)C#N)c(nc(cc1)NC(=O)CCCCCCCCCCCCCCC)=O,"InChI=1S/C26H42N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(32)28-22-16-17-30(26(34)29-22)25-20(18-27)24(33)21(19-31)35-25/h16-17,20-21,24-25,31,33H,2-15,19H2,1H3,(H,28,29,32,34)/t20-,21+,24-,25+/m0/s1",LBGFKUUHOPIEMA-PEARBKPGSA-N
BMGC_DG03680,BMG_DG094199,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@]4(C5=COC=C5)O)O)C)O,[C@@H]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@@]4([C@@]3(CC[C@@]2(C1)[H])[H])O)(c5ccoc5)O)C)[H])C)O,"InChI=1S/C23H34O4/c1-20-8-5-17(24)13-15(20)3-4-19-18(20)6-9-21(2)22(25,10-11-23(19,21)26)16-7-12-27-14-16/h7,12,14-15,17-19,24-26H,3-6,8-11,13H2,1-2H3/t15-,17+,18+,19-,20+,21-,22+,23+/m1/s1",AEAPORIZZWBIEX-DTBDINHYSA-N
BMGC_DG03681,BMG_DG094207,,N1(c2ccc(C)cc2)C(C=CC1=O)=O,,KCFXNGDHQPMIAQ-UHFFFAOYSA-N
BMGC_DG03682,BMG_DG094210,CCCC(=O)OCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C,C=1(C(C(C(=O)OC)=C(NC1C)C)c2c(c(Cl)ccc2)Cl)C(OCOC(=O)CCC)=O,"InChI=1S/C21H23Cl2NO6/c1-5-7-15(25)29-10-30-21(27)17-12(3)24-11(2)16(20(26)28-4)18(17)13-8-6-9-14(22)19(13)23/h6,8-9,18,24H,5,7,10H2,1-4H3",KPBZROQVTHLCDU-UHFFFAOYSA-N
BMGC_DG03683,BMG_DG094212,C1CN(CCN1C[C@H](COC2=CC=CC3=C2C=CC=N3)O)C4C5=CC=CC=C5[C@H]6[C@H](C6(F)F)C7=CC=CC=C47.Cl.Cl.Cl,Cl.C1(F)(F)[C@@]2([H])[C@]1([H])c3ccccc3[C@H](N4CCN(CC4)C[C@H](COc5c6c(nccc6)ccc5)O)c7ccccc27.Cl.Cl,"InChI=1S/C32H31F2N3O2.3ClH/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27;;;/h1-14,21,29-31,38H,15-20H2;3*1H/t21-,29-,30+,31?;;;/m1.../s1",ZPFVQKPWGDRLHL-WITOOOCMSA-N;ZPFVQKPWGDRLHL-ZLYBXYBFSA-N
BMGC_DG03684,BMG_DG094213,CN(C)C[C@@H]1CCN2C=C(C3=CC=CC=C32)C4=C(C5=CN(CCO1)C6=CC=CC=C65)C(=O)NC4=O,c12c3c(n(c1)CCO[C@@H](CCn4c5c(c(C6=C2C(NC6=O)=O)c4)cccc5)CN(C)C)cccc3,"InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1",ZCBUQCWBWNUWSU-SFHVURJKSA-N
BMGC_DG03685,BMG_DG094215,,,,
BMGC_DG03686,BMG_DG094216,,N1(c2ccc(Cl)cc2)C(C=CC1=O)=O,,FPZQYYXSOJSITC-UHFFFAOYSA-N
BMGC_DG03687,BMG_DG094217,CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CC4C(=O)NOC4=O,n1c(oc(c1CCOc2ccc(CC3C(NOC3=O)=O)cc2)C)-c4ccccc4,"InChI=1S/C22H20N2O5/c1-14-19(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-18-20(25)24-29-22(18)26/h2-10,18H,11-13H2,1H3,(H,24,25)",QBQLYIISSRXYKL-UHFFFAOYSA-N
BMGC_DG03688,BMG_DG094238,C1CN2CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@@H]3C5=CC=CC=C5,N1(C(O[C@H]2CN3CCC2CC3)=O)[C@H](c4ccccc4CC1)c5ccccc5,"InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1",FBOUYBDGKBSUES-VXKWHMMOSA-N
BMGC_DG03689,BMG_DG094265,COC(=O)[C@@H]([C@H]1CCCCN1)C2=CC=CC=C2.Cl,[C@H](C(=O)OC)([C@@]1(NCCCC1)[H])c2ccccc2.Cl,"InChI=1S/C14H19NO2.ClH/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1H/t12-,13-;/m1./s1",JUMYIBMBTDDLNG-OJERSXHUSA-N
BMGC_DG03690,BMG_DG094266,COC(=O)[C@@H]([C@H]1CCCCN1)C2=CC=CC=C2,[C@H](C(=O)OC)([C@@]1(NCCCC1)[H])c2ccccc2,"InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1",DUGOZIWVEXMGBE-CHWSQXEVSA-N
BMGC_DG03691,BMG_DG094268,C1CN2CCC1[C@H](C2)NC(=O)C3=CNC4=C(C3=O)SC=C4,C1CN2C[C@@H](C1CC2)NC(c3c(c4c([nH]c3)ccs4)=O)=O,"InChI=1S/C15H17N3O2S/c19-13-10(7-16-11-3-6-21-14(11)13)15(20)17-12-8-18-4-1-9(12)2-5-18/h3,6-7,9,12H,1-2,4-5,8H2,(H,16,19)(H,17,20)/t12-/m0/s1",AFUWQWYPPZFWCO-LBPRGKRZSA-N
BMGC_DG03692,BMG_DG094278,,n1(c(c(NCCc2ccccc2)ncc1C)=O)CC(NCc3c(nc(cc3)N)C)=O,,PVDHYBJORRALSQ-UHFFFAOYSA-N
BMGC_DG03693,BMG_DG094280,,N(C(SSC(N(CCCC)CCCC)=S)=S)(CCCC)CCCC,,PGAXJQVAHDTGBB-UHFFFAOYSA-N
BMGC_DG03694,BMG_DG094321,CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)N=C(N)N)NC(=O)C,C(N)(=N)N[C@H]1[C@@]([C@@H]([C@H](C1)C(O)=O)O)([C@H](C(CC)CC)NC(C)=O)[H];C(N)(=N)N[C@H]1[C@@]([C@@H]([C@H](C1)C(O)=O)O)([C@@H](NC(C)=O)C(CC)CC)[H],"InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1",XRQDFNLINLXZLB-CKIKVBCHSA-N
BMGC_DG03695,BMG_DG094326,CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCCCCC4)C5=CC=C(C=C5)O.CC(=O)O,n1(c(c(C)c2c1ccc(c2)O)-c3ccc(O)cc3)Cc4ccc(OCCN5CCCCCC5)cc4.C(=O)(O)C,"InChI=1S/C30H34N2O3.C2H4O2/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31;1-2(3)4/h6-15,20,33-34H,2-5,16-19,21H2,1H3;1H3,(H,3,4)",OMZAMQFQZMUNTP-UHFFFAOYSA-N
BMGC_DG03696,BMG_DG094327,CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCCCCC4)C5=CC=C(C=C5)O,c1cc2n(c(-c3ccc(cc3)O)c(c2cc1O)C)Cc4ccc(OCCN5CCCCCC5)cc4,"InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3",UCJGJABZCDBEDK-UHFFFAOYSA-N
BMGC_DG03697,BMG_DG094336,,C(Cc1cc(Cl)c(Cl)cc1)N2C[C@@]3(N(CC2)CCC3)[H],,IGVDQXLOMXGWKN-CYBMUJFWSA-N
BMGC_DG03698,BMG_DG094343,,Cc1c(c2cc(ccc2nc1-c3ccc(cc3)-c4ccccc4)F)C(=O)O,,WYKKHJQZENLZID-UHFFFAOYSA-N
BMGC_DG03699,BMG_DG094347,CN1CCN2[C@H](C1)C3=CC=CC=C3CC4=CC=CC=C42,N12[C@@](c3c(cccc3)Cc4c1cccc4)(CN(CC2)C)[H],"InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1",UEQUQVLFIPOEMF-GOSISDBHSA-N
BMGC_DG03700,BMG_DG094353,CCCCCCCCCCCC[N+](C)(C)[O-],[N+]([O-])(CCCCCCCCCCCC)(C)C,"InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3",SYELZBGXAIXKHU-UHFFFAOYSA-N
BMGC_DG03701,BMG_DG094395,CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3,N1([C@@H]2C[C@H](C[C@H]1CC2)OC([C@@H](c3ccccc3)CO)=O)C,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1",RKUNBYITZUJHSG-FXUDXRNXSA-N;RKUNBYITZUJHSG-VFSICIBPSA-N
BMGC_DG03702,BMG_DG094401,C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3,N1(c2ncccc2)CCN(CC1)CCCC(c3ccc(cc3)F)=O,"InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2",XTKDAFGWCDAMPY-UHFFFAOYSA-N
BMGC_DG03703,BMG_DG094419,,Cc1nc2ccc(c3c2n1c4ccc(cc4c3=O)O)NCCN(C)C,,RWGHRNQPAMSGPF-UHFFFAOYSA-N
BMGC_DG03704,BMG_DG094455,CC1=CN(C(=O)NC1=O)[C@H]2CN(C[C@H](O2)COP(=O)(N3C[C@H](O[C@H](C3)N4C=C(C(=O)NC4=O)C)COP(=O)(N5C[C@H](O[C@H](C5)N6C=NC7=C6N=C(NC7=O)N)COP(=O)(N8C[C@H](O[C@H](C8)N9C=C(C(=O)NC9=O)C)COP(=O)(N1C[C@H](O[C@H](C1)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(N1C[C@H](O[C@H](C1)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(N1C[C@H](O[C@H](C1)N1C=NC2=C(N=CN=C21)N)COP(=O)(N1C[C@H](O[C@H](C1)N1C=NC2=C(N=CN=C21)N)COP(=O)(N1C[C@H](O[C@H](C1)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(N1C[C@H](O[C@H](C1)N1C=C(C(=O)NC1=O)C)COP(=O)(N1C[C@H](O[C@H](C1)N1C=CC(=NC1=O)N)COP(=O)(N1C[C@H](O[C@H](C1)N1C=C(C(=O)NC1=O)C)COP(=O)(N1C[C@H](O[C@H](C1)N1C=C(C(=O)NC1=O)C)COP(=O)(N1C[C@H](O[C@H](C1)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(N1C[C@H](O[C@H](C1)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(N1C[C@H](O[C@H](C1)N1C=CC(=NC1=O)N)COP(=O)(N1C[C@H](O[C@H](C1)N1C=CC(=NC1=O)N)COP(=O)(N1C[C@H](O[C@H](C1)N1C=C(C(=O)NC1=O)C)COP(=O)(N1C[C@H](O[C@H](C1)N1C=CC(=NC1=O)N)COP(=O)(N1C[C@H](O[C@H](C1)N1C=CC(=NC1=O)N)CO)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)P(=O)(N(C)C)OC[C@@H]1CNC[C@@H](O1)N1C=CC(=NC1=O)N,,"InChI=1S/C244H381N113O88P20/c1-140-62-343(238(378)290-213(140)359)180-94-322(447(386,298(10)11)405-110-147-60-259-61-174(425-147)337-54-48-168(245)272-232(337)372)74-153(431-180)117-412-454(393,305(24)25)325-78-157(435-183(97-325)346-65-143(4)216(362)293-241(346)381)119-414-460(399,311(36)37)331-84-163(441-189(103-331)352-134-266-197-207(352)278-226(253)284-220(197)366)125-418-457(396,308(30)31)328-80-159(437-186(100-328)349-68-146(7)219(365)296-244(349)384)121-416-462(401,313(40)41)333-87-167(445-191(105-333)354-136-268-199-209(354)280-228(255)286-222(199)368)129-424-465(404,316(46)47)336-88-165(443-194(108-336)357-139-271-202-212(357)283-231(258)289-225(202)371)127-422-459(398,310(34)35)330-81-160(438-188(102-330)351-133-265-196-204(252)261-131-263-206(196)351)122-420-458(397,309(32)33)329-82-161(439-187(101-329)350-132-264-195-203(251)260-130-262-205(195)350)123-421-463(402,314(42)43)334-85-164(442-193(106-334)356-138-270-201-211(356)282-230(257)288-224(201)370)126-419-456(395,307(28)29)327-76-155(433-185(99-327)348-67-145(6)218(364)295-243(348)383)116-411-450(389,301(16)17)320-73-152(430-178(92-320)341-58-52-172(249)276-236(341)376)114-409-453(392,304(22)23)324-77-156(434-182(96-324)345-64-142(3)215(361)292-240(345)380)118-413-455(394,306(26)27)326-79-158(436-184(98-326)347-66-144(5)217(363)294-242(347)382)120-415-461(400,312(38)39)332-86-166(444-190(104-332)353-135-267-198-208(353)279-227(254)285-221(198)367)128-423-464(403,315(44)45)335-83-162(440-192(107-335)355-137-269-200-210(355)281-229(256)287-223(200)369)124-417-451(390,302(18)19)321-71-150(428-179(93-321)342-59-53-173(250)277-237(342)377)112-407-448(387,299(12)13)318-72-151(429-177(90-318)340-57-51-171(248)275-235(340)375)113-408-452(391,303(20)21)323-75-154(432-181(95-323)344-63-141(2)214(360)291-239(344)379)115-410-449(388,300(14)15)319-70-149(427-176(91-319)339-56-50-170(247)274-234(339)374)111-406-446(385,297(8)9)317-69-148(109-358)426-175(89-317)338-55-49-169(246)273-233(338)373/h48-59,62-68,130-139,147-167,174-194,259,358H,60-61,69-129H2,1-47H3,(H2,245,272,372)(H2,246,273,373)(H2,247,274,374)(H2,248,275,375)(H2,249,276,376)(H2,250,277,377)(H2,251,260,262)(H2,252,261,263)(H,290,359,378)(H,291,360,379)(H,292,361,380)(H,293,362,381)(H,294,363,382)(H,295,364,383)(H,296,365,384)(H3,253,278,284,366)(H3,254,279,285,367)(H3,255,280,286,368)(H3,256,281,287,369)(H3,257,282,288,370)(H3,258,283,289,371)/t147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,174+,175+,176+,177+,178+,179+,180+,181+,182+,183+,184+,185+,186+,187+,188+,189+,190+,191+,192+,193+,194+,446?,447?,448?,449?,450?,451?,452?,453?,454?,455?,456?,457?,458?,459?,460?,461?,462?,463?,464?,465?/m0/s1",ZVXLKCOOOKREJD-OERAVCCFSA-N
BMGC_DG03705,BMG_DG094504,,O[C@@H]1CO[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3ccc(=O)[nH]c3=O)[C@@H](O)[C@H]1O,,DQQDLYVHOTZLOR-CNLWYJPWSA-N
BMGC_DG03706,BMG_DG094521,[H+].C1=CC(=C(C=C1CCC(=O)NCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)CN(CCN(CC2=C(C=CC(=C2)CCC(=O)O)[O-])CC(=O)[O-])CC(=O)[O-])[O-].[68Ga+3],,"InChI=1S/C44H62N6O17.Ga/c51-34-13-8-28(22-30(34)24-49(26-40(59)60)20-21-50(27-41(61)62)25-31-23-29(9-14-35(31)52)11-16-38(55)56)10-15-37(54)46-18-4-1-2-7-36(53)45-19-5-3-6-32(42(63)64)47-44(67)48-33(43(65)66)12-17-39(57)58;/h8-9,13-14,22-23,32-33,51-52H,1-7,10-12,15-21,24-27H2,(H,45,53)(H,46,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,47,48,67);/q;+3/p-3/t32-,33-;/m0./s1/i;1-2",AEBYHKKMCWUMKX-LNTZDJBBSA-K
BMGC_DG03707,BMG_DG094580,COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2Cl)Cl)OC3CCCC3,N(c1c(Cl)cncc1Cl)C(c2cc(OC3CCCC3)c(cc2)OC)=O,"InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)",RRRUXBQSQLKHEL-UHFFFAOYSA-N
BMGC_DG03708,BMG_DG094683,CC1=CC(=CC(=C1)OCC2CNC(=O)O2)C,C1(NCC(O1)COc2cc(C)cc(c2)C)=O,"InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)",IMWZZHHPURKASS-UHFFFAOYSA-N
BMGC_DG03709,BMG_DG094688,C1=CC=C(C=C1)[Se][Se]C2=CC=CC=C2,[Se]([Se]c1ccccc1)c2ccccc2,InChI=1S/C12H10Se2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H,YWWZCHLUQSHMCL-UHFFFAOYSA-N
BMGC_DG03710,BMG_DG094703,CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)C2=CC(=NN2)NC(=O)C3=CC(=NN3C)COC,c1c(NC(=O)c2n(C)nc(COC)c2)n[nH]c1[C@@H]3C[C@@H](CC3)OC(NC(C)C)=O,"InChI=1S/C19H28N6O4/c1-11(2)20-19(27)29-14-6-5-12(7-14)15-9-17(23-22-15)21-18(26)16-8-13(10-28-4)24-25(16)3/h8-9,11-12,14H,5-7,10H2,1-4H3,(H,20,27)(H2,21,22,23,26)/t12-,14+/m0/s1",MTNBRBDFNSGQKB-GXTWGEPZSA-N
BMGC_DG03711,BMG_DG094743,C1C[C@@H](C[C@H]1NC2=NC=C(C=C2)N3C=CC=CC3=O)NC4=NC=C(C=N4)OC(F)F,FC(F)Oc1cnc(N[C@H]2CC[C@@H](C2)Nc3ncc(cc3)-n4ccccc4=O)nc1,"InChI=1S/C20H20F2N6O2/c21-19(22)30-16-11-24-20(25-12-16)27-14-5-4-13(9-14)26-17-7-6-15(10-23-17)28-8-2-1-3-18(28)29/h1-3,6-8,10-14,19H,4-5,9H2,(H,23,26)(H,24,25,27)/t13-,14-/m0/s1",NCHUWRLOTSAFFN-KBPBESRZSA-N
BMGC_DG03712,BMG_DG094753,C[C@@H]1CC(=O)NC2=C1C(=NC=N2)N3CCN([C@H]4[C@@H]3C4)C(=O)[C@H](CNC(C)C)C5=CC=C(C=C5)Cl,,"InChI=1S/C25H31ClN6O2/c1-14(2)27-12-18(16-4-6-17(26)7-5-16)25(34)32-9-8-31(19-11-20(19)32)24-22-15(3)10-21(33)30-23(22)28-13-29-24/h4-7,13-15,18-20,27H,8-12H2,1-3H3,(H,28,29,30,33)/t15-,18-,19+,20-/m1/s1",RXNPEQZHMGFNAY-GEALJGNFSA-N
BMGC_DG03713,BMG_DG094757,C1CN(CCN1CCO)CC2=CC=C(C=C2)C3=CC4=C(NC=C4C5=CC(=CC=C5)Cl)N=C3,,"InChI=1S/C26H27ClN4O/c27-23-3-1-2-21(14-23)25-17-29-26-24(25)15-22(16-28-26)20-6-4-19(5-7-20)18-31-10-8-30(9-11-31)12-13-32/h1-7,14-17,32H,8-13,18H2,(H,28,29)",VZJUKEQMHBEIKH-UHFFFAOYSA-N
BMGC_DG03714,BMG_DG095482,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCCC2=C/C=C\3/C[C@H](CCC3=C)O)C,,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11?,22-12-/t20-,23+,24-,25+,27-/m1/s1",JWUBBDSIWDLEOM-NSEIUTIGSA-N
BMGC_DG03715,BMG_DG095648,,n1c([nH]c2N3C(N(C(c12)=O)C)=N[C@]4([C@@]3(CCC4)[H])[H])Cc5ccc(cc5)C(F)(F)F,,JOSMPBVYYKRYLG-OLZOCXBDSA-N
BMGC_DG03716,BMG_DG095663,C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4,N1(C(c2ccccc2)c3ccccc3)CCN(CC1)C/C=C/c4ccccc4,"InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+",DERZBLKQOCDDDZ-JLHYYAGUSA-N
BMGC_DG03717,BMG_DG095688,COCC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC,C(OC)(=O)[C@]12[C@]3([N@](C[C@@H](C1)C[C@@H]3CCOC)CCc4c2[nH]c5c4cccc5)[H],"InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3/t14-,15+,20+,22-/m1/s1",DTJQBBHYRQYDEG-SVBQBFEESA-N
BMGC_DG03718,BMG_DG095699,,,,
BMGC_DG03719,BMG_DG095700,,,,
BMGC_DG03720,BMG_DG095795,CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O,C/1(=C/c2ccc([S+](C)[O-])cc2)\c3ccc(cc3C(CC(O)=O)=C1C)F,"InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+",MLKXDPUZXIRXEP-RQZCQDPDSA-N
BMGC_DG03721,BMG_DG095796,CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O,C/1(\C(=C(CC(=O)O)c2c1ccc(F)c2)C)=C/c3ccc([S+]([O-])C)cc3,"InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-",MLKXDPUZXIRXEP-MFOYZWKCSA-N
BMGC_DG03722,BMG_DG095806,C1=CC(=CC=C1/C=C\C2=CC(=CC(=C2)O)O)O,C(\c1cc(O)cc(O)c1)=C\c2ccc(O)cc2,"InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1-",LUKBXSAWLPMMSZ-UPHRSURJSA-N
BMGC_DG03723,BMG_DG095812,CC(C)/C=C\CCCCC(=O)NCC1=CC(=C(C=C1)O)OC,c1(c(ccc(c1)CNC(=O)CCCC/C=C\C(C)C)O)OC,"InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6-",YKPUWZUDDOIDPM-VURMDHGXSA-N
BMGC_DG03724,BMG_DG095813,CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC,c1(c(ccc(c1)CNC(=O)CCCC\C=C\C(C)C)O)OC,"InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+",YKPUWZUDDOIDPM-SOFGYWHQSA-N
BMGC_DG03725,BMG_DG095814,CCN(CC)CCOC1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/Cl)/C3=CC=CC=C3,C(=C(\c1ccccc1)/Cl)(\c2ccc(cc2)OCCN(CC)CC)/c3ccccc3,"InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+",GKIRPKYJQBWNGO-OCEACIFDSA-N
BMGC_DG03726,BMG_DG095815,CCN(CC)CCOC1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\Cl)/C3=CC=CC=C3,C(=C(/c1ccccc1)\Cl)(\c2ccc(cc2)OCCN(CC)CC)/c3ccccc3,"InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25-",GKIRPKYJQBWNGO-QPLCGJKRSA-N
BMGC_DG03727,BMG_DG095817,CNCC[C@@H](C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F,c1cc(O[C@@H](CCNC)c2ccccc2)ccc1C(F)(F)F,"InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m0/s1",RTHCYVBBDHJXIQ-INIZCTEOSA-N
BMGC_DG03728,BMG_DG095819,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C3=CC=C(C=C3)F,c1(n(c2ccccc2c1-c3ccc(cc3)F)C(C)C)/C=C/[C@@H](C[C@@H](CC(O)=O)O)O,"InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m0/s1",FJLGEFLZQAZZCD-JUFISIKESA-N
BMGC_DG03729,BMG_DG095823,CC1=C(N=CN1)CSCCNC(=S)NC,c1(nc[nH]c1C)CSCCNC(=S)NC,"InChI=1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(14)10-2/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)",FPBPLBWLMYGIQR-UHFFFAOYSA-N
BMGC_DG03730,BMG_DG095824,COC1=C(C=CC(=C1)[C@H]2[C@@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,O[C@H]1C(=O)c2c(O[C@@H]1c3ccc4c(c3)O[C@@H](c5ccc(O)c(OC)c5)[C@H](CO)O4)cc(O)cc2O,"InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1",SEBFKMXJBCUCAI-WAABAYLZSA-N
BMGC_DG03731,BMG_DG095825,,C1(NC(=O)CC[C@]1(c2ccc(cc2)N)CC)=O,,ROBVIMPUHSLWNV-ZDUSSCGKSA-N
BMGC_DG03732,BMG_DG095826,C1CN(CCN1CCOCC(=O)O)[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl,c1c(ccc([C@@H](c2ccccc2)N3CCN(CC3)CCOCC(=O)O)c1)Cl,"InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1",ZKLPARSLTMPFCP-OAQYLSRUSA-N
BMGC_DG03733,BMG_DG095828,CC(C)(C)C#C/C=C/C[NH+](C)CC1=CC=CC2=CC=CC=C21,,"InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/p+1/b9-5+",DOMXUEMWDBAQBQ-WEVVVXLNSA-O
BMGC_DG03734,BMG_DG095829,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21,C(#CC(C)(C)C)/C=C/CN(Cc1c2c(cccc2)ccc1)C,"InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+",DOMXUEMWDBAQBQ-WEVVVXLNSA-N
BMGC_DG03735,BMG_DG095834,,C(\C)(=C/COC(=O)C)/CCC=C(C)C,,HIGQPQRQIQDZMP-FLIBITNWSA-N
BMGC_DG03736,BMG_DG095835,CC(=CCC/C(=C/COC(=O)C)/C)C,C(=O)(OC\C=C(\CCC=C(C)C)/C)C,"InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+",HIGQPQRQIQDZMP-DHZHZOJOSA-N
BMGC_DG03737,BMG_DG095849,C1CCC(CC1)[NH3+],,"InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1",PAFZNILMFXTMIY-UHFFFAOYSA-O
BMGC_DG03738,BMG_DG095851,COC1=C(C=CC(=C1)/C=C/CO)O,COc1cc(/C=C/CO)ccc1O,"InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+",JMFRWRFFLBVWSI-NSCUHMNNSA-N
BMGC_DG03739,BMG_DG095853,C([C@@H](C(=O)O)N)S(=O)O,[C@H](CS(=O)O)(C(=O)O)N,"InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1",ADVPTQAUNPRNPO-REOHCLBHSA-N
BMGC_DG03740,BMG_DG095860,CC(=CCC/C(=C\CC/C(=C\CO)/C)/C)C,C(\C)(/CCC=C(C)C)=C/CC/C(/C)=C\CO,"InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9-,15-11-",CRDAMVZIKSXKFV-FBXUGWQNSA-N
BMGC_DG03741,BMG_DG095866,C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)O,S/1C(=S)N(CC(=O)O)C(=O)\C1=C\C(\C)=C\c2ccccc2,"InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-",CHNUOJQWGUIOLD-NFZZJPOKSA-N
BMGC_DG03742,BMG_DG095934,,CC(C)C[C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c3ccccc31,,CBPJQFCAFFNICX-LJQANCHMSA-N
BMGC_DG03743,BMG_DG095963,CC1=CC[C@@H](CC1)[C@@](C)(CCC=C(C)C)O,C1=C(CC[C@@]([C@](O)(CCC=C(C)C)C)(C1)[H])C;[C@@]1([C@](C)(O)CCC=C(C)C)([H])CCC(C)=CC1,"InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m0/s1",RGZSQWQPBWRIAQ-LSDHHAIUSA-N
BMGC_DG03744,BMG_DG095981,,O=C\1c2c(CC/C1=C\c3cccnc3)cccc2,,FQGOMCZTOHRVAC-GXDHUFHOSA-N
BMGC_DG03745,BMG_DG095997,CCCCC1CCCCC1,,"InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3",GGBJHURWWWLEQH-UHFFFAOYSA-N
BMGC_DG03746,BMG_DG095998,CC(=CCC/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)C,c1(ccc2c(o1)cc(cc2)OC/C=C(/CCC=C(C)C)\C)=O,"InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+",RSDDHGSKLOSQFK-RVDMUPIBSA-N
BMGC_DG03747,BMG_DG096010,,C(OCCNC(=O)c1cc2nc(n(c2cc1)C)Nc3nc4ccccc4o3)CO,,LCQUGWVEZSJGJG-UHFFFAOYSA-N
BMGC_DG03748,BMG_DG096028,,OC(=O)/C=C\C(=O)Nc1ccccc1,,WHZLCOICKHIPRL-SREVYHEPSA-N
BMGC_DG03749,BMG_DG096081,,C1=Cc2c(OC1(C)C)c(c3oc(=O)ccc3c2OC)OC,,QZUNAFWZEXJWGD-UHFFFAOYSA-N
BMGC_DG03750,BMG_DG096093,,Oc1c(cc(CC=C)cc1)-c2cc(CC=C)c(OC)cc2,,OQFHJKZVOALSPV-UHFFFAOYSA-N
BMGC_DG03751,BMG_DG096097,,N(C(CN)=O)[C@H](C(O)=O)C,,VPZXBVLAVMBEQI-VKHMYHEASA-N
BMGC_DG03752,BMG_DG096117,,c12ccc(c(=O)n2C[C@]3(C[C@@]1(CNC3)[H])[H])Br,,DWDCLEHDNICBMI-JGVFFNPUSA-N
BMGC_DG03753,BMG_DG096128,CC1=C(C(=O)N(C2=CC(=NC=C12)N[C@@H]3CCOC[C@H]3O)C4CCCC4)C(=O)C,n1c(cc2c(c1)c(c(c(n2C3CCCC3)=O)C(C)=O)C)N[C@@H]4CCOC[C@H]4O,"InChI=1S/C21H27N3O4/c1-12-15-10-22-19(23-16-7-8-28-11-18(16)26)9-17(15)24(14-5-3-4-6-14)21(27)20(12)13(2)25/h9-10,14,16,18,26H,3-8,11H2,1-2H3,(H,22,23)/t16-,18-/m1/s1",PITORJXKOJWMTN-SJLPKXTDSA-N
BMGC_DG03754,BMG_DG096130,C1[C@@H](C2=C(C=CC3=C2[C@]1(C(C3(F)F)(F)F)O)OC4=CC(=CC(=C4)C#N)F)F,O[C@@]12c3c([C@H](C1)F)c(Oc4cc(C#N)cc(F)c4)ccc3C(F)(F)C2(F)F,"InChI=1S/C18H9F6NO2/c19-9-3-8(7-25)4-10(5-9)27-13-2-1-11-15-14(13)12(20)6-16(15,26)18(23,24)17(11,21)22/h1-5,12,26H,6H2/t12-,16+/m0/s1",ZIEZRTWLAIDXDH-BLLLJJGKSA-N
BMGC_DG03755,BMG_DG096140,CC(=CCC1=C(C=C(C=C1O)C2=CC3=C(O2)C=C(C=C3)O)O)C,CC(C)=CCc1c(O)cc(-c2cc3ccc(O)cc3o2)cc1O,"InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3",ZTGHWUWBQNCCOH-UHFFFAOYSA-N
BMGC_DG03756,BMG_DG096205,,C(c1cnn2c1c(-c3cnc(N4CC5CC(N5Cc6cnc(OC)cc6)C4)cc3)cc(N7CC(O)(C)C7)c2)#N,,MVQAYSXDCGCOIE-UHFFFAOYSA-N
BMGC_DG03757,BMG_DG096208,CC1=NC(=NC=C1)OC2=C(C=C(C=C2)C3=C(N(C4=NC=NC(=C34)N)C)C5=CC=C(C=C5)NC(=O)C(=C)C)F,n1c(nc(cc1)C)Oc2c(F)cc(-c3c4c(ncnc4N)n(c3-c5ccc(NC(C(=C)C)=O)cc5)C)cc2,"InChI=1S/C28H24FN7O2/c1-15(2)27(37)35-19-8-5-17(6-9-19)24-22(23-25(30)32-14-33-26(23)36(24)4)18-7-10-21(20(29)13-18)38-28-31-12-11-16(3)34-28/h5-14H,1H2,2-4H3,(H,35,37)(H2,30,32,33)",XOQVZSSDIQQUGO-UHFFFAOYSA-N
BMGC_DG03758,BMG_DG096226,CC(C)(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O,,"InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-7,12,18-20H,9-10H2,1-3H3",QXIUMMLTJVHILT-UHFFFAOYSA-N
BMGC_DG03759,BMG_DG096237,C[C@H]1CCN1C2=NC(=CC(=N2)C(F)(F)F)C3=CN(N=C3)CC(=O)N4CCNCC4,n1c(nc(-c2cnn(c2)CC(N3CCNCC3)=O)cc1C(F)(F)F)N4CC[C@@H]4C,"InChI=1S/C18H22F3N7O/c1-12-2-5-28(12)17-24-14(8-15(25-17)18(19,20)21)13-9-23-27(10-13)11-16(29)26-6-3-22-4-7-26/h8-10,12,22H,2-7,11H2,1H3/t12-/m0/s1",HAUDFIFEGDNKJX-LBPRGKRZSA-N
BMGC_DG03760,BMG_DG096251,C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O,[C@@]12([C@](O[C@]3([C@](O1)([C@H]([C@@H](O)[C@H]([C@@H]3O)NC)NC)[H])[H])(O[C@H](C)CC2=O)[H])O,"InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1",UNFWWIHTNXNPBV-WXKVUWSESA-N
BMGC_DG03761,BMG_DG096254,,Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1,,AFPOYLCQXONCPX-UHFFFAOYSA-N
BMGC_DG03762,BMG_DG096279,,n1c(-c2cccnc2)ccc(c1)C,,GKRQVVOAAXTIGR-UHFFFAOYSA-N
BMGC_DG03763,BMG_DG096285,,O(CCCCCCCCC)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,,QFAPUKLCALRPLH-UXXRCYHCSA-N
BMGC_DG03764,BMG_DG096286,C[C@H]1CCCN(C1)CC2=CC3=C(CN(C3=O)C4=CC=CC(=C4)C5(CC(C5)C)C6=NN=CN6C)C(=C2)C(F)(F)F,Cn1c([C@]2(C[C@@H](C)C2)c3cc(ccc3)N4Cc5c(C4=O)cc(CN6C[C@@H](C)CCC6)cc5C(F)(F)F)nnc1,"InChI=1S/C30H34F3N5O/c1-19-6-5-9-37(15-19)16-21-10-24-25(26(11-21)30(31,32)33)17-38(27(24)39)23-8-4-7-22(12-23)29(13-20(2)14-29)28-35-34-18-36(28)3/h4,7-8,10-12,18-20H,5-6,9,13-17H2,1-3H3/t19-,20?,29?/m0/s1",HUOLMBXGHHSYHC-QWQFASRJSA-N;HUOLMBXGHHSYHC-QORSJFMISA-N
BMGC_DG03765,BMG_DG096303,CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@@H](C1=CC=CC=C1)C(=O)OC2CCCC2,[C@H](C(N[C@H](C(OC1CCCC1)=O)c2ccccc2)=O)([C@@H](C(=O)NO)O)CC(C)C,"InChI=1S/C21H30N2O6/c1-13(2)12-16(18(24)20(26)23-28)19(25)22-17(14-8-4-3-5-9-14)21(27)29-15-10-6-7-11-15/h3-5,8-9,13,15-18,24,28H,6-7,10-12H2,1-2H3,(H,22,25)(H,23,26)/t16-,17+,18+/m1/s1",FWFGIHPGRQZWIW-SQNIBIBYSA-N
BMGC_DG03766,BMG_DG096304,CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC,,"InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3",KGPAYJZAMGEDIQ-UHFFFAOYSA-N
BMGC_DG03767,BMG_DG096401,CN(C)CC[C@@](C1=CC(=NC(=C1)OC)OC)([C@H](C2=CC(=NC(=C2OC)OC)OC)C3=C(N=C4C=CC(=CC4=C3)Br)OC)O,[C@@H]([C@](CCN(C)C)(O)c1cc(OC)nc(c1)OC)(c2c(OC)c(OC)nc(c2)OC)c3c(OC)nc4c(c3)cc(cc4)Br,"InChI=1S/C31H37BrN4O7/c1-36(2)12-11-31(37,19-15-24(38-3)34-25(16-19)39-4)27(21-17-26(40-5)35-30(43-8)28(21)41-6)22-14-18-13-20(32)9-10-23(18)33-29(22)42-7/h9-10,13-17,27,37H,11-12H2,1-8H3/t27-,31-/m1/s1",HHDDKDPLFXIPBX-DLFZDVPBSA-N
BMGC_DG03768,BMG_DG096411,CC(=O)/C=C/[C@H](CCC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)F,,"InChI=1S/C29H29FN2O3/c1-21(33)12-18-26(19-13-22-8-4-2-5-9-22)31-29(35)27(20-23-10-6-3-7-11-23)32-28(34)24-14-16-25(30)17-15-24/h2-12,14-18,26-27H,13,19-20H2,1H3,(H,31,35)(H,32,34)/b18-12+/t26-,27+/m1/s1",GJMFJSMWCBYWQN-MOKQZDJKSA-N
BMGC_DG03769,BMG_DG096474,,C1(N(c2ccccc2)C(CC)=O)(CCN(CC(c3ccccc3)=O)CC1)C(OC)=O,,BHIYWXAOQDVJSZ-UHFFFAOYSA-N
BMGC_DG03770,BMG_DG096484,,c1cccc(N(C2(CCN(CCc3ccccc3O)CC2)C(=O)OC)C(=O)CC)c1,,BOXACENIBMHDHY-UHFFFAOYSA-N
BMGC_DG03771,BMG_DG096520,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4(C=CO5)O,O[C@@]12C=CO[C@]1([H])Oc3c2c4oc(=O)c5C(=O)CCc5c4c(OC)c3,"InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1",MJBWDEQAUQTVKK-IAGOWNOFSA-N
BMGC_DG03772,BMG_DG096524,CC1=C(C(=O)CC1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)CC=C,CC(C)=C[C@H]1C([C@@H]1C(OC2CC(C(=C2C)CC=C)=O)=O)(C)C,"InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3/t14-,16?,17+/m1/s1",ZCVAOQKBXKSDMS-AQYZNVCMSA-N
BMGC_DG03773,BMG_DG096529,CN1C=C(C=N1)C2=CC=C(C=C2)CNC3=NC=NC(=C3)C4=CN=C5N4C=CC(=C5)OCCCN6CCCC6,Cn1cc(cn1)-c2ccc(cc2)CNc3ncnc(-c4n5c(cc(cc5)OCCCN6CCCC6)nc4)c3,"InChI=1S/C29H32N8O/c1-35-20-24(18-34-35)23-7-5-22(6-8-23)17-30-28-16-26(32-21-33-28)27-19-31-29-15-25(9-13-37(27)29)38-14-4-12-36-10-2-3-11-36/h5-9,13,15-16,18-21H,2-4,10-12,14,17H2,1H3,(H,30,32,33)",LVMAULGVWBINFP-UHFFFAOYSA-N
BMGC_DG03774,BMG_DG096610,,O(c1c2c3c([nH]c2ccc1)[C@@]4(N(C[C@H]([C@H](C4)/C(/C(OC)=O)=C\OC)CC)CC3)[H])C,,LELBFTMXCIIKKX-MYLQJJOTSA-N
BMGC_DG03775,BMG_DG096611,,O(c1c2c3c([nH]c2ccc1)[C@]4(N(C[C@@H]([C@H](C4)/C(/C(OC)=O)=C\OC)CC)CC3)[H])C,,LELBFTMXCIIKKX-CYSPOEIOSA-N
BMGC_DG03776,BMG_DG096652,,O=C(O)C1C(Nc2ccc(Cl)cc2C(=N1)c3ccccc3F)=O,,AUMAPAHSHLMFGL-UHFFFAOYSA-N
BMGC_DG03777,BMG_DG096667,,NS(=O)(=O)Nc1ccccc1,,DEVUYWTZRXOMSI-UHFFFAOYSA-N
BMGC_DG03778,BMG_DG096680,CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C,[C@]12(CO1)[C@@]3([C@@H]([C@H]([C@]2(O[C@@]4(C=C(CC[C@@]43COC(=O)C)C)[H])[H])O)OC(=O)C)C,"InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19+/m1/s1",AUGQEEXBDZWUJY-NMAPUUFXSA-N
BMGC_DG03779,BMG_DG096693,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N=[N+]=[N-])C(=O)O)C,c1cccc([C@H](C(N[C@H]2[C@@]3(N(C2=O)[C@H](C(C)(S3)C)C(=O)O)[H])=O)N=[N+]=[N-])c1,"InChI=1S/C16H17N5O4S/c1-16(2)11(15(24)25)21-13(23)10(14(21)26-16)18-12(22)9(19-20-17)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,22)(H,24,25)/t9-,10-,11+,14-/m1/s1",ODFHGIPNGIAMDK-NJBDSQKTSA-N
BMGC_DG03780,BMG_DG096709,C1COCCN1C(=O)NCCNCC(COC2=CC=C(C=C2)O)O,C(=O)(NCCNCC(COc1ccc(cc1)O)O)N2CCOCC2,"InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)",DXPOSRCHIDYWHW-UHFFFAOYSA-N
BMGC_DG03781,BMG_DG096719,,c1(nc2c([nH]1)ccc(c2)OC)SCc3c(c(c(cn3)C)OC)C,,XURCIPRUUASYLR-UHFFFAOYSA-N
BMGC_DG03782,BMG_DG096745,,C(Oc1ccc(Cl)nc1)[C@@H]2N[C@@H]3[C@H](C2)C3.Cl,,VZIQKVIAFWXNFL-NDYRHZEOSA-N
BMGC_DG03783,BMG_DG096788,,NC=1C2(c3c(N1)cc(c(OC)c3)C4=CCN(C)CCC4)CCC2,,VMVRYCYPSDCNEH-UHFFFAOYSA-N
BMGC_DG03784,BMG_DG096854,C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCC5=CC=C(C=C5)O,Fc1ccc(Cn2c(NC3CCN(CC3)CCc4ccc(O)cc4)nc5c2cccc5)cc1,"InChI=1S/C27H29FN4O/c28-22-9-5-21(6-10-22)19-32-26-4-2-1-3-25(26)30-27(32)29-23-14-17-31(18-15-23)16-13-20-7-11-24(33)12-8-20/h1-12,23,33H,13-19H2,(H,29,30)",LAGYWHSFHIMTPE-UHFFFAOYSA-N
BMGC_DG03785,BMG_DG096858,CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)C(=O)C(=O)N,c1cc(OCC(O)=O)c2c(c(CC)n(Cc3ccccc3)c2c1)C(=O)C(N)=O,"InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)",BHLXTPHDSZUFHR-UHFFFAOYSA-N
BMGC_DG03786,BMG_DG096898,CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CO)C,[C@]12([C@]([C@](CO)(CCC1)C)(CCc3c2ccc(c3)C(C)C)[H])C,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",WSKGRAGZAQRSED-SLFFLAALSA-N
BMGC_DG03787,BMG_DG096981,CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)N.CC(=O)O,,"InChI=1S/C126H238N26O22.C2H4O2/c1-69(2)53-90(137-106(153)85(132)43-33-38-48-127)114(161)145-98(61-77(17)18)122(169)149-99(62-78(19)20)118(165)141-91(54-70(3)4)110(157)133-86(44-34-39-49-128)107(154)138-95(58-74(11)12)115(162)146-103(66-82(27)28)123(170)150-100(63-79(21)22)119(166)142-92(55-71(5)6)111(158)134-87(45-35-40-50-129)108(155)139-96(59-75(13)14)116(163)147-104(67-83(29)30)124(171)151-101(64-80(23)24)120(167)143-93(56-72(7)8)112(159)135-88(46-36-41-51-130)109(156)140-97(60-76(15)16)117(164)148-105(68-84(31)32)125(172)152-102(65-81(25)26)121(168)144-94(57-73(9)10)113(160)136-89(126(173)174)47-37-42-52-131;1-2(3)4/h69-105H,33-68,127-132H2,1-32H3,(H,133,157)(H,134,158)(H,135,159)(H,136,160)(H,137,153)(H,138,154)(H,139,155)(H,140,156)(H,141,165)(H,142,166)(H,143,167)(H,144,168)(H,145,161)(H,146,162)(H,147,163)(H,148,164)(H,149,169)(H,150,170)(H,151,171)(H,152,172)(H,173,174);1H3,(H,3,4)",OSPNFKYGOFXGBX-UHFFFAOYSA-N
BMGC_DG03788,BMG_DG097012,CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)C,C(N[C@@H](C[C@H]1C(=O)NCC1)C#N)(=O)[C@@H]2[C@@]3([C@@](C3(C)C)(CN2C([C@@H](NC(C(F)(F)F)=O)C(C)(C)C)=O)[H])[H],"InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1",LIENCHBZNNMNKG-OJFNHCPVSA-N
BMGC_DG03789,BMG_DG097063,CCCCN1C2=CC=CC=C2C(=N1)C(=O)N[C@H](C(=O)N)C(C)(C)C,CCCCn1nc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21,"InChI=1S/C18H26N4O2/c1-5-6-11-22-13-10-8-7-9-12(13)14(21-22)17(24)20-15(16(19)23)18(2,3)4/h7-10,15H,5-6,11H2,1-4H3,(H2,19,23)(H,20,24)/t15-/m1/s1",GPWADXHYJAZPAX-OAHLLOKOSA-N
BMGC_DG03790,BMG_DG097092,,c12c(c(ncc1)C)cccc2,,PBYMYAJONQZORL-UHFFFAOYSA-N
BMGC_DG03791,BMG_DG097372,,[C@]12(c3c(C=C[C@@]1(O2)[H])cccc3)[H],,XQIJIALOJPIKGX-VHSXEESVSA-N
BMGC_DG03792,BMG_DG097391,[2H]C([2H])([2H])NC(=O)C1=CN=C(C=C1NC2=CC=CC(=C2OC)C3=NC=C(C=N3)F)NC(=O)C4CC4,Fc1cnc(nc1)-c2c(OC)c(Nc3cc(NC(=O)C4CC4)ncc3C(=O)NC([2H])([2H])[2H])ccc2,"InChI=1S/C22H21FN6O3/c1-24-22(31)15-11-25-18(29-21(30)12-6-7-12)8-17(15)28-16-5-3-4-14(19(16)32-2)20-26-9-13(23)10-27-20/h3-5,8-12H,6-7H2,1-2H3,(H,24,31)(H2,25,28,29,30)/i1D3",BBRMAVGRWHNAIG-FIBGUPNXSA-N
BMGC_DG03793,BMG_DG097424,CC(C)C1=C(C(=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)CO)O)O,,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-15-19(3,4)8-5-9-20(15,11-21)16(13)18(23)17(14)22/h10,12,15,21-23H,5-9,11H2,1-4H3/t15-,20+/m0/s1",ZBPGOZPDUZTLRB-MGPUTAFESA-N
BMGC_DG03794,BMG_DG097448,,,,
BMGC_DG03795,BMG_DG097572,,,,
BMGC_DG03796,BMG_DG097573,,,,
BMGC_DG03797,BMG_DG097579,C1C2CC3(CC1CC(C2)(C3)C(=O)NCC4=CC=NC=C4)C5=CC=C(C=C5)Cl,O=C(NCc1ccncc1)C23CC4(c5ccc(Cl)cc5)CC(CC(C4)C2)C3,"InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)",CAOTVXGYTWCKQE-UHFFFAOYSA-N
BMGC_DG03798,BMG_DG097582,C1CNCCC1OC2=CC3=C(C=C2)C(=O)NC=C3,c1(c2ccc(cc2cc[nH]1)OC3CCNCC3)=O,"InChI=1S/C14H16N2O2/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11/h1-3,8-9,11,15H,4-7H2,(H,16,17)",IPEXHQGMTHOKQV-UHFFFAOYSA-N
BMGC_DG03799,BMG_DG097592,O.O[Si](=O)O.O[Si](=O)O.[Mg+2].[Al+3].[Al+3],,InChI=1S/2Al.Mg.2H2O3Si.H2O/c;;;2*1-4(2)3;/h;;;2*1-2H;1H2/q2*+3;+2;;;,HZVVJJIYJKGMFL-UHFFFAOYSA-N
BMGC_DG03800,BMG_DG097597,CCCCCCCCC(=O)OC,COC(=O)CCCCCCCC,"InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3",IJXHLVMUNBOGRR-UHFFFAOYSA-N
BMGC_DG03801,BMG_DG097626,C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)O,C([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](N)[C@@H](C)O)=O)CCCCN)=O)=O)CCCNC(=N)N)(=O)O,"InChI=1S/C21H40N8O6/c1-12(30)16(23)18(32)27-13(6-2-3-9-22)19(33)29-11-5-8-15(29)17(31)28-14(20(34)35)7-4-10-26-21(24)25/h12-16,30H,2-11,22-23H2,1H3,(H,27,32)(H,28,31)(H,34,35)(H4,24,25,26)/t12-,13+,14+,15+,16+/m1/s1",IESDGNYHXIOKRW-YXMSTPNBSA-N
BMGC_DG03802,BMG_DG097652,C#CC1=C(C=CC2=CC(=CC(=C21)C3=NC=C4C(=C3F)N=C(N=C4N5CC6CCC(C5)N6)OC[C@@]78CCCN7C[C@@H](C8)F)O)F,C#Cc1c(F)ccc2c1c(cc(O)c2)-c3ncc4c(c3F)nc(OC[C@]56CCCN6C[C@@H](C5)F)nc4N7CC8NC(C7)CC8,"InChI=1S/C33H31F3N6O2/c1-2-23-26(35)7-4-18-10-22(43)11-24(27(18)23)29-28(36)30-25(13-37-29)31(41-15-20-5-6-21(16-41)38-20)40-32(39-30)44-17-33-8-3-9-42(33)14-19(34)12-33/h1,4,7,10-11,13,19-21,38,43H,3,5-6,8-9,12,14-17H2/t19-,20?,21?,33+/m1/s1",SCLLZBIBSFTLIN-IFMUVJFISA-N
BMGC_DG03803,BMG_DG097653,,,,
BMGC_DG03804,BMG_DG097667,CN(C)CC1=C(C=CC(=N1)NC2=C3C(=C(C=C2)C4=CN=C5N4C=CC(=C5)F)CNC3=O)[C@@H]6CCOC6,,"InChI=1S/C27H27FN6O2/c1-33(2)14-22-18(16-8-10-36-15-16)4-6-24(32-22)31-21-5-3-19(20-12-30-27(35)26(20)21)23-13-29-25-11-17(28)7-9-34(23)25/h3-7,9,11,13,16H,8,10,12,14-15H2,1-2H3,(H,30,35)(H,31,32)/t16-/m1/s1",QOMXZMCZISKNPU-MRXNPFEDSA-N
BMGC_DG03805,BMG_DG097683,CCCCOC1=CC2=C(C=C1)C=CC(=O)O2,CCCCOc1ccc2ccc(=O)oc2c1,"InChI=1S/C13H14O3/c1-2-3-8-15-11-6-4-10-5-7-13(14)16-12(10)9-11/h4-7,9H,2-3,8H2,1H3",BDOGTORASJEUBW-UHFFFAOYSA-N
BMGC_DG03806,BMG_DG097694,C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl,c1(c(cc2c(c1)Oc3c(O2)cc(c(c3)Cl)Cl)Cl)Cl,InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H,HGUFODBRKLSHSI-UHFFFAOYSA-N
BMGC_DG03807,BMG_DG097697,,C(CC(O)=O)C1(C)C(Cc2c(OC)c(C)c3c(c2O)C(=O)OC3)C1,,QVUZLDOXUBRWHS-UHFFFAOYSA-N
BMGC_DG03808,BMG_DG097705,,Cc1ccc(C(=O)CS(=O)(=O)c2ccccc2)cc1,,DITVWQPTRBYVRP-UHFFFAOYSA-N
BMGC_DG03809,BMG_DG097708,CC(C)C1=NC(=C(C=C1)C2=CN=C3N2N=C(S3)N4CCC(CC4)(CN)O)OC,s1c(N2CCC(O)(CC2)CN)nn3c1ncc3-c4ccc(nc4OC)C(C)C,"InChI=1S/C19H26N6O2S/c1-12(2)14-5-4-13(16(22-14)27-3)15-10-21-17-25(15)23-18(28-17)24-8-6-19(26,11-20)7-9-24/h4-5,10,12,26H,6-9,11,20H2,1-3H3",JYHSRMKXBAPFST-UHFFFAOYSA-N
BMGC_DG03810,BMG_DG097725,C[C@@H]1CN([C@H](CN1C(=O)C=C)C)C2=NC(=O)N3C4=C(C=CN=C4C(C)C)OCCOC5=C(C=CC(=C5C6=C(C=C2C3=N6)Cl)F)F,,"InChI=1S/C32H31ClF2N6O4/c1-6-24(42)39-14-18(5)40(15-17(39)4)30-19-13-20(33)27-25-21(34)7-8-22(35)29(25)45-12-11-44-23-9-10-36-26(16(2)3)28(23)41(31(19)37-27)32(43)38-30/h6-10,13,16-18H,1,11-12,14-15H2,2-5H3/t17-,18+/m1/s1",BBIVCWWQPMOKAC-MSOLQXFVSA-N
BMGC_DG03811,BMG_DG097730,CC1=C(C=C(C=C1)NC(=O)N2CC[C@H](C2)CC(F)(F)F)C3=CC(=NC(=C3)N4CCOCC4)N[C@H](C)CO,c1(cc(nc(c1)N[C@H](C)CO)N2CCOCC2)-c3c(ccc(NC(N4C[C@H](CC(F)(F)F)CC4)=O)c3)C,"InChI=1S/C26H34F3N5O3/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36)/t18-,19+/m1/s1",GZMYLSJUNSCMTD-MOPGFXCFSA-N
BMGC_DG03812,BMG_DG097734,,c12c(cc(OC)cc1)sc(n2)N,,KZHGPDSVHSDCMX-UHFFFAOYSA-N
BMGC_DG03813,BMG_DG097740,CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)C=C[C@@H]([C@H]3O)O,O[C@@H]1[C@H](C=Cc2c3c(c(c4c(c3C)cccc4)C)ccc12)O,"InChI=1S/C20H18O2/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18(21)20(17)22/h3-10,18,20-22H,1-2H3/t18-,20-/m0/s1",YZIIKMBFHLJAFT-ICSRJNTNSA-N
BMGC_DG03814,BMG_DG097748,CC1CC(CN1C(=O)CCCCCCCCCCC(=O)NC(COCCC(=O)NCCCNC(=O)CCCCOC2C(C(C(C(O2)CO)O)O)NC(=O)C)(COCCC(=O)NCCCNC(=O)CCCCOC3C(C(C(C(O3)CO)O)O)NC(=O)C)COCCC(=O)NCCCNC(=O)CCCCOC4C(C(C(C(O4)CO)O)O)NC(=O)C)O,,"InChI=1S/C78H139N11O30/c1-50-42-54(96)43-89(50)65(104)26-12-10-8-6-5-7-9-11-25-64(103)88-78(47-111-39-27-61(100)82-33-19-30-79-58(97)22-13-16-36-114-75-66(85-51(2)93)72(108)69(105)55(44-90)117-75,48-112-40-28-62(101)83-34-20-31-80-59(98)23-14-17-37-115-76-67(86-52(3)94)73(109)70(106)56(45-91)118-76)49-113-41-29-63(102)84-35-21-32-81-60(99)24-15-18-38-116-77-68(87-53(4)95)74(110)71(107)57(46-92)119-77/h50,54-57,66-77,90-92,96,105-110H,5-49H2,1-4H3,(H,79,97)(H,80,98)(H,81,99)(H,82,100)(H,83,101)(H,84,102)(H,85,93)(H,86,94)(H,87,95)(H,88,103)",RUPXJRIDSUCQAN-UHFFFAOYSA-N
BMGC_DG03815,BMG_DG097751,,c1([nH]c2ccc([S+](CCN3CCC(Cc4ccc(F)cc4)CC3)[O-])cc2o1)=O,,FCBQJNCAKZSIAH-UHFFFAOYSA-N
BMGC_DG03816,BMG_DG097752,C[C@@H]1[C@@H](CCN1CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3OC)NC)Cl,C(c1c(cc(c(c1)Cl)NC)OC)(=O)N[C@H]2[C@H](N(CC2)Cc3ccccc3)C,"InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m1/s1",KRVOJOCLBAAKSJ-RDTXWAMCSA-N
BMGC_DG03817,BMG_DG097771,CC(C)NC(C)CC1=CC=C(C=C1)[123I],[123I]c1ccc(CC(NC(C)C)C)cc1,"InChI=1S/C12H18IN/c1-9(2)14-10(3)8-11-4-6-12(13)7-5-11/h4-7,9-10,14H,8H2,1-3H3/i13-4",ISEHJSHTIVKELA-DCWJVSPSSA-N
BMGC_DG03818,BMG_DG097776,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O,c1(cc2ccc(cc2cc1)OC)[C@@H](C(=O)O)C,"InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1",CMWTZPSULFXXJA-VIFPVBQESA-N
BMGC_DG03819,BMG_DG097785,C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4,c12c(ncnc1cc(OCCCN3CCOCC3)c(c2)NC(C=C)=O)Nc4cc(Cl)c(cc4)F,"InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)",OMZCMEYTWSXEPZ-UHFFFAOYSA-N
BMGC_DG03820,BMG_DG097787,C[C@H](C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F.Cl,C(c1cc(CCCN[C@@H](c2c3c(cccc3)ccc2)C)ccc1)(F)(F)F.Cl,"InChI=1S/C22H22F3N.ClH/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3;1H/t16-;/m1./s1",QANQWUQOEJZMLL-PKLMIRHRSA-N
BMGC_DG03821,BMG_DG097790,C[C@H](C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F,C(c1cc(CCCN[C@@H](c2c3c(cccc3)ccc2)C)ccc1)(F)(F)F,"InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1",VDHAWDNDOKGFTD-MRXNPFEDSA-N
BMGC_DG03822,BMG_DG097795,CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5,c1(n(nc(c1)C(C)(C)C)-c2ccc(cc2)C)NC(Nc3c4c(cccc4)c(cc3)OCCN5CCOCC5)=O,"InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)",MVCOAUNKQVWQHZ-UHFFFAOYSA-N
BMGC_DG03823,BMG_DG097812,,Cn1cnc2ccc(Oc3c(F)ccc(NS(=O)(=O)N4CC[C@@H](F)C4)c3C#N)cc2c1=O,,ZUXPFTYMSHPRQX-GFCCVEGCSA-N
BMGC_DG03824,BMG_DG097822,CCN(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=C(N=CN=N2)N3CCC4(C3)CN(C4)[C@H](CCCN(C)CCOC)C(C)C,C(CCN(C)CCOC)[C@@H](N1CC2(CCN(C2)c3c(Oc4c(C(N(C(C)C)CC)=O)cc(F)cc4)nncn3)C1)C(C)C,"InChI=1S/C32H50FN7O3/c1-8-40(24(4)5)31(41)26-18-25(33)11-12-28(26)43-30-29(34-22-35-36-30)38-15-13-32(19-38)20-39(21-32)27(23(2)3)10-9-14-37(6)16-17-42-7/h11-12,18,22-24,27H,8-10,13-17,19-21H2,1-7H3/t27-/m1/s1",PDUGAXSIWNMIBQ-HHHXNRCGSA-N
BMGC_DG03825,BMG_DG097826,CC1=CC2=C(C=NN2)C(=C1Cl)C3=C(N(N=C3C4=CC5=C(C=C4)N(N=C5)C)C6CC7(C6)CN(C7)C(=O)C=C)C,n1n(C)c2ccc(cc2c1)-c3c(c(n(C4CC5(CN(C(C=C)=O)C5)C4)n3)C)-c6c(c(C)cc7c6cn[nH]7)Cl,"InChI=1S/C29H28ClN7O/c1-5-24(38)36-14-29(15-36)10-20(11-29)37-17(3)25(26-21-13-31-33-22(21)8-16(2)27(26)30)28(34-37)18-6-7-23-19(9-18)12-32-35(23)4/h5-9,12-13,20H,1,10-11,14-15H2,2-4H3,(H,31,33)",AZUYLZMQTIKGSC-UHFFFAOYSA-N
BMGC_DG03826,BMG_DG097831,,c1(ccccc1)OCCN,,IMLAIXAZMVDRGA-UHFFFAOYSA-N
BMGC_DG03827,BMG_DG097838,CC1=C(C=CC=C1[C@@H](C)NC2=NN=C(C3=CN=C(C=C32)N4CCOCC4)C)C#N,c1(cccc(c1C)[C@H](Nc2c3c(c(C)nn2)cnc(N4CCOCC4)c3)C)C#N,"InChI=1S/C22H24N6O/c1-14-17(12-23)5-4-6-18(14)15(2)25-22-19-11-21(28-7-9-29-10-8-28)24-13-20(19)16(3)26-27-22/h4-6,11,13,15H,7-10H2,1-3H3,(H,25,27)/t15-/m1/s1",ILPWEAHQRAWJIU-OAHLLOKOSA-N
BMGC_DG03828,BMG_DG097842,C[C@@H]1[C@H](CN1C2=C3C=NC(=CC3=C(C=C2)C(C)C)NC4=NC(=NC=C4)N5CC[C@H]([C@H](C5)F)OC)CS(=O)(=O)C,c1c(Nc2ncc3c(ccc(c3c2)C(C)C)N4C[C@@H]([C@H]4C)CS(=O)(=O)C)nc(N5C[C@@H]([C@@H](CC5)OC)F)nc1,"InChI=1S/C28H37FN6O3S/c1-17(2)20-6-7-24(35-14-19(18(35)3)16-39(5,36)37)22-13-31-27(12-21(20)22)32-26-8-10-30-28(33-26)34-11-9-25(38-4)23(29)15-34/h6-8,10,12-13,17-19,23,25H,9,11,14-16H2,1-5H3,(H,30,31,32,33)/t18-,19-,23+,25-/m1/s1",LIMFPAAAIVQRRD-BCGVJQADSA-N
BMGC_DG03829,BMG_DG097859,,C1(c2c(cccc2)CC(C1)NC)c3ccccc3,,HLOCJJORRHQDKS-UHFFFAOYSA-N
BMGC_DG03830,BMG_DG098218,[CH3-].CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)C(=C7[C@@]([C@@H](C(=N7)C=C8C([C@@H](C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3],,"InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",ZFLASALABLFSNM-WZHZPDAFSA-L
BMGC_DG03831,BMG_DG098478,CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.Cl.[Co+2],,"InChI=1S/C62H90N13O14P.ClH.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H;;1H2/q;;+2;/p-2",BBQILPBAMXKFOB-UHFFFAOYSA-L
BMGC_DG03832,BMG_DG098505,CC1=CN=C(C=C1)C2=NC=C(C=C2)C,c1c(ccc(n1)-c2ccc(cn2)C)C,"InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3",PTRATZCAGVBFIQ-UHFFFAOYSA-N
BMGC_DG03833,BMG_DG098535,CC1=C(ON=C1NS(=O)(=O)C2=CC=CC=C2C3=C(C=C(C=C3)C4=NC=CO4)CN(C)C(=O)CC(C)(C)C)C,S(=O)(=O)(c1c(cccc1)-c2ccc(cc2CN(C(CC(C)(C)C)=O)C)-c3ncco3)Nc4c(C)c(C)on4,"InChI=1S/C28H32N4O5S/c1-18-19(2)37-30-26(18)31-38(34,35)24-10-8-7-9-23(24)22-12-11-20(27-29-13-14-36-27)15-21(22)17-32(6)25(33)16-28(3,4)5/h7-15H,16-17H2,1-6H3,(H,30,31)",ORJRYNKVKJAJPY-UHFFFAOYSA-N
BMGC_DG03834,BMG_DG098540,C(CS)O,SCCO,"InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2",DGVVWUTYPXICAM-UHFFFAOYSA-N
BMGC_DG03835,BMG_DG098543,,S1(c2c(cc(c(S(=O)(=O)N)c2)Cl)NC(N1)CSCC(F)(F)F)(=O)=O,,RINBGYCKMGDWPY-UHFFFAOYSA-N
BMGC_DG03836,BMG_DG098547,CC1=C(C(=NC=C1)C(C)C)N2C3=NC(=C(C=C3C4=C(C2=O)N(C(=O)[C@@H]5N4CCN(C5)C(=O)C=C)C)Cl)C6=C(C=CC=C6F)O,,"InChI=1S/C32H30ClFN6O4/c1-6-23(42)38-12-13-39-21(15-38)31(43)37(5)29-28(39)18-14-19(33)26(24-20(34)8-7-9-22(24)41)36-30(18)40(32(29)44)27-17(4)10-11-35-25(27)16(2)3/h6-11,14,16,21,41H,1,12-13,15H2,2-5H3/t21-/m1/s1",PYKBFRQMXJWLGG-OAQYLSRUSA-N
BMGC_DG03837,BMG_DG098587,,O=c1c2c(c3c(cc2)OC(C)(C)C=C3)occ1-c4c(OC)cc(OC)c(OC)c4,,OBIUGMGQVQMVSK-UHFFFAOYSA-N
BMGC_DG03838,BMG_DG098602,C1=CC(=C(C=C1Cl)Cl)CO,c1(c(ccc(c1)Cl)CO)Cl,"InChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2",DBHODFSFBXJZNY-UHFFFAOYSA-N
BMGC_DG03839,BMG_DG098617,CC1=C(C(=C(C=C1)O)C)N2C(=C(C3=C2N=C(C(=C3)C)C)C(=O)N)N,c1c(C)c(nc2c1c(C(N)=O)c(n2-c3c(ccc(c3C)O)C)N)C,"InChI=1S/C18H20N4O2/c1-8-5-6-13(23)10(3)15(8)22-16(19)14(17(20)24)12-7-9(2)11(4)21-18(12)22/h5-7,23H,19H2,1-4H3,(H2,20,24)",ARBRHWRTXPWZGN-UHFFFAOYSA-N
BMGC_DG03840,BMG_DG098625,,NC1=NCCS1,,REGFWZVTTFGQOJ-UHFFFAOYSA-N
BMGC_DG03841,BMG_DG098626,,c12c(cccn1)[nH]c(n2)-c3c(cc(cc3)OC)OC,,XQRDAEMFUZSXOO-UHFFFAOYSA-N
BMGC_DG03842,BMG_DG098636,,O(C)c1c2c([nH]c(C(N[C@H](C(N[C@@H](C[C@H]3C(=O)NCC3)C#N)=O)CC(C)C)=O)c2)ccc1,,ZYTJDBYJYAWQKF-MPGHIAIKSA-N
BMGC_DG03843,BMG_DG099228,C1=CC(=S)N(C=C1)O,[n+]1(c(S)cccc1)[O-],"InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,7H",YBBJKCMMCRQZMA-UHFFFAOYSA-N;FGVVTMRZYROCTH-UHFFFAOYSA-N
BMGC_DG03844,BMG_DG099298,,c1c(F)cc(CCNC(C2(CCN(CCc3ccccc3)CC2)N(C(CC)=O)Cc4ccccc4)=O)cc1,,SZQGSEKOXWECKF-UHFFFAOYSA-N
BMGC_DG03845,BMG_DG099313,,[C@H](N)(C=C)CCC(=O)O,,PJDFLNIOAUIZSL-YFKPBYRVSA-N
BMGC_DG03846,BMG_DG099320,CC1=CC(=CC(=C1O[C@H](CC2=CC=CC=C2)C(=O)O)C)C3=C4C(=C(SC4=C(C5=CC=CC=C53)Br)C)C,c12c(c(-c3cc(C)c(c(c3)C)O[C@@H](C(=O)O)Cc4ccccc4)c5c(c1Br)cccc5)c(C)c(s2)C,"InChI=1S/C31H27BrO3S/c1-17-14-22(15-18(2)29(17)35-25(31(33)34)16-21-10-6-5-7-11-21)27-23-12-8-9-13-24(23)28(32)30-26(27)19(3)20(4)36-30/h5-15,25H,16H2,1-4H3,(H,33,34)/t25-/m1/s1",FONCZICQWCUXEB-RUZDIDTESA-N
BMGC_DG03847,BMG_DG099341,COC1=CC2=C(C3=CC(=CC(=C3N=C2C=C1)CO)OC)SC[C@H]4CCNC4,,"InChI=1S/C21H24N2O3S/c1-25-15-3-4-19-17(8-15)21(27-12-13-5-6-22-10-13)18-9-16(26-2)7-14(11-24)20(18)23-19/h3-4,7-9,13,22,24H,5-6,10-12H2,1-2H3/t13-/m0/s1",PBGPFWACZLCJFH-ZDUSSCGKSA-N
BMGC_DG03848,BMG_DG099359,C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)F,FC1(C(C(C(C(C1(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)F,"InChI=1S/C10F20/c11-2(1(8(22,23)24,9(25,26)27)10(28,29)30)3(12,13)5(16,17)7(20,21)6(18,19)4(2,14)15",VLTXBOGHSBHSAC-UHFFFAOYSA-N
BMGC_DG03849,BMG_DG099378,CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C)C(=C3CCC(=O)O)C)CCC(=O)O.[Fe+2],,"InChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-2/b29-16+,30-18+,38-24?,39-25?,40-26?,41-24?,42-25?,43-27?,44-27?,45-26?;",FISPASSVCDRERW-BSMVMXCYSA-L
BMGC_DG03850,BMG_DG099386,C1CNCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O,C(c1ccccc1)(c2ccccc2)(C3CCNCC3)O,"InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2",ZMISODWVFHHWNR-UHFFFAOYSA-N
BMGC_DG03851,BMG_DG099400,,c1(cc(c(Cl)cc1)Cl)CO,,FVJIUQSKXOYFKG-UHFFFAOYSA-N
BMGC_DG03852,BMG_DG099417,[OH],,InChI=1S/HO/h1H,TUJKJAMUKRIRHC-UHFFFAOYSA-N
BMGC_DG03853,BMG_DG099420,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)O)O)O)O,OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)O)O,"InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1",VQHSOMBJVWLPSR-JVCRWLNRSA-N
BMGC_DG03854,BMG_DG099431,CC[C@@H]1CCN[C@@H](C1)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl,[C@@]1([C@](NC(=O)[C@H]2NCC[C@@H](CC)C2)([C@H](C)Cl)[H])(O[C@H](SC)[C@@H]([C@@H](O)[C@H]1O)O)[H],"InChI=1S/C17H31ClN2O5S/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24)/t8-,9+,10-,11+,12-,13+,14+,15+,17+/m0/s1",HBJOXQRURQPDEX-MHXMMLMNSA-N
BMGC_DG03855,BMG_DG099435,,C(CN)c1c2c([nH]c1C)ccc(O)c2,,WYWNEDARFVJQSG-UHFFFAOYSA-N
BMGC_DG03856,BMG_DG099441,,c1c(c(cc(c1O)CC=C(C)C)C(CC(c2ccc(c(c2)CC=C(C)C)O)=O)=O)O,,VDOHBGQSFOWYTB-UHFFFAOYSA-N
BMGC_DG03857,BMG_DG099477,CC(C(=O)C1=CC=CC=C1)NC,c1(C(C(NC)C)=O)ccccc1,"InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3",LPLLVINFLBSFRP-UHFFFAOYSA-N
BMGC_DG03858,BMG_DG099492,,c1ccc(nc1C)N,,QUXLCYFNVNNRBE-UHFFFAOYSA-N
BMGC_DG03859,BMG_DG099504,CN1CCC[C@@H]1C2=CN=CC=C2,N1([C@@H](c2cnccc2)CCC1)C,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1",SNICXCGAKADSCV-SNVBAGLBSA-N
BMGC_DG03860,BMG_DG099509,,ClCCN1C(=O)O[C@@]2(C1=O)[C@@]3([H])[C@]4(CCN5[C@@]4([H])[C@@](CC)(C=CC5)C2)c6cc([C@@]7(C(=O)OC)C[C@@H]8C[C@](CC)(O)C[N@](CCc9c%10c([nH]c97)cccc%10)C8)c(OC)cc6N3C,,NUXKIZBEPYVRKP-RWBWKAGLSA-N
BMGC_DG03861,BMG_DG099512,,c12c(c(ccc1Cl)Cl)cccc2,,JDPKCYMVSKDOGS-UHFFFAOYSA-N
BMGC_DG03862,BMG_DG099515,CC(C)(CCCCOCCCCC(C)(C)C(=O)O)C(=O)O,OC(=O)C(CCCCOCCCCC(C(O)=O)(C)C)(C)C,"InChI=1S/C16H30O5/c1-15(2,13(17)18)9-5-7-11-21-12-8-6-10-16(3,4)14(19)20/h5-12H2,1-4H3,(H,17,18)(H,19,20)",SDMBRCRVFFHJKR-UHFFFAOYSA-N
BMGC_DG03863,BMG_DG099519,,C=1([C@H](C(C(=O)OC)=C(NC1C)C)c2cc([N+]([O-])=O)ccc2)C(=O)OCC,,PVHUJELLJLJGLN-INIZCTEOSA-N
BMGC_DG03864,BMG_DG099558,C1=CC=C2C(=C1)C(=CN2CC(=O)O)CC3=NC4=C(C(=CC(=C4S3)F)F)F,c12c(sc(n1)Cc3cn(CC(=O)O)c4c3cccc4)c(F)cc(c2F)F,"InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)",KYHVTMFADJNSGS-UHFFFAOYSA-N
BMGC_DG03865,BMG_DG099591,,c12c(c(F)ccc1OC[C@H]3OCCNC3)CCC2,,HTODIQZHVCHVGM-JTQLQIEISA-N
BMGC_DG03866,BMG_DG099593,CCCCC([C@]1(CC[C@H]2[C@H](O1)CC(=O)[C@@H]2CCCCCCC(=O)O)O)(F)F,O1[C@@](CC[C@@]2([C@H](C(C[C@]21[H])=O)CCCCCCC(O)=O)[H])(O)C(F)(F)CCCC,"InChI=1S/C20H32F2O5/c1-2-3-11-19(21,22)20(26)12-10-15-14(16(23)13-17(15)27-20)8-6-4-5-7-9-18(24)25/h14-15,17,26H,2-13H2,1H3,(H,24,25)/t14-,15-,17-,20-/m1/s1",WGFOBBZOWHGYQH-MXHNKVEKSA-N
BMGC_DG03867,BMG_DG099594,COC(=O)CCC(=O)CN.Cl,C(=O)(CCC(=O)CN)OC.Cl,"InChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H",UJYSYPVQHFNBML-UHFFFAOYSA-N
BMGC_DG03868,BMG_DG099595,COC(=O)CCC(=O)CN,C(=O)(CCC(=O)CN)OC,"InChI=1S/C6H11NO3/c1-10-6(9)3-2-5(8)4-7/h2-4,7H2,1H3",YUUAYBAIHCDHHD-UHFFFAOYSA-N
BMGC_DG03869,BMG_DG099597,CCCCCCCCCCCCCCCCCCN,NCCCCCCCCCCCCCCCCCC,"InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3",REYJJPSVUYRZGE-UHFFFAOYSA-N
BMGC_DG03870,BMG_DG099642,C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@H]1C)OC)OC)OC)OC)OCO3,O1c2c(OC)c3-c4c(OC)c(OC)c(OC)cc4C[C@@H](C)[C@@H](C)Cc3cc2OC1,"InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13+/m1/s1",RTZKSTLPRTWFEV-OLZOCXBDSA-N
BMGC_DG03871,BMG_DG099665,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O,C[C@]12CC[C@@H](O)C[C@]1([H])CC[C@@]3([H])[C@@]4([H])[C@](C)(CC[C@@]32[H])[C@@H](O)CC4,"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1",CBMYJHIOYJEBSB-KHOSGYARSA-N
BMGC_DG03872,BMG_DG099669,CC(=CCC1=C(C2=C(C=C1O)OCC3=C2OC4=C3C=CC(=C4)O)OC)C,COc1c(CC=C(C)C)c(O)cc2c1-c3oc4cc(O)ccc4c3CO2,"InChI=1S/C21H20O5/c1-11(2)4-6-14-16(23)9-18-19(20(14)24-3)21-15(10-25-18)13-7-5-12(22)8-17(13)26-21/h4-5,7-9,22-23H,6,10H2,1-3H3",AEAIWNGAMDGGNB-UHFFFAOYSA-N
BMGC_DG03873,BMG_DG099670,CC(=CCC1=C(C(=CC(=C1)C2=COC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)O)O)C,,"InChI=1S/C25H26O6/c1-13(2)5-7-15-9-16(10-21(28)23(15)29)18-12-31-25-17(8-6-14(3)4)19(26)11-20(27)22(25)24(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3",DPLWUTYEBRKBLI-UHFFFAOYSA-N
BMGC_DG03874,BMG_DG099692,,c1(ccc(cc1)/C=C/C(N[C@H](C(O)=O)Cc2ccc(cc2)O)=O)O,,LEEDEKWKJVUWGA-YKXBDCQTSA-N
BMGC_DG03875,BMG_DG099708,CCOC1=CC2=C(C=C1)N(C(=O)C23CCC(CC3)OCCN4CCOCC4)S(=O)(=O)C5=C(C=C(C=C5)C(=O)NC(C)(C)C)OC,S(N1C([C@]2(c3c1ccc(c3)OCC)CC[C@H](OCCN4CCOCC4)CC2)=O)(c5c(OC)cc(cc5)C(NC(C)(C)C)=O)(=O)=O,"InChI=1S/C33H45N3O8S/c1-6-43-25-8-9-27-26(22-25)33(13-11-24(12-14-33)44-20-17-35-15-18-42-19-16-35)31(38)36(27)45(39,40)29-10-7-23(21-28(29)41-5)30(37)34-32(2,3)4/h7-10,21-22,24H,6,11-20H2,1-5H3,(H,34,37)",QKXJWFOKVQWEDZ-VCCCEUOBSA-N;QKXJWFOKVQWEDZ-UHFFFAOYSA-N
BMGC_DG03876,BMG_DG099710,,C(N(C)c1ccc(C(N[C@@H](CCC(O)=O)C(O)=O)=O)cc1)c2c3c(oc2)nc(N)nc3N,,WXINNGCGSCFUCR-ZDUSSCGKSA-N
BMGC_DG03877,BMG_DG099712,CCC1=C(C2=CC3=NC(=CN=C4C=C(C(=CC4=NC=C5C(=C(C(=N5)C=C1[N-]2)CCCO)C)OCCOCCOCCOC)OCCOCCOCCOC)C(=C3CCCO)C)CC.CC(=O)[O-].CC(=O)[O-].[Gd+3],[n-]1c2cc3C(=C(c(cnc4c(ncc5C(=C(CCCO)c(n5)cc1c(c2CC)CC)C)cc(c(c4)OCCOCCOCCOC)OCCOCCOCCOC)n3)C)CCCO.[Gd+3].[O-]C(=O)C.[O-]C(=O)C,"InChI=1S/C48H66N5O10.2C2H4O2.Gd/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;/h27-32,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);/q-1;;;+3/p-2",VAZLWPAHMORDGR-WRIGXHCHSA-L;VAZLWPAHMORDGR-UHFFFAOYSA-L
BMGC_DG03878,BMG_DG099714,,c1(C[C@H](N)C(=O)O)c(C)o[nH]c1=O,,UUDAMDVQRQNNHZ-YFKPBYRVSA-N
BMGC_DG03879,BMG_DG099750,C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3],[O-]C(=O)CN1CCN(CCN(CCN(CC1)CC([O-])=O)CC([O-])=O)CC(O)=O.[Gd+3],"InChI=1S/C16H28N4O8.Gd/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3",GFSTXYOTEVLASN-UHFFFAOYSA-K
BMGC_DG03880,BMG_DG099773,C1=CC(=CC=C1O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,OC[C@H]1O[C@H](Oc2ccc(cc2)O)[C@H](O)[C@H]([C@@H]1O)O,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12+/m1/s1",BJRNKVDFDLYUGJ-ZIQFBCGOSA-N
BMGC_DG03881,BMG_DG099797,,c1(OC2CCCC2)c(OC)ccc([C@H]3CNC(=O)C3)c1,,HJORMJIFDVBMOB-GFCCVEGCSA-N
BMGC_DG03882,BMG_DG099802,CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O,c1(c(nc(n1Cc2ccc(-c3c(-c4nnn[nH]4)cccc3)cc2)CCC)C(O)(C)C)C(O)=O,"InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)",VTRAEEWXHOVJFV-UHFFFAOYSA-N
BMGC_DG03883,BMG_DG099803,C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@H](CO)[C@@H](C)O)O,C(CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)N[C@@H](C(=O)N[C@@H]2C(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@H](C(N[C@@H](CSSC2)C(N[C@H](CO)[C@@H](C)O)=O)=O)[C@@H](C)O)=O)CCCCN)=O)Cc3c[nH]c4ccccc34)=O)Cc5ccc(cc5)O)=O)Cc6ccccc6)(=O)O,"InChI=1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1",RZHKDBRREKOZEW-AAXZNHDCSA-N
BMGC_DG03884,BMG_DG099804,C1[C@@H](OC2=C(O1)C=CC3=C2CC(=O)N3)CNCC4=CC=CC=C4,c12c3O[C@H](COc3ccc2NC(C1)=O)CNCc4ccccc4,"InChI=1S/C18H18N2O3/c21-17-8-14-15(20-17)6-7-16-18(14)23-13(11-22-16)10-19-9-12-4-2-1-3-5-12/h1-7,13,19H,8-11H2,(H,20,21)/t13-/m0/s1",DYJIKHYBKVODAC-ZDUSSCGKSA-N
BMGC_DG03885,BMG_DG099811,C1COC[C@@H]1NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO)O)c3c(c(N[C@@H]4CCOC4)ncn3)nc1,"InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7-,8-,10-,11-,14-/m1/s1",OESBDSFYJMDRJY-BAYCTPFLSA-N
BMGC_DG03886,BMG_DG099812,,,,
BMGC_DG03887,BMG_DG099816,C1=CC(=CC=C1CC(=O)O)Cl,c1(ccc(Cl)cc1)CC(O)=O,"InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)",CDPKJZJVTHSESZ-UHFFFAOYSA-N
BMGC_DG03888,BMG_DG099834,CC1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(N(C2=O)CC(=O)NCCON=C(N)N)C,,"InChI=1S/C18H24N6O5S/c1-12-4-3-5-14(10-12)30(27,28)23-15-7-6-13(2)24(17(15)26)11-16(25)21-8-9-29-22-18(19)20/h3-7,10,23H,8-9,11H2,1-2H3,(H,21,25)(H4,19,20,22)",GHCPCZIUEYRYJT-UHFFFAOYSA-N
BMGC_DG03889,BMG_DG099848,,CNCCC(Oc1ccccc1)c2ccccc2,,DMOUAPYFRKLFHO-UHFFFAOYSA-N
BMGC_DG03890,BMG_DG099855,,c1(=O)n(C)c(=O)c2n(C[C@H](C)O)cnc2n1C,,KYHQZNGJUGFTGR-LURJTMIESA-N
BMGC_DG03891,BMG_DG099856,,c1(=O)n(C)c(=O)c2n(C[C@@H](C)O)cnc2n1C,,KYHQZNGJUGFTGR-ZCFIWIBFSA-N
BMGC_DG03892,BMG_DG099858,CC(CC1=CC(=CC=C1)C(F)(F)F)N,c1(cc(ccc1)C(F)(F)F)CC(C)N,"InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3",MLBHFBKZUPLWBD-UHFFFAOYSA-N
BMGC_DG03893,BMG_DG099863,CN1C2=C(N=CC(=C2)C3=CC=C(C=C3)O)N=C1N,Cn1c2c(nc1N)ncc(c2)-c3ccc(O)cc3,"InChI=1S/C13H12N4O/c1-17-11-6-9(7-15-12(11)16-13(17)14)8-2-4-10(18)5-3-8/h2-7,18H,1H3,(H2,14,15,16)",UGJXOCBVCWTJFP-UHFFFAOYSA-N
BMGC_DG03894,BMG_DG099869,CC(CCC(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C,,"InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3",FCKJYANJHNLEEP-UHFFFAOYSA-N
BMGC_DG03895,BMG_DG099879,C[C@@]12CC[C@@H](C1(C)C)CC2=O,[C@]12(C([C@@H](CC1=O)CC2)(C)C)C,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",DSSYKIVIOFKYAU-XCBNKYQSSA-N
BMGC_DG03896,BMG_DG099880,,S(SCCO)CCO,,KYNFOMQIXZUKRK-UHFFFAOYSA-N
BMGC_DG03897,BMG_DG099890,,O(C(C)=O)I1(OC(c2c1cccc2)=O)(OC(=O)C)OC(=O)C,,NKLCNNUWBJBICK-UHFFFAOYSA-N
BMGC_DG03898,BMG_DG099893,C[N+](C)(C)C1=CC=CC=C1,c1(ccccc1)[N+](C)(C)C,"InChI=1S/C9H14N/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1",ZNEOHLHCKGUAEB-UHFFFAOYSA-N
BMGC_DG03899,BMG_DG099928,C=CCN.C1C(O1)CCl.Cl,,"InChI=1S/C3H5ClO.C3H7N.ClH/c4-1-3-2-5-3;1-2-3-4;/h3H,1-2H2;2H,1,3-4H2;1H",KHNXRSIBRKBJDI-UHFFFAOYSA-N
BMGC_DG03900,BMG_DG099930,,,,
BMGC_DG03901,BMG_DG099938,CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O,n1(c([nH]c(c(c1)C)=O)=O)[C@H]2O[C@@H](CO)[C@@H](C2)O,"InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1",IQFYYKKMVGJFEH-CSMHCCOUSA-N
BMGC_DG03902,BMG_DG099940,,S(c1c(cc(-c2c(nc(o2)C)C3CCCCC3)cc1)F)(=O)(=O)N,,MIMJSJSRRDZIPW-UHFFFAOYSA-N
BMGC_DG03903,BMG_DG099948,,c12c(c(C(Nc3[nH]nnn3)=O)sc1ccc(c2)OC)OC(C)C,,TVVXHFWWAYXBNC-UHFFFAOYSA-N
BMGC_DG03904,BMG_DG099953,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,n1c(N)c2ncn([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)c2nc1,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1",WHTCPDAXWFLDIH-KQYNXXCUSA-N
BMGC_DG03905,BMG_DG099956,CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C,,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3",JWUBBDSIWDLEOM-UHFFFAOYSA-N
BMGC_DG03906,BMG_DG099962,CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N,c1(c2c(ccc([C@@](c3n(cnc3)C)(c4ccc(cc4)Cl)N)c2)n(c(c1)=O)C)-c5cc(Cl)ccc5,"InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m1/s1",PLHJCIYEEKOWNM-HHHXNRCGSA-N
BMGC_DG03907,BMG_DG099963,CC[C@@H]1C[C@@H](C2=C(N1C(=O)OCC)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC,c12c(N([C@H](CC)C[C@@H]1N(C(=O)OC)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)OCC)ccc(C(F)(F)F)c2,"InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1",CMSGWTNRGKRWGS-NQIIRXRSSA-N
BMGC_DG03908,BMG_DG099964,CC1=CC(=C(C=C1)OC2=CC=CC=C2C3=CSC(=N3)NC4=NCCCN4)C,c1(ccc(cc1C)C)Oc2ccccc2-c3csc(n3)N=C4NCCCN4,"InChI=1S/C21H22N4OS/c1-14-8-9-18(15(2)12-14)26-19-7-4-3-6-16(19)17-13-27-21(24-17)25-20-22-10-5-11-23-20/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,22,23,24,25)",TYBHXIFFPVFXQW-UHFFFAOYSA-N
BMGC_DG03909,BMG_DG099999,CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-],,"InChI=1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)/p-3",IWLROWZYZPNOFC-UHFFFAOYSA-K
BMGC_DG03910,BMG_DG100000,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)N,,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1",UDMBCSSLTHHNCD-KQYNXXCUSA-L
BMGC_DG03911,BMG_DG100005,C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)([O-])[O-])O)O)O)C(=O)N,,"InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p-3/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",XJLXINKUBYWONI-NNYOXOHSSA-K
BMGC_DG03912,BMG_DG100024,C1CCC(C1)OC(=O)[C@H](C2=CC=CC=C2)NCC3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO,O=C(OC1CCCC1)[C@@H](NCc2ccc(NC(=O)CCCCCCC(NO)=O)cc2)c3ccccc3,"InChI=1S/C28H37N3O5/c32-25(14-6-1-2-7-15-26(33)31-35)30-23-18-16-21(17-19-23)20-29-27(22-10-4-3-5-11-22)28(34)36-24-12-8-9-13-24/h3-5,10-11,16-19,24,27,29,35H,1-2,6-9,12-15,20H2,(H,30,32)(H,31,33)/t27-/m0/s1",GLNWREBYRLDPQP-MHZLTWQESA-N
BMGC_DG03913,BMG_DG100037,,c1(cc(Cc2c(C)cc(OCP(=O)(O)O)cc2C)ccc1O)C(C)C,,SVXLLCKJKRYATC-UHFFFAOYSA-N
BMGC_DG03914,BMG_DG100040,CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OC[P@@]3(=O)OCC[C@H](O3)C4=CC(=CC=C4)Cl,[P@@]1(COc2cc(C)c(c(c2)C)Cc3cc(c(cc3)O)C(C)C)(=O)O[C@H](c4cc(Cl)ccc4)CCO1,"InChI=1S/C28H32ClO5P/c1-18(2)25-14-21(8-9-27(25)30)15-26-19(3)12-24(13-20(26)4)32-17-35(31)33-11-10-28(34-35)22-6-5-7-23(29)16-22/h5-9,12-14,16,18,28,30H,10-11,15,17H2,1-4H3/t28-,35+/m0/s1",LGGPZDRLTDGYSQ-JADSYQMUSA-N
BMGC_DG03915,BMG_DG100048,,,,
BMGC_DG03916,BMG_DG100049,,,,
BMGC_DG03917,BMG_DG100050,,,,
BMGC_DG03918,BMG_DG100051,,,,
BMGC_DG03919,BMG_DG100052,C1=CC(=CC(=C1)OC(F)(F)F)C2=CC(=C(C(=C2)F)NC(=O)C3=C(SC=C3)C(=O)O)F,,"InChI=1S/C19H10F5NO4S/c20-13-7-10(9-2-1-3-11(6-9)29-19(22,23)24)8-14(21)15(13)25-17(26)12-4-5-30-16(12)18(27)28/h1-8H,(H,25,26)(H,27,28)",CGNHUSCKOHDSMR-UHFFFAOYSA-N
BMGC_DG03920,BMG_DG100054,,,,
BMGC_DG03921,BMG_DG100055,,,,
BMGC_DG03922,BMG_DG100056,,,,
BMGC_DG03923,BMG_DG100057,,,,
BMGC_DG03924,BMG_DG100059,,C(c1cc(C)c(c(c1)C)NC(=O)CC)(N2CCC(CC2)N(CCc3ccccc3)C)=O.Cl.O,,QRNMKZJPTYRAIL-UHFFFAOYSA-N
BMGC_DG03925,BMG_DG100060,,[C@H]1([C@@H](O)[C@H]([C@@H](O[C@H]1C)O[C@@]2(C=C3CC[C@@]4([C@@](CC[C@]5([C@@]4(CC[C@@H]5c6coc(cc6)=O)O)C)([H])[C@]3(CC2)C)[H])[H])O)OC,,RKWPZPDLTYBKCL-RVZGXXANSA-N
BMGC_DG03926,BMG_DG100074,C1[C@@H](O1)[C@@H]([C@@H]([C@@H]2CO2)O)O,C1[C@](O1)([C@@H](O)[C@@H](O)[C@@]2(OC2)[H])[H],"InChI=1S/C6H10O4/c7-5(3-1-9-3)6(8)4-2-10-4/h3-8H,1-2H2/t3-,4+,5+,6-",AAFJXZWCNVJTMK-GUCUJZIJSA-N
BMGC_DG03927,BMG_DG100104,,Oc1c2c(oc(cc2=O)-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(OC)c1OC,,RETJLKUBHXTIGH-FZFRBNDOSA-N
BMGC_DG03928,BMG_DG100105,,[H][C@@]1(CC[C@]2([C@@]3(CC([C@]4(C[C@H](CC[C@@]4([C@]3(CC[C@]12C)[H])C)O)O)=O)[H])[H])[C@@H](CCCC(C)C)C,,SJZZRXMQSAXCFD-ZCBMJONGSA-N
BMGC_DG03929,BMG_DG100120,,c1(c(cccc1)OC)CC(=O)NS(=O)(=O)Cc2cc(c(cc2)N3C(c4c(c5cccnc5c(c4C3)OCC)OCC)=O)C,,WVLIUERFVJYBNY-UHFFFAOYSA-N
BMGC_DG03930,BMG_DG100130,CNC1=C(C=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O)[18F],c1(cc2sc(-c3ccc(c(c3)[18F])NC)nc2cc1)O,"InChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3/i15-1",VVECGOCJFKTUAX-HUYCHCPVSA-N
BMGC_DG03931,BMG_DG100139,CN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)N=C(C4=CC=CS4)N,,"InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)",LHMBGXCQBZFVCE-UHFFFAOYSA-N
BMGC_DG03932,BMG_DG100141,CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC(=NC=N3)OC4=CC=C(C=C4)OC.OS(=O)(=O)O,OS(=O)(=O)O.c1c(ccc(c1)Oc2ncnc(c2)N(CCOc3ccc(cc3)CC4SC(NC4=O)=O)C)OC,"InChI=1S/C24H24N4O5S.H2O4S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20;1-5(2,3)4/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30);(H2,1,2,3,4)",IFBYQAMJTBOBHB-UHFFFAOYSA-N
BMGC_DG03933,BMG_DG100144,CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C,c1(ccc(N2C(C(C)(C)N(c3ccc(c(c3)F)C(NC)=O)C2=S)=O)cc1C(F)(F)F)C#N,"InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)",WXCXUHSOUPDCQV-UHFFFAOYSA-N
BMGC_DG03934,BMG_DG100145,,C1[C@@](CC[C@@]2(CC[C@@]3(C4=CC=C5C(=C(C(C=C5[C@@]4(CC[C@]3([C@@]21[H])C)C)=O)O)C)C)C)(C(=O)OC)C,,JFACETXYABVHFD-WXPPGMDDSA-N
BMGC_DG03935,BMG_DG100151,C1C[C@@H]2CC3=C(C[C@H]1[C@]24CN(S(=O)(=O)N4)CC(F)(F)F)C=CC(=C3)/C=C/CN5CCC(CC5)C(F)(F)F,C(C(F)(F)F)N1C[C@@]2([C@]3(Cc4c(C[C@@]2(CC3)[H])ccc(/C=C/CN5CCC(C(F)(F)F)CC5)c4)[H])NS1(=O)=O,"InChI=1S/C25H31F6N3O2S/c26-24(27,28)16-34-15-23(32-37(34,35)36)21-5-6-22(23)14-19-12-17(3-4-18(19)13-21)2-1-9-33-10-7-20(8-11-33)25(29,30)31/h1-4,12,20-22,32H,5-11,13-16H2/b2-1+/t21-,22+,23+/m0/s1",NKHUILHBYOOZDF-NCOIWELASA-N
BMGC_DG03936,BMG_DG100152,,,,
BMGC_DG03937,BMG_DG100153,,N1(C[C@H](O[C@H](C1)C)C)CC(=O)Nc2cc3Cc4cccc(c4Sc3cc2)-c5cc(cc(o5)N6CCOCC6)=O,,SCELLOWTHJGVIC-BGYRXZFFSA-N
BMGC_DG03938,BMG_DG100163,,CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN,,DTWANULJDRVTFI-NRFANRHFSA-N
BMGC_DG03939,BMG_DG100175,CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4,[C@H]1([C@H](CN([C@H]1c2ccc(cc2)OC)CC(N(CCCC)CCCC)=O)c3cc4OCOc4cc3)C(=O)O,"InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1",MOTJMGVDPWRKOC-QPVYNBJUSA-N
BMGC_DG03940,BMG_DG100178,,,,
BMGC_DG03941,BMG_DG100183,CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N,c12nc(COCC)n(c1c3ccccc3nc2N)CC(O)(C)C,"InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)",BXNMTOQRYBFHNZ-UHFFFAOYSA-N
BMGC_DG03942,BMG_DG100199,,Nc1nc(cs1)-c2ccc(OC)cc2,,YPVVEXKDPBRGIK-UHFFFAOYSA-N
BMGC_DG03943,BMG_DG100206,,O=c1n(c2c([nH]1)cccc2)C3CCN(CC3)C(N[C@H]([C@@H](C)c4c5c([nH]c4)cccc5)C(N[C@H](C(OC(C)(C)C)=O)CCCCN)=O)=O,,WFCIXKAZBUIFTR-PKIMSIDOSA-N
BMGC_DG03944,BMG_DG100213,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)O)CC(=O)O,c1(ccc2c(c1)c(c(n2C(c3ccc(cc3)Cl)=O)C)CC(=O)O)O,"InChI=1S/C18H14ClNO4/c1-10-14(9-17(22)23)15-8-13(21)6-7-16(15)20(10)18(24)11-2-4-12(19)5-3-11/h2-8,21H,9H2,1H3,(H,22,23)",KMLNWQPYFBIALN-UHFFFAOYSA-N
BMGC_DG03945,BMG_DG100225,COC(=O)NC1=CC(=C(C=C1)Cl)Cl,c1(cc(c(Cl)cc1)Cl)NC(OC)=O,"InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)",WOZQBERUBLYCEG-UHFFFAOYSA-N
BMGC_DG03946,BMG_DG100245,,,,
BMGC_DG03947,BMG_DG100254,,N=C(N)Nc1ccc(C(=O)O)cc1,,SXTSBZBQQRIYCU-UHFFFAOYSA-N
BMGC_DG03948,BMG_DG100262,CCC1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=NC(=C2)C(=C5C)CC)[N-]4)C)CCC(=O)O)CCC(=O)O)C)C.[Cl-].[Cl-].[Sn+4],c12cc3nc(cc4[n-]c(cc5nc(cc([n-]1)c(c2CCC(=O)O)C)C(=C5C)CC)c(c4C)CC)C(=C3CCC(=O)O)C.[Sn+4].[Cl-].[Cl-],"InChI=1S/C34H38N4O4.2ClH.Sn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;;/h13-16H,7-12H2,1-6H3,(H4,35,36,37,38,39,40,41,42);2*1H;/q;;;+4/p-4",LLDZJTIZVZFNCM-UHEVNVKKSA-J;LLDZJTIZVZFNCM-UHFFFAOYSA-J
BMGC_DG03949,BMG_DG100267,C1=CC(=CC=C1C2=C(C(=CC(=C2)C3=CC=C(C=C3)Cl)C(=O)N)N)S(=O)(=O)N,,"InChI=1S/C19H16ClN3O3S/c20-14-5-1-11(2-6-14)13-9-16(18(21)17(10-13)19(22)24)12-3-7-15(8-4-12)27(23,25)26/h1-10H,21H2,(H2,22,24)(H2,23,25,26)",XJLFMRGTLRIXDT-UHFFFAOYSA-N
BMGC_DG03950,BMG_DG100272,,B(c1ccccc1)(c2ccccc2)OCCN,,BLZVCIGGICSWIG-UHFFFAOYSA-N
BMGC_DG03951,BMG_DG100279,CC(C)C1=CC(=NNC1=O)OC2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C(=N3)C#N)Cl,n1n(c([nH]c(c1C#N)=O)=O)-c2cc(c(c(c2)Cl)Oc3cc(c([nH]n3)=O)C(C)C)Cl,"InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)",FDBYIYFVSAHJLY-UHFFFAOYSA-N
BMGC_DG03952,BMG_DG100281,CNCC1=CN(C(=C1)C2=CC=CC=C2F)S(=O)(=O)C3=CN=CC=C3,C(NC)c1cn(c(c1)-c2c(cccc2)F)S(=O)(=O)c3cnccc3,"InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3",BFDBKMOZYNOTPK-UHFFFAOYSA-N
BMGC_DG03953,BMG_DG100284,,C(c1c(c(cc(c1)NCC)N2S(CCCC2)(=O)=O)F)(=O)N[C@H]([C@@H](CNCc3cc(ccc3)C(F)(F)F)O)Cc4ccccc4,,DGEILIRHSDUTDK-XTEPFMGCSA-N
BMGC_DG03954,BMG_DG100294,CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(CN(C)C)C3(CCCCC3)O,C(CN(C)C)(C1(O)CCCCC1)c2ccc(cc2)OC(c3ccc(cc3)C)=O,"InChI=1S/C24H31NO3/c1-18-7-9-20(10-8-18)23(26)28-21-13-11-19(12-14-21)22(17-25(2)3)24(27)15-5-4-6-16-24/h7-14,22,27H,4-6,15-17H2,1-3H3",QKYBZJLEMOZFFU-UHFFFAOYSA-N
BMGC_DG03955,BMG_DG100296,,O[C@H]1[C@](n2c3c(nc2)c(N)ncn3)(O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(CC(O)=O)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O)[H],,LTYOQGRJFJAKNA-DVVLENMVSA-N
BMGC_DG03956,BMG_DG100297,C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)([O-])[O-])O)O)O,,"InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/p-4/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",ACFIXJIJDZMPPO-NNYOXOHSSA-J
BMGC_DG03957,BMG_DG100304,C[C@H](C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)CN5CCN(CC5)C)C(=O)N,c1(c(cc(s1)-n2cnc3c2cc(cc3)CN4CCN(CC4)C)O[C@H](C)c5c(cccc5)C(F)(F)F)C(=O)N,"InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1",ZHJGWYRLJUCMRT-QGZVFWFLSA-N
BMGC_DG03958,BMG_DG100306,CN1C(=O)C=C(N(C1=O)CC2=C(C=CC(=C2)F)C#N)N3CCC[C@H](C3)N,C(c1c(cc(cc1)F)Cn2c(cc(n(c2=O)C)=O)N3C[C@@H](CCC3)N)#N,"InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1",IWYJYHUNXVAVAA-OAHLLOKOSA-N
BMGC_DG03959,BMG_DG100316,C[C@H]1CN(CCN1)CC2=CC=C(C=C2)CC(=O)N3CCC(CC3)NC4=CC(=CC=C4)F,C(Cc1ccc(cc1)CN2C[C@@H](NCC2)C)(=O)N3CCC(CC3)Nc4cc(ccc4)F,"InChI=1S/C25H33FN4O/c1-19-17-29(14-11-27-19)18-21-7-5-20(6-8-21)15-25(31)30-12-9-23(10-13-30)28-24-4-2-3-22(26)16-24/h2-8,16,19,23,27-28H,9-15,17-18H2,1H3/t19-/m0/s1",RZKDEGZIFSJVNA-IBGZPJMESA-N
BMGC_DG03960,BMG_DG100319,CN1C=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)N3C=CC(=C3)/C=C/C(=O)NC4=CC=CC=C4N,C(/C=C/c1cn(cc1)S(=O)(=O)c2ccc(cc2)-c3cnn(c3)C)(=O)Nc4c(cccc4)N,"InChI=1S/C23H21N5O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24/h2-16H,24H2,1H3,(H,26,29)/b11-6+",PRXXYMVLYKJITB-IZZDOVSWSA-N
BMGC_DG03961,BMG_DG100323,,,,
BMGC_DG03962,BMG_DG100348,,,,
BMGC_DG03963,BMG_DG100349,,,,
BMGC_DG03964,BMG_DG100351,,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c3ccc4nc(N)ncc4c3,,YEIASMOUYNOXGA-UHFFFAOYSA-N
BMGC_DG03965,BMG_DG100352,,N[C@@H]([C@H](O)C(N)=O)C(O)=O,,VQTLPSCRBFYDNX-LWMBPPNESA-N
BMGC_DG03966,BMG_DG100353,,,,
BMGC_DG03967,BMG_DG100354,,,,
BMGC_DG03968,BMG_DG100360,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,n1(c2c(c(ncn2)N)nc1)[C@@H]3O[C@H](COP(OP(OP(O)(O)=O)(O)=O)(O)=O)[C@H](C3)O,"InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1",SUYVUBYJARFZHO-RRKCRQDMSA-N
BMGC_DG03969,BMG_DG100373,C1=NC(=C2C(=N1)N(C=N2)C[C@H]([C@H](C(=O)O)O)O)N,C(n1cnc2c(ncnc21)N)[C@@H](O)[C@@H](O)C(=O)O,"InChI=1S/C9H11N5O4/c10-7-5-8(12-2-11-7)14(3-13-5)1-4(15)6(16)9(17)18/h2-4,6,15-16H,1H2,(H,17,18)(H2,10,11,12)/t4-,6-/m1/s1",LIEMBEWXEZJEEZ-INEUFUBQSA-N
BMGC_DG03970,BMG_DG100375,,O(C)C=1[C@@]23[C@](c4c(CC2)ccc(OC)c4O)(CC(=O)C1OC)CCN3C,,XLWYWPDYNLZUJS-VQTJNVASSA-N
BMGC_DG03971,BMG_DG100393,,CS(=O)(=O)Nc1cc2c(OC3(CCN(CCc4cc5nonc5cc4)CC3)CC2=O)cc1,,UISIMLLBTGLBND-UHFFFAOYSA-N
BMGC_DG03972,BMG_DG100394,,[C@]12(C(NC(N1)=O)=O)c3c(ccc(c3)F)O[C@@H](C2)C(=O)N,,WAAPEIZFCHNLKK-UFBFGSQYSA-N
BMGC_DG03973,BMG_DG100402,CCCNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br,c1c(cnc(n1)OCCOc2c(c(ncn2)NS(NCCC)(=O)=O)-c3ccc(cc3)Br)Br,"InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)",JGCMEBMXRHSZKX-UHFFFAOYSA-N
BMGC_DG03974,BMG_DG100404,CCCCCCCCCCNCC=C.C[N+](C)(C)CCCCCCNCC=C.C=CCN.C1C(O1)CCl.Cl.[Cl-],,"InChI=1S/C13H27N.C12H27N2.C3H5ClO.C3H7N.2ClH/c1-3-5-6-7-8-9-10-11-13-14-12-4-2;1-5-10-13-11-8-6-7-9-12-14(2,3)4;4-1-3-2-5-3;1-2-3-4;;/h4,14H,2-3,5-13H2,1H3;5,13H,1,6-12H2,2-4H3;3H,1-2H2;2H,1,3-4H2;2*1H/q;+1;;;;/p-1",VTAKZNRDSPNOAU-UHFFFAOYSA-M
BMGC_DG03975,BMG_DG100416,CCN(C1CCN(CC1)CC[C@H](C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=CC(=C3)F)F)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C,c1(cc(cc(c1)[C@H](CCN2CCC(CC2)N(C(Cc3ccc(cc3)S(=O)(=O)C)=O)CC)c4ccc(cc4)S(C)(=O)=O)F)F,"InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m1/s1",SCXSQUUTGCWHFU-WJOKGBTCSA-N
BMGC_DG03976,BMG_DG100418,,c1(ccc(-c2ncnc(c2)Oc3cccc4c3nc(s4)NC(=O)C)cc1)C(F)(F)F,,YUTIXVXZQIQWGY-UHFFFAOYSA-N
BMGC_DG03977,BMG_DG100419,CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCO,C(Cc1cc(n[nH]1)Nc2ncnc3cc(ccc23)OCCCN(CCO)CC)(=O)Nc4cc(ccc4)F,"InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)",QYZOGCMHVIGURT-UHFFFAOYSA-N
BMGC_DG03978,BMG_DG100424,,c1(c(c(cc(c1)C#N)[N+](=O)[O-])Cl)[N+](=O)[O-],,SCGDEDHSPCXGEC-UHFFFAOYSA-N
BMGC_DG03979,BMG_DG100434,CC(C)(C(=O)OCCCC(=O)N(C)C)OC1=CC=C(C=C1)Cl,C(C(Oc1ccc(cc1)Cl)(C)C)(=O)OCCCC(=O)N(C)C,"InChI=1S/C16H22ClNO4/c1-16(2,22-13-9-7-12(17)8-10-13)15(20)21-11-5-6-14(19)18(3)4/h7-10H,5-6,11H2,1-4H3",CXQGFLBVUNUQIA-UHFFFAOYSA-N
BMGC_DG03980,BMG_DG100438,,,,
BMGC_DG03981,BMG_DG100440,CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O,,"InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3",FEFAIBOZOKSLJR-UHFFFAOYSA-N
BMGC_DG03982,BMG_DG100450,C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=C(O4)CO,c1ccc2c(c1)c3ccnc(-c4ccc(CO)o4)c3[nH]2,"InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-8,18-19H,9H2",KFUCYPGCMLPUMT-UHFFFAOYSA-N
BMGC_DG03983,BMG_DG100461,Cl[201Tl],,InChI=1S/ClH.Tl/h1H;/q;+1/p-1/i;1-3,GBECUEIQVRDUKB-RYDPDVNUSA-M
BMGC_DG03984,BMG_DG100466,,Cc1ccc(-c2n[nH]c3C(=O)N(c4ccc(C(=O)O)cc4)C(c5cccc(O)c5)c23)cc1,,VGUQVYZXABOXCX-UHFFFAOYSA-N
BMGC_DG03985,BMG_DG100479,COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)OC,c1(cc(c2c(o1)cc(c(c2O)OC)OC)=O)-c3cc(c(cc3)O)O,"InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3",IMEYGBIXGJLUIS-UHFFFAOYSA-N
BMGC_DG03986,BMG_DG100486,,O1C2=C([C@H](C1)C)C(C(c3c4CCCC(c4ccc32)(C)C)=O)=O,,GVKKJJOMQCNPGB-JTQLQIEISA-N
BMGC_DG03987,BMG_DG100492,CCCC[N+](CCCC)(CCCC)CCCC,CCCC[N+](CCCC)(CCCC)CCCC,"InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1",DZLFLBLQUQXARW-UHFFFAOYSA-N
BMGC_DG03988,BMG_DG100497,C[C@@]12CC[C@@]3([C@@]([C@]1(CC4=C(O2)C=C(OC4=O)C5=CC(=C(C(=C5)OC)O)OC)O)(C(=O)C=CC3(C)C)C)O,,"InChI=1S/C28H32O9/c1-24(2)8-7-21(29)26(4)27(24,32)10-9-25(3)28(26,33)14-16-18(37-25)13-17(36-23(16)31)15-11-19(34-5)22(30)20(12-15)35-6/h7-8,11-13,30,32-33H,9-10,14H2,1-6H3/t25-,26+,27-,28-/m1/s1",FTTNXWIFPFEOQT-JUDWXZBOSA-N
BMGC_DG03989,BMG_DG100514,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N,,"InChI=1S/C10H13N5O4.C8H11N3O3S/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8;9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h3,6-8,16H,2,4H2,1H3,(H,12,17,18);1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+,8+;6-,7+/m00/s1",LHCOVOKZWQYODM-CPEOKENHSA-N
BMGC_DG03990,BMG_DG100518,CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3,C([C@@H](CC)Nc1nc2n(cnc2c(n1)NCc3ccccc3)C(C)C)O,"InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1",BTIHMVBBUGXLCJ-OAHLLOKOSA-N
BMGC_DG03991,BMG_DG100521,,C=CC(=O)c1ccc(O)cc1,,NKPPNPJUBLEKAD-UHFFFAOYSA-N
BMGC_DG03992,BMG_DG100525,,c1(nc(c(cn1)Cl)Nc2c(cccc2)S(=O)(=O)C(C)C)Nc3c(cc(cc3)N4CCC(CC4)N5CCN(CC5)C)OC,,QQWUGDVOUVUTOY-UHFFFAOYSA-N
BMGC_DG03993,BMG_DG100532,,o1c(ccc1-c2ccc(cc2)Cl)C(=O)Nc3cc(cc(c3)OC)OC,,VHKBTPQDHDSBSP-UHFFFAOYSA-N
BMGC_DG03994,BMG_DG100537,CC1=CN=C(C=N1)NC(=O)C2=CC(=CC(=C2)O[C@@H](C)COC)OC3=NC=C(N=C3)C(=O)N4CCC4,N(c1cnc(C)cn1)C(=O)c2cc(O[C@@H](C)COC)cc(Oc3cnc(C(N4CCC4)=O)cn3)c2,"InChI=1S/C24H26N6O5/c1-15-10-27-21(12-25-15)29-23(31)17-7-18(34-16(2)14-33-3)9-19(8-17)35-22-13-26-20(11-28-22)24(32)30-5-4-6-30/h7-13,16H,4-6,14H2,1-3H3,(H,27,29,31)/t16-/m0/s1",FJEJHJINOKKDCW-INIZCTEOSA-N
BMGC_DG03995,BMG_DG100538,,,,
BMGC_DG03996,BMG_DG100542,,,,
BMGC_DG03997,BMG_DG100543,,,,
BMGC_DG03998,BMG_DG100544,,,,
BMGC_DG03999,BMG_DG100545,,,,
BMGC_DG04000,BMG_DG100546,,,,
BMGC_DG04001,BMG_DG100547,,,,
BMGC_DG04002,BMG_DG100549,,,,
BMGC_DG04003,BMG_DG100551,,,,
BMGC_DG04004,BMG_DG100558,CC1=CC(=NN1)NC2=CC(=NC(=N2)/C=C/C3=CC=CC=C3)N4CCN(CC4)C,c1(nc(cc(n1)N2CCN(CC2)C)Nc3n[nH]c(c3)C)/C=C/c4ccccc4,"InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)/b9-8+",BLQYVHBZHAISJM-CMDGGOBGSA-N
BMGC_DG04005,BMG_DG100559,C[C@H](C1=NOC(=C1)C2=CC(=CC=C2)Cl)OC3=NN=C(N3C)C4=CC=NC=C4,c1nccc(-c2n(C)c(O[C@@H](c3cc(-c4cccc(Cl)c4)on3)C)nn2)c1,"InChI=1S/C19H16ClN5O2/c1-12(16-11-17(27-24-16)14-4-3-5-15(20)10-14)26-19-23-22-18(25(19)2)13-6-8-21-9-7-13/h3-12H,1-2H3/t12-/m1/s1",SXWHYTICXCLKDG-GFCCVEGCSA-N
BMGC_DG04006,BMG_DG100567,,c1(ccc(nn1)N2CCC(CC2)Oc3c(cccc3)C(F)(F)F)-c4sc(nn4)C,,NVUJDKDVOZVALT-UHFFFAOYSA-N
BMGC_DG04007,BMG_DG100571,CC(C)(C)C1=C(C=CC(=C1)O)O,c1(C(C)(C)C)c(ccc(c1)O)O,"InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3",BGNXCDMCOKJUMV-UHFFFAOYSA-N
BMGC_DG04008,BMG_DG100576,,,,
BMGC_DG04009,BMG_DG100577,C(C(C(=O)[O-])O)C(=O)[O-],,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2",BJEPYKJPYRNKOW-UHFFFAOYSA-L
BMGC_DG04010,BMG_DG100591,,,,
BMGC_DG04011,BMG_DG100598,COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCO,c12c(ncnc1cc(c(c2)OCCOC)OCCO)Nc3cc(C#C)ccc3,"InChI=1S/C21H21N3O4/c1-3-15-5-4-6-16(11-15)24-21-17-12-19(28-10-9-26-2)20(27-8-7-25)13-18(17)22-14-23-21/h1,4-6,11-14,25H,7-10H2,2H3,(H,22,23,24)",MTLKTHNRZJKPRP-UHFFFAOYSA-N
BMGC_DG04012,BMG_DG100605,C1C[C@H](N[C@H]1C2=CC=C(C=C2)OCC3=CC=CC=C3F)C(=O)N,c1c(c(ccc1)COc2ccc(cc2)[C@H]3CC[C@H](N3)C(N)=O)F,"InChI=1S/C18H19FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-8,16-17,21H,9-11H2,(H2,20,22)/t16-,17+/m1/s1",JESCETIFNOFKEU-SJORKVTESA-N
BMGC_DG04013,BMG_DG100607,,,,
BMGC_DG04014,BMG_DG100622,COC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O,[C@H]1(CC(c2c(O1)cc(cc2O)O)=O)c3ccc(cc3)OC,"InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",HMUJXQRRKBLVOO-AWEZNQCLSA-N
BMGC_DG04015,BMG_DG100626,CC(C)(CC1=CC=C(C=C1)F)NC(=O)[C@H](CCC(=O)O)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3,c1(ccc(F)cc1)CC(NC([C@H](CCC(=O)O)NC(c2ccc(-c3ccccc3)cc2)=O)=O)(C)C,"InChI=1S/C28H29FN2O4/c1-28(2,18-19-8-14-23(29)15-9-19)31-27(35)24(16-17-25(32)33)30-26(34)22-12-10-21(11-13-22)20-6-4-3-5-7-20/h3-15,24H,16-18H2,1-2H3,(H,30,34)(H,31,35)(H,32,33)/t24-/m0/s1",JWQMTWCFNZSLNR-DEOSSOPVSA-N
BMGC_DG04016,BMG_DG100630,C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCC[C@@H](C3=CC=C(C=C3)F)O,C1(CCN(CC1)CCC[C@@H](c2ccc(cc2)F)O)(c3ccc(cc3)Cl)O,"InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m0/s1",WNZBBTJFOIOEMP-FQEVSTJZSA-N
BMGC_DG04017,BMG_DG100635,C([C@@H]1[C@H]([C@H](C(O1)NC(=O)CNC=O)O)O)OP(=O)(O)O,,"InChI=1S/C8H15N2O9P/c11-3-9-1-5(12)10-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8?/m1/s1",VDXLUNDMVKSKHO-ZRTZXPPTSA-N
BMGC_DG04018,BMG_DG100642,,N(C(=O)Nc1ccc2c(nc(cn2)Nc3ccc(cc3)C)n1)CC,,RQBRFKKFZPOBFG-UHFFFAOYSA-N
BMGC_DG04019,BMG_DG100648,,C1CC=C(CN1)C(OC)=O,,DYPLDWLIOGXSSE-UHFFFAOYSA-N
BMGC_DG04020,BMG_DG100649,CCCN(CCC)C(=O)C1=CC2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)N4CCCC4)N=C(C1)N,C1CCCN1C(c2ccc(cc2)-c3ccc4c(c3)N=C(CC(=C4)C(N(CCC)CCC)=O)N)=O,"InChI=1S/C28H34N4O2/c1-3-13-31(14-4-2)28(34)24-17-23-12-11-22(18-25(23)30-26(29)19-24)20-7-9-21(10-8-20)27(33)32-15-5-6-16-32/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H2,29,30)",QSPOQCXMGPDIHI-UHFFFAOYSA-N
BMGC_DG04021,BMG_DG100651,,c1(cc(ccn1)C(=O)O)N2CCC(CC2)(C)NCC(=O)N3[C@@H](CC[C@@H]3C#C)C#N,,FIMRNLAKAARHPD-IRXDYDNUSA-N
BMGC_DG04022,BMG_DG100652,,C(=O)(c1cccc2ccccc12)c3cn(c(c3)-c4c(cccc4)F)CCCCC,,WYNZPDDTQGVCLZ-UHFFFAOYSA-N
BMGC_DG04023,BMG_DG100653,,CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c4ccccc4Cl,,SUELCWQJMQQCTF-UHFFFAOYSA-N
BMGC_DG04024,BMG_DG100659,CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC,Oc1c(OC)cc2c3[C@@]([H])(N(CC2)C)Cc4ccc(OC)c(O)c4-c31,"InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1",WHFUDAOCYRYAKQ-LBPRGKRZSA-N
BMGC_DG04025,BMG_DG100665,,COc1cc2c(cc1)-c3c4[C@@](C2)(NCCc4cc5c3OCO5)[H],,RFWCCZDSXIZJMF-CQSZACIVSA-N
BMGC_DG04026,BMG_DG100672,,[C@@H](CC(C=C(C)C)=O)(C)c1ccc(C)cc1,,NAAJVHHFAXWBOK-ZDUSSCGKSA-N
BMGC_DG04027,BMG_DG100701,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,,"InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1",RIVQQZVHIVNQFH-XJZYBRFWSA-N
BMGC_DG04028,BMG_DG100705,CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O,C([C@H](NC([C@H](Cc1c[nH]cn1)NC(=O)[C@@H]2CCC(N2)=O)=O)C(N[C@H](C(N[C@@H](Cc3ccc(cc3)O)C(N[C@@H](C(N[C@H](C(N[C@H](C(=O)N4[C@H](C(NNC(N)=O)=O)CCC4)CCCNC(=N)N)=O)CC(C)C)=O)COC(C)(C)C)=O)=O)CO)=O)c5c6c([nH]c5)cccc6.C(C)(O)=O,"InChI=1S/C59H84N18O14.C2H4O2/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38;1-2(3)4/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90);1H3,(H,3,4)/t38-,39-,40-,41-,42-,43-,44-,45+,46-;/m0./s1",IKDXDQDKCZPQSZ-JHYYTBFNSA-N
BMGC_DG04029,BMG_DG100709,,c1(cc2c(cc1O)[C@@H]([C@H]([C@@H](C2)CO)CO)c3cc(c(cc3)O)OC)OC,,OGFXBIXJCWAUCH-KPHUOKFYSA-N
BMGC_DG04030,BMG_DG100713,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CCC(=O)C4)C,[C@]12(C(CC(=O)CC1)=CC[C@]3([C@]4([C@](C(=O)CC4)(C)CC[C@]23[H])[H])[H])C,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,14-16H,4-11H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1",SQGZFRITSMYKRH-QAGGRKNESA-N
BMGC_DG04031,BMG_DG100716,,c12c(cc(O)cc1)cc[nH]2,,LMIQERWZRIFWNZ-UHFFFAOYSA-N
BMGC_DG04032,BMG_DG100722,C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N,N[C@@H](CCCCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1",ZDGJAHTZVHVLOT-YUMQZZPRSA-N
BMGC_DG04033,BMG_DG100727,C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CCC(=O)O)I,c1(cc(I)c(c(c1)I)Oc2ccc(cc2)O)CCC(O)=O,"InChI=1S/C15H12I2O4/c16-12-7-9(1-6-14(19)20)8-13(17)15(12)21-11-4-2-10(18)3-5-11/h2-5,7-8,18H,1,6H2,(H,19,20)",WONYMNWUJVKVII-UHFFFAOYSA-N
BMGC_DG04034,BMG_DG100730,CCCCCC1=CC(=C(C(=C1C(=O)O)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O,C(c1c(c(c(cc1CCCCC)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)(=O)O,"InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1",WVOLTBSCXRRQFR-DLBZAZTESA-N
BMGC_DG04035,BMG_DG100738,C1C(O1)COCCOCCOCCOCC2CO2,O1C(COCCOCCOCCOCC2OC2)C1,"InChI=1S/C12H22O6/c1(13-3-5-15-7-11-9-17-11)2-14-4-6-16-8-12-10-18-12/h11-12H,1-10H2",UMILHIMHKXVDGH-UHFFFAOYSA-N
BMGC_DG04036,BMG_DG100748,,,,
BMGC_DG04037,BMG_DG100749,,,,
BMGC_DG04038,BMG_DG100750,,,,
BMGC_DG04039,BMG_DG100752,,NC(=O)c1ccccc1Nc2ccnc(Nc3cccc(O)c3)n2,,QHPKKGUGRGRSGA-UHFFFAOYSA-N
BMGC_DG04040,BMG_DG100753,,,,
BMGC_DG04041,BMG_DG100754,,,,
BMGC_DG04042,BMG_DG100755,,,,
BMGC_DG04043,BMG_DG100758,C1CN(CCC1NC2=NN=C(C=C2)C(F)(F)F)CC3=CC(=C(C=C3)F)F,c1(ccc(nn1)C(F)(F)F)NC2CCN(CC2)Cc3cc(c(cc3)F)F,"InChI=1S/C17H17F5N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25)",UVUYWJWYRLJHEN-UHFFFAOYSA-N
BMGC_DG04044,BMG_DG100766,C/C=C/C1=CC2=CC(=O)[C@@]([C@H]([C@@H]2CO1)OC(=O)C3=C(C=C(C=C3C)O)O)(C)O,,"InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,26)19(15(12)10-27-14)28-20(25)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,26H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1",HNVJWWBKFFDQAA-DAYKGMGPSA-N
BMGC_DG04045,BMG_DG100770,C1=CC=C(C=C1)CCN=C=O,c1(ccccc1)CCN=C=O,"InChI=1S/C9H9NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2",HACRKYQRZABURO-UHFFFAOYSA-N
BMGC_DG04046,BMG_DG100771,C(CC=O)C[C@@H](C(=O)O)N,N[C@@H](CCCC=O)C(=O)O,"InChI=1S/C6H11NO3/c7-5(6(9)10)3-1-2-4-8/h4-5H,1-3,7H2,(H,9,10)/t5-/m0/s1",GFXYTQPNNXGICT-YFKPBYRVSA-N
BMGC_DG04047,BMG_DG100786,C1=CC(=CC=C1CN=C=S)O,c1(ccc(cc1)CN=C=S)O,"InChI=1S/C8H7NOS/c10-8-3-1-7(2-4-8)5-9-6-11/h1-4,10H,5H2",ATKWJXUJUNLTFU-UHFFFAOYSA-N
BMGC_DG04048,BMG_DG100835,C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O[C@]16CCC(CN6)C,,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16?,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1",KWVISVAMQJWJSZ-DXZIWIJNSA-N
BMGC_DG04049,BMG_DG100845,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C(C(=O)CC[C@]34C)O,C1(CC[C@@]2([C@]3(CC[C@@]4([C@H](CC[C@]4([C@@]3(CCC2=C1O)[H])[H])O)C)[H])C)=O,"InChI=1S/C19H28O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,16,21-22H,3-10H2,1-2H3/t11-,12-,13-,16-,18+,19-/m0/s1",BQOIJSIMMIDHMO-FBPKJDBXSA-N
BMGC_DG04050,BMG_DG100846,C1CC1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCOCC4,c1cc(C(N2CCN(CC2)C3CC3)=O)ccc1CN4CCOCC4,"InChI=1S/C19H27N3O2/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20/h1-4,18H,5-15H2",BGBVSGSIXIIREO-UHFFFAOYSA-N
BMGC_DG04051,BMG_DG100847,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,O[C@H]1[C@@H](O[C@@H]([C@H]1O)COP(=O)(O)O)n2c(C(O)=O)cc([nH]c2=O)=O,"InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1",KYOBSHFOBAOFBF-XVFCMESISA-N
BMGC_DG04052,BMG_DG100853,,C(O)(=O)c1c(C(O)=O)ccc([C@@H](C(O)=O)N)c1,,IJVMOGKBEVRBPP-ZETCQYMHSA-N
BMGC_DG04053,BMG_DG100856,CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=NC=CN=C5,n1cc(ncc1)-c2ccnc(Nc3c(C)ccc(C(=O)Nc4cc(C(F)(F)F)cc(-n5cnc(C)c5)c4)c3)n2,"InChI=1S/C27H21F3N8O/c1-16-3-4-18(9-23(16)37-26-33-6-5-22(36-26)24-13-31-7-8-32-24)25(39)35-20-10-19(27(28,29)30)11-21(12-20)38-14-17(2)34-15-38/h3-15H,1-2H3,(H,35,39)(H,33,36,37)",DUPWHXBITIZIKZ-UHFFFAOYSA-N
BMGC_DG04054,BMG_DG100879,CC(C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)N3CC(C3)OC4=CC=CC(=C4)O,C(C(CCC(C)(C)N1CC(C1)Oc2cc(ccc2)O)(c3ccccc3)c4ccccc4)(=O)N,"InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32)",WGOJWDWKHJHXSV-UHFFFAOYSA-N
BMGC_DG04055,BMG_DG100880,,c1-2c(nc(c(n1)C#N)C#N)C(c3cc(ccc32)Cl)=O,,BIGPXXAUSQLTQR-UHFFFAOYSA-N
BMGC_DG04056,BMG_DG100885,C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O,Nc1c(C(=O)N[C@H](C(=O)O)CC(=O)O)ncn1[C@H]2[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)O2,"InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9+,12+/m0/s1",NAQGHJTUZRHGAC-ZZZDFHIKSA-N
BMGC_DG04057,BMG_DG100887,CNC1=C(C=C2C(=C1)NC(=O)N(C2=O)C3=CC=C(C=C3)NC(=O)NS(=O)(=O)C4=CC=C(S4)Cl)F,s1c(ccc1S(NC(Nc2ccc(-n3c(=O)[nH]c4cc(c(F)cc4c3=O)NC)cc2)=O)(=O)=O)Cl,"InChI=1S/C20H15ClFN5O5S2/c1-23-15-9-14-12(8-13(15)22)18(28)27(20(30)25-14)11-4-2-10(3-5-11)24-19(29)26-34(31,32)17-7-6-16(21)33-17/h2-9,23H,1H3,(H,25,30)(H2,24,26,29)",LGSDFTPAICUONK-UHFFFAOYSA-N
BMGC_DG04058,BMG_DG100899,,C(/C=C/c1cc2nc(n(c2cc1)CCNCC)CCCC)(=O)NO,,ADLOOPCDYMHBCL-CSKARUKUSA-N
BMGC_DG04059,BMG_DG100917,,,,
BMGC_DG04060,BMG_DG100918,,c1(c(c(ccc1)C#N)-c2[nH]c3c(n2)c4ccccc4c5cc(ccc53)Cl)C#N,,BVFLHOOKHPFDCT-UHFFFAOYSA-N
BMGC_DG04061,BMG_DG100931,CN(C)CCCOC1=CC2=C(NN=C2C=C1)S(=O)(=O)C3=CC=CC4=CC=CC=C43,CN(C)CCCOc1cc2c(S(c3c4ccccc4ccc3)(=O)=O)n[nH]c2cc1,"InChI=1S/C22H23N3O3S/c1-25(2)13-6-14-28-17-11-12-20-19(15-17)22(24-23-20)29(26,27)21-10-5-8-16-7-3-4-9-18(16)21/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,24)",NXQGEDVQXVTCDA-UHFFFAOYSA-N
BMGC_DG04062,BMG_DG100934,,Fc1cnccc1-c2c(-c3cccnc3)nc(NC(C4CC4)=O)cn2,,XUYURJQIMYCWBB-UHFFFAOYSA-N
BMGC_DG04063,BMG_DG100940,,[C@]123[C@]([C@@]([C@H](OC(=O)CSc4[nH]c(N)nn4)C[C@]([C@H]([C@@H]1C)O)(CC)C)(C)[C@@H](CC2)C)(C(=O)CC3)[H],,FMHQJXGMLMSMLC-WBUYAQKGSA-N
BMGC_DG04064,BMG_DG100954,,c1(cc(ccc1)Cl)NC(N)=O,,PPCUBWWPGYHEJE-UHFFFAOYSA-N
BMGC_DG04065,BMG_DG100955,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)O4)C,C[C@]12CCC(=O)C=C1CC[C@@]3([H])[C@]4([H])CCC(=O)O[C@@]4(C)CC[C@@]32[H],"InChI=1S/C19H26O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h11,14-16H,3-10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1",CNIXJDVUMXTEKX-DZBHQSCQSA-N
BMGC_DG04066,BMG_DG100963,CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=C(C5=C4C=C(C=C5)Cl)OC)NC(=O)OC(C)(C)C,O=C(OC(C)(C)C)N[C@@H](C(C)(C)C)C(N1C[C@H](Oc2c3cc(Cl)ccc3c(OC)cn2)C[C@H]1C(N[C@]4(C(NS(C5CC5)(=O)=O)=O)C[C@H]4C=C)=O)=O,"InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1",XRWSZZJLZRKHHD-WVWIJVSJSA-N
BMGC_DG04067,BMG_DG100966,CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C)O,c12[C@]3([C@](CCC(=C3)C)([H])C(Oc1cc(cc2O)CCCCC)(C)C)[H],"InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1",CYQFCXCEBYINGO-IAGOWNOFSA-N
BMGC_DG04068,BMG_DG100969,,C(CCCCCCCCC=C)(=O)NCc1cc(c(cc1)O)OC,,CKWSPVVWIACXHV-UHFFFAOYSA-N
BMGC_DG04069,BMG_DG100976,,N1C/C(/C(/C(/C1)=C/c2ccccn2)=O)=C\c3ccccn3,,GXFKPANENAOEOK-UTLPMFLDSA-N
BMGC_DG04070,BMG_DG100991,,c1cc2c(cc1)ccc(c2)N(CCO)CCO,,UDSAFKFYWGEVMV-UHFFFAOYSA-N
BMGC_DG04071,BMG_DG101008,,,,
BMGC_DG04072,BMG_DG101016,,O(C)c1c-2c3[C@@](Cc4c2cccc4)(NCCc3cc1O)[H],,NBDNEUOVIJYCGZ-CYBMUJFWSA-N
BMGC_DG04073,BMG_DG101017,,O(C)c1cc2-c3cc4c(c[n+]3CCc2cc1OC)c5c(cc4)OCO5,,FPJQGFLUORYYPE-UHFFFAOYSA-N
BMGC_DG04074,BMG_DG101024,CCCC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C,[C@@]12([H])[C@](O1)([H])[C@H]3[N+](C)([C@@H]2C[C@H](C3)OC(=O)[C@@H](c4ccccc4)CO)CCCC,"InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15?,16-,17-,18+,19-,20+,22?/m1/s1",YBCNXCRZPWQOBR-WVHCHWADSA-N;YBCNXCRZPWQOBR-MWGADRMYSA-N
BMGC_DG04075,BMG_DG101031,C[N@@+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6,[C@]123[C@@]4([C@]([H])([N@+](CC1)(CC5CC5)C)Cc6c2c(c(O)cc6)O[C@]3(C(CC4)=O)[H])O,"InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22-/m1/s1",JVLBPIPGETUEET-WIXLDOGYSA-O
BMGC_DG04076,BMG_DG101032,C1=CC=C2C(=C1)C(=C(OC2=O)Cl)Cl,c1(c(c2ccccc2c(o1)=O)Cl)Cl,InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H,SUGXUUGGLDCZKB-UHFFFAOYSA-N
BMGC_DG04077,BMG_DG101037,CCCC1=C(C=CC2=C1C=CC(=C2)C(=O)C3=CC=CC=C3)OCCCN4C=CC5=C4C=CC=C5OC(C)(C)C(=O)O,,"InChI=1S/C35H35NO5/c1-4-10-28-27-17-15-26(33(37)24-11-6-5-7-12-24)23-25(27)16-18-31(28)40-22-9-20-36-21-19-29-30(36)13-8-14-32(29)41-35(2,3)34(38)39/h5-8,11-19,21,23H,4,9-10,20,22H2,1-3H3,(H,38,39)",PTLLEIWUBIYUFA-UHFFFAOYSA-N
BMGC_DG04078,BMG_DG101041,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)(O)O,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)(O)O,"InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7-/m1/s1",OBQMLSFOUZUIOB-SHUUEZRQSA-N
BMGC_DG04079,BMG_DG101050,COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O,,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)12-8-11(19)13-14(20)17(23-2)15(21)18(24-3)16(13)25-12/h4-8,20-21H,1-3H3",KRFBMPVGAYGGJE-UHFFFAOYSA-N
BMGC_DG04080,BMG_DG101059,,C(c1cc(ccc1)C)(=O)NCN2CCC(CC2)c3cccc[n+]3[O-],,PUMMPCXNEPHBNN-UHFFFAOYSA-N
BMGC_DG04081,BMG_DG101061,C1C[C@H](N(C1)C(=O)OCC2=CC3=CC=CC=C3N=C2)C(=O)NC[C@@H]4CC(=NO4)Br,,"InChI=1S/C20H21BrN4O4/c21-18-9-15(29-24-18)11-23-19(26)17-6-3-7-25(17)20(27)28-12-13-8-14-4-1-2-5-16(14)22-10-13/h1-2,4-5,8,10,15,17H,3,6-7,9,11-12H2,(H,23,26)/t15-,17-/m0/s1",FDWIPZHANLQVMF-RDJZCZTQSA-N
BMGC_DG04082,BMG_DG101063,,CCn1c2c(nc1-c3c(non3)N)cnc(Oc4cc(ccc4)NC(=O)c5ccc(cc5)OCCN6CCOCC6)c2,,YOVNFNXUCOWYSG-UHFFFAOYSA-N
BMGC_DG04083,BMG_DG101079,,c1(nc(c(cn1)Cl)Nc2n[nH]c(c2)OC(C)C)N[C@@H](C)c3ccc(cn3)F,,LBVKEEFIPBQIMD-JTQLQIEISA-N
BMGC_DG04084,BMG_DG101085,,c1(cc(c(cc1)OC)OC)S(=O)(=O)N(c2ccccc2)Cc3ccc4c(C=CC(O4)(C)C)c3,,IPZJNJPAVPZHJM-UHFFFAOYSA-N
BMGC_DG04085,BMG_DG101089,,Cc1cn(CCCCCOC(c2ccccc2)(c3ccccc3)c4ccccc4)c(=O)[nH]c1=O,,SLJLMYFAIDHROH-UHFFFAOYSA-N
BMGC_DG04086,BMG_DG101090,,Cc1cn(CCCCCCCOC(c2ccccc2)(c3ccccc3)c4ccccc4)c(=O)[nH]c1=O,,MYFJLJCVSVNEDV-UHFFFAOYSA-N
BMGC_DG04087,BMG_DG101104,,CN1CCN(C=2c3c(Nc4c(N2)cccc4)cccc3)CC1,,VQHITFFJBFOMBG-UHFFFAOYSA-N
BMGC_DG04088,BMG_DG101109,,CN1CCN(C2=Nc3ccccc3Nc4ccc(Cl)cc24)CC1,,APOMSSAGEAOUGO-UHFFFAOYSA-N
BMGC_DG04089,BMG_DG101116,,,,
BMGC_DG04090,BMG_DG101118,,C1(=Nc2c(cccc2)Cc3c1cccc3)N4CCN(CC4)C,,PWRPUAKXMQAFCJ-UHFFFAOYSA-N
BMGC_DG04091,BMG_DG101142,,,,
BMGC_DG04092,BMG_DG101143,,C(=O)(N1C[C@H](CC1)NC)c2ccc(cc2)Nc3nc(c(cn3)F)-c4cnc(n4C(C)C)C,,NTSDIJMNXYJJNG-SFHVURJKSA-N
BMGC_DG04093,BMG_DG101145,,C(C(C)(C)N)(=O)N[C@H](Cc1c[nH]c2ccccc12)c3nnc(n3Cc4ccccc4)CCCc5c[nH]c6ccccc56,,NQKIWLUUQGGHDS-SSEXGKCCSA-N
BMGC_DG04094,BMG_DG101153,,,,
BMGC_DG04095,BMG_DG101158,,Cc1cc(N2CCC[C@@H]2C(=O)NCCc3ccc4c(c3)OCO4)nc(-n5ccnc5)n1,,LBCGUKCXRVUULK-QGZVFWFLSA-N
BMGC_DG04096,BMG_DG101165,C1=CC=C(C(=C1)C(=O)C[C@@H](C(=O)O)N)N,C(c1c(N)cccc1)(C[C@@H](C(=O)O)N)=O,"InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1",YGPSJZOEDVAXAB-QMMMGPOBSA-N
BMGC_DG04097,BMG_DG101168,CN(C)CCCNC(=O)/C(=C/CCCCC(=O)NO)/COC1=CC=CC2=CC=CC=C21,C(/C(=C/CCCCC(=O)NO)/COc1cccc2ccccc12)(=O)NCCCN(C)C,"InChI=1S/C24H33N3O4/c1-27(2)17-9-16-25-24(29)20(11-4-3-5-15-23(28)26-30)18-31-22-14-8-12-19-10-6-7-13-21(19)22/h6-8,10-14,30H,3-5,9,15-18H2,1-2H3,(H,25,29)(H,26,28)/b20-11+",AUGCSOFQTDKPSO-RGVLZGJSSA-N
BMGC_DG04098,BMG_DG101172,CN1CCN(CC1)C2CCN(CC2)C(=O)NC3=NC=CC(=C3)OC4=CC(=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F,C1(CC1)(C(=O)Nc2c(cc(cc2)Oc3cc(ncc3)NC(=O)N4CCC(CC4)N5CCN(CC5)C)F)C(=O)Nc6ccc(cc6)F,"InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)",UQRCJCNVNUFYDX-UHFFFAOYSA-N
BMGC_DG04099,BMG_DG101177,CC(C)CNC(=O)C1CC(C1)(C2=CC(=C(C=C2)CN3CCCC3)F)F,[C@H]1(C[C@@](C1)(c2cc(c(cc2)CN3CCCC3)F)F)C(=O)NCC(C)C,"InChI=1S/C20H28F2N2O/c1-14(2)12-23-19(25)16-10-20(22,11-16)17-6-5-15(18(21)9-17)13-24-7-3-4-8-24/h5-6,9,14,16H,3-4,7-8,10-13H2,1-2H3,(H,23,25)",DJRDLCHHQYHQQK-UHFFFAOYSA-N;DJRDLCHHQYHQQK-UKIBZPOASA-N
BMGC_DG04100,BMG_DG101178,CCNC(=O)C1CC(C1)(C2=CC(=C(C=C2)CN3CCCC3)F)F,CCNC([C@@H]1C[C@](C1)(F)c2cc(c(cc2)CN3CCCC3)F)=O,"InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)",SXMBKHYDZOCBMT-PPUGGXLSSA-N;SXMBKHYDZOCBMT-UHFFFAOYSA-N
BMGC_DG04101,BMG_DG101179,,C(NCCc1cc(O)c(cc1)O)(=O)/C=C/c2ccc(c(c2)OC)O,,ZRLYUFOWFPPSTD-QPJJXVBHSA-N
BMGC_DG04102,BMG_DG101186,CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O,N12C([C@@]([H])(NC([C@H](C[C@H]([C@@H](NCCN)NC(=O)[C@@]3([H])N(CC[C@@H]3O)C(=O)[C@@]([C@@H](CCN)O)([H])NC(=O)[C@]([H])([C@H](O)[C@@H](O)c4ccc(O)cc4)NC([C@@]2(C[C@H](C1)O)[H])=O)O)NC(=O)CCCCCCCC[C@H](C[C@H](CC)C)C)=O)[C@@H](C)O)=O,"InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28-,29+,30+,33+,34-,35-,36+,37-,38+,40-,41-,42-,43-,44-,45-,46-/m0/s1",JYIKNQVWKBUSNH-WVDDFWQHSA-N
BMGC_DG04103,BMG_DG101199,,,,
BMGC_DG04104,BMG_DG101200,,,,
BMGC_DG04105,BMG_DG101201,,,,
BMGC_DG04106,BMG_DG101203,,N([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)c2ccc(S(=O)(=O)N)cc2,,RMCYKIOWPVOBJX-RMPHRYRLSA-N
BMGC_DG04107,BMG_DG101204,,,,
BMGC_DG04108,BMG_DG101209,,,,
BMGC_DG04109,BMG_DG101210,,n1(nc(-c2ccccc2)c(c1CC)-c3ccccc3)-c4c(-c5cc(OCC(=O)O)ccc5)cccc4,,SJRVJRYZAQYCEE-UHFFFAOYSA-N
BMGC_DG04110,BMG_DG101211,,,,
BMGC_DG04111,BMG_DG101212,,,,
BMGC_DG04112,BMG_DG101213,,,,
BMGC_DG04113,BMG_DG101214,,,,
BMGC_DG04114,BMG_DG101215,,,,
BMGC_DG04115,BMG_DG101216,,,,
BMGC_DG04116,BMG_DG101217,,,,
BMGC_DG04117,BMG_DG101218,,,,
BMGC_DG04118,BMG_DG101219,,,,
BMGC_DG04119,BMG_DG101220,,,,
BMGC_DG04120,BMG_DG101221,,,,
BMGC_DG04121,BMG_DG101228,CCN1C2=NC(=NC(=C2C=C(C1=O)C3=CC=NN3)C)N,n1c(c2c(nc1N)n(c(c(c2)-c3ccn[nH]3)=O)CC)C,"InChI=1S/C13H14N6O/c1-3-19-11-8(7(2)16-13(14)17-11)6-9(12(19)20)10-4-5-15-18-10/h4-6H,3H2,1-2H3,(H,15,18)(H2,14,16,17)",RGHYDLZMTYDBDT-UHFFFAOYSA-N
BMGC_DG04122,BMG_DG101236,C(P(=O)(O)O)P(=O)(O)O,P(CP(=O)(O)O)(=O)(O)O,"InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)",MBKDYNNUVRNNRF-UHFFFAOYSA-N
BMGC_DG04123,BMG_DG101237,CCS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C3=C2C4=C(N3)N=CC(=C4)C)C)C(=O)NC5CCN(CC5)C,c1(c2c(c(cc1C(NC3CCN(CC3)C)=O)-c4cc(ccc4)S(CC)(=O)=O)c5c(ncc(c5)C)[nH]2)C,"InChI=1S/C28H32N4O3S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33)",WKDACQVEJIVHMZ-UHFFFAOYSA-N
BMGC_DG04124,BMG_DG101241,C1[C@@H]2[C@H]1[C@@H]3C=C[C@H]2[C@@H]4[C@H]3C(=O)N(C4=O)NC(=O)C5=CC=C(C=C5)C(F)(F)F,C1([C@]2([H])[C@]([C@@H]3C=C[C@H]2[C@]4([H])[C@@]3([H])C4)([H])C(=O)N1NC(c5ccc(cc5)C(F)(F)F)=O)=O,"InChI=1S/C19H15F3N2O3/c20-19(21,22)9-3-1-8(2-4-9)16(25)23-24-17(26)14-10-5-6-11(13-7-12(10)13)15(14)18(24)27/h1-6,10-15H,7H2,(H,23,25)/t10-,11+,12+,13-,14-,15+",CSKDFZIMJXRJGH-VWLPUNTISA-N
BMGC_DG04125,BMG_DG101244,,Nc1ccc(-c2cccc3n[nH]c(N)c23)cc1,,KHQLSBOHZQJRPC-UHFFFAOYSA-N
BMGC_DG04126,BMG_DG101245,,c1ccc(cc1)C(=O)Nc2ccc(cc2)-c3cccc4c3c(N)[nH]n4,,ZBWAOEUPXWDTQS-UHFFFAOYSA-N
BMGC_DG04127,BMG_DG101252,C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,,"InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)",XYFPWWZEPKGCCK-UHFFFAOYSA-N
BMGC_DG04128,BMG_DG101261,CN[C@@H](C[C@H]1CCCOC1)CNC(=O)N2CCC[C@H](C2)[C@H](C3=CC(=CC=C3)Cl)OCCNC(=O)OC,C(NCCO[C@H]([C@]1(CN(CCC1)C(=O)NC[C@H](C[C@@H]2COCCC2)NC)[H])c3cc(ccc3)Cl)(=O)OC,"InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1",NXWASIVXQMMPLM-ZXMXYHOLSA-N
BMGC_DG04129,BMG_DG101264,COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O,c1(cc(c2c(o1)cc(c(c2O)OC)OC)=O)-c3ccc(cc3)OC,"InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-9,20H,1-3H3",QCDYOIZVELGOLZ-UHFFFAOYSA-N
BMGC_DG04130,BMG_DG101265,CCCCC[C@@H](CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O,C1(C[C@@H](O)[C@@H]([C@H]1CCCCCCC(=O)O)CC[C@@H](O)CCCCC)=O,"InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h15-17,19,21,23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,19+/m0/s1",DPOINJQWXDTOSF-DODZYUBVSA-N
BMGC_DG04131,BMG_DG101280,,,,
BMGC_DG04132,BMG_DG101281,,,,
BMGC_DG04133,BMG_DG101282,,,,
BMGC_DG04134,BMG_DG101283,,,,
BMGC_DG04135,BMG_DG101284,CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CO)N)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC2=CN=CN2)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N4CCCC4C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(C(C)O)C(=O)N5CCCC5C(=O)N)C(C)O)CO,,"InChI=1S/C145H240N44O48S2/c1-65(2)45-86(175-139(232)110(70(11)12)183-136(229)99-63-239-238-62-79(148)117(210)178-96(59-191)134(227)174-92(52-104(151)202)131(224)172-90(49-69(9)10)129(222)180-98(61-193)135(228)187-114(74(16)197)142(235)181-99)118(211)158-55-106(204)162-80(25-18-20-40-146)120(213)169-89(48-68(7)8)128(221)179-97(60-192)133(226)167-83(34-37-102(149)200)122(215)165-85(36-39-109(207)208)123(216)171-88(47-67(5)6)127(220)173-91(51-77-54-156-64-161-77)130(223)164-81(26-19-21-41-147)121(214)170-87(46-66(3)4)126(219)166-84(35-38-103(150)201)125(218)186-113(73(15)196)141(234)177-94(50-76-30-32-78(199)33-31-76)143(236)189-44-24-29-101(189)137(230)168-82(27-22-42-157-145(154)155)124(217)185-112(72(14)195)140(233)176-93(53-105(152)203)132(225)184-111(71(13)194)138(231)160-56-107(205)163-95(58-190)119(212)159-57-108(206)182-115(75(17)198)144(237)188-43-23-28-100(188)116(153)209/h30-33,54,64-75,79-101,110-115,190-199H,18-29,34-53,55-63,146-148H2,1-17H3,(H2,149,200)(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,209)(H,156,161)(H,158,211)(H,159,212)(H,160,231)(H,162,204)(H,163,205)(H,164,223)(H,165,215)(H,166,219)(H,167,226)(H,168,230)(H,169,213)(H,170,214)(H,171,216)(H,172,224)(H,173,220)(H,174,227)(H,175,232)(H,176,233)(H,177,234)(H,178,210)(H,179,221)(H,180,222)(H,181,235)(H,182,206)(H,183,229)(H,184,225)(H,185,217)(H,186,218)(H,187,228)(H,207,208)(H4,154,155,157)",BBBFJLBPOGFECG-UHFFFAOYSA-N
BMGC_DG04136,BMG_DG101290,CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)NC3C(OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C,,"InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35?,36-,37?,43+,44+,45+,46+,47+,48+,49+,50-,60+,61?/m1/s1",DOAKLVKFURWEDJ-OFNKPWESSA-N
BMGC_DG04137,BMG_DG101296,CC(C)[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)C(CC5=CN=CN5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CO)NC(=O)C,,"InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58?,59-,60-,61-,64-/m0/s1",WHNFPRLDDSXQCL-PDEGJNOBSA-N
BMGC_DG04138,BMG_DG101297,CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC2=NC=CN2)N,,"InChI=1S/C130H219N43O42/c1-59(2)43-78(118(206)172-99(65(13)14)126(214)215)151-94(182)53-148-104(192)75(31-34-91(132)180)156-113(201)81(46-62(7)8)163-115(203)82(47-63(9)10)161-107(195)72(28-22-38-145-128(136)137)153-110(198)76(32-35-92(133)181)157-114(202)80(45-61(5)6)159-106(194)71(27-21-37-144-127(134)135)152-102(190)66(15)150-120(208)87(55-174)168-117(205)86(52-98(188)189)165-109(197)73(29-23-39-146-129(138)139)154-112(200)79(44-60(3)4)160-108(196)74(30-24-40-147-130(140)141)155-121(209)89(57-176)169-116(204)83(48-64(11)12)162-111(199)77(33-36-96(184)185)158-122(210)90(58-177)170-125(213)101(68(17)179)173-119(207)84(49-69-25-19-18-20-26-69)166-124(212)100(67(16)178)171-95(183)54-149-105(193)85(51-97(186)187)164-123(211)88(56-175)167-103(191)70(131)50-93-142-41-42-143-93/h18-20,25-26,41-42,59-68,70-90,99-101,174-179H,21-24,27-40,43-58,131H2,1-17H3,(H2,132,180)(H2,133,181)(H,142,143)(H,148,192)(H,149,193)(H,150,208)(H,151,182)(H,152,190)(H,153,198)(H,154,200)(H,155,209)(H,156,201)(H,157,202)(H,158,210)(H,159,194)(H,160,196)(H,161,195)(H,162,199)(H,163,203)(H,164,211)(H,165,197)(H,166,212)(H,167,191)(H,168,205)(H,169,204)(H,170,213)(H,171,183)(H,172,206)(H,173,207)(H,184,185)(H,186,187)(H,188,189)(H,214,215)(H4,134,135,144)(H4,136,137,145)(H4,138,139,146)(H4,140,141,147)",KKNIUBFRGPFELP-UHFFFAOYSA-N
BMGC_DG04139,BMG_DG101300,CCC(C)C(C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)NC(C1=CC=C(C=C1)OS(=O)(=O)O)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC4=CC=CC=C4)C(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC5=CNC=N5)NC(=O)C(CO)NC(=O)C6CCCN6C(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CO)NC(=O)C7CCCN7C(=O)C(C)NC(=O)C(CCCCN)N,,"InChI=1S/C166H261N51O52S4/c1-15-84(9)130(159(261)211-116(78-220)154(256)206-110(68-125(227)228)150(252)191-97(38-27-54-182-165(176)177)139(241)205-112(70-127(231)232)152(254)215-132(88-42-44-91(45-43-88)269-273(266,267)268)161(263)197-100(48-58-270-12)135(237)185-75-124(226)190-106(64-89-72-184-94-35-21-20-33-92(89)94)146(248)195-101(49-59-271-13)141(243)204-111(69-126(229)230)151(253)198-103(133(173)235)63-87-31-18-17-19-32-87)213-143(245)98(39-28-55-183-166(178)179)192-147(249)107(65-90-73-180-80-187-90)201-153(255)115(77-219)210-157(259)119-41-30-57-217(119)163(265)113(71-128(233)234)207-145(247)105(62-82(5)6)200-149(251)109(67-122(172)224)203-140(242)99(46-47-120(170)222)193-144(246)104(61-81(3)4)199-148(250)108(66-121(171)223)202-138(240)96(36-23-25-52-168)196-158(260)129(83(7)8)212-160(262)131(85(10)16-2)214-155(257)117(79-221)208-142(244)102(50-60-272-14)194-137(239)95(37-26-53-181-164(174)175)189-123(225)74-186-136(238)114(76-218)209-156(258)118-40-29-56-216(118)162(264)86(11)188-134(236)93(169)34-22-24-51-167/h17-21,31-33,35,42-45,72-73,80-86,93,95-119,129-132,184,218-221H,15-16,22-30,34,36-41,46-71,74-79,167-169H2,1-14H3,(H2,170,222)(H2,171,223)(H2,172,224)(H2,173,235)(H,180,187)(H,185,237)(H,186,238)(H,188,236)(H,189,225)(H,190,226)(H,191,252)(H,192,249)(H,193,246)(H,194,239)(H,195,248)(H,196,260)(H,197,263)(H,198,253)(H,199,250)(H,200,251)(H,201,255)(H,202,240)(H,203,242)(H,204,243)(H,205,241)(H,206,256)(H,207,247)(H,208,244)(H,209,258)(H,210,259)(H,211,261)(H,212,262)(H,213,245)(H,214,257)(H,215,254)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H4,174,175,181)(H4,176,177,182)(H4,178,179,183)(H,266,267,268)",QFLBZJPOIZFFJQ-UHFFFAOYSA-N
BMGC_DG04140,BMG_DG101302,C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCC(=O)N5)O,C1CC(N[C@@H]1C(N[C@H](C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(N[C@]([C@@H](C)O)([H])C(=O)NCC(=O)N[C@H](C(N[C@@H](CCSC)C(N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N)=O)=O)Cc3c[nH]c4ccccc34)=O)Cc5ccc(cc5)OS(=O)(=O)O)CCC(N)=O)=O)=O,"InChI=1S/C58H73N13O21S2/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70-42(25-47(76)77)55(85)67-39(50(60)80)22-30-8-4-3-5-9-30/h3-15,27,29,36-43,49,61,72H,16-26,28H2,1-2H3,(H2,59,73)(H2,60,80)(H,62,88)(H,63,74)(H,64,75)(H,65,81)(H,66,84)(H,67,85)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,76,77)(H,78,79)(H,89,90,91)/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+/m1/s1",YRALAIOMGQZKOW-HYAOXDFASA-N
BMGC_DG04141,BMG_DG101304,CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O)N)CCCCN)NC(=O)CNC(=O)C(C)N)C(=O)O)CO)C(C)O)CC6=CC=CC=C6)O,,"InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)",NHXLMOGPVYXJNR-UHFFFAOYSA-N
BMGC_DG04142,BMG_DG101305,CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NC(CC1=CNC=N1)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC2=CNC=N2)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CC5=CNC=N5)C(=O)NC(CC(=O)N)C(=O)NC(CC6=CC=CC=C6)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CO)N,,"InChI=1S/C181H291N55O51S2/c1-21-96(18)146(236-160(267)114(48-53-141(250)251)212-174(281)132(84-239)232-177(284)143(93(12)13)233-147(254)103(185)82-237)178(285)216-111(45-50-134(187)241)155(262)219-119(65-90(6)7)163(270)213-116(55-62-289-20)158(265)224-124(71-100-79-196-86-203-100)167(274)226-126(73-135(188)242)169(276)217-117(63-88(2)3)148(255)201-81-138(245)205-105(39-27-30-56-182)149(256)223-123(70-99-78-195-85-202-99)166(273)221-121(67-92(10)11)164(271)225-128(75-137(190)244)171(278)231-131(83-238)173(280)214-115(54-61-288-19)157(264)210-112(46-51-139(246)247)153(260)208-109(43-34-60-199-181(193)194)159(266)234-144(94(14)15)175(282)215-113(47-52-140(248)249)156(263)222-122(69-98-77-200-104-38-26-25-37-102(98)104)165(272)220-120(66-91(8)9)161(268)209-108(42-33-59-198-180(191)192)151(258)206-106(40-28-31-57-183)150(257)207-107(41-29-32-58-184)152(259)218-118(64-89(4)5)162(269)211-110(44-49-133(186)240)154(261)228-129(76-142(252)253)172(279)235-145(95(16)17)176(283)229-125(72-101-80-197-87-204-101)168(275)227-127(74-136(189)243)170(277)230-130(179(286)287)68-97-35-23-22-24-36-97/h22-26,35-38,77-80,85-96,103,105-132,143-146,200,237-239H,21,27-34,39-76,81-84,182-185H2,1-20H3,(H2,186,240)(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H,195,202)(H,196,203)(H,197,204)(H,201,255)(H,205,245)(H,206,258)(H,207,257)(H,208,260)(H,209,268)(H,210,264)(H,211,269)(H,212,281)(H,213,270)(H,214,280)(H,215,282)(H,216,285)(H,217,276)(H,218,259)(H,219,262)(H,220,272)(H,221,273)(H,222,263)(H,223,256)(H,224,265)(H,225,271)(H,226,274)(H,227,275)(H,228,261)(H,229,283)(H,230,277)(H,231,278)(H,232,284)(H,233,254)(H,234,266)(H,235,279)(H,236,267)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,286,287)(H4,191,192,198)(H4,193,194,199)",OGBMKVWORPGQRR-UHFFFAOYSA-N
BMGC_DG04143,BMG_DG101306,CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCSC)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C3CCCN3C(=O)C(C(C)C)NC(=O)C(CC4=CC=CC=C4)N,,"InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)",LVRVABPNVHYXRT-UHFFFAOYSA-N
BMGC_DG04144,BMG_DG101308,CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C,,"InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)",DOAKLVKFURWEDJ-UHFFFAOYSA-N
BMGC_DG04145,BMG_DG101309,CC1C(=O)NC(C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CCCCN)CCCCN)N)C(=O)NC(C(=O)NCC(=O)NC(C(=O)N3)CO)C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CCCNC(=N)N)CC(C)C)CCSC)CC4=CC=C(C=C4)O)CC(=O)O)C(=O)N)CCCCN)CO)CCCNC(=N)N)CCCCN,,"InChI=1S/C102H172N36O32S7/c1-50(2)34-63-91(161)127-62(26-33-171-5)90(160)129-64(35-53-22-24-54(143)25-23-53)92(162)130-65(36-78(148)149)93(163)135-72-48-175-173-45-69(80(108)150)133-86(156)58(18-8-12-29-105)121-76(146)39-117-85(155)66(41-139)131-88(158)61(21-15-32-114-102(111)112)126-96(166)70-46-176-177-47-71(97(167)132-68(43-141)95(165)125-60(87(157)128-63)20-14-31-113-101(109)110)134-89(159)59(19-9-13-30-106)123-81(151)51(3)119-74(144)37-115-83(153)56(16-6-10-27-103)120-75(145)38-116-84(154)57(17-7-11-28-104)124-82(152)55(107)44-172-174-49-73(137-98(72)168)99(169)138-79(52(4)142)100(170)118-40-77(147)122-67(42-140)94(164)136-70/h22-25,50-52,55-73,79,139-143H,6-21,26-49,103-107H2,1-5H3,(H2,108,150)(H,115,153)(H,116,154)(H,117,155)(H,118,170)(H,119,144)(H,120,145)(H,121,146)(H,122,147)(H,123,151)(H,124,152)(H,125,165)(H,126,166)(H,127,161)(H,128,157)(H,129,160)(H,130,162)(H,131,158)(H,132,167)(H,133,156)(H,134,159)(H,135,163)(H,136,164)(H,137,168)(H,138,169)(H,148,149)(H4,109,110,113)(H4,111,112,114)",BPKIMPVREBSLAJ-UHFFFAOYSA-N
BMGC_DG04146,BMG_DG101312,CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)C(C)C)CC(=O)N)CO)CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC(C)C)CC(=O)N)CCC(=O)N)CO)CCC(=O)O)[C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N)C(=O)N1)CCCCN)CC(=O)N)CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCCN)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC7=CN=CN7)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N9CCC[C@H]9C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)CCC(=O)N)CC(=O)N)CCCCN)CCC(=O)O)CC(=O)O)CO)CC(C)C,,"InChI=1S/C287H440N80O110S6/c1-25-133(19)226-281(470)345-161(87-125(3)4)235(424)306-111-208(395)320-180(116-370)266(455)344-175(101-219(415)416)237(426)307-105-202(389)316-151(62-75-212(401)402)242(431)321-145(41-30-33-81-288)240(429)339-170(96-197(297)384)258(447)326-152(57-70-193(293)380)249(438)351-185(121-481-478-118-182-239(428)310-107-201(388)313-147(55-68-191(291)378)232(421)303-108-205(392)317-169(95-196(296)383)257(446)322-146(42-31-34-82-289)241(430)350-186(271(460)360-226)122-482-479-119-183(268(457)323-149(61-74-211(399)400)234(423)304-110-207(394)319-179(115-369)265(454)342-173(99-200(300)387)264(453)357-223(130(13)14)279(468)355-182)352-253(442)164(90-128(9)10)335-269(458)184-120-480-483-123-187(354-262(451)177(103-221(419)420)347-283(472)230(137(23)374)362-263(452)167(93-141-49-53-144(377)54-50-141)346-278(467)224(131(15)16)359-276(465)222(301)129(11)12)272(461)363-229(136(22)373)282(471)330-157(66-79-216(409)410)248(437)348-178(114-368)238(427)309-106-203(390)315-150(56-69-192(292)379)243(432)340-171(97-198(298)385)259(448)334-163(89-127(7)8)252(441)353-184)270(459)358-225(132(17)18)280(469)364-228(135(21)372)277(466)311-112-204(391)314-148(60-73-210(397)398)233(422)305-113-209(396)356-231(138(24)375)286(475)367-86-38-46-190(367)275(464)331-159(43-32-35-83-290)284(473)365-84-36-44-188(365)273(462)328-153(58-71-194(294)381)247(436)349-181(117-371)267(456)338-168(94-142-104-302-124-312-142)256(445)341-172(98-199(299)386)260(449)343-174(100-218(413)414)236(425)308-109-206(393)318-176(102-220(417)418)261(450)337-165(91-139-39-28-27-29-40-139)254(443)327-154(63-76-213(403)404)244(433)325-158(67-80-217(411)412)250(439)361-227(134(20)26-2)285(474)366-85-37-45-189(366)274(463)329-156(65-78-215(407)408)245(434)324-155(64-77-214(405)406)246(435)336-166(92-140-47-51-143(376)52-48-140)255(444)333-162(88-126(5)6)251(440)332-160(287(476)477)59-72-195(295)382/h27-29,39-40,47-54,104,124-138,145-190,222-231,368-377H,25-26,30-38,41-46,55-103,105-123,288-290,301H2,1-24H3,(H2,291,378)(H2,292,379)(H2,293,380)(H2,294,381)(H2,295,382)(H2,296,383)(H2,297,384)(H2,298,385)(H2,299,386)(H2,300,387)(H,302,312)(H,303,421)(H,304,423)(H,305,422)(H,306,424)(H,307,426)(H,308,425)(H,309,427)(H,310,428)(H,311,466)(H,313,388)(H,314,391)(H,315,390)(H,316,389)(H,317,392)(H,318,393)(H,319,394)(H,320,395)(H,321,431)(H,322,446)(H,323,457)(H,324,434)(H,325,433)(H,326,447)(H,327,443)(H,328,462)(H,329,463)(H,330,471)(H,331,464)(H,332,440)(H,333,444)(H,334,448)(H,335,458)(H,336,435)(H,337,450)(H,338,456)(H,339,429)(H,340,432)(H,341,445)(H,342,454)(H,343,449)(H,344,455)(H,345,470)(H,346,467)(H,347,472)(H,348,437)(H,349,436)(H,350,430)(H,351,438)(H,352,442)(H,353,441)(H,354,451)(H,355,468)(H,356,396)(H,357,453)(H,358,459)(H,359,465)(H,360,460)(H,361,439)(H,362,452)(H,363,461)(H,364,469)(H,397,398)(H,399,400)(H,401,402)(H,403,404)(H,405,406)(H,407,408)(H,409,410)(H,411,412)(H,413,414)(H,415,416)(H,417,418)(H,419,420)(H,476,477)/t133-,134-,135+,136+,137+,138+,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,222-,223-,224-,225-,226-,227-,228-,229-,230-,231-/m0/s1",XYWBJDRHGNULKG-OUMQNGNKSA-N
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BMGC_DG04158,BMG_DG101368,,C(c1c2c([nH]c1)cccc2)[C@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(CNC([C@H](C)N)=O)=O)CSSC[C@H](NC([C@@H](NC([C@@](NC([C@@H](NC([C@@](NC([C@@H](NC3=O)CCCCN)=O)([C@@H](C)O)[H])=O)Cc6ccccc6)=O)([C@@H](C)O)[H])=O)CO)=O)C(O)=O,,NHXLMOGPVYXJNR-ZPHDWPCDSA-N
BMGC_DG04159,BMG_DG101389,C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C,,"InChI=1S/C72H95ClN14O14/c1-41(2)32-54(64(93)80-53(17-10-11-30-77-42(3)4)72(101)87-31-13-18-60(87)69(98)78-43(5)63(75)92)81-68(97)58(38-62(74)91)84-70(99)61(37-46-22-27-52(90)28-23-46)86(7)71(100)59(40-88)85-67(96)57(36-48-14-12-29-76-39-48)83-66(95)56(34-45-20-25-51(73)26-21-45)82-65(94)55(79-44(6)89)35-47-19-24-49-15-8-9-16-50(49)33-47/h8-9,12,14-16,19-29,33,39,41-43,53-61,77,88,90H,10-11,13,17-18,30-32,34-38,40H2,1-7H3,(H2,74,91)(H2,75,92)(H,78,98)(H,79,89)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,99)(H,85,96)/t43-,53+,54+,55-,56-,57-,58-,59+,60+,61+/m1/s1",AIWRTTMUVOZGPW-HSPKUQOVSA-N
BMGC_DG04160,BMG_DG101395,C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OC[C@@H]3[C@H]([C@@H]([C@H](C(O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O,,"InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76?/m1/s1",LRBQNJMCXXYXIU-YIILYMKVSA-N
BMGC_DG04161,BMG_DG101396,C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)OC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC5C=NC=N5)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)N)O,,"InChI=1S/C135H199N39O38S/c1-66(2)50-87(155-104(185)62-152-112(190)80(136)29-20-45-147-134(142)143)118(196)160-89(53-75-34-36-78(179)37-35-75)121(199)166-94(54-74-26-16-13-17-27-74)131(209)173-47-22-32-97(173)126(204)154-69(7)111(189)151-61-103(184)150-63-106(188)212-133(211)107(68(5)6)169-116(194)83(31-21-46-148-135(144)145)159-127(205)98-33-23-48-174(98)132(210)95(58-105(186)187)167-115(193)85(39-42-100(139)181)157-119(197)88(51-67(3)4)164-128(206)108(70(8)176)170-117(195)86(40-43-101(140)182)158-123(201)92(56-77-60-146-65-153-77)162-120(198)90(52-73-24-14-12-15-25-73)165-129(207)109(71(9)177)172-130(208)110(72(10)178)171-125(203)96(64-175)168-124(202)93(57-102(141)183)163-122(200)91(55-76-59-149-82-30-19-18-28-79(76)82)161-114(192)84(38-41-99(138)180)156-113(191)81(137)44-49-213-11/h12-19,24-28,30,34-37,59-60,65-72,77,80-81,83-98,107-110,149,175-179H,20-23,29,31-33,38-58,61-64,136-137H2,1-11H3,(H2,138,180)(H2,139,181)(H2,140,182)(H2,141,183)(H,150,184)(H,151,189)(H,152,190)(H,154,204)(H,155,185)(H,156,191)(H,157,197)(H,158,201)(H,159,205)(H,160,196)(H,161,192)(H,162,198)(H,163,200)(H,164,206)(H,165,207)(H,166,199)(H,167,193)(H,168,202)(H,169,194)(H,170,195)(H,171,203)(H,172,208)(H,186,187)(H4,142,143,147)(H4,144,145,148)/t69-,70+,71+,72+,77?,80-,81-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,107-,108-,109-,110-/m0/s1",SPSXSWRZQFPVTJ-ZQQKUFEYSA-N
BMGC_DG04162,BMG_DG101404,,,,
BMGC_DG04163,BMG_DG101408,CCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@H](C7=C(C(=CC(=C7)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]1C2=CC(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N[C@H](CC2=CC(=C(O3)C=C2)Cl)C(=O)N1)N)O)O)O)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)Cl)CO)O)O,,"InChI=1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66-,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1",BJNLLBUOHPVGFT-QRZIFLFXSA-N
BMGC_DG04164,BMG_DG101433,C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC8=CNC9=CC=CC=C98)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CO)N,,"InChI=1S/C207H308N56O58S/c1-108(2)89-140(186(302)240-135(69-74-163(279)280)182(298)254-149(204(320)321)94-117-43-20-15-21-44-117)250-193(309)152-54-35-86-262(152)202(318)147(92-116-41-18-14-19-42-116)252-171(287)114(11)230-175(291)132(66-71-160(273)274)234-170(286)113(10)231-191(307)150(105-265)255-183(299)136(70-75-164(281)282)241-190(306)146(98-165(283)284)249-180(296)133(67-72-161(275)276)235-169(285)112(9)229-157(270)101-225-174(290)145(97-156(213)269)251-194(310)153-55-36-87-263(153)203(319)148(93-119-60-64-123(268)65-61-119)253-199(315)167(110(5)6)257-185(301)129(49-26-30-79-210)243-198(314)168(111(7)8)259-196(312)155-57-38-85-261(155)201(317)139(53-34-83-223-207(218)219)244-178(294)130(51-32-81-221-205(214)215)237-177(293)128(48-25-29-78-209)236-176(292)127(47-24-28-77-208)232-158(271)103-227-197(313)166(109(3)4)258-195(311)154-56-37-84-260(154)200(316)138(50-27-31-80-211)233-159(272)102-226-173(289)143(95-120-99-224-126-46-23-22-45-124(120)126)247-179(295)131(52-33-82-222-206(216)217)238-187(303)142(90-115-39-16-13-17-40-115)246-189(305)144(96-121-100-220-107-228-121)248-181(297)134(68-73-162(277)278)239-184(300)137(76-88-322-12)242-192(308)151(106-266)256-188(304)141(245-172(288)125(212)104-264)91-118-58-62-122(267)63-59-118/h13-23,39-46,58-65,99-100,107-114,125,127-155,166-168,224,264-268H,24-38,47-57,66-98,101-106,208-212H2,1-12H3,(H2,213,269)(H,220,228)(H,225,290)(H,226,289)(H,227,313)(H,229,270)(H,230,291)(H,231,307)(H,232,271)(H,233,272)(H,234,286)(H,235,285)(H,236,292)(H,237,293)(H,238,303)(H,239,300)(H,240,302)(H,241,306)(H,242,308)(H,243,314)(H,244,294)(H,245,288)(H,246,305)(H,247,295)(H,248,297)(H,249,296)(H,250,309)(H,251,310)(H,252,287)(H,253,315)(H,254,298)(H,255,299)(H,256,304)(H,257,301)(H,258,311)(H,259,312)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,320,321)(H4,214,215,221)(H4,216,217,222)(H4,218,219,223)/t112-,113-,114-,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,166-,167-,168-/m0/s1",IDLFZVILOHSSID-OVLDLUHVSA-N
BMGC_DG04165,BMG_DG101434,C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)NCCO)NC(=O)CNC(=O)[C@H](C(C)C)NC=O,c1(C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c3c(cccc3)[nH]c2)NC(=O)[C@@H](CC(C)C)NC([C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc4c5c(cccc5)[nH]c4)NC(=O)[C@@H](C(C)C)NC([C@@H](NC([C@@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(CNC([C@H](C(C)C)NC=O)=O)=O)=O)C(C)C)=O)Cc6c7c([nH]c6)cccc7)=O)C(=O)NCCO)c8ccccc8[nH]c1,"InChI=1S/C99H140N20O17/c1-51(2)37-73(109-86(123)59(17)107-81(122)49-105-96(133)82(55(9)10)106-50-121)89(126)108-60(18)87(124)117-84(57(13)14)98(135)119-85(58(15)16)99(136)118-83(56(11)12)97(134)116-80(44-64-48-104-72-34-26-22-30-68(64)72)95(132)112-76(40-54(7)8)92(129)115-79(43-63-47-103-71-33-25-21-29-67(63)71)94(131)111-75(39-53(5)6)91(128)114-78(42-62-46-102-70-32-24-20-28-66(62)70)93(130)110-74(38-52(3)4)90(127)113-77(88(125)100-35-36-120)41-61-45-101-69-31-23-19-27-65(61)69/h19-34,45-48,50-60,73-80,82-85,101-104,120H,35-44,49H2,1-18H3,(H,100,125)(H,105,133)(H,106,121)(H,107,122)(H,108,126)(H,109,123)(H,110,130)(H,111,131)(H,112,132)(H,113,127)(H,114,128)(H,115,129)(H,116,134)(H,117,124)(H,118,136)(H,119,135)/t59-,60-,73+,74+,75+,76+,77-,78-,79-,80-,82-,83+,84+,85-/m0/s1",ZWCXYZRRTRDGQE-LUPIJMBPSA-N
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BMGC_DG04173,BMG_DG101465,CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC7=CC=CC=C7)N,,"InChI=1S/C141H226N46O29S3/c1-11-77(6)111(133(212)186-112(80(9)189)134(213)183-106(74-218)130(209)184-110(76(4)5)132(211)176-97(49-32-61-161-141(155)156)120(199)170-93(45-28-57-157-137(147)148)116(195)166-78(7)113(192)180-103(136(215)216)66-82-36-16-13-17-37-82)185-128(207)104(72-188)181-131(210)107-50-33-62-187(107)135(214)79(8)165-109(191)71-164-115(194)100(64-75(2)3)177-121(200)92(44-24-27-56-144)168-117(196)91(43-23-26-55-143)169-125(204)99(53-63-219-10)175-119(198)94(46-29-58-158-138(149)150)172-126(205)101(67-83-69-162-88-40-20-18-38-85(83)88)179-124(203)98(51-52-108(146)190)174-127(206)102(68-84-70-163-89-41-21-19-39-86(84)89)178-122(201)96(48-31-60-160-140(153)154)171-118(197)95(47-30-59-159-139(151)152)173-129(208)105(73-217)182-123(202)90(42-22-25-54-142)167-114(193)87(145)65-81-34-14-12-15-35-81/h12-21,34-41,69-70,75-80,87,90-107,110-112,162-163,188-189,217-218H,11,22-33,42-68,71-74,142-145H2,1-10H3,(H2,146,190)(H,164,194)(H,165,191)(H,166,195)(H,167,193)(H,168,196)(H,169,204)(H,170,199)(H,171,197)(H,172,205)(H,173,208)(H,174,206)(H,175,198)(H,176,211)(H,177,200)(H,178,201)(H,179,203)(H,180,192)(H,181,210)(H,182,202)(H,183,213)(H,184,209)(H,185,207)(H,186,212)(H,215,216)(H4,147,148,157)(H4,149,150,158)(H4,151,152,159)(H4,153,154,160)(H4,155,156,161)/t77-,78-,79-,80+,87-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,110-,111-,112-/m0/s1",CSSYQJWUGATIHM-IKGCZBKSSA-N
BMGC_DG04174,BMG_DG101466,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N)NC(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)N,,"InChI=1S/C171H269N51O53S2/c1-21-81(12)130(163(268)207-110(56-78(6)7)169(274)222-53-33-42-118(222)170(275)221-52-32-41-117(221)160(265)219-135(89(20)230)167(272)206-109(66-125(180)238)151(256)212-128(79(8)9)161(266)186-68-126(239)192-111(70-223)154(259)203-107(64-123(178)236)152(257)218-134(88(19)229)166(271)195-98(136(181)241)57-92-43-45-94(231)46-44-92)214-159(264)116-40-31-51-220(116)127(240)69-187-141(246)101(58-90-34-24-22-25-35-90)199-148(253)105(62-121(176)234)201-149(254)106(63-122(177)235)202-155(260)112(71-224)209-156(261)113(72-225)208-146(251)103(60-93-67-184-75-188-93)205-162(267)129(80(10)11)213-150(255)100(55-77(4)5)198-145(250)102(59-91-36-26-23-27-37-91)200-147(252)104(61-120(175)233)196-137(242)82(13)189-144(249)99(54-76(2)3)197-142(247)96(39-30-50-185-171(182)183)193-143(248)97(47-48-119(174)232)194-165(270)132(86(17)227)215-138(243)83(14)190-157(262)114(73-276)211-168(273)133(87(18)228)216-139(244)84(15)191-164(269)131(85(16)226)217-153(258)108(65-124(179)237)204-158(263)115(74-277)210-140(245)95(173)38-28-29-49-172/h22-27,34-37,43-46,67,75-89,95-118,128-135,223-231,276-277H,21,28-33,38-42,47-66,68-74,172-173H2,1-20H3,(H2,174,232)(H2,175,233)(H2,176,234)(H2,177,235)(H2,178,236)(H2,179,237)(H2,180,238)(H2,181,241)(H,184,188)(H,186,266)(H,187,246)(H,189,249)(H,190,262)(H,191,269)(H,192,239)(H,193,248)(H,194,270)(H,195,271)(H,196,242)(H,197,247)(H,198,250)(H,199,253)(H,200,252)(H,201,254)(H,202,260)(H,203,259)(H,204,263)(H,205,267)(H,206,272)(H,207,268)(H,208,251)(H,209,261)(H,210,245)(H,211,273)(H,212,256)(H,213,255)(H,214,264)(H,215,243)(H,216,244)(H,217,258)(H,218,257)(H,219,265)(H4,182,183,185)/t81-,82-,83-,84-,85+,86+,87+,88+,89+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,128-,129-,130-,131-,132-,133-,134-,135-/m0/s1",NRKVKVQDUCJPIZ-MKAGXXMWSA-N
BMGC_DG04175,BMG_DG101476,,,,
BMGC_DG04176,BMG_DG101480,,N(C(=O)CNC(=O)[C@@H](NC([C@@H](NC([C@@H](NC(=O)[C@H]1NC(CC1)=O)CCC(N)=O)=O)CCCNC(N)=N)=O)CC(C)C)[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(N[C@@H](CCSC)C(N)=O)=O)CC(C)C)Cc2[nH]cnc2)C(C)C)C)Cc3c[nH]c4ccccc43)CCC(N)=O)CC(=O)N,,QXZBMSIDSOZZHK-DOPDSADYSA-N
BMGC_DG04177,BMG_DG101481,CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC8=CNC=N8)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@H](CO)N,,"InChI=1S/C136H210N40O31S/c1-75(2)109(127(200)154-71-106(181)156-88(31-13-17-52-137)114(187)158-89(32-14-18-53-138)115(188)159-91(35-21-56-149-134(142)143)116(189)164-96(37-23-58-151-136(146)147)131(204)175-60-25-39-104(175)126(199)173-111(77(5)6)128(201)163-90(33-15-19-54-139)120(193)171-110(76(3)4)129(202)169-101(65-80-43-47-84(180)48-44-80)132(205)176-61-26-40-105(176)133(206)207)172-125(198)103-38-24-59-174(103)130(203)95(34-16-20-55-140)157-107(182)70-153-113(186)99(66-81-68-152-87-30-12-11-29-85(81)87)167-117(190)92(36-22-57-150-135(144)145)160-121(194)98(63-78-27-9-8-10-28-78)166-123(196)100(67-82-69-148-74-155-82)168-118(191)93(49-50-108(183)184)161-119(192)94(51-62-208-7)162-124(197)102(73-178)170-122(195)97(165-112(185)86(141)72-177)64-79-41-45-83(179)46-42-79/h8-12,27-30,41-48,68-69,74-77,86,88-105,109-111,152,177-180H,13-26,31-40,49-67,70-73,137-141H2,1-7H3,(H,148,155)(H,153,186)(H,154,200)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,194)(H,161,192)(H,162,197)(H,163,201)(H,164,189)(H,165,185)(H,166,196)(H,167,190)(H,168,191)(H,169,202)(H,170,195)(H,171,193)(H,172,198)(H,173,199)(H,183,184)(H,206,207)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)/t86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,109-,110-,111-/m0/s1",ZOEFCCMDUURGSE-SQKVDDBVSA-N
BMGC_DG04178,BMG_DG101482,CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CNC(=O)CNC(=O)[C@H](CC5=CC=C(C=C5)O)N,C([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)[C@H]1N(C([C@@H](NC([C@@](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](Cc2ccccc2)NC(CNC(CNC([C@H](Cc3ccc(cc3)O)N)=O)=O)=O)=O)CC(C)C)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)([C@H](CC)C)[H])=O)CCCNC(=N)N)=O)CCC1)CCCCN)=O)CC(C)C)=O)CCCCN)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(O)=O)=O)CC(N)=O)=O)CC(O)=O)=O)c4c5c([nH]c4)cccc5,"InChI=1S/C99H155N31O23/c1-7-55(6)81(129-86(142)66(28-18-40-112-98(107)108)118-83(139)65(27-17-39-111-97(105)106)120-88(144)70(44-54(4)5)125-89(145)71(46-56-21-9-8-10-22-56)117-79(135)52-115-78(134)51-116-82(138)61(102)45-57-31-33-59(131)34-32-57)94(150)122-67(29-19-41-113-99(109)110)95(151)130-42-20-30-75(130)93(149)121-64(26-14-16-38-101)85(141)124-69(43-53(2)3)87(143)119-63(25-13-15-37-100)84(140)126-72(47-58-50-114-62-24-12-11-23-60(58)62)90(146)128-74(49-80(136)137)92(148)127-73(48-77(104)133)91(147)123-68(96(152)153)35-36-76(103)132/h8-12,21-24,31-34,50,53-55,61,63-75,81,114,131H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,132)(H2,104,133)(H,115,134)(H,116,138)(H,117,135)(H,118,139)(H,119,143)(H,120,144)(H,121,149)(H,122,150)(H,123,147)(H,124,141)(H,125,145)(H,126,140)(H,127,148)(H,128,146)(H,129,142)(H,136,137)(H,152,153)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1",JMNJYGMAUMANNW-FIXZTSJVSA-N
BMGC_DG04179,BMG_DG101486,,,,
BMGC_DG04180,BMG_DG101498,CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)[C@H](C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C,,"InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37-,43+,44+,45+,46+,47+,48+,49+,50-,60+,61+/m1/s1",DOAKLVKFURWEDJ-RWDRXURGSA-N
BMGC_DG04181,BMG_DG101504,CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]1C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N[C@H](CC2=CC=C(O3)C=C2)C(=O)N1)NC)O)O)Cl)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O,[C@H]12NC([C@H](NC([C@@H]3NC([C@@H]4c5c(c(O)cc(Oc6cc([C@H](C(N[C@@H](C(N4)=O)Cc7ccc(Oc8cc3cc(c8O[C@H]9[C@@]([C@H]([C@H](O)[C@H](O9)C(=O)O)O)(NC(=O)CCCCCCCCC(C)C)[H])Oc%10ccc([C@H]1O)cc%10Cl)cc7)=O)NC)ccc6O)c5)Cl)=O)=O)c%11cc(-c%12c([C@H](NC2=O)C(=O)NCCCN(C)C)cc(cc%12O[C@@H]%13[C@H]([C@H]([C@H](O)[C@H](O%13)CO)O)O)O)c(O)cc%11)=O,"InChI=1S/C88H100Cl2N10O28/c1-38(2)13-10-8-6-7-9-11-14-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)69-85(119)98-67(80(114)92-25-12-26-100(4)5)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)64(91-3)81(115)93-51(79(113)97-68)27-39-15-20-45(122-58)21-16-39/h15-24,28-36,38,51,60,64-76,78,87-88,91,101-105,107-112H,6-14,25-27,37H2,1-5H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121)/t51-,60-,64-,65-,66-,67+,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+/m1/s1",KGPGQDLTDHGEGT-SZUNQUCBSA-N
BMGC_DG04182,BMG_DG101506,C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)N)O,,"InChI=1S/C139H230N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-111,184-188H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/m0/s1",NDACAFBDTQIYCQ-YVQXRMNASA-N
BMGC_DG04183,BMG_DG101507,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC6=CN=CN6)N)C(=O)O,,"InChI=1S/C172H265N43O51/c1-18-20-21-22-23-24-25-26-27-28-29-30-37-53-129(224)195-116(170(265)266)59-64-128(223)180-68-41-40-50-111(153(248)199-115(62-67-135(232)233)154(249)204-120(73-100-44-33-31-34-45-100)159(254)214-140(93(11)19-2)167(262)192-97(15)146(241)201-122(76-103-79-183-108-49-39-38-48-106(103)108)157(252)203-118(72-90(5)6)158(253)212-138(91(7)8)165(260)200-110(52-43-70-182-172(177)178)149(244)184-81-130(225)193-109(51-42-69-181-171(175)176)148(243)187-84-137(236)237)196-144(239)95(13)189-143(238)94(12)191-152(247)114(58-63-127(174)222)194-131(226)82-185-151(246)113(61-66-134(230)231)198-155(250)117(71-89(3)4)202-156(251)119(75-102-54-56-105(221)57-55-102)205-162(257)124(85-216)208-164(259)126(87-218)209-166(261)139(92(9)10)213-161(256)123(78-136(234)235)206-163(258)125(86-217)210-169(264)142(99(17)220)215-160(255)121(74-101-46-35-32-36-47-101)207-168(263)141(98(16)219)211-132(227)83-186-150(245)112(60-65-133(228)229)197-145(240)96(14)190-147(242)107(173)77-104-80-179-88-188-104/h31-36,38-39,44-49,54-57,79-80,88-99,107,109-126,138-142,183,216-221H,18-30,37,40-43,50-53,58-78,81-87,173H2,1-17H3,(H2,174,222)(H,179,188)(H,180,223)(H,184,244)(H,185,246)(H,186,245)(H,187,243)(H,189,238)(H,190,242)(H,191,247)(H,192,262)(H,193,225)(H,194,226)(H,195,224)(H,196,239)(H,197,240)(H,198,250)(H,199,248)(H,200,260)(H,201,241)(H,202,251)(H,203,252)(H,204,249)(H,205,257)(H,206,258)(H,207,263)(H,208,259)(H,209,261)(H,210,264)(H,211,227)(H,212,253)(H,213,256)(H,214,254)(H,215,255)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,265,266)(H4,175,176,181)(H4,177,178,182)/t93-,94-,95-,96-,97-,98+,99+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,138-,139-,140-,141-,142-/m0/s1",YSDQQAXHVYUZIW-QCIJIYAXSA-N
BMGC_DG04184,BMG_DG101510,C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C,C([C@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@H](NC([C@H](NC(=O)C)Cc2cc3ccccc3cc2)=O)Cc4ccc(cc4)Cl)=O)Cc5cnccc5)=O)CO)=O)Cc6ccc(O)cc6)=O)CCCCNC(=O)N)=O)CC(C)C)=O)CCCCNC(C)C)=O)=O)C)(=O)N,"InChI=1S/C74H100ClN15O14/c1-43(2)35-57(66(96)84-56(19-10-11-32-79-44(3)4)73(103)90-34-14-20-63(90)72(102)81-45(5)64(76)94)85-65(95)55(18-9-12-33-80-74(77)104)83-68(98)59(38-48-24-29-54(93)30-25-48)88-71(101)62(42-91)89-70(100)61(40-50-15-13-31-78-41-50)87-69(99)60(37-47-22-27-53(75)28-23-47)86-67(97)58(82-46(6)92)39-49-21-26-51-16-7-8-17-52(51)36-49/h7-8,13,15-17,21-31,36,41,43-45,55-63,79,91,93H,9-12,14,18-20,32-35,37-40,42H2,1-6H3,(H2,76,94)(H,81,102)(H,82,92)(H,83,98)(H,84,96)(H,85,95)(H,86,97)(H,87,99)(H,88,101)(H,89,100)(H3,77,80,104)/t45-,55-,56+,57+,58-,59+,60-,61-,62+,63+/m1/s1",NOENHWMKHNSHGX-IAOPALDYSA-N
BMGC_DG04185,BMG_DG101512,,C[C@]12[C@@H](C(=O)O)[C@H](O)C(C)(C)[C@]1([H])CC[C@]3([C@@]4(CC[C@]5(CC[C@@H](C(=C)C)[C@]5([H])[C@@]4([H])CC[C@@]32[H])C(=O)O)C)C,,WLCHQSHZHFLMJH-VILVJDKQSA-N
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BMGC_DG04189,BMG_DG101522,C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(C=C2)NC(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)NC(=O)[C@@H]4CC(=O)NC(=O)N4)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CN=CC=C5)NC(=O)[C@@H](CC6=CC=C(C=C6)Cl)NC(=O)[C@@H](CC7=CC8=CC=CC=C8C=C7)NC(=O)C,C(=O)([C@H]1NC(NC(C1)=O)=O)Nc2ccc(C[C@H](NC([C@@H](NC([C@H](NC([C@H](NC([C@H](NC(C)=O)Cc3ccc4c(c3)cccc4)=O)Cc5ccc(cc5)Cl)=O)Cc6cnccc6)=O)CO)=O)C(N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N7CCC[C@@]7([H])C(N[C@@H](C(=O)N)C)=O)CCCCNC(C)C)CC(C)C)Cc8ccc(cc8)NC(=O)N)=O)cc2,"InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1",MEUCPCLKGZSHTA-XYAYPHGZSA-N
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BMGC_DG04194,BMG_DG101532,,CCOc1ccc2c(c1)Oc3cc(OCC)ccc3C42OC(=O)c5ccccc45,,XAPFGEPPWZRGFN-UHFFFAOYSA-N
BMGC_DG04195,BMG_DG101533,C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(C=C2)NC(=O)C)NC(=O)[C@H](CC3=CC=C(C=C3)NC(=O)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CC4=CN=CC=C4)NC(=O)[C@@H](CC5=CC=C(C=C5)Cl)NC(=O)[C@@H](CC6=CC7=CC=CC=C7C=C6)NC(=O)C,C([C@@H](NC([C@@H](NC([C@@H](Cc1ccc(cc1)NC(C)=O)NC([C@H](Cc2ccc(cc2)NC(C)=O)NC([C@@H](NC([C@@H](Cc3cccnc3)NC([C@@H](Cc4ccc(cc4)Cl)NC([C@@H](Cc5cc6c(cc5)cccc6)NC(C)=O)=O)=O)=O)CO)=O)=O)=O)CC(C)C)=O)CCCCNC(C)C)(=O)N7[C@H](C(N[C@@H](C(N)=O)C)=O)CCC7,"InChI=1S/C80H102ClN15O14/c1-46(2)37-63(72(102)89-62(18-11-12-35-84-47(3)4)80(110)96-36-14-19-70(96)79(109)85-48(5)71(82)101)90-74(104)66(40-53-23-30-60(31-24-53)86-49(6)98)92-76(106)67(41-54-25-32-61(33-26-54)87-50(7)99)94-78(108)69(45-97)95-77(107)68(43-56-15-13-34-83-44-56)93-75(105)65(39-52-21-28-59(81)29-22-52)91-73(103)64(88-51(8)100)42-55-20-27-57-16-9-10-17-58(57)38-55/h9-10,13,15-17,20-34,38,44,46-48,62-70,84,97H,11-12,14,18-19,35-37,39-43,45H2,1-8H3,(H2,82,101)(H,85,109)(H,86,98)(H,87,99)(H,88,100)(H,89,102)(H,90,104)(H,91,103)(H,92,106)(H,93,105)(H,94,108)(H,95,107)/t48-,62+,63+,64-,65-,66-,67+,68-,69+,70+/m1/s1",ZWNUQDJANZGVFO-YHSALVGYSA-N
BMGC_DG04196,BMG_DG101540,CC/C=C/CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N,,"InChI=1S/C221H366N72O67S/c1-25-28-30-53-163(308)260-145(92-120-54-58-122(299)59-55-120)198(343)255-116(21)179(324)276-150(96-169(316)317)199(344)256-117(22)180(325)291-172(111(16)26-2)214(359)284-147(91-119-43-31-29-32-44-119)206(351)293-174(118(23)298)215(360)285-149(95-162(230)307)205(350)289-155(104-297)210(355)280-146(93-121-56-60-123(300)61-57-121)203(348)267-130(51-41-83-248-220(240)241)186(331)266-126(46-34-36-78-223)197(342)290-171(110(14)15)212(357)283-141(87-106(6)7)183(328)252-100-166(311)258-133(63-70-157(225)302)190(335)278-144(90-109(12)13)202(347)288-152(101-294)208(353)257-115(20)178(323)262-128(49-39-81-246-218(236)237)185(330)265-125(45-33-35-77-222)189(334)277-143(89-108(10)11)201(346)279-142(88-107(8)9)200(345)272-137(66-73-160(228)305)195(340)282-151(97-170(318)319)207(352)292-173(112(17)27-3)213(358)274-139(76-85-361-24)196(341)287-153(102-295)209(354)268-131(52-42-84-249-221(242)243)187(332)270-135(64-71-158(226)303)192(337)269-132(62-69-156(224)301)182(327)251-99-165(310)259-134(67-74-167(312)313)191(336)286-154(103-296)211(356)281-148(94-161(229)306)204(349)273-136(65-72-159(227)304)193(338)271-138(68-75-168(314)315)194(339)264-124(47-37-79-244-216(232)233)181(326)250-98-164(309)253-113(18)176(321)261-127(48-38-80-245-217(234)235)184(329)254-114(19)177(322)263-129(50-40-82-247-219(238)239)188(333)275-140(175(231)320)86-105(4)5/h28-32,43-44,54-61,105-118,124-155,171-174,294-300H,25-27,33-42,45-53,62-104,222-223H2,1-24H3,(H2,224,301)(H2,225,302)(H2,226,303)(H2,227,304)(H2,228,305)(H2,229,306)(H2,230,307)(H2,231,320)(H,250,326)(H,251,327)(H,252,328)(H,253,309)(H,254,329)(H,255,343)(H,256,344)(H,257,353)(H,258,311)(H,259,310)(H,260,308)(H,261,321)(H,262,323)(H,263,322)(H,264,339)(H,265,330)(H,266,331)(H,267,348)(H,268,354)(H,269,337)(H,270,332)(H,271,338)(H,272,345)(H,273,349)(H,274,358)(H,275,333)(H,276,324)(H,277,334)(H,278,335)(H,279,346)(H,280,355)(H,281,356)(H,282,340)(H,283,357)(H,284,359)(H,285,360)(H,286,336)(H,287,341)(H,288,347)(H,289,350)(H,290,342)(H,291,325)(H,292,352)(H,293,351)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H4,232,233,244)(H4,234,235,245)(H4,236,237,246)(H4,238,239,247)(H4,240,241,248)(H4,242,243,249)/b30-28+/t111-,112-,113-,114-,115-,116-,117-,118+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,171-,172-,173-,174-/m0/s1",QBEPNUQJQWDYKU-BMGKTWPMSA-N
BMGC_DG04197,BMG_DG101550,CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC5=CN=CN5)N,,"InChI=1S/C164H252N44O55S/c1-21-77(11)126(156(255)187-95(44-46-114(167)214)141(240)206-130(83(17)211)160(259)186-93(42-33-34-49-165)140(239)202-129(80(14)24-4)159(258)208-131(84(18)212)161(260)200-111(163(262)263)66-125(230)231)203-151(250)100(54-76(9)10)189-145(244)103(57-88-67-175-92-41-32-31-40-90(88)92)192-147(246)105(60-116(169)216)199-157(256)127(78(12)22-2)204-152(251)102(56-87-38-29-26-30-39-87)190-149(248)109(64-123(226)227)195-137(236)94(43-35-50-174-164(171)172)183-134(233)82(16)179-133(232)81(15)180-142(241)98(52-74(5)6)188-146(245)104(59-115(168)215)194-150(249)110(65-124(228)229)196-143(242)99(53-75(7)8)198-158(257)128(79(13)23-3)205-162(261)132(85(19)213)207-153(252)106(61-117(170)217)193-139(238)97(48-51-264-20)185-138(237)96(45-47-120(220)221)184-148(247)108(63-122(224)225)197-155(254)113(72-210)201-144(243)101(55-86-36-27-25-28-37-86)191-154(253)112(71-209)182-119(219)70-177-136(235)107(62-121(222)223)181-118(218)69-176-135(234)91(166)58-89-68-173-73-178-89/h25-32,36-41,67-68,73-85,91,93-113,126-132,175,209-213H,21-24,33-35,42-66,69-72,165-166H2,1-20H3,(H2,167,214)(H2,168,215)(H2,169,216)(H2,170,217)(H,173,178)(H,176,234)(H,177,235)(H,179,232)(H,180,241)(H,181,218)(H,182,219)(H,183,233)(H,184,247)(H,185,237)(H,186,259)(H,187,255)(H,188,245)(H,189,244)(H,190,248)(H,191,253)(H,192,246)(H,193,238)(H,194,249)(H,195,236)(H,196,242)(H,197,254)(H,198,257)(H,199,256)(H,200,260)(H,201,243)(H,202,239)(H,203,250)(H,204,251)(H,205,261)(H,206,240)(H,207,252)(H,208,258)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,262,263)(H4,171,172,174)/t77-,78-,79-,80-,81-,82-,83+,84+,85+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,126-,127-,128-,129-,130-,131-,132-/m0/s1",CILIXQOJUNDIDU-ASQIGDHWSA-N
BMGC_DG04198,BMG_DG101552,CC(CC1=CC2=C(C=C1)OCO2)N,c12c(OCO1)ccc(c2)CC(N)C,"InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3",NGBBVGZWCFBOGO-UHFFFAOYSA-N
BMGC_DG04199,BMG_DG101574,,C([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)C)Cc2ccc(O)cc2)=O)CCCCN)=O)Cc3c[nH]c4ccccc34)=O)Cc5c[nH]c6ccccc56)=O)CC(C)C)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)C)=O)CCCNC(=N)N)=O)=O)CCCCN)(=O)N,,BRVWVZJLUPHDEY-PPYNJGRRSA-N
BMGC_DG04200,BMG_DG101581,,,,
BMGC_DG04201,BMG_DG101592,C[As](O)O,,"InChI=1S/CH5AsO2/c1-2(3)4/h3-4H,1H3",OXBIRPQQKCQWGV-UHFFFAOYSA-N
BMGC_DG04202,BMG_DG101595,CC(CC1=CC2=C(C=C1)OCO2)NC,c12c(OCO1)ccc(c2)CC(NC)C,"InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3",SHXWCVYOXRDMCX-UHFFFAOYSA-N
BMGC_DG04203,BMG_DG101596,C1=C(N(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,,"InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1",PDACUKOKVHBVHJ-XVFCMESISA-N
BMGC_DG04204,BMG_DG101606,C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC1)O)O)O,C1C(N(CCCCCNC(CCC(N(CCCCCNC(CCC(N(CCCCCNC(C1)=O)O)=O)=O)O)=O)=O)O)=O,"InChI=1S/C27H48N6O9/c34-22-10-14-26(38)32(41)20-8-3-6-18-30-24(36)12-15-27(39)33(42)21-9-2-5-17-29-23(35)11-13-25(37)31(40)19-7-1-4-16-28-22/h40-42H,1-21H2,(H,28,34)(H,29,35)(H,30,36)",NHKCCADZVLTPPO-UHFFFAOYSA-N
BMGC_DG04205,BMG_DG101615,,Clc1cc2[C@@H](O)[C@@]3(NC(=O)[C@](NC(=O)[C@@]4(NC(=O)[C@]5(NC(=O)[C@](NC(=O)[C@H](N)c6cc(Oc7cc5cc(O)c7)c(O)cc6)(Cc8cc(Cl)c(Oc9cc4cc(Oc1cc2)c9O)cc8)[H])[H])[H])(c%10cc(-c%11c([C@H](NC3=O)C(O)=O)cc(O)cc%11O)c(O)cc%10)[H])[H],,DKVBOUDTNWVDEP-NJCHZNEYSA-N
BMGC_DG04206,BMG_DG101622,C1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O,Oc1c(O)cc(cc1O)[C@@H]2[C@@H](O)C(=O)c3c(O)cc(O)cc3O2,"InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1",KJXSIXMJHKAJOD-LSDHHAIUSA-N
BMGC_DG04207,BMG_DG101637,CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC9=CN=CN9)N,,"InChI=1S/C184H282N50O60S/c1-16-94(10)147(178(289)213-114(52-58-144(257)258)163(274)218-121(73-101-77-195-105-39-24-23-38-103(101)105)168(279)215-116(68-90(2)3)165(276)205-107(41-26-28-61-186)158(269)219-122(75-134(189)243)154(265)198-79-135(244)196-83-139(248)231-63-30-43-129(231)175(286)225-127(87-238)174(285)223-125(85-236)155(266)200-80-136(245)202-96(12)181(292)233-65-32-45-131(233)183(294)234-66-33-46-132(234)182(293)232-64-31-44-130(232)176(287)222-124(84-235)150(190)261)229-170(281)119(71-99-34-19-17-20-35-99)217-166(277)117(69-91(4)5)214-159(270)108(42-29-62-194-184(191)192)212-177(288)146(93(8)9)228-151(262)95(11)203-156(267)111(49-55-141(251)252)208-161(272)112(50-56-142(253)254)209-162(273)113(51-57-143(255)256)210-164(275)115(59-67-295-15)211-160(271)110(47-53-133(188)242)207-157(268)106(40-25-27-60-185)206-172(283)126(86-237)224-167(278)118(70-92(6)7)216-169(280)123(76-145(259)260)220-173(284)128(88-239)226-180(291)149(98(14)241)230-171(282)120(72-100-36-21-18-22-37-100)221-179(290)148(97(13)240)227-138(247)82-199-153(264)109(48-54-140(249)250)204-137(246)81-197-152(263)104(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104,106-132,146-149,195,235-241H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H2,190,261)(H,193,201)(H,196,244)(H,197,263)(H,198,265)(H,199,264)(H,200,266)(H,202,245)(H,203,267)(H,204,246)(H,205,276)(H,206,283)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,271)(H,212,288)(H,213,289)(H,214,270)(H,215,279)(H,216,280)(H,217,277)(H,218,274)(H,219,269)(H,220,284)(H,221,290)(H,222,287)(H,223,285)(H,224,278)(H,225,286)(H,226,291)(H,227,247)(H,228,262)(H,229,281)(H,230,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)/t94-,95-,96-,97+,98+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,146-,147-,148-,149-/m0/s1",HTQBXNHDCUEHJF-XWLPCZSASA-N
BMGC_DG04208,BMG_DG101647,C[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N3)N)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N1)CC(=O)N)CC6=CC=C(C=C6)O)CCC(=O)O,,"InChI=1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)/t26-,27+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1",KXGCNMMJRFDFNR-WDRJZQOASA-N
BMGC_DG04209,BMG_DG101650,CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)NCC(=O)O)N,,"InChI=1S/C91H127N25O23S/c1-48(2)76(94)88(138)103-46-72(120)105-64(19-11-36-100-91(97)98)89(139)116-37-12-20-70(116)87(137)110-62(30-32-73(121)122)81(131)113-68(42-52-45-102-58-16-7-5-14-56(52)58)85(135)114-67(41-51-44-101-57-15-6-4-13-55(51)57)84(134)109-63(33-38-140-3)82(132)115-69(43-74(123)124)86(136)112-66(40-50-23-27-54(118)28-24-50)83(133)108-61(29-31-71(93)119)80(130)106-59(17-8-9-34-92)78(128)107-60(18-10-35-99-90(95)96)79(129)111-65(77(127)104-47-75(125)126)39-49-21-25-53(117)26-22-49/h4-7,13-16,21-28,44-45,48,59-70,76,101-102,117-118H,8-12,17-20,29-43,46-47,92,94H2,1-3H3,(H2,93,119)(H,103,138)(H,104,127)(H,105,120)(H,106,130)(H,107,128)(H,108,133)(H,109,134)(H,110,137)(H,111,129)(H,112,136)(H,113,131)(H,114,135)(H,115,132)(H,121,122)(H,123,124)(H,125,126)(H4,95,96,99)(H4,97,98,100)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,76-/m0/s1",GOEYECACIBFJGZ-NPAGUKBMSA-N
BMGC_DG04210,BMG_DG101652,C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CN=CN2)N)O,,"InChI=1S/C130H220N44O40/c1-60(2)43-81(120(208)173-100(66(13)14)103(134)191)153-95(183)54-149-106(194)77(31-35-92(132)180)159-116(204)84(46-63(7)8)166-118(206)85(47-64(9)10)164-111(199)75(29-23-41-146-129(139)140)155-113(201)79(32-36-93(133)181)160-117(205)83(45-62(5)6)162-110(198)73(27-21-39-144-127(135)136)154-104(192)67(15)152-94(182)53-148-107(195)78(33-37-97(185)186)158-109(197)74(28-22-40-145-128(137)138)156-115(203)82(44-61(3)4)163-112(200)76(30-24-42-147-130(141)142)157-122(210)90(57-176)170-119(207)86(48-65(11)12)165-114(202)80(34-38-98(187)188)161-123(211)91(58-177)171-126(214)102(69(17)179)174-121(209)87(49-70-25-19-18-20-26-70)168-125(213)101(68(16)178)172-96(184)55-150-108(196)88(51-99(189)190)167-124(212)89(56-175)169-105(193)72(131)50-71-52-143-59-151-71/h18-20,25-26,52,59-69,72-91,100-102,175-179H,21-24,27-51,53-58,131H2,1-17H3,(H2,132,180)(H2,133,181)(H2,134,191)(H,143,151)(H,148,195)(H,149,194)(H,150,196)(H,152,182)(H,153,183)(H,154,192)(H,155,201)(H,156,203)(H,157,210)(H,158,197)(H,159,204)(H,160,205)(H,161,211)(H,162,198)(H,163,200)(H,164,199)(H,165,202)(H,166,206)(H,167,212)(H,168,213)(H,169,193)(H,170,207)(H,171,214)(H,172,184)(H,173,208)(H,174,209)(H,185,186)(H,187,188)(H,189,190)(H4,135,136,144)(H4,137,138,145)(H4,139,140,146)(H4,141,142,147)/t67-,68+,69+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,100-,101-,102-/m0/s1",OWMZNFCDEHGFEP-NFBCVYDUSA-N
BMGC_DG04211,BMG_DG101666,,[C@]1([C@](C)(O)CCC=C(C)C)([H])CCC(C)=CC1,,RGZSQWQPBWRIAQ-HUUCEWRRSA-N
BMGC_DG04212,BMG_DG101671,C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@@H]7CCCN7C(=O)CNC(=O)[C@@H]8CCC(=O)N8,,"InChI=1S/C97H124N20O31S/c1-49(2)39-68(114-95(146)71(43-54-46-100-59-18-11-9-16-57(54)59)116-97(148)73-19-12-37-117(73)76(121)48-102-85(136)60-24-30-74(119)104-60)93(144)110-65(29-35-81(130)131)91(142)109-64(28-34-80(128)129)90(141)108-63(27-33-79(126)127)89(140)107-62(26-32-78(124)125)88(139)106-61(25-31-77(122)123)87(138)103-50(3)84(135)113-69(41-52-20-22-55(118)23-21-52)86(137)101-47-75(120)105-70(42-53-45-99-58-17-10-8-15-56(53)58)94(145)111-66(36-38-149-4)92(143)115-72(44-82(132)133)96(147)112-67(83(98)134)40-51-13-6-5-7-14-51/h5-11,13-18,20-23,45-46,49-50,60-73,99-100,118H,12,19,24-44,47-48H2,1-4H3,(H2,98,134)(H,101,137)(H,102,136)(H,103,138)(H,104,119)(H,105,120)(H,106,139)(H,107,140)(H,108,141)(H,109,142)(H,110,144)(H,111,145)(H,112,147)(H,113,135)(H,114,146)(H,115,143)(H,116,148)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133)/t50-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1",GKDWRERMBNGKCZ-RNXBIMIWSA-N
BMGC_DG04213,BMG_DG101680,,,,
BMGC_DG04214,BMG_DG101684,C([C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)O,OC[C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6-/m1/s1",GZCGUPFRVQAUEE-KVTDHHQDSA-N
BMGC_DG04215,BMG_DG101686,,c1c(OC)c(OC)cc2c1CCN3Cc4c(ccc(O)c4OC)C[C@@]23[H],,DIHXHTWYVOYYDC-INIZCTEOSA-N
BMGC_DG04216,BMG_DG101710,C(CC[C@H](C(=O)O)N)CCP(=O)(O)O,C(O)(=O)[C@H](N)CCCCCP(O)(O)=O,"InChI=1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)/t6-/m1/s1",MYDMWESTDPJANS-ZCFIWIBFSA-N
BMGC_DG04217,BMG_DG101746,CCN(CC)CC(=O)NC1=C(C=CC(=C1C)O)C,,"InChI=1S/C14H22N2O2/c1-5-16(6-2)9-13(18)15-14-10(3)7-8-12(17)11(14)4/h7-8,17H,5-6,9H2,1-4H3,(H,15,18)",PMGUCIDDSCRAMY-UHFFFAOYSA-N
BMGC_DG04218,BMG_DG101759,C1=CC=C(C(=C1)C2=CC(=O)C3=CC=CC=C3O2)O,,"InChI=1S/C15H10O3/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-9,16H",ZZLQHXCRRMUGQJ-UHFFFAOYSA-N
BMGC_DG04219,BMG_DG101761,CC1=C2C(=O)N[C@H](C3=NC(=C(S3)COC)C(=O)NCC(=O)N[C@H](C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)C8=N[C@@H](CO8)C(=O)N9CCC[C@H]9C(=O)N)C3=NC(=CS3)C(=O)N[C@H](C(=N2)S1)CC(=O)NC)[C@H](C1=CC=CC=C1)O)C(C)C,O=C1c2nc(sc2)-c3c(-c4nc(sc4)-c5nc(sc5)[C@]([C@@H](O)c6ccccc6)(NC(CNC(c7nc([C@@H](NC(c8nc([C@@H](N1)CC(NC)=O)sc8C)=O)C(C)C)sc7COC)=O)=O)[H])nc(cc3)-c9nc(cs9)C%10=N[C@@H](CO%10)C(=O)N%11[C@H](C(N)=O)CCC%11,"InChI=1S/C56H55N15O10S6/c1-24(2)39-55-70-42(36(87-55)19-80-5)47(77)59-17-38(73)67-43(44(74)26-10-7-6-8-11-26)54-66-34(23-85-54)52-63-31(20-83-52)41-27(50-64-32(21-82-50)46(76)61-29(16-37(72)58-4)53-69-40(25(3)86-53)48(78)68-39)13-14-28(60-41)51-65-33(22-84-51)49-62-30(18-81-49)56(79)71-15-9-12-35(71)45(57)75/h6-8,10-11,13-14,20-24,29-30,35,39,43-44,74H,9,12,15-19H2,1-5H3,(H2,57,75)(H,58,72)(H,59,77)(H,61,76)(H,67,73)(H,68,78)/t29-,30-,35-,39-,43-,44-/m0/s1",JMDULECOHIXMNX-MZHFYNGJSA-N
BMGC_DG04220,BMG_DG101763,CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)N,,"InChI=1S/C208H344N60O63S2/c1-30-106(20)161(165(215)291)263-202(328)163(108(22)32-3)264-184(310)129(58-67-157(285)286)243-182(308)131(70-78-333-29)246-187(313)134(80-99(6)7)250-176(302)118(45-36-37-71-209)237-174(300)120(47-39-73-225-207(218)219)239-194(320)143(89-152(214)276)256-197(323)145(94-270)260-193(319)141(87-115-91-222-96-227-115)248-169(295)112(26)230-172(298)122(51-60-149(211)273)240-177(303)123(52-61-150(212)274)234-168(294)111(25)232-185(311)133(79-98(4)5)249-181(307)124(53-62-151(213)275)241-178(304)125(54-63-153(277)278)235-167(293)110(24)229-171(297)119(46-38-72-224-206(216)217)233-166(292)109(23)231-173(299)130(69-77-332-28)245-179(305)127(56-65-155(281)282)244-188(314)138(84-103(14)15)258-200(326)160(105(18)19)262-183(309)128(57-66-156(283)284)242-175(301)121(48-40-74-226-208(220)221)238-186(312)135(81-100(8)9)251-189(315)136(82-101(10)11)252-192(318)142(88-116-92-223-97-228-116)255-191(317)140(86-114-43-34-33-35-44-114)259-203(329)164(113(27)272)266-196(322)139(85-104(16)17)253-195(321)144(90-159(289)290)257-190(316)137(83-102(12)13)254-198(324)146(95-271)261-201(327)162(107(21)31-2)265-199(325)147-49-41-75-267(147)205(331)148-50-42-76-268(148)204(330)132(59-68-158(287)288)247-180(306)126(55-64-154(279)280)236-170(296)117(210)93-269/h33-35,43-44,91-92,96-113,117-148,160-164,269-272H,30-32,36-42,45-90,93-95,209-210H2,1-29H3,(H2,211,273)(H2,212,274)(H2,213,275)(H2,214,276)(H2,215,291)(H,222,227)(H,223,228)(H,229,297)(H,230,298)(H,231,299)(H,232,311)(H,233,292)(H,234,294)(H,235,293)(H,236,296)(H,237,300)(H,238,312)(H,239,320)(H,240,303)(H,241,304)(H,242,301)(H,243,308)(H,244,314)(H,245,305)(H,246,313)(H,247,306)(H,248,295)(H,249,307)(H,250,302)(H,251,315)(H,252,318)(H,253,321)(H,254,324)(H,255,317)(H,256,323)(H,257,316)(H,258,326)(H,259,329)(H,260,319)(H,261,327)(H,262,309)(H,263,328)(H,264,310)(H,265,325)(H,266,322)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H4,216,217,224)(H4,218,219,225)(H4,220,221,226)/t106-,107-,108-,109-,110-,111-,112-,113+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,160-,161-,162-,163-,164-/m0/s1",GBONBLHJMVUBSJ-FAUHKOHMSA-N
BMGC_DG04221,BMG_DG101777,C1C=C(NC(=O)N1C2=CC=CC=C2O)C3=CC(=CC=C3)[N+](=O)[O-],C1(NC(=CCN1c2c(cccc2)O)c3cc(ccc3)[N+](=O)[O-])=O,"InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)",RCEFMOGVOYEGJN-UHFFFAOYSA-N
BMGC_DG04222,BMG_DG101792,CC1CC(=O)CC(C1(/C=C/C(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C,,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+",QFTPTUOKFIIFJH-AATRIKPKSA-N
BMGC_DG04223,BMG_DG101793,CC(C)C(C1=CC=C(C=C1)Cl)C(=O)O,,"InChI=1S/C11H13ClO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)",VTJMSIIXXKNIDJ-UHFFFAOYSA-N
BMGC_DG04224,BMG_DG101801,CCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N5CCC[C@H]5C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CO)NC(=O)C,,"InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1",UAHFGYDRQSXQEB-LEBBXHLNSA-N
BMGC_DG04225,BMG_DG101808,CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N,,"InChI=1S/C205H340N60O53/c1-20-114(16)162(261-179(296)128(66-40-46-86-211)235-176(293)135(74-78-155(273)274)243-170(287)125(63-37-43-83-208)241-192(309)148(106-266)257-174(291)126(64-38-44-84-209)234-171(288)129(67-47-87-225-201(215)216)240-185(302)142(98-119-55-29-24-30-56-119)252-187(304)144(100-121-59-33-26-34-60-121)253-189(306)146(102-158(279)280)233-154(272)104-230-167(284)138(94-109(6)7)248-166(283)122(212)93-108(4)5)194(311)231-105-153(271)232-123(61-35-41-81-206)168(285)242-136(75-79-156(275)276)177(294)251-141(97-118-53-27-23-28-54-118)184(301)238-124(62-36-42-82-207)169(286)236-131(69-49-89-227-203(219)220)181(298)263-164(116(18)22-3)197(314)259-160(112(12)13)195(312)246-134(73-77-151(213)269)175(292)237-132(70-50-90-228-204(221)222)180(297)262-163(115(17)21-2)196(313)245-127(65-39-45-85-210)172(289)256-147(103-159(281)282)190(307)254-143(99-120-57-31-25-32-58-120)186(303)249-139(95-110(8)9)183(300)239-130(68-48-88-226-202(217)218)173(290)255-145(101-152(214)270)188(305)250-140(96-111(10)11)191(308)260-161(113(14)15)199(316)265-92-52-72-150(265)193(310)244-133(71-51-91-229-205(223)224)182(299)264-165(117(19)268)198(315)247-137(76-80-157(277)278)178(295)258-149(107-267)200(317)318/h23-34,53-60,108-117,122-150,160-165,266-268H,20-22,35-52,61-107,206-212H2,1-19H3,(H2,213,269)(H2,214,270)(H,230,284)(H,231,311)(H,232,271)(H,233,272)(H,234,288)(H,235,293)(H,236,286)(H,237,292)(H,238,301)(H,239,300)(H,240,302)(H,241,309)(H,242,285)(H,243,287)(H,244,310)(H,245,313)(H,246,312)(H,247,315)(H,248,283)(H,249,303)(H,250,305)(H,251,294)(H,252,304)(H,253,306)(H,254,307)(H,255,290)(H,256,289)(H,257,291)(H,258,295)(H,259,314)(H,260,308)(H,261,296)(H,262,297)(H,263,298)(H,264,299)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,317,318)(H4,215,216,225)(H4,217,218,226)(H4,219,220,227)(H4,221,222,228)(H4,223,224,229)/t114-,115-,116-,117+,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,160-,161-,162-,163-,164-,165-/m0/s1",POIUWJQBRNEFGX-XAMSXPGMSA-N
BMGC_DG04226,BMG_DG101817,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCC(=O)N4,N(C(=O)CNC(=O)[C@@H](NC([C@@H](NC([C@@H](NC(=O)[C@H]1NC(CC1)=O)CCC(N)=O)=O)CCCNC(N)=N)=O)CC(C)C)[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(N[C@@H](CCSC)C(N)=O)=O)CC(C)C)Cc2[nH]cnc2)C(C)C)C)Cc3c[nH]c4ccccc43)CCC(N)=O)CC(=O)N,"InChI=1S/C71H110N24O18S/c1-34(2)24-47(92-62(105)43(14-11-22-79-71(76)77)89-64(107)45(15-18-52(72)96)90-63(106)44-17-20-55(99)85-44)61(104)81-31-56(100)87-51(28-54(74)98)69(112)91-46(16-19-53(73)97)65(108)94-49(26-38-29-80-41-13-10-9-12-40(38)41)66(109)84-37(7)60(103)95-58(36(5)6)70(113)82-32-57(101)86-50(27-39-30-78-33-83-39)68(111)93-48(25-35(3)4)67(110)88-42(59(75)102)21-23-114-8/h9-10,12-13,29-30,33-37,42-51,58,80H,11,14-28,31-32H2,1-8H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,102)(H,78,83)(H,81,104)(H,82,113)(H,84,109)(H,85,99)(H,86,101)(H,87,100)(H,88,110)(H,89,107)(H,90,106)(H,91,112)(H,92,105)(H,93,111)(H,94,108)(H,95,103)(H4,76,77,79)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1",QXZBMSIDSOZZHK-DOPDSADYSA-N
BMGC_DG04227,BMG_DG101820,CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@](C)(/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)N3CCN(CC3)C4CCCCCC4)C)O)O,O([C@H]1\C=C\[C@@H]([C@@]([H])(\C(\C)=C\C=C\[C@](C[C@@H]2[C@@]([C@@H]([C@H](CC)O)C)(O2)[H])(C)O)OC(C[C@@H](CC[C@]1(O)C)O)=O)C)C(N3CCN(C4CCCCCC4)CC3)=O,"InChI=1S/C40H66N2O9/c1-7-32(44)29(4)37-33(49-37)26-39(5,47)19-12-13-27(2)36-28(3)16-17-34(40(6,48)20-18-31(43)25-35(45)51-36)50-38(46)42-23-21-41(22-24-42)30-14-10-8-9-11-15-30/h12-13,16-17,19,28-34,36-37,43-44,47-48H,7-11,14-15,18,20-26H2,1-6H3/b17-16+,19-12+,27-13+/t28-,29+,31+,32-,33+,34-,36+,37+,39-,40+/m0/s1",MNOMBFWMICHMKG-MGYWSNOQSA-N
BMGC_DG04228,BMG_DG101821,,N1(CCN(CC1)c2c3c(ncc2Cl)[nH]c(n3)-c4ccc(cc4)N(C)C)CC(=O)Nc5sccn5,,QYKHWEFPFAGNEV-UHFFFAOYSA-N
BMGC_DG04229,BMG_DG101842,CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+],c1(c(c2ccccc2oc1=O)[O-])C(CC(=O)C)c3ccccc3.[Na+],"InChI=1S/C19H16O4.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1",KYITYFHKDODNCQ-UHFFFAOYSA-M
BMGC_DG04230,BMG_DG101962,,Cc1cc(ccc1O)C2(c3ccc(c(C)c3)O)c4ccccc4NC2=O,,ZEKCYPANSOJWDH-UHFFFAOYSA-N
BMGC_DG04231,BMG_DG101982,C/C=C(\C)/C(=O)OC1[C@@H](C2([C@@H](C[C@@]3(C(=CCC4C3(CCC5C4(CCC([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C2CC1(C)C)C)O)CO)OC(=O)C,,"InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26?,27-,28-,29?,30?,31-,32?,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43?,44+,47+,48-,49-,51?,52-,53?,54-,55?/m1/s1",AXNVHPCVMSNXNP-YSYFQUGBSA-N
BMGC_DG04232,BMG_DG102049,,,,
BMGC_DG04233,BMG_DG102086,CC1=CC2=C(C=C1C)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57?,59-,60+,61+,62+;;/m1../s1",FDJOLVPMNUYSCM-QJRSUKKJSA-L
BMGC_DG04234,BMG_DG102099,C(COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCCO)OCCO)OCCO)OCCO)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,,"InChI=1S/C16H32O11.C6H12O6/c17-1-6-22-11-12-13(23-7-2-18)14(24-8-3-19)15(25-9-4-20)16(27-12)26-10-5-21;7-1-2-3(8)4(9)5(10)6(11)12-2/h12-21H,1-11H2;2-11H,1H2/t12-,13-,14+,15-,16+;2-,3-,4+,5-,6+/m11/s1",DNZMDASEFMLYBU-RNBXVSKKSA-N
BMGC_DG04235,BMG_DG102133,,c1(cccc2cc(ccc12)-c3ccc(cc3)OCc4c(noc4C(C)C)-c5c(cccc5Cl)Cl)C(=O)O,,TUOXXRMLFZBSTB-UHFFFAOYSA-N
BMGC_DG04236,BMG_DG102134,,c1nc(ccc1-c2ccccn2)/C=C/[C@@]3([C@]4([C@@](C[C@]5([C@]3(CC[C@](C5)(NC(OCC)=O)[H])[H])[H])(C(O[C@@H]4C)=O)[H])[H])[H],,IHWKYASJAJITBL-MSGZWQTISA-N
BMGC_DG04237,BMG_DG102149,,C(CCCCCCC)CCCCCCN,,PLZVEHJLHYMBBY-UHFFFAOYSA-N
BMGC_DG04238,BMG_DG102174,CNCCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,C1(OCc2cc(ccc21)C#N)(CCCNC)c3ccc(cc3)F,"InChI=1S/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3",PTJADDMMFYXMMG-UHFFFAOYSA-N
BMGC_DG04239,BMG_DG102202,C[C@H](CC1=CC=C(C=C1)OCC(=O)[O-])NC[C@@H](C2=CC(=CC=C2)Cl)O.[Na+],c1(cc([C@H](CN[C@H](C)Cc2ccc(cc2)OCC([O-])=O)O)ccc1)Cl.[Na+],"InChI=1S/C19H22ClNO4.Na/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24;/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24);/q;+1/p-1/t13-,18+;/m1./s1",SNJIJYKMYQRHRC-WJKBNZMCSA-M
BMGC_DG04240,BMG_DG102236,,C[C@@]12CCN(C)[C@]1([H])N(C)c3ccc(OC(=O)N(C)C)cc32,,IUHMWLMDASQDJQ-ZBFHGGJFSA-N
BMGC_DG04241,BMG_DG102274,C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)CC(C)C)CC(=O)N)CO)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)N)O,,"InChI=1S/C145H240N44O48S2/c1-65(2)45-86(175-139(232)110(70(11)12)183-136(229)99-63-239-238-62-79(148)117(210)178-96(59-191)134(227)174-92(52-104(151)202)131(224)172-90(49-69(9)10)129(222)180-98(61-193)135(228)187-114(74(16)197)142(235)181-99)118(211)158-55-106(204)162-80(25-18-20-40-146)120(213)169-89(48-68(7)8)128(221)179-97(60-192)133(226)167-83(34-37-102(149)200)122(215)165-85(36-39-109(207)208)123(216)171-88(47-67(5)6)127(220)173-91(51-77-54-156-64-161-77)130(223)164-81(26-19-21-41-147)121(214)170-87(46-66(3)4)126(219)166-84(35-38-103(150)201)125(218)186-113(73(15)196)141(234)177-94(50-76-30-32-78(199)33-31-76)143(236)189-44-24-29-101(189)137(230)168-82(27-22-42-157-145(154)155)124(217)185-112(72(14)195)140(233)176-93(53-105(152)203)132(225)184-111(71(13)194)138(231)160-56-107(205)163-95(58-190)119(212)159-57-108(206)182-115(75(17)198)144(237)188-43-23-28-100(188)116(153)209/h30-33,54,64-75,79-101,110-115,190-199H,18-29,34-53,55-63,146-148H2,1-17H3,(H2,149,200)(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,209)(H,156,161)(H,158,211)(H,159,212)(H,160,231)(H,162,204)(H,163,205)(H,164,223)(H,165,215)(H,166,219)(H,167,226)(H,168,230)(H,169,213)(H,170,214)(H,171,216)(H,172,224)(H,173,220)(H,174,227)(H,175,232)(H,176,233)(H,177,234)(H,178,210)(H,179,221)(H,180,222)(H,181,235)(H,182,206)(H,183,229)(H,184,225)(H,185,217)(H,186,218)(H,187,228)(H,207,208)(H4,154,155,157)/t71-,72-,73-,74-,75-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,110+,111+,112+,113+,114+,115+/m1/s1",BBBFJLBPOGFECG-VJVYQDLKSA-N
BMGC_DG04242,BMG_DG102290,CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C,c1ccc2[nH]cc(c(c2c1)=O)C(=O)Nc3c(cc(c(c3)O)C(C)(C)C)C(C)(C)C,"InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)",PURKAOJPTOLRMP-UHFFFAOYSA-N
BMGC_DG04243,BMG_DG102291,CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC(CCO)CCO,n1c(NC(CCO)CCO)nc2n(c(c(cc2c1)Oc3ccc(cc3F)F)=O)C,"InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24)",JYYLVUFNAHSSFE-UHFFFAOYSA-N
BMGC_DG04244,BMG_DG102307,C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O,C1C[C@](NCC1)(C2(CN(C2)C(c3c(c(c(cc3)F)F)Nc4c(cc(cc4)I)F)=O)O)[H],"InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1",BSMCAPRUBJMWDF-KRWDZBQOSA-N
BMGC_DG04245,BMG_DG102314,,,,
BMGC_DG04246,BMG_DG102317,,n1(c(c(c2cc(ccc12)OCc3ccccn3)SC(C)(C)C)CC(C(=O)O)(C)C)Cc4ccc(cc4)-c5cnc(cc5)OC,,DGCSBHYGDCRAOB-UHFFFAOYSA-N
BMGC_DG04247,BMG_DG102319,CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)C4CCCNC4,,"InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3",GMIZZEXBPRLVIV-UHFFFAOYSA-N
BMGC_DG04248,BMG_DG102345,,N12C(=O)[C@H]([C@]1(SCC(=C2C(O)=O)CO)[H])NC(=O)CSc3ccncc3,,IOFHZPVEQXTSQW-BXUZGUMPSA-N
BMGC_DG04249,BMG_DG102346,CCN(CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)CCO,c12c(c(=O)n(c(n1C)=O)C)n(CCN(CCO)CC)c(n2)Cc3ccccc3,"InChI=1S/C20H27N5O3/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2/h5-9,26H,4,10-14H2,1-3H3",VVUYEFBRTFASAH-UHFFFAOYSA-N
BMGC_DG04250,BMG_DG102350,C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.Cl,c1(nc(Cl)c(nc1N)N)C(NC(=N)N)=O.Cl,"InChI=1S/C6H8ClN7O.ClH/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;/h(H4,8,9,13)(H4,10,11,14,15);1H",ACHKKGDWZVCSNH-UHFFFAOYSA-N
BMGC_DG04251,BMG_DG102355,C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N,c1(nc(Cl)c(nc1N)N)C(NC(=N)N)=O,"InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)",XSDQTOBWRPYKKA-UHFFFAOYSA-N
BMGC_DG04252,BMG_DG102372,[CH3-].CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)C(=C7[C@@]([C@@H](C(=N7)C=C8C([C@@H](C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3],,"InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;-1;+3/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",ZFLASALABLFSNM-WYVZQNDMSA-L
BMGC_DG04253,BMG_DG102377,CC(C)C[C@H](COC)N=C1N/C(=C\C2=CC3=C(C=C2)N=CS3)/C(=O)N1,N(C1=N/C(=C\c2cc3scnc3cc2)/C(N1)=O)[C@H](CC(C)C)COC,"InChI=1S/C18H22N4O2S/c1-11(2)6-13(9-24-3)20-18-21-15(17(23)22-18)7-12-4-5-14-16(8-12)25-10-19-14/h4-5,7-8,10-11,13H,6,9H2,1-3H3,(H2,20,21,22,23)/b15-7-/t13-/m1/s1",CHQYAWLKOUOTQO-QVYJARAXSA-N
BMGC_DG04254,BMG_DG102379,,[C@@H]1([C@@H]([C@H]([C@@](O[C@@H]1CO)(c2c(O)cc3c(c(=O)cc(o3)-c4ccc(cc4)O)c2O)[H])O)O)O,,MYXNWGACZJSMBT-VJXVFPJBSA-N
BMGC_DG04255,BMG_DG102387,C1CCC2(CC1)C(=O)NNC3=CC4=CN=C(N=C4N23)NC5=CC=C(C=C5)S(=O)(=O)N,O=C1C2(n3c4c(cc3NN1)cnc(Nc5ccc(S(N)(=O)=O)cc5)n4)CCCCC2,"InChI=1S/C19H21N7O3S/c20-30(28,29)14-6-4-13(5-7-14)22-18-21-11-12-10-15-24-25-17(27)19(8-2-1-3-9-19)26(15)16(12)23-18/h4-7,10-11,24H,1-3,8-9H2,(H,25,27)(H2,20,28,29)(H,21,22,23)",KGJVKYSVVOQPDL-UHFFFAOYSA-N
BMGC_DG04256,BMG_DG102393,,c1(N)ncnc2c1c(-c3ccc(c(F)c3)NC(Nc4noc(c4)C5(CC5)C(F)(F)F)=O)cn2C6CC6,,MJUUWYZZPRAKCW-UHFFFAOYSA-N
BMGC_DG04257,BMG_DG102481,CNC1=C(C(=NN1[C@H]2C[C@@H](N(C2)C(=O)C=C)COC)C#CC3=C(C=C4C(=C3F)N=CN4C5CC5)F)C(=O)N,c1c2c(c(F)c(C#Cc3nn(c(NC)c3C(=O)N)[C@H]4C[C@@H](N(C4)C(=O)C=C)COC)c1F)ncn2C5CC5,"InChI=1S/C26H27F2N7O3/c1-4-21(36)33-11-15(9-16(33)12-38-3)35-26(30-2)22(25(29)37)19(32-35)8-7-17-18(27)10-20-24(23(17)28)31-13-34(20)14-5-6-14/h4,10,13-16,30H,1,5-6,9,11-12H2,2-3H3,(H2,29,37)/t15-,16+/m0/s1",YXVDEILMUVTDMK-JKSUJKDBSA-N
BMGC_DG04258,BMG_DG102584,,c1(C(N2CCOCC2)=S)ccccc1,,AEKJTLISCSMKLR-UHFFFAOYSA-N
BMGC_DG04259,BMG_DG102592,,c1(c(cc(cc1)OC)C)Nc2ccccc2,,CYMPUOGZUXAIMY-UHFFFAOYSA-N
BMGC_DG04260,BMG_DG102608,,,,
BMGC_DG04261,BMG_DG102612,C1CC12COC3=C(C=C(C=N3)F)[C@H]4COCCN4C5=NC6=C(C=NN6C=C5)C(=O)N2,,"InChI=1S/C20H19FN6O3/c21-12-7-13-15-10-29-6-5-26(15)16-1-4-27-17(24-16)14(9-23-27)18(28)25-20(2-3-20)11-30-19(13)22-8-12/h1,4,7-9,15H,2-3,5-6,10-11H2,(H,25,28)/t15-/m1/s1",UMZFBMAHLWQSBF-OAHLLOKOSA-N
BMGC_DG04262,BMG_DG102634,CN1C=C2C=C(C(=CC2=N1)Cl)NC3=NC(=O)N(C(=O)N3CC4=CC(=C(C=C4F)F)F)CC5=NN(C=N5)C,c1c(F)c(cc(c1F)F)Cn\2c(=O)n(Cc3nn(C)cn3)c(=O)[nH]/c2=N\c4cc5c(cc4Cl)nn(C)c5,"InChI=1S/C22H17ClF3N9O2/c1-32-7-12-4-18(13(23)5-17(12)30-32)28-20-29-21(36)35(9-19-27-10-33(2)31-19)22(37)34(20)8-11-3-15(25)16(26)6-14(11)24/h3-7,10H,8-9H2,1-2H3,(H,28,29,36)",QMPBBNUOBOFBFS-UHFFFAOYSA-N
BMGC_DG04263,BMG_DG102645,,c1cc2nc(sc2cc1)SCCCS(=O)(=O)O,,XBNHRNFODJOFRU-UHFFFAOYSA-N
BMGC_DG04264,BMG_DG102653,,c1(ccccc1)CCCN,,LYUQWQRTDLVQGA-UHFFFAOYSA-N
BMGC_DG04265,BMG_DG102779,CCOC(=O)[C@@H](CC1=CN(C2=CC=CC=C21)C)NC(=O)[C@H](CC(C)C)N.Cl,Cl.C([C@@H](Cc1cn(c2ccccc12)C)NC([C@H](CC(C)C)N)=O)(=O)OCC,"InChI=1S/C20H29N3O3.ClH/c1-5-26-20(25)17(22-19(24)16(21)10-13(2)3)11-14-12-23(4)18-9-7-6-8-15(14)18;/h6-9,12-13,16-17H,5,10-11,21H2,1-4H3,(H,22,24);1H/t16-,17+;/m0./s1",PXFDVONNVFXYEP-MCJVGQIASA-N
BMGC_DG04266,BMG_DG102895,C1=CC2=C(C=C1O)NC(=N2)N,,"InChI=1S/C7H7N3O/c8-7-9-5-2-1-4(11)3-6(5)10-7/h1-3,11H,(H3,8,9,10)",FNSYWIPPPFVBAV-UHFFFAOYSA-N
BMGC_DG04267,BMG_DG102896,[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[Na+].[Na+],[Na+].[O-]C(=O)[C@@H]([C@H](C([O-])=O)O)O.[Na+],"InChI=1S/C4H6O6.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2/t1-,2-;;/m1../s1",HELHAJAZNSDZJO-OLXYHTOASA-L
BMGC_DG04268,BMG_DG102929,C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H]([C@@H](C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N5CCC6=C(C5)C=CC(=C6)CN7C8=NC=NC(=C8C(=N7)C9=CC1=C(C=C9)OC(=N1)N)N)O)C)/C)O)OC)C)C)/C)OC,[H][C@@]12C(=O)O[C@]([H])([C@@H](C[C@H]3C[C@@H](OC)[C@H](OC(NCCOCCOCCOCCOCCOCCOCCOCCOCCC(N4CCc5cc(Cn6c7ncnc(c7c(n6)-c8ccc9c(c8)nc(o9)N)N)ccc5C4)=O)=O)CC3)C)C[C@@H](O)[C@H](C)/C=C(\C)/[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)/[C@@H](OC)C[C@]%10([H])CC[C@@H](C)[C@](O%10)(O)C(=O)C(=O)N2CCCC1,"InChI=1S/C93H136N10O24/c1-59-16-12-11-13-17-60(2)77(113-8)54-71-24-19-65(7)93(112,127-71)86(108)89(109)102-30-15-14-18-73(102)90(110)124-78(55-74(104)61(3)49-64(6)84(107)85(115-10)83(106)63(5)48-59)62(4)50-66-21-25-76(79(52-66)114-9)126-92(111)96-29-33-117-35-37-119-39-41-121-43-45-123-47-46-122-44-42-120-40-38-118-36-34-116-32-28-80(105)101-31-27-68-51-67(20-22-70(68)57-101)56-103-88-81(87(94)97-58-98-88)82(100-103)69-23-26-75-72(53-69)99-91(95)125-75/h11-13,16-17,20,22-23,26,49,51,53,58-59,61-63,65-66,71,73-74,76-79,84-85,104,107,112H,14-15,18-19,21,24-25,27-48,50,52,54-57H2,1-10H3,(H2,95,99)(H,96,111)(H2,94,97,98)/b13-11+,16-12+,60-17+,64-49+/t59-,61-,62-,63-,65-,66+,71+,73+,74-,76-,77+,78+,79-,84-,85+,93-/m1/s1",IUTYTXDIGUNPAA-GKVGALOGSA-N
BMGC_DG04269,BMG_DG102943,,Fc1c(CCN2CCC3(O[C@H](C(=O)N(C3)CC)C)CC2)cc(F)cc1,,KALIKXMQWFLZKB-AWEZNQCLSA-N
BMGC_DG04270,BMG_DG102948,,Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1,,NYLACAAEFWBUQQ-UHFFFAOYSA-N
BMGC_DG04271,BMG_DG103018,,,,
BMGC_DG04272,BMG_DG103036,,,,
BMGC_DG04273,BMG_DG103100,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CS)O)C)O,C[C@@]12[C@]([H])([C@]3([H])CCC4=CC(CC[C@]4(C)[C@]3([C@@H](O)C1)[H])=O)CC[C@]2(O)C(=O)CS,"InChI=1S/C21H30O4S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-26)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",YWDBSCORAARPPF-VWUMJDOOSA-N
BMGC_DG04274,BMG_DG103109,C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN)C3=CC=C(C=C3)F,C1(c2c(cc(C#N)cc2)CO1)(c3ccc(cc3)F)CCCN,"InChI=1S/C18H17FN2O/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18/h2-7,10H,1,8-9,12,20H2",RKUKMUWCRLRPEJ-UHFFFAOYSA-N
BMGC_DG04275,BMG_DG103155,CN1C[C@H]2[C@H](C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24,c12[C@@]3([C@@](c4cc(Cl)ccc4Oc1cccc2)(CN(C3)C)[H])[H],"InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m1/s1",VSWBSWWIRNCQIJ-HUUCEWRRSA-N
BMGC_DG04276,BMG_DG103167,,c12c(cc(Cl)c(c1)Cl)cccc2,,SKGXUFZRYNGFJS-UHFFFAOYSA-N
BMGC_DG04277,BMG_DG103384,C1=CC=C(C=C1)C2=CC=C(C=C2)Cl,c1(-c2ccccc2)ccc(Cl)cc1,InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,FPWNLURCHDRMHC-UHFFFAOYSA-N
BMGC_DG04278,BMG_DG103410,CC(CCCC(C)(C)O)[C@H]1CC[C@@H]\2C1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3=C)O)O)C,,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11?/t18?,22-,23-,24+,25+,27?/m1/s1",GMRQFYUYWCNGIN-DVBBHQTJSA-N
BMGC_DG04279,BMG_DG103419,CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N7CCC[C@H]7C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC9=CC=CC=C9)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC1=CC=C(C=C1)O)N,,"InChI=1S/C225H348N48O68/c1-23-126(10)183(264-198(311)146(64-50-52-88-226)246-202(315)157(109-180(297)298)252-199(312)152(103-124(6)7)261-223(337)225(21,22)269-217(330)185(128(12)25-3)266-209(322)163(120-278)257-200(313)153(107-138-74-78-141(282)79-75-138)250-203(316)158(110-181(299)300)253-207(320)162(119-277)259-216(329)187(134(18)280)267-206(319)155(106-136-60-44-41-45-61-136)254-215(328)186(133(17)279)262-174(289)114-237-193(306)147(83-87-179(295)296)260-222(336)224(19,20)268-192(305)143(227)104-137-72-76-140(281)77-73-137)214(327)242-131(15)190(303)244-148(80-84-168(228)283)196(309)245-145(65-51-53-89-231-175(290)121-340-100-99-339-97-91-233-176(291)122-341-101-98-338-96-90-232-170(285)86-82-150(221(334)335)243-171(286)70-46-38-36-34-32-30-28-26-27-29-31-33-35-37-39-47-71-178(293)294)195(308)240-130(14)191(304)248-154(105-135-58-42-40-43-59-135)205(318)263-182(125(8)9)212(325)247-149(81-85-169(229)284)197(310)251-156(108-139-111-234-144-63-49-48-62-142(139)144)201(314)249-151(102-123(4)5)204(317)265-184(127(11)24-2)213(326)241-129(13)189(302)236-112-172(287)235-115-177(292)270-92-54-66-164(270)210(323)258-161(118-276)208(321)256-160(117-275)194(307)238-113-173(288)239-132(16)218(331)272-94-56-68-166(272)220(333)273-95-57-69-167(273)219(332)271-93-55-67-165(271)211(324)255-159(116-274)188(230)301/h40-45,48-49,58-63,72-79,111,123-134,143,145-167,182-187,234,274-282H,23-39,46-47,50-57,64-71,80-110,112-122,226-227H2,1-22H3,(H2,228,283)(H2,229,284)(H2,230,301)(H,231,290)(H,232,285)(H,233,291)(H,235,287)(H,236,302)(H,237,306)(H,238,307)(H,239,288)(H,240,308)(H,241,326)(H,242,327)(H,243,286)(H,244,303)(H,245,309)(H,246,315)(H,247,325)(H,248,304)(H,249,314)(H,250,316)(H,251,310)(H,252,312)(H,253,320)(H,254,328)(H,255,324)(H,256,321)(H,257,313)(H,258,323)(H,259,329)(H,260,336)(H,261,337)(H,262,289)(H,263,318)(H,264,311)(H,265,317)(H,266,322)(H,267,319)(H,268,305)(H,269,330)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,334,335)/t126-,127-,128-,129-,130-,131-,132-,133+,134+,143-,145-,146-,147-,148-,149-,150+,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,182-,183-,184-,185-,186-,187-/m0/s1",BTSOGEDATSQOAF-SMAAHMJQSA-N
BMGC_DG04280,BMG_DG103430,CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)C2=CC(=CC=C2)[N-]S(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)[O-])CCC4=CC=CC=C4.[Na+].[Na+],c1([N-]S(c2ccc(cn2)C(F)(F)F)(=O)=O)cccc(c1)[C@H](C3=C([O-])C[C@](OC3=O)(CCc4ccccc4)CCC)CC.[Na+].[Na+],"InChI=1S/C31H32F3N2O5S.2Na/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34;;/h5-14,18,20,25H,3-4,15-17,19H2,1-2H3,(H,37,38);;/q-1;2*+1/p-1/t25-,30-;;/m1../s1",ZBWMQTUSVWBMQE-KPHXKKTMSA-M
BMGC_DG04281,BMG_DG103434,,Cc1n2-c3c(c4c(s3)C[C@@H](C(=O)N5C[C@H](C)O[C@@H](C)C5)C4)[C@@H](NCc2nn1)c6c(Cl)cccc6,,YRHFRCNVCJJLCD-RQRNNKEXSA-N
BMGC_DG04282,BMG_DG103435,,,,
BMGC_DG04283,BMG_DG103440,C[C@@H]1C[C@](CCN1CC2=C(C(=CC=C2)Cl)F)(CC3=NC(=C(C(=C3)C)F)NC4=NNC(=C4)C)C(=O)O,,"InChI=1S/C25H28ClF2N5O2/c1-14-9-18(29-23(21(14)27)30-20-10-15(2)31-32-20)12-25(24(34)35)7-8-33(16(3)11-25)13-17-5-4-6-19(26)22(17)28/h4-6,9-10,16H,7-8,11-13H2,1-3H3,(H,34,35)(H2,29,30,31,32)/t16-,25-/m1/s1",CEONSWRDFKMFNM-PUAOIOHZSA-N
BMGC_DG04284,BMG_DG103560,,O=C(CC[C@@H](C(=O)N[C@H](C(N[C@@H](CCN)C(=O)N[C@H](C(=O)N([C@@H](CCC(=O)O)C(=O)N1[C@@H](CCC1)CC(=O)N)C)CC(C)C)=O)CC(=O)O)NC(CCCCNC(=O)c2ccc(Oc3ccc(cc3)C(=O)N)cc2)=O)O,,FVDPKGPPYGTKTO-DLXWRWKMSA-N
BMGC_DG04285,BMG_DG103573,CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl,C1(=Nc2c(cccc2)Sc3c1cc(cc3)Cl)N4CCN(CC4)C,"InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3",KAAZGXDPUNNEFN-UHFFFAOYSA-N
BMGC_DG04286,BMG_DG103580,,c12c(cccc1)c(ccc2)S(N)(=O)=O,,ZFIFHAKCBWOSRN-UHFFFAOYSA-N
BMGC_DG04287,BMG_DG103582,,c12c(N(C)C(C1=O)=O)cccc2,,VCYBVWFTGAZHGH-UHFFFAOYSA-N
BMGC_DG04288,BMG_DG103589,C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F,c1(n(c2ccccc2[nH]1)C3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F)=O,"InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)",YVUQSNJEYSNKRX-UHFFFAOYSA-N
BMGC_DG04289,BMG_DG103590,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C,,"InChI=1S/C37H59N7O20/c1-13(30(51)44-20(35(58)59)9-10-23(48)43-19(8-6-7-18(38)34(56)57)32(53)40-14(2)33(54)55)39-31(52)15(3)61-29-25(42-17(5)47)36-60-12-22(63-36)28(29)64-37-24(41-16(4)46)27(50)26(49)21(11-45)62-37/h13-15,18-22,24-29,36-37,45,49-50H,6-12,38H2,1-5H3,(H,39,52)(H,40,53)(H,41,46)(H,42,47)(H,43,48)(H,44,51)(H,54,55)(H,56,57)(H,58,59)/t13-,14+,15+,18+,19-,20+,21+,22+,24+,25+,26+,27+,28+,29+,36+,37-/m0/s1",UPFMKPIBAIPLHT-RSJSDIDPSA-N
BMGC_DG04290,BMG_DG103591,C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F,c1(n(c2ccccc2[nH]1)C3CCN(CC3)CCCC(c4ccc(cc4)F)=O)=O,"InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)",FEBOTPHFXYHVPL-UHFFFAOYSA-N
BMGC_DG04291,BMG_DG103594,C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H]([C@H]2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O,c12C([C@H]([C@@]([C@@H](C([C@H]([C@H](O)C)O)=O)OC)([H])Cc1cc3c(c2O)c(c(C)c(c3)O[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)O[C@@]5(O[C@@H]([C@@H](O)[C@@H](C5)O)C)[H])C)O)O[C@@]6(O[C@@H]([C@@H](O)[C@@H](C6)O[C@@]7(O[C@@H]([C@H](O)[C@@H](C7)O[C@]8(C[C@@](O)(C)[C@@H]([C@H](O8)C)O)[H])C)[H])C)[H])=O,"InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1",CFCUWKMKBJTWLW-BKHRDMLASA-N
BMGC_DG04292,BMG_DG103623,CC(C)C[C@@H](C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)N)NC(=O)CN(C)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)N,,"InChI=1S/C64H100N18O15S/c1-38(2)34-46(57(89)74-42(54(69)86)28-33-98(4,96)97)73-53(85)37-80(3)62(94)48(36-40-18-9-6-10-19-40)79-58(90)47(35-39-16-7-5-8-17-39)78-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-59(91)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-60(92)49-22-14-31-81(49)61(93)41(66)20-13-30-72-64(70)71/h5-10,16-19,38,41-50H,11-15,20-37,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,85)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,88)(H,79,90)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1",OUPXSLGGCPUZJJ-SARDKLJWSA-N
BMGC_DG04293,BMG_DG103627,,c12-c(nn(c1=O)-c3ccc(cc3)OC)c4CCCCCc4[nH]c2,,XRUUVUYJUULCBQ-UHFFFAOYSA-N
BMGC_DG04294,BMG_DG103640,COC1=C(C=CC(=C1)OC[C@@H]2CNCC[C@H]2C3=CC=C(C=C3)F)O,c1(cc(OC[C@H]2[C@H](c3ccc(cc3)F)CCNC2)ccc1O)OC,"InChI=1S/C19H22FNO3/c1-23-19-10-16(6-7-18(19)22)24-12-14-11-21-9-8-17(14)13-2-4-15(20)5-3-13/h2-7,10,14,17,21-22H,8-9,11-12H2,1H3/t14-,17-/m0/s1",DTXXMQRFTUCBHG-YOEHRIQHSA-N
BMGC_DG04295,BMG_DG103642,,,,
BMGC_DG04296,BMG_DG103648,C1=NNC(=N1)N,n1c(n[nH]c1)N,"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",KLSJWNVTNUYHDU-UHFFFAOYSA-N
BMGC_DG04297,BMG_DG103650,C(CC(=O)N[C@@H](CSC(=O)CCl)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,,"InChI=1S/C12H18ClN3O7S/c13-3-10(20)24-5-7(11(21)15-4-9(18)19)16-8(17)2-1-6(14)12(22)23/h6-7H,1-5,14H2,(H,15,21)(H,16,17)(H,18,19)(H,22,23)/t6-,7-/m0/s1",QJDRMMRBPVHMAD-BQBZGAKWSA-N
BMGC_DG04298,BMG_DG103675,CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)C(C)C)CCCN=C(N)N)C(C)CC)C(C)C)C(C)C,,"InChI=1S/C63H118N24O13S2/c1-13-34(11)46-57(97)78-38(21-17-25-75-62(69)70)49(89)83-43(31(5)6)54(94)82-42(53(93)79-39(59(99)100)22-18-26-76-63(71)72)29-102-101-28-41(81-51(91)40(27-30(3)4)80-48(88)36(64)19-15-23-73-60(65)66)52(92)77-37(20-16-24-74-61(67)68)50(90)86-47(35(12)14-2)58(98)85-44(32(7)8)55(95)84-45(33(9)10)56(96)87-46/h30-47H,13-29,64H2,1-12H3,(H,77,92)(H,78,97)(H,79,93)(H,80,88)(H,81,91)(H,82,94)(H,83,89)(H,84,95)(H,85,98)(H,86,90)(H,87,96)(H,99,100)(H4,65,66,73)(H4,67,68,74)(H4,69,70,75)(H4,71,72,76)",RHISNKCGUDDGEG-UHFFFAOYSA-N
BMGC_DG04299,BMG_DG103686,C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O,C=C1C[C@@]23CC[C@@]4([C@@](CCC[C@]4([C@]2([H])CC[C@@]1(C3)O[C@H]5[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@H](O6)CO)[C@@H](O)[C@H](O)[C@H](O5)CO)C)(C(=O)O)C)[H],"InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1",OMHUCGDTACNQEX-OSHKXICASA-N
BMGC_DG04300,BMG_DG103689,C(CCCN)CCN,C(CCCN)CCN,InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2,NAQMVNRVTILPCV-UHFFFAOYSA-N
BMGC_DG04301,BMG_DG103698,CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)[N+](C)(C)CCO,S1c2c(N(c3c1cccc3)CC(C)[N+](C)(CCO)C)cccc2,"InChI=1S/C19H25N2OS/c1-15(21(2,3)12-13-22)14-20-16-8-4-6-10-18(16)23-19-11-7-5-9-17(19)20/h4-11,15,22H,12-14H2,1-3H3/q+1",PDSVTRQOBUIQBQ-UHFFFAOYSA-N
BMGC_DG04302,BMG_DG103706,,c1(c(cc2c(cc(nc2c1)N3CCc4c(C3)cc(c(c4)OC)OC)N)OC)OC,,ANZIISNSHPKVRV-UHFFFAOYSA-N
BMGC_DG04303,BMG_DG103737,,CC(C)=CCc1c([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc4c(c1O)OC(C)(C)C=C4,,WPVMLODCRMLWMB-HXUWFJFHSA-N
BMGC_DG04304,BMG_DG103777,C[C@@H]1CC2=CC3=C(C=C2C(=NN1C(=O)C)C4=CC=C(C=C4)N)OCO3,N=1N(C(=O)C)[C@@H](Cc2c(C1c3ccc(cc3)N)cc4c(OCO4)c2)C,"InChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(21-22(11)12(2)23)13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10,20H2,1-2H3/t11-/m1/s1",JACAAXNEHGBPOQ-LLVKDONJSA-N
BMGC_DG04305,BMG_DG103931,,c1c2nc(NC(c3cccc(C(N)=O)c3)=O)n(c2cc(c1)CN4CCCCC4)CCC,,NPEMHKSMWPZEOV-UHFFFAOYSA-N
BMGC_DG04306,BMG_DG103935,C1CN(CCC1O[C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O,N1(CCC(CC1)O[C@@H](c2ccc(cc2)Cl)c3ncccc3)CCCC(=O)O,"InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m0/s1",YWGDOWXRIALTES-NRFANRHFSA-N
BMGC_DG04307,BMG_DG104015,,c1(Cc2ccncc2)ccccc1,,DBOLXXRVIFGDTI-UHFFFAOYSA-N
BMGC_DG04308,BMG_DG104021,C(CN)CS(=O)(=O)O,S(=O)(=O)(O)CCCN,"InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7)",SNKZJIOFVMKAOJ-UHFFFAOYSA-N
BMGC_DG04309,BMG_DG104032,COC1[C@@H]([C@H](C([C@@H]([C@@H]1O)O)O)O)O,[C@@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)OC)O)O)O;O(C)[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O;[C@H]1([C@H]([C@@H]([C@@H]([C@@H]([C@H]1OC)O)O)O)O)O,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4-,5-,6+,7?/m0/s1",DSCFFEYYQKSRSV-FEPQRWDDSA-N;DSCFFEYYQKSRSV-KLJZZCKASA-N;DSCFFEYYQKSRSV-GESKJZQWSA-N
BMGC_DG04310,BMG_DG104036,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O,O=c1n([C@@H]2O[C@H](COP(OP(=O)(O)O)(=O)O)[C@@H](O)C2)cc(C)c(=O)[nH]1,"InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",UJLXYODCHAELLY-XLPZGREQSA-N
BMGC_DG04311,BMG_DG104055,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)O,C[C@]12CC[C@@H](O)C[C@]1([H])CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@H](O)C)[C@@]4(C)CC[C@@]32[H],"InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15+,16-,17+,18-,19-,20-,21+/m0/s1",YWYQTGBBEZQBGO-CGVINKDUSA-N
BMGC_DG04312,BMG_DG104057,CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C,o1c-2c(c(c1)C)C(C(c3c4CCCC(c4ccc32)(C)C)=O)=O,"InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3",HYXITZLLTYIPOF-UHFFFAOYSA-N
BMGC_DG04313,BMG_DG104058,,NCCc1c[nH]c2ccc(F)cc12,,ZKIORVIXEWIOGB-UHFFFAOYSA-N
BMGC_DG04314,BMG_DG104065,C(CN)C#N,N#CCCN,"InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2",AGSPXMVUFBBBMO-UHFFFAOYSA-N
BMGC_DG04315,BMG_DG104067,,[C@H](N)(COS(O)(=O)=O)C(O)=O,,LFZGUGJDVUUGLK-REOHCLBHSA-N
BMGC_DG04316,BMG_DG104080,C1CCC(CC1)N2CC3=CC(=C(C=C3C2=O)S(=O)(=O)N)Cl,S(c1cc2C(N(C3CCCCC3)Cc2cc1Cl)=O)(=O)(=O)N,"InChI=1S/C14H17ClN2O3S/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)21(16,19)20/h6-7,10H,1-5,8H2,(H2,16,19,20)",VPMWFZKOWULPGT-UHFFFAOYSA-N
BMGC_DG04317,BMG_DG104082,C([C@H]([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)O)OP(=O)(O)O,,"InChI=1S/C7H16O13P2/c8-3(1-19-21(13,14)15)5(10)7(12)6(11)4(9)2-20-22(16,17)18/h3,5-8,10-12H,1-2H2,(H2,13,14,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1",OKHXOUGRECCASI-SHUUEZRQSA-N
BMGC_DG04318,BMG_DG104083,C[C@@H]([C@@H](C1=CC(=C(C=C1)O)O)O)N,c1(cc(O)c(cc1)O)[C@H]([C@@H](N)C)O;c1(cc(c(O)cc1)O)[C@H]([C@@H](N)C)O,"InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9-/m0/s1",GEFQWZLICWMTKF-CDUCUWFYSA-N
BMGC_DG04319,BMG_DG104112,,C(=O)([C@@H](N)CCCCNC)O,,PQNASZJZHFPQLE-LURJTMIESA-N
BMGC_DG04320,BMG_DG104127,C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,,"InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14+,15+,16+,18-,19+,20+,21+/m1/s1",ACSFOIGNUQUIGE-AIPUTVCKSA-N
BMGC_DG04321,BMG_DG104130,C1CN[C@@H]1C(=O)O,[C@H]1(CCN1)C(=O)O,"InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1",IADUEWIQBXOCDZ-VKHMYHEASA-N
BMGC_DG04322,BMG_DG104201,,,,
BMGC_DG04323,BMG_DG104202,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F,[C@]12([C@@]3([C@]([C@@]4(C[C@@H](C)[C@@]([C@]4(C[C@@H]3O)C)(C(=O)CO)O)[H])(C[C@@H](C1=CC(=O)C=C2)F)[H])F)C,"InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1",WXURHACBFYSXBI-GQKYHHCASA-N
BMGC_DG04324,BMG_DG104224,CC(C)N1C=NC(=C1C2=NC=C(N2)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)C)C5=CC=C(C=C5)F,,"InChI=1S/C27H30FN7O/c1-18(2)35-17-30-24(19-4-6-20(28)7-5-19)25(35)26-29-16-23(32-26)27(36)31-21-8-10-22(11-9-21)34-14-12-33(3)13-15-34/h4-11,16-18H,12-15H2,1-3H3,(H,29,32)(H,31,36)",ZVDNXHUSIKGTSF-UHFFFAOYSA-N
BMGC_DG04325,BMG_DG104260,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N,,"InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1",WFPZSXYXPSUOPY-ROYWQJLOSA-N
BMGC_DG04326,BMG_DG104284,,N(c1c2c(cc(OC(F)(F)F)c(P(C)(C)=O)c2)ncc1)c3cc4c(cc3)scn4,,QNHMMDCNZCGMKA-UHFFFAOYSA-N
BMGC_DG04327,BMG_DG104285,CC(C)(COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N(C)C,c1(ccccc1)C(c2ccccc2)(C(OCC(N(C)C)(C)C)=O)O,"InChI=1S/C20H25NO3/c1-19(2,21(3)4)15-24-18(22)20(23,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,23H,15H2,1-4H3",GUONSMXZEYTWML-UHFFFAOYSA-N
BMGC_DG04328,BMG_DG104290,,,,
BMGC_DG04329,BMG_DG104294,,Cc1cn([C@H]2CC[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O,,WVNRRNJFRREKAR-JGVFFNPUSA-N
BMGC_DG04330,BMG_DG104307,,C[C@]12[C@@]([H])([C@H](C)N(C)C)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@@H](N)CC[C@]4(C)[C@@]3([H])CC1,,MJGLREGOLPEPID-GHKGYAFRSA-N
BMGC_DG04331,BMG_DG104313,,COC(c1c(cc(cc1)O)O)=O,,IIFCLXHRIYTHPV-UHFFFAOYSA-N
BMGC_DG04332,BMG_DG104314,,,,
BMGC_DG04333,BMG_DG104321,C(C[C@@H](C(=O)O)N)CN=C(N)N.C(CC(=O)O)[C@@H](C(=O)O)N,C(=N)(NCCC[C@H](N)C(=O)O)N.N[C@@H](CCC(=O)O)C(O)=O,"InChI=1S/C6H14N4O2.C5H9NO4/c7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t4-;3-/m00/s1",RVEWUBJVAHOGKA-WOYAITHZSA-N
BMGC_DG04334,BMG_DG104322,C1=C(NC=N1)C[C@@H](CO)N,,"InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1",ZQISRDCJNBUVMM-YFKPBYRVSA-N
BMGC_DG04335,BMG_DG104329,,C(c1ccc(C(=O)Nc2ccc(C=3NCCN3)cc2)cc1[N+]([O-])=O)(=O)Nc4ccc(C=5NCCN5)cc4,,WQZYYJRVBIQUGH-UHFFFAOYSA-N
BMGC_DG04336,BMG_DG104331,,NS(=O)(=O)c1nnc(-c2ccccc2Cl)s1,,PZVGOWIIHCUHAO-UHFFFAOYSA-N
BMGC_DG04337,BMG_DG104332,CCCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO,[C@]12([C@]([C@@H](C)C[C@]1([C@@]3(CCC=4[C@@]([C@]3([C@H](C2)O)F)(C=CC(=O)C4)C)[H])[H])(C(=O)CO)OC(=O)CCCC)C,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1",SNHRLVCMMWUAJD-SUYDQAKGSA-N
BMGC_DG04338,BMG_DG104333,C([C@@H](C(=O)O)N)SS,N[C@@H](CSS)C(O)=O,"InChI=1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1",XBKONSCREBSMCS-REOHCLBHSA-N
BMGC_DG04339,BMG_DG104335,CC(C)C(=O)[O-],,"InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/p-1",KQNPFQTWMSNSAP-UHFFFAOYSA-M
BMGC_DG04340,BMG_DG104336,,C([C@@H](N)CSO)(=O)O,,FXIRVRPOOYSARH-REOHCLBHSA-N
BMGC_DG04341,BMG_DG104338,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3C([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52?,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",FDJOLVPMNUYSCM-SYUKHSAKSA-L
BMGC_DG04342,BMG_DG104558,CC(=C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O,O[C@H]1[C@H](n2c3c(nc2)c(N)ncn3)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(C(C)=C)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O,"InChI=1S/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1",NPALUEYCDZWBOV-NDZSKPAWSA-N
BMGC_DG04343,BMG_DG104882,C[C@H]1C[C@H](CCO1)N2C(=O)C[C@@](N=C2N)(C)C3=C(C(=CC=C3)NC(=O)C4=CC=CC(=C4)C#N)Cl,,"InChI=1S/C25H26ClN5O3/c1-15-11-18(9-10-34-15)31-21(32)13-25(2,30-24(31)28)19-7-4-8-20(22(19)26)29-23(33)17-6-3-5-16(12-17)14-27/h3-8,12,15,18H,9-11,13H2,1-2H3,(H2,28,30)(H,29,33)/t15-,18-,25-/m0/s1",AWSRDDSRQUJMAJ-LCAJTWGOSA-N
BMGC_DG04344,BMG_DG104928,CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O,,"InChI=1S/C26H44N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,36-37H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1",UYVZIWWBJMYRCD-ZMHDXICWSA-N
BMGC_DG04345,BMG_DG104930,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O,,"InChI=1S/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/t22-,26-,27-,28+,32-/m1/s1",YMCXGHLSVALICC-GMHMEAMDSA-N
BMGC_DG04346,BMG_DG104943,C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)O,,"InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1",SENPVEZBRZQVST-HISDBWNOSA-O
BMGC_DG04347,BMG_DG104946,C1C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)O,O1C(CC(=O)c2c1cccc2)c3ccc(O)cc3,"InChI=1S/C15H12O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15-16H,9H2",ZLHVIYHWWQYJID-UHFFFAOYSA-N
BMGC_DG04348,BMG_DG104948,C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,,"InChI=1S/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17-18,20-24,28H,5-7,9-16H2,1-4H3,(H,29,30)/t17-,18?,20+,21+,22-,23+,24+,26+,27-/m1/s1",WVXOMPRLWLXFAP-AMQKJUDNSA-N
BMGC_DG04349,BMG_DG104950,,c1(cc(c2c(o1)cccc2O)=O)-c3ccc(cc3)O,,OKRNDQLCMXUCGG-UHFFFAOYSA-N
BMGC_DG04350,BMG_DG104972,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N.[O-]S(=O)(=O)[O-],,"InChI=1S/C23H45N5O14.H2O4S/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22;1-5(2,3)4/h5-23,29-36H,1-4,24-28H2;(H2,1,2,3,4)/p-2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;/m1./s1",LJRDOKAZOAKLDU-UDXJMMFXSA-L
BMGC_DG04351,BMG_DG104973,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N,[C@@H]1([C@](O[C@@H]2[C@@H]([C@@H](O)[C@@H]([C@H](O2)CO)O)N)([C@@H](N)C[C@H]([C@@H]1O)N)[H])O[C@]3([C@@H]([C@H](O[C@@]4([C@@H]([C@@H](O)[C@@H]([C@@H](O4)CN)O)N)[H])[C@H](O3)CO)O)[H],"InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",UOZODPSAJZTQNH-LSWIJEOBSA-N
BMGC_DG04352,BMG_DG104978,C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C,,"InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,20,22-23,25-26,30H,8,10-18H2,1-7H3/t20-,22-,23+,25+,26+,28-,29-/m1/s1",CHGIKSSZNBCNDW-QGBOJXOESA-N
BMGC_DG04353,BMG_DG104987,C1C(OC2=CC=CC=C2O1)CN=C(N)N,O1c2c(cccc2)OCC1CNC(=N)N,"InChI=1S/C10H13N3O2/c11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7/h1-4,7H,5-6H2,(H4,11,12,13)",HIUVKVDQFXDZHU-UHFFFAOYSA-N
BMGC_DG04354,BMG_DG104999,CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)CCCCCC)C,[C@]12([C@]([C@]3([C@](c4c(cc(OC(=O)CCCCCC)cc4)CC3)([H])CC1)[H])(CC[C@@H]2OC(=O)CCCCCC)[H])C,"InChI=1S/C32H48O4/c1-4-6-8-10-12-30(33)35-24-15-17-25-23(22-24)14-16-27-26(25)20-21-32(3)28(27)18-19-29(32)36-31(34)13-11-9-7-5-2/h15,17,22,26-29H,4-14,16,18-21H2,1-3H3/t26-,27-,28+,29+,32+/m1/s1",OVAHZPTYWMWNKO-CAHAWPIUSA-N
BMGC_DG04355,BMG_DG105012,,c-12c3[C@](Cc4c1cc(OC)c(c4)O)(N(CCc3cc(c2OC)OC)C)[H],,ZFLRVRLYWHNAEC-AWEZNQCLSA-N
BMGC_DG04356,BMG_DG105045,,Oc1c(cc(cc1)[N+](=O)[O-])OS(=O)(=O)O,,XMCCOOONGGUOLA-UHFFFAOYSA-N
BMGC_DG04357,BMG_DG105175,,C([C@@H](c1c2c(c(O)cc1)[nH]c(=O)cc2)O)NCCCCO,,LAXUZKBMSNSUBP-ZDUSSCGKSA-N
BMGC_DG04358,BMG_DG105248,CC(CC(=O)O)(CC(=O)O)O,C(CC(=O)O)(CC(=O)O)(O)C,"InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)",NPOAOTPXWNWTSH-UHFFFAOYSA-N
BMGC_DG04359,BMG_DG105252,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC(=O)O)O)C)O,[C@@]12([C@@](C(COC(=O)CCC(=O)O)=O)(CC[C@]2([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)[H])(CCC(=O)C4)C)[H])[H])O)C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",VWQWXZAWFPZJDA-CGVGKPPMSA-N
BMGC_DG04360,BMG_DG105260,C1C(OC(=N1)N)C2=CC=CC=C2,C1(=NCC(O1)c2ccccc2)N,"InChI=1S/C9H10N2O/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)",SYAKTDIEAPMBAL-UHFFFAOYSA-N
BMGC_DG04361,BMG_DG105280,CCCCC1C(=O)NN(C1=O)C2=CC=CC=C2,N1(C(C(CCCC)C(N1)=O)=O)c2ccccc2,"InChI=1S/C13H16N2O2/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,14,16)",REOJLIXKJWXUGB-UHFFFAOYSA-N
BMGC_DG04362,BMG_DG105408,CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC=C(C=C7)O)O)O)[C@@H](C)O)C)O)O)O,N12[C@](C(N[C@@H]([C@@H](C[C@@H](C(N[C@]([C@H](O)C)([H])C(N3[C@](C(N[C@](C(N[C@](C1=O)([C@H](O)C)[H])=O)([C@@H]([C@H](c4ccc(cc4)O)O)O)[H])=O)(C[C@@H](O)C3)[H])=O)=O)NC(c5ccc(-c6ccc(cc6)-c7ccc(cc7)OCCCCC)cc5)=O)O)O)=O)([C@@H](O)[C@H](C2)C)[H],"InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1",JHVAMHSQVVQIOT-MFAJLEFUSA-N
BMGC_DG04363,BMG_DG105414,C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4,c1c(c(cnc1N)-c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F,"InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)",CWHUFRVAEUJCEF-UHFFFAOYSA-N
BMGC_DG04364,BMG_DG105415,,C(c1cc(ccc1)NCc2nc(c([nH]2)-c3cccc(n3)C)-c4cc5nccnc5cc4)#N,,SVFWZNDJPVECNU-UHFFFAOYSA-N
BMGC_DG04365,BMG_DG105417,,c1(cc2c(OC[C@@]3(C2=NO[C@H]3CN4CCN(CC4)C/C(/C)=C/c5ccc(cc5)F)[H])cc1OC)OC,,UCNOTTVNPRSTFW-XSFNXXSESA-N
BMGC_DG04366,BMG_DG105424,CC(C)C1=C(C(=CC=C1)C(C)C)OS(=O)(=O)NC(=O)CC2=C(C=C(C=C2C(C)C)C(C)C)C(C)C,S(NC(Cc1c(cc(cc1C(C)C)C(C)C)C(C)C)=O)(Oc2c(C(C)C)cccc2C(C)C)(=O)=O,"InChI=1S/C29H43NO4S/c1-17(2)22-14-25(20(7)8)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)",PTQXTEKSNBVPQJ-UHFFFAOYSA-N
BMGC_DG04367,BMG_DG105425,,c1(C(c2ccc(cc2)F)O)c(ccc(Oc3c(cc(NC(C(=O)OCC)=O)cc3C)C)c1)O,,FUBBWDWIGBTUPQ-UHFFFAOYSA-N
BMGC_DG04368,BMG_DG105431,CN1[C@@H]2CCC3=C([C@H]2CCC1=O)C=CC(=C3)Cl,N1([C@]2([C@](c3ccc(cc3CC2)Cl)([H])CCC1=O)[H])C,"InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13-/m1/s1",WQBIOEFDDDEARX-CHWSQXEVSA-N
BMGC_DG04369,BMG_DG105432,,C(O)(=O)[C@H]1N(c2c3c(c4c(o3)cccc4)nc(C(F)(F)F)n2)C[C@@H](Oc5c(cc(C#C)cn5)N6[C@@H](C)C7(COC7)OCC6)C1,,HOJHRGAVECZQBM-MDKPJZGXSA-N
BMGC_DG04370,BMG_DG105436,,c1ccc(CO)cc1SCC(O[C@H]2[C@]3([C@]4([C@@]([C@@H](C)[C@H](O)[C@@](C2)(C=C)C)(CC[C@H]3C)CCC4=O)[H])C)=O,,KELRBTWVTDHIHS-KGTFJIFRSA-N
BMGC_DG04371,BMG_DG105438,COC1=C(C(=C(C=C1)F)F)COC2=C(C=C(C(=C2)N3C(=O)C4=C(SC=C4NC3=O)C(=O)O)F)OC,O=c1n(-c2c(F)cc(OC)c(OCc3c(F)c(F)ccc3OC)c2)c(=O)[nH]c4csc(C(=O)O)c41,"InChI=1S/C22H15F3N2O7S/c1-32-14-4-3-10(23)18(25)9(14)7-34-16-6-13(11(24)5-15(16)33-2)27-20(28)17-12(26-22(27)31)8-35-19(17)21(29)30/h3-6,8H,7H2,1-2H3,(H,26,31)(H,29,30)",BMAAMIIYNNPHAB-UHFFFAOYSA-N
BMGC_DG04372,BMG_DG105450,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C,,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/t20-,23+,24-,25+,27-/m1/s1",JWUBBDSIWDLEOM-DLBXBJKMSA-N
BMGC_DG04373,BMG_DG105455,,c1(cc(cc(c1)N(S(=O)(=O)C)C)C(=O)N[C@H](C)c2ccccc2)C(=O)N[C@]([C@H](C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NC(C)C)C)O)(CC(C)C)[H],,BJOCXJJVELLFKM-LLWRDSBASA-N
BMGC_DG04374,BMG_DG105459,,C(#Cc1ccc(cc1)O)c2ccc(cc2)OC,,FXZMAYYBAROYOY-UHFFFAOYSA-N
BMGC_DG04375,BMG_DG105466,C1=CC(=C(C=C1/C=C/C(=O)NCCC2=CNC3=C2C=C(C=C3)O)O)O,N(CCc1c2c([nH]c1)ccc(O)c2)C(=O)/C=C/c3ccc(O)c(O)c3,"InChI=1S/C19H18N2O4/c22-14-3-4-16-15(10-14)13(11-21-16)7-8-20-19(25)6-2-12-1-5-17(23)18(24)9-12/h1-6,9-11,21-24H,7-8H2,(H,20,25)/b6-2+",YXKFALZVRFVXFA-QHHAFSJGSA-N
BMGC_DG04376,BMG_DG105467,CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F,c1(nc(c(cn1)Cl)Nc2n[nH]c(c2)C)N[C@@H](C)c3ncc(cn3)F,"InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1",PDOQBOJDRPLBQU-QMMMGPOBSA-N
BMGC_DG04377,BMG_DG105469,,C(c1ccc(cc1)F)(=O)N(c2scc(n2)-c3ncnc(c3)NC)C,,UTPGRZGMQVAYAA-UHFFFAOYSA-N
BMGC_DG04378,BMG_DG105478,,CCOc1cc2c(cc1)nc(c(c2)C#N)N3CCCN(CC3)C(=S)Nc4ccccc4F,,RQXUPDSAFGWKMO-UHFFFAOYSA-N
BMGC_DG04379,BMG_DG105484,CCN(CC)CCN1CCC2=C(C1=O)C(=C(N2)/C=C\3/C4=C(C=CC(=C4)F)NC3=O)C,C1(c2c(CCN1CCN(CC)CC)[nH]c(c2C)/C=C/3\C(Nc4ccc(cc34)F)=O)=O,"InChI=1S/C23H27FN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13-",GKEYKDOLBLYGRB-LGMDPLHJSA-N
BMGC_DG04380,BMG_DG105502,,c1(cc2sc(-c3cnc(cc3)NC)nc2cc1)O,,FYTAUNFPOYWHBC-UHFFFAOYSA-N
BMGC_DG04381,BMG_DG105590,C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,C1[C@H]([C@@H](C[C@@H](C1)C)O)C(C)C;[C@@H]1([C@@H](CC[C@H](C1)C)C(C)C)O,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1",NOOLISFMXDJSKH-KXUCPTDWSA-N
BMGC_DG04382,BMG_DG105591,,C([C@H](CC(C)(C)F)N[C@H](C(F)(F)F)c1ccc(cc1)-c2ccc(cc2)[C@H](C(F)F)O)(=O)NC3(CC3)C#N,,YTEORGORWDMMRK-HBMCJLEFSA-N
BMGC_DG04383,BMG_DG105597,CC1=CC(=C(N(C1=O)C)NC2=C(C=C(C=C2)I)F)C(=O)NOCCO,c1(c(cc(c(n1C)=O)C)C(=O)NOCCO)Nc2c(cc(cc2)I)F,"InChI=1S/C16H17FIN3O4/c1-9-7-11(15(23)20-25-6-5-22)14(21(2)16(9)24)19-13-4-3-10(18)8-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,23)",RWEVIPRMPFNTLO-UHFFFAOYSA-N
BMGC_DG04384,BMG_DG105608,CCC1=C(C2=NC1=CC3=C(C4=C([C@@H](C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)[C@H]([C@@H]5CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2],[Mg+2].C1(=O)[C@H](C(OC)=O)c2c3nc(cc4[n-]c(cc5nc(cc6[n-]c2c1c6C)C(CC)=C5C)c(C=C)c4C)[C@@H](C)[C@@H]3CCC(OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=O,"InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1",ATNHDLDRLWWWCB-AENOIHSZSA-M
BMGC_DG04385,BMG_DG105610,CCP(CC)CC.CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+],,"InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m1../s1",AUJRCFUBUPVWSZ-XTZHGVARSA-M
BMGC_DG04386,BMG_DG105627,,,,
BMGC_DG04387,BMG_DG105644,,c1(c(c(ccc1)C)O)C(C)(C)C,,BKZXZGWHTRCFPX-UHFFFAOYSA-N
BMGC_DG04388,BMG_DG105648,CC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=CC=C5)C(=O)O,O=C(O)c1cccc(-c2c(C)ccc(NC(C3(c4ccc5OC(F)(F)Oc5c4)CC3)=O)n2)c1,"InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)",UFSKUSARDNFIRC-UHFFFAOYSA-N
BMGC_DG04389,BMG_DG105652,C[C@H](C(=O)N)N(C1=CC=C(C=C1)F)C2=NC(=C(S2)C(=O)C3=CC=C(C=C3)OC)N,,"InChI=1S/C20H19FN4O3S/c1-11(19(23)27)25(14-7-5-13(21)6-8-14)20-24-18(22)17(29-20)16(26)12-3-9-15(28-2)10-4-12/h3-11H,22H2,1-2H3,(H2,23,27)/t11-/m1/s1",HSBUVKDEUUJREZ-LLVKDONJSA-N
BMGC_DG04390,BMG_DG105659,CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCCCC(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N,C1(=O)[C@H](Cc2ccc(OC)cc2)NC(CCCSC[C@H](NC([C@@H](NC([C@@H](NC([C@@H](N1)[C@@H](C)CC)=O)CCC(=O)N)=O)CC(=O)N)=O)C(=O)N3CCC[C@H]3C(N[C@H](C(NCC(=O)N)=O)CC(C)C)=O)=O,"InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1",NSTRIRCPWQHTIA-DTRKZRJBSA-N
BMGC_DG04391,BMG_DG105664,CCOC(=O)C(C)(C)OC1=CC(=NC2=C1C=CC(=C2)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N3CCN(CC3)C(=O)OCC,,"InChI=1S/C29H38N4O9/c1-6-40-27(38)29(4,5)42-23-17-22(30-21-16-18(3)8-9-19(21)23)25(36)31-20(10-11-24(34)35)26(37)32-12-14-33(15-13-32)28(39)41-7-2/h8-9,16-17,20H,6-7,10-15H2,1-5H3,(H,31,36)(H,34,35)/t20-/m0/s1",PHDMSNZRDFPYNQ-FQEVSTJZSA-N
BMGC_DG04392,BMG_DG105670,C1=CC=C(C=C1)CCC(CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O,,"InChI=1S/C17H24O8/c18-9-12-14(21)15(22)16(23)17(25-12)24-11(8-13(19)20)7-6-10-4-2-1-3-5-10/h1-5,11-12,14-18,21-23H,6-9H2,(H,19,20)",HRYIDVZLDQBLFF-UHFFFAOYSA-N
BMGC_DG04393,BMG_DG105678,C1=CC=C2C(=C1)C(=O)O[Bi]O2.O,,"InChI=1S/C7H6O3.Bi.H2O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+2;/p-2",QBWLKDFBINPHFT-UHFFFAOYSA-L
BMGC_DG04394,BMG_DG105709,C1=CC=C(C=C1)[Hg]O[N+](=O)[O-],,InChI=1S/C6H5.Hg.NO3/c1-2-4-6-5-3-1;;2-1(3)4/h1-5H;;/q;+1;-1,PDTFCHSETJBPTR-UHFFFAOYSA-N
BMGC_DG04395,BMG_DG105740,CCCCCCCCCCCCCCCCCC(=O)O[Al].O.O,,"InChI=1S/C18H36O2.Al.2H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2-17H2,1H3,(H,19,20);;2*1H2/q;+1;;/p-1",OIPZNTLJVJGRCI-UHFFFAOYSA-M
BMGC_DG04396,BMG_DG105742,C1=C(C=C2C(=C1O)O[Bi]O2)C(=O)O.O,,"InChI=1S/C7H6O5.Bi.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;/h1-2,8-10H,(H,11,12);;1H2/q;+2;/p-2",XXCBNHDMGIZPQF-UHFFFAOYSA-L
BMGC_DG04397,BMG_DG105748,C([C@H]([C@@H]1[C@@H]([C@@H](O[Sb](=O)(O1)O[Sb]2(=O)O[C@@H]([C@@H]([C@@H](O2)C(=O)[O-])O)[C@@H](CO)O)C(=O)[O-])O)O)O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+],,"InChI=1S/2C6H10O7.3Na.9H2O.3O.2Sb/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;;;;;;;;;;;/h2*2-5,7-8,10H,1H2,(H,12,13);;;;9*1H2;;;;;/q2*-2;3*+1;;;;;;;;;;;;;2*+2/p-2/t2*2-,3-,4+,5-;;;;;;;;;;;;;;;;;/m11................./s1",CUEDNFKBTFCOSV-UZVLBLASSA-L
BMGC_DG04398,BMG_DG105852,CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+],c1(C([O-])=O)c(S[Hg]CC)cccc1.[Na+],"InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2",RTKIYNMVFMVABJ-UHFFFAOYSA-L
BMGC_DG04399,BMG_DG105862,C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl,c1(Sc2ccc(Cl)cc2)c(cc(Cl)c(c1)Cl)Cl,InChI=1S/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H,QUWSDLYBOVGOCW-UHFFFAOYSA-N
BMGC_DG04400,BMG_DG105873,[CH3-].CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+2],,"InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;-1;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",QXOMMGINPOYKPR-WZHZPDAFSA-L
BMGC_DG04401,BMG_DG105886,COC1=C(C=CC(=C1)CCN)O,COc1cc(ccc1O)CCN,"InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3",DIVQKHQLANKJQO-UHFFFAOYSA-N
BMGC_DG04402,BMG_DG105895,CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)N[C@H](C)C3CCN(CC3)C)C,c1cc(C)c(cc1)C(Nc2c(C)cc(cc2)S(N[C@H](C)C3CCN(CC3)C)(=O)=O)=O,"InChI=1S/C23H31N3O3S/c1-16-7-5-6-8-21(16)23(27)24-22-10-9-20(15-17(22)2)30(28,29)25-18(3)19-11-13-26(4)14-12-19/h5-10,15,18-19,25H,11-14H2,1-4H3,(H,24,27)/t18-/m1/s1",PDAOEKSLYKFTKF-GOSISDBHSA-N
BMGC_DG04403,BMG_DG105956,CCCCCCCCC(=O)C1=CC=C(C=C1)O,,"InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-15(17)13-9-11-14(16)12-10-13/h9-12,16H,2-8H2,1H3",JZBXYOOARNRUME-UHFFFAOYSA-N
BMGC_DG04404,BMG_DG105964,[H+].[H+].C(C(=O)[O-])N.C(C(=O)[O-])N.[O-]S(=O)(=O)[O-].[Fe+2],[Fe+2].O=S([O-])([O-])=O.NCC(O)=O.NCC(O)=O,"InChI=1S/2C2H5NO2.Fe.H2O4S/c2*3-1-2(4)5;;1-5(2,3)4/h2*1,3H2,(H,4,5);;(H2,1,2,3,4)/q;;+2;/p-2",YJYOLOWXCPIBSY-UHFFFAOYSA-L
BMGC_DG04405,BMG_DG105979,CC1(CC2=CN=C(N=C2C3=C1C(=NN3C)C(=O)NC)NC4=CC=C(C=C4)N5CCN(CC5)C)C,N1(C)CCN(c2ccc(Nc3nc-4c(cn3)CC(C)(C)c5c(nn(c45)C)C(NC)=O)cc2)CC1,"InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)",RXZMYLDMFYNEIM-UHFFFAOYSA-N
BMGC_DG04406,BMG_DG105985,CC1=C(C(=O)OC2=C1C=CC(=C2)OC3=NC=CC=N3)CC4=C(C(=NC=C4)NS(=O)(=O)NC)F,c1nc(ncc1)Oc2ccc3c(c(c(oc3c2)=O)Cc4c(c(ncc4)NS(NC)(=O)=O)F)C,"InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27)",LMMJFBMMJUMSJS-UHFFFAOYSA-N
BMGC_DG04407,BMG_DG105989,[131I-],[131I-],InChI=1S/HI/h1H/p-1/i1+4,XMBWDFGMSWQBCA-RNFDNDRNSA-M
BMGC_DG04408,BMG_DG105993,C1CN(C(=O)C(=C1)CCC(=O)NO)CCCC2=CC=CC=C2,,"InChI=1S/C17H22N2O3/c20-16(18-22)11-10-15-9-5-13-19(17(15)21)12-4-8-14-6-2-1-3-7-14/h1-3,6-7,9,22H,4-5,8,10-13H2,(H,18,20)",QVZVOPUKMAJJHD-UHFFFAOYSA-N
BMGC_DG04409,BMG_DG105996,C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N,C1Cc2c([C@H]1Nc3ncnc4c3ccn4[C@H]5C[C@@H]([C@@H](C5)COS(N)(=O)=O)O)cccc2,"InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1",MPUQHZXIXSTTDU-QXGSTGNESA-N
BMGC_DG04410,BMG_DG105998,C[C@@H]1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)[C@](C)(C(F)(F)F)O)C3=C(C=C(C=C3)F)C(F)(F)F,c1cc(cc(c1)S(=O)(=O)N2CCN(C[C@H]2C)c3c(cc(cc3)F)C(F)(F)F)[C@](C)(C(F)(F)F)O,"InChI=1S/C21H21F7N2O3S/c1-13-12-29(18-7-6-15(22)11-17(18)20(23,24)25)8-9-30(13)34(32,33)16-5-3-4-14(10-16)19(2,31)21(26,27)28/h3-7,10-11,13,31H,8-9,12H2,1-2H3/t13-,19-/m1/s1",ZWASRJHIEFYJGL-BFUOFWGJSA-N
BMGC_DG04411,BMG_DG106013,CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4,O=S(c1cccc(Nc2c(C)cnc(Nc3ccc(OCCN4CCCC4)cc3)n2)c1)(=O)NC(C)(C)C,"InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)",JOOXLOJCABQBSG-UHFFFAOYSA-N
BMGC_DG04412,BMG_DG106017,[O-]I(=O)(=O)=O,I([O-])(=O)(=O)=O,"InChI=1S/HIO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1",KHIWWQKSHDUIBK-UHFFFAOYSA-M
BMGC_DG04413,BMG_DG106024,C[As](=O)(C)[O-],,"InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1",OGGXGZAMXPVRFZ-UHFFFAOYSA-M
BMGC_DG04414,BMG_DG106025,,C(CN(C(=O)OC)Cc1cc(ccc1)OCc2nc(oc2C)-c3ccc(cc3)Cl)(=O)O,,UJIBXDMNCMEJAY-UHFFFAOYSA-N
BMGC_DG04415,BMG_DG106029,CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N,C1CNC[C@@H](COc2c3n(c(nc3c(C#CC(C)(C)O)nc2)-c4nonc4N)CC)C1,"InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1",KGPGFQWBCSZGEL-ZDUSSCGKSA-N
BMGC_DG04416,BMG_DG106032,,O=C(NC1CCN(Cc2ccccc2)CC1)c3ccc4ccccc4c3,,RQEOFDOXFRRFQL-UHFFFAOYSA-N
BMGC_DG04417,BMG_DG106035,,,,
BMGC_DG04418,BMG_DG106043,,C(CN(C(=O)OC)Cc1c(ccc(c1)OCc2nc(oc2C)-c3ccc(cc3)Cl)F)(=O)O,,OPHWZEQODBXRCZ-UHFFFAOYSA-N
BMGC_DG04419,BMG_DG106060,,,,
BMGC_DG04420,BMG_DG106077,,c12ccccc2c(CCNC(c3cc4c(c(C(=O)c5ccc(Br)cc5)n3)[nH]c6ccccc64)=O)c[nH]1,,DLOFNWDJTXTZPF-UHFFFAOYSA-N
BMGC_DG04421,BMG_DG106081,C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)C)F)N3CC4=C(C3=O)C=CC(=C4)Br,,"InChI=1S/C28H24BrFN2O5/c1-15(28(36)37)31-26(34)25(32-14-20-12-21(29)8-9-22(20)27(32)35)11-17-3-5-18(6-4-17)23-13-19(16(2)33)7-10-24(23)30/h3-10,12-13,15,25H,11,14H2,1-2H3,(H,31,34)(H,36,37)/t15-,25-/m0/s1",OIZONSTWGHXIOF-MQNRADLISA-N
BMGC_DG04422,BMG_DG106089,CNCC1=CSC(=C1Cl)C(=O)NC2=C(C=C(C=C2OC)Cl)C(=O)NC3=NC=C(C=C3)Cl,,"InChI=1S/C20H17Cl3N4O3S/c1-24-7-10-9-31-18(16(10)23)20(29)27-17-13(5-12(22)6-14(17)30-2)19(28)26-15-4-3-11(21)8-25-15/h3-6,8-9,24H,7H2,1-2H3,(H,27,29)(H,25,26,28)",CYFNXPSIQONWKY-UHFFFAOYSA-N
BMGC_DG04423,BMG_DG106095,C1=CC2=C(N(N=C2C(=C1)C(F)(F)F)CC3=C(C=C(C=C3)F)Cl)C4=CC=C(C=C4)F,n1n(c(c2cccc(c12)C(F)(F)F)-c3ccc(cc3)F)Cc4c(cc(cc4)F)Cl,"InChI=1S/C21H12ClF5N2/c22-18-10-15(24)9-6-13(18)11-29-20(12-4-7-14(23)8-5-12)16-2-1-3-17(19(16)28-29)21(25,26)27/h1-10H,11H2",KYWWJENKIMRJBI-UHFFFAOYSA-N
BMGC_DG04424,BMG_DG106099,,c1c(c(cc(c1)C)C(NCCCCN2CCc3c(C2)cc(c(c3)OC)OC)=O)OCCF,,QVRVXSZKCXFBTE-UHFFFAOYSA-N
BMGC_DG04425,BMG_DG106105,C1[C@H]([C@H]([C@@H](S1)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC(=CC=C4)Cl)O)O,C1[C@H]([C@@H](O)[C@@H](S1)n2cnc3c2nc(nc3NCc4cc(ccc4)Cl)Cl)O,"InChI=1S/C16H15Cl2N5O2S/c17-9-3-1-2-8(4-9)5-19-13-11-14(22-16(18)21-13)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10-,12-,15-/m1/s1",JQUBXCDDRXAMLF-IXPVHAAZSA-N
BMGC_DG04426,BMG_DG106109,,Cc1cnnc(C#Cc2ccccc2)n1,,PXUGAXNBWJVVQY-UHFFFAOYSA-N
BMGC_DG04427,BMG_DG106110,,Cc1cnnc(C#Cc2cccc(Cl)c2)n1,,KPQLYWIRBOHKMO-UHFFFAOYSA-N
BMGC_DG04428,BMG_DG106112,,,,
BMGC_DG04429,BMG_DG106113,CC1=CNC(=C(C1=O)C)CN2C=NC3=C2N=C(N=C3Cl)N,c1nc(Cn2c3nc(nc(c3nc2)Cl)N)c(C)c(O)c1C,"InChI=1S/C13H13ClN6O/c1-6-3-16-8(7(2)10(6)21)4-20-5-17-9-11(14)18-13(15)19-12(9)20/h3,5H,4H2,1-2H3,(H,16,21)(H2,15,18,19)",UBBCAAXVXOVGLY-UHFFFAOYSA-N
BMGC_DG04430,BMG_DG106114,CC1=CN=C(C(=C1OC)C)CN2C=NC3=C2N=C(N=C3Cl)N,c1nc(Cn2c3nc(nc(c3nc2)Cl)N)c(C)c(OC)c1C,"InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)",QULDDKSCVCJTPV-UHFFFAOYSA-N
BMGC_DG04431,BMG_DG106116,C[C@@H]1CN(C[C@@H](O1)C)C2=NC3=C(C=CC(=N3)C4=CC(=C(C=C4)OC)CO)C(=N2)N5CCOCC5,C(O)c1c(ccc(c1)-c2ccc3c(nc(nc3N4CCOCC4)N5C[C@H](O[C@H](C5)C)C)n2)OC,"InChI=1S/C25H31N5O4/c1-16-13-30(14-17(2)34-16)25-27-23-20(24(28-25)29-8-10-33-11-9-29)5-6-21(26-23)18-4-7-22(32-3)19(12-18)15-31/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17+",RFSMUFRPPYDYRD-CALCHBBNSA-N
BMGC_DG04432,BMG_DG106121,,C(#Cc1nc(sc1)CF)c2cc(C#N)cc(c2)F,,WTLBLIGPXACYET-UHFFFAOYSA-N
BMGC_DG04433,BMG_DG106126,CC1=CC(=C(C=C1)OCC[18F])C(=O)NCCCCN2CCC3=CC(=C(C=C3C2)OC)OC,c1c(c(cc(c1)C)C(NCCCCN2CCc3c(C2)cc(c(c3)OC)OC)=O)OCC[18F],"InChI=1S/C25H33FN2O4/c1-18-6-7-22(32-13-9-26)21(14-18)25(29)27-10-4-5-11-28-12-8-19-15-23(30-2)24(31-3)16-20(19)17-28/h6-7,14-16H,4-5,8-13,17H2,1-3H3,(H,27,29)/i26-1",QVRVXSZKCXFBTE-KPVNRNJOSA-N
BMGC_DG04434,BMG_DG106134,CCC1=C(C(=NN1CCO)CC)OC2=CC(=CC(=C2)C#N)C#N,CCc1nn(CCO)c(CC)c1Oc2cc(cc(c2)C#N)C#N,"InChI=1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3",MCPUZZJBAHRIPO-UHFFFAOYSA-N
BMGC_DG04435,BMG_DG106135,CC[C@H](C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CS)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCCN)N,,"InChI=1S/C99H155N33O19S4/c1-5-54(4)79(95(151)130-76(52-155)93(149)126-71(45-57-31-35-60(134)36-32-57)88(144)121-67(27-17-41-114-98(108)109)83(139)120-66(24-12-14-38-101)84(140)127-73(49-152)90(146)118-64(80(103)136)25-15-39-112-96(104)105)131-77(135)48-117-82(138)65(26-16-40-113-97(106)107)119-86(142)70(44-56-29-33-59(133)34-30-56)125-92(148)75(51-154)129-94(150)78(53(2)3)132-85(141)68(28-18-42-115-99(110)111)122-87(143)69(43-55-19-7-6-8-20-55)124-91(147)74(50-153)128-89(145)72(123-81(137)62(102)22-11-13-37-100)46-58-47-116-63-23-10-9-21-61(58)63/h6-10,19-21,23,29-36,47,53-54,62,64-76,78-79,116,133-134,152-155H,5,11-18,22,24-28,37-46,48-52,100-102H2,1-4H3,(H2,103,136)(H,117,138)(H,118,146)(H,119,142)(H,120,139)(H,121,144)(H,122,143)(H,123,137)(H,124,147)(H,125,148)(H,126,149)(H,127,140)(H,128,145)(H,129,150)(H,130,151)(H,131,135)(H,132,141)(H4,104,105,112)(H4,106,107,113)(H4,108,109,114)(H4,110,111,115)/t54-,62-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,78-,79-/m0/s1",HMHANTFVNOFNNZ-CPFWMRGPSA-N
BMGC_DG04436,BMG_DG106137,,,,
BMGC_DG04437,BMG_DG106139,C[C@]12CC[C@@H](CC1=C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C)O)O,[H][C@@]12CC[C@]3([C@@]([H])(CC[C@@]3(O)C#C)[C@@]2([C@@H](O)C=C4C[C@H](CC[C@]14C)O)[H])C,"InChI=1S/C21H30O3/c1-4-21(24)10-7-16-18-15(6-9-20(16,21)3)19(2)8-5-14(22)11-13(19)12-17(18)23/h1,12,14-18,22-24H,5-11H2,2-3H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1",JJKOQZHWYLMASZ-FJWDNACWSA-N
BMGC_DG04438,BMG_DG106140,CN1C/C=C/CCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1,CN1Cc2cc(ccc2)Nc3nc(ccn3)-c4cc(ccc4)OCC/C=C/C1,"InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+",VXBAJLGYBMTJCY-NSCUHMNNSA-N
BMGC_DG04439,BMG_DG106141,CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1,c1cccc2c1ccc3c2cc4c5c3CCc5c(cc4)C,"InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3",PPQNQXQZIWHJRB-UHFFFAOYSA-N
BMGC_DG04440,BMG_DG106146,C1=CC=C(C=C1)CCN=C=S,C(=S)=NCCc1ccccc1,"InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2",IZJDOKYDEWTZSO-UHFFFAOYSA-N
BMGC_DG04441,BMG_DG106147,,,,
BMGC_DG04442,BMG_DG106151,,,,
BMGC_DG04443,BMG_DG106152,,,,
BMGC_DG04444,BMG_DG106153,,,,
BMGC_DG04445,BMG_DG106154,,,,
BMGC_DG04446,BMG_DG106155,,,,
BMGC_DG04447,BMG_DG106156,,,,
BMGC_DG04448,BMG_DG106162,,FC(c1ccc(Nc2c3c(nc(N4CCCCC4)n2)CCN(CC3)c5ncccc5C(F)(F)F)cc1)(F)F,,MRHHSXHMRZMNIM-UHFFFAOYSA-N
BMGC_DG04449,BMG_DG106193,,C(c1ccc(C(=O)O)cc1O)(O)(C)CCCC(O)(C)C,,YCUWMGPYKGLQQF-UHFFFAOYSA-N
BMGC_DG04450,BMG_DG106200,,c1(cc(=O)[nH]c([nH]1)=O)C(=O)O.[nH]1c(c(nc1)C(N)=O)N,,PVCSUEOGEIOUHG-UHFFFAOYSA-N
BMGC_DG04451,BMG_DG106214,CC(C)(C1=CC2=C(C=C1)N(C=N2)C3=CC=CC(=C3)C4=CC=CC=C4C#N)O,c1(c(cccc1)C#N)-c2cc(ccc2)-n3c4c(nc3)cc(cc4)C(C)(C)O,"InChI=1S/C23H19N3O/c1-23(2,27)18-10-11-22-21(13-18)25-15-26(22)19-8-5-7-16(12-19)20-9-4-3-6-17(20)14-24/h3-13,15,27H,1-2H3",HLKYSQGBIIIQJN-UHFFFAOYSA-N
BMGC_DG04452,BMG_DG106215,CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C,c1cc(nc(n1)Nc2ccc(cc2)S(=O)(=O)C)-c3cnc(n3C(C)C)C,"InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)",WJRRGYBTGDJBFX-UHFFFAOYSA-N
BMGC_DG04453,BMG_DG106226,,c12OCOc1c3c4c(cc(c3c(c2)C(=O)O)[N+](=O)[O-])c(cc(c4)OC)OC,,GYBINMVKWZEICQ-UHFFFAOYSA-N
BMGC_DG04454,BMG_DG106229,,,,
BMGC_DG04455,BMG_DG106230,CS(=O)(=O)C1=CC=CC(=C1)C2=CC(=NC=N2)N3C[C@@H]([C@H](C3)N)C4=CC(=C(C=C4F)F)F,,"InChI=1S/C21H19F3N4O2S/c1-31(29,30)13-4-2-3-12(5-13)20-8-21(27-11-26-20)28-9-15(19(25)10-28)14-6-17(23)18(24)7-16(14)22/h2-8,11,15,19H,9-10,25H2,1H3/t15-,19+/m1/s1",OAWGQHXWGXOUKV-BEFAXECRSA-N
BMGC_DG04456,BMG_DG106231,,,,
BMGC_DG04457,BMG_DG106232,,,,
BMGC_DG04458,BMG_DG106233,,,,
BMGC_DG04459,BMG_DG106235,,,,
BMGC_DG04460,BMG_DG106237,,,,
BMGC_DG04461,BMG_DG106238,,,,
BMGC_DG04462,BMG_DG106242,C[C@@H]1CC[C@@H](N1C2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F)[C@H](C(F)(F)F)O,FC(F)(F)[C@H](O)[C@@]1(N([C@@H](CC1)C)c2cc3c([nH]c(=O)cc3C(F)(F)F)cc2)[H],"InChI=1S/C17H16F6N2O2/c1-8-2-5-13(15(27)17(21,22)23)25(8)9-3-4-12-10(6-9)11(16(18,19)20)7-14(26)24-12/h3-4,6-8,13,15,27H,2,5H2,1H3,(H,24,26)/t8-,13-,15-/m1/s1",HWLLYFXDDGGHOE-BCSUUIJWSA-N
BMGC_DG04463,BMG_DG106243,C1CCN(C1)CCOC2=C3COC/C=C/COCC4=CC=C(O4)C5=NC(=NC=C5)NC(=C3)C=C2,c1cnc2nc1-c3oc(cc3)COC/C=C/COCc4cc(N2)ccc4OCCN5CCCC5,"InChI=1S/C26H30N4O4/c1-2-12-30(11-1)13-16-33-24-7-5-21-17-20(24)18-31-14-3-4-15-32-19-22-6-8-25(34-22)23-9-10-27-26(28-21)29-23/h3-10,17H,1-2,11-16,18-19H2,(H,27,28,29)/b4-3+",NNXDIGHYPZHXTR-ONEGZZNKSA-N
BMGC_DG04464,BMG_DG106244,,,,
BMGC_DG04465,BMG_DG106254,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C5=CC=NC=C5)O)C)O)F)C,[C@]12([C@]([C@]3([C@]([C@@]4(C(=CC(=O)C=C4)CC3)C)(F)[C@H](C1)O)[H])(C[C@H]([C@@]2(C(COC(c5ccncc5)=O)=O)O)C)[H])C,"InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1",BQTXJHAJMDGOFI-NJLPOHDGSA-N
BMGC_DG04466,BMG_DG106256,,,,
BMGC_DG04467,BMG_DG106269,CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC,c12c3-c4cc(OC)c(cc4C[C@@]1(N(C)CCc2cc(OC)c3OC)[H])OC,"InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1",RUZIUYOSRDWYQF-HNNXBMFYSA-N
BMGC_DG04468,BMG_DG106272,CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O,C(O)(=O)c1c(CCCCCCCCCCCCCCC)cccc1O,"InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)",ADFWQBGTDJIESE-UHFFFAOYSA-N
BMGC_DG04469,BMG_DG106274,C[C@@H](C(F)(F)F)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC4=C(C=C3)N=CN4)C(F)(F)F,c1nc2c([nH]1)ccc(c2)-c3noc(n3)-c4cc(c(cc4)O[C@H](C(F)(F)F)C)C(F)(F)F,"InChI=1S/C19H12F6N4O2/c1-9(18(20,21)22)30-15-5-3-11(6-12(15)19(23,24)25)17-28-16(29-31-17)10-2-4-13-14(7-10)27-8-26-13/h2-9H,1H3,(H,26,27)/t9-/m0/s1",NJNXCJPSMWKXHO-VIFPVBQESA-N
BMGC_DG04470,BMG_DG106283,,[C@H]1(N(C(c2c(cc(cc2)OC)OC(C)C)=N[C@@H]1c3ccc(cc3)Cl)C(=O)N4CCNC(C4)=O)c5ccc(cc5)Cl,,BDUHCSBCVGXTJM-IZLXSDGUSA-N
BMGC_DG04471,BMG_DG106285,CN(C)C(=O)CCN1C(=NC(=N1)NC2=CC3=C(C=C2)OC(O3)(F)F)C4=CC=NC=C4,c1cnccc1-c2nc(Nc3cc4c(cc3)OC(F)(F)O4)nn2CCC(N(C)C)=O,"InChI=1S/C19H18F2N6O3/c1-26(2)16(28)7-10-27-17(12-5-8-22-9-6-12)24-18(25-27)23-13-3-4-14-15(11-13)30-19(20,21)29-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,23,25)",IURMHZBQEYNQOH-UHFFFAOYSA-N
BMGC_DG04472,BMG_DG106286,,CCOc1cccc(c1)-n2cc(nc2-c3ccc(C)cc3)C(=O)N4CCN(CC4)c5cc(C(=O)O)c6ccccc6c5,,HMGSYODAZJHCRL-UHFFFAOYSA-N
BMGC_DG04473,BMG_DG106290,C1=CC=C(C=C1)CCCCC(=O)O,c1(CCCCC(O)=O)ccccc1,"InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)",BYHDDXPKOZIZRV-UHFFFAOYSA-N
BMGC_DG04474,BMG_DG106297,CC[C@H](C)CC([C@]1(CC[C@H]2[C@H](O1)CC(=O)[C@@H]2CCCCCCC(=O)O)O)(F)F,[C@@]1(O[C@@]2(CC(=O)[C@@H]([C@]2(CC1)[H])CCCCCCC(=O)O)[H])(C(C[C@H](CC)C)(F)F)O,"InChI=1S/C21H34F2O5/c1-3-14(2)13-20(22,23)21(27)11-10-16-15(17(24)12-18(16)28-21)8-6-4-5-7-9-19(25)26/h14-16,18,27H,3-13H2,1-2H3,(H,25,26)/t14-,15+,16+,18+,21+/m0/s1",SDDSJMXGJNWMJY-BRHAQHMBSA-N
BMGC_DG04475,BMG_DG106298,,,,
BMGC_DG04476,BMG_DG106315,,,,
BMGC_DG04477,BMG_DG106316,,,,
BMGC_DG04478,BMG_DG106322,,c1ccccc1C2=CCN(CC2)Cc3cnc(C)nc3N,,KABDATZAOUSYES-UHFFFAOYSA-N
BMGC_DG04479,BMG_DG106336,CCCC[C@H](C(=O)[O-])NC(=O)[C@@H](CC1=CN(C2=CC=CC=C21)C(=O)OC)NC(=O)[C@H](CC(C)(C)C)NC(=O)N3[C@@H](CCC[C@@H]3C)C.[Na+],C([C@H](NC([C@H](NC([C@@H](NC(=O)N1[C@@H](CCC[C@@H]1C)C)CC(C)(C)C)=O)Cc2cn(c3ccccc23)C(=O)OC)=O)CCCC)(=O)[O-].[Na+],"InChI=1S/C34H51N5O7.Na/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3;/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43);/q;+1/p-1/t21-,22+,25-,26-,27+;/m1./s1",QCVIFBRTTLMEOV-FUKQNADPSA-M
BMGC_DG04480,BMG_DG106338,CCCN1C2=C(C(=O)NC1=O)NC=N2,c12n(c(=O)[nH]c(c1nc[nH]2)=O)CCC,"InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)",SIQPXVQCUCHWDI-UHFFFAOYSA-N
BMGC_DG04481,BMG_DG106346,C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.[Na+],OP(C(P(=O)(O)[O-])(O)CCCN)(O)=O.[Na+],"InChI=1S/C4H13NO7P2.Na/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);/q;+1/p-1",CAKRAHQRJGUPIG-UHFFFAOYSA-M
BMGC_DG04482,BMG_DG106347,,,,
BMGC_DG04483,BMG_DG106349,CC(C)[C@@H](C(=O)N[C@@H](CC(=O)OC)C(=O)CF)NC(=O)[C@H](CCC(=O)OC)NC(=O)[C@H](CC(=O)OC)NC(=O)OCC1=CC=CC=C1,,"InChI=1S/C30H41FN4O12/c1-17(2)26(29(42)33-20(22(36)15-31)13-24(38)45-4)35-27(40)19(11-12-23(37)44-3)32-28(41)21(14-25(39)46-5)34-30(43)47-16-18-9-7-6-8-10-18/h6-10,17,19-21,26H,11-16H2,1-5H3,(H,32,41)(H,33,42)(H,34,43)(H,35,40)/t19-,20-,21-,26-/m0/s1",GBJVAVGBSGRRKN-JYEBCORGSA-N
BMGC_DG04484,BMG_DG106353,C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[K+],[C@@H]([C@H]([C@@H]([C@H](O)CO)O)O)(C([O-])=O)O.[K+],"InChI=1S/C6H12O7.K/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1/t2-,3-,4+,5-;/m1./s1",HLCFGWHYROZGBI-JJKGCWMISA-M
BMGC_DG04485,BMG_DG106358,,,,
BMGC_DG04486,BMG_DG106369,CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC,,"InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)",BMGQWWVMWDBQGC-UHFFFAOYSA-N
BMGC_DG04487,BMG_DG106396,,c1nc(N2CCNCC2)c3ccsc3n1,,HFGUINASBGDWLY-UHFFFAOYSA-N
BMGC_DG04488,BMG_DG106398,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O,,"InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1",RZPAXNJLEKLXNO-GFKLAVDKSA-N
BMGC_DG04489,BMG_DG106406,,OB(O)c1cccc(c1)[N+]([O-])=O,,ZNRGSYUVFVNSAW-UHFFFAOYSA-N
BMGC_DG04490,BMG_DG106509,CCCN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O,Oc1c2-c3c4[C@](N(CCc4ccc3)CCC)(Cc2ccc1O)[H],"InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1",BTGAJCKRXPNBFI-OAHLLOKOSA-N
BMGC_DG04491,BMG_DG106522,,N(C(=O)c1cnccn1)c2c(N)cccc2,,LMWPVSNHKACEKW-UHFFFAOYSA-N
BMGC_DG04492,BMG_DG106546,,N[C@@H](Cn1cc(Br)c(=O)[nH]c1=O)C(O)=O,,AEKIJKSVXKWGRJ-BYPYZUCNSA-N
BMGC_DG04493,BMG_DG106551,,O=C1Nc2c(ccc(Cl)c2Cl)C1=O,,XTXIILHWOQZVAQ-UHFFFAOYSA-N
BMGC_DG04494,BMG_DG106556,,c12c(ccc(c1C(O)=O)O)cccc2,,UPHOPMSGKZNELG-UHFFFAOYSA-N
BMGC_DG04495,BMG_DG106570,,C1C(=O)Nc2c(cc(cc2)C(F)(F)F)C(=N1)c3ccccc3,,UUBMOUNXQFMBQF-UHFFFAOYSA-N
BMGC_DG04496,BMG_DG106572,CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)NC4=CC=CC=C42,,"InChI=1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3",HTNVFUBCWIYPJN-UHFFFAOYSA-N
BMGC_DG04497,BMG_DG106673,C(CN(CCO[N+](=O)[O-])CCO[N+](=O)[O-])N(CCO[N+](=O)[O-])CCO[N+](=O)[O-],N(CCO[N+]([O-])=O)(CCO[N+]([O-])=O)CCN(CCO[N+]([O-])=O)CCO[N+]([O-])=O,InChI=1S/C10H20N6O12/c17-13(18)25-7-3-11(4-8-26-14(19)20)1-2-12(5-9-27-15(21)22)6-10-28-16(23)24/h1-10H2,DLDKCSIJFIPYRK-UHFFFAOYSA-N
BMGC_DG04498,BMG_DG106755,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@H](CCC(C)C)O,,"InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1",RZPAXNJLEKLXNO-QUOSNDFLSA-N
BMGC_DG04499,BMG_DG106772,C#CC[C@@H](C(=O)O)N,N[C@@H](CC#C)C(=O)O,"InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)/t4-/m0/s1",DGYHPLMPMRKMPD-BYPYZUCNSA-N
BMGC_DG04500,BMG_DG106778,,c1c(c(cc(c1)CCC(C[C@@H](O)CCCCCCC)=O)OC)O,,BCIWKKMTBRYQJU-INIZCTEOSA-N
BMGC_DG04501,BMG_DG106779,,c1c(c(cc(c1)CCC(C[C@@H](O)CCCCCCCCC)=O)OC)O,,AIULWNKTYPZYAN-SFHVURJKSA-N
BMGC_DG04502,BMG_DG106780,,,,
BMGC_DG04503,BMG_DG106782,,,,
BMGC_DG04504,BMG_DG106785,COP(=S)(O)OC,P(OC)(OC)(=O)S,"InChI=1S/C2H7O3PS/c1-4-6(3,7)5-2/h1-2H3,(H,3,7)",WWJJVKAEQGGYHJ-UHFFFAOYSA-N
BMGC_DG04505,BMG_DG106794,,OC(=O)[C@H](Cc1c[nH]c2ccccc21)NC(=O)[C@@H](N)C(C)C,,LZDNBBYBDGBADK-KBPBESRZSA-N
BMGC_DG04506,BMG_DG106801,,OC(=O)CCP(O)(O)=O,,NLBSQHGCGGFVJW-UHFFFAOYSA-N
BMGC_DG04507,BMG_DG106805,CCCCCCCCC1CCC(=O)O1,C1(OC(=O)CC1)CCCCCCCC,"InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3",WGPCZPLRVAWXPW-UHFFFAOYSA-N
BMGC_DG04508,BMG_DG106836,CN1C2CCC1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl,,"InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3",MNJNPLVXBISNSX-UHFFFAOYSA-N
BMGC_DG04509,BMG_DG106906,C[C@@H]1[C@@H]2C[C@]([C@@H](C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCSC5CC(=O)N(C5=O)CC6CCC(CC6)C(=O)N)C)C)OC)(NC(=O)O2)O,,"InChI=1S/C47H64ClN5O13S/c1-25-10-9-11-35(63-8)47(61)23-33(64-45(60)50-47)26(2)41-46(4,66-41)36(22-38(55)52(6)31-19-29(18-25)20-32(62-7)40(31)48)65-44(59)27(3)51(5)37(54)16-17-67-34-21-39(56)53(43(34)58)24-28-12-14-30(15-13-28)42(49)57/h9-11,19-20,26-28,30,33-36,41,61H,12-18,21-24H2,1-8H3,(H2,49,57)(H,50,60)/t26-,27+,28?,30?,33+,34?,35-,36+,41+,46+,47+/m1/s1",WPWQMVXPTHKASL-PUXYSECUSA-N
BMGC_DG04510,BMG_DG106910,CCN(C(=O)C)[C@@]1(CO[C@H](C[C@@H]1OC)O[C@@H]2[C@@H]([C@@H]([C@H](O[C@H]2O[C@H]3C#CC=CC#C[C@@]4(CC(=O)C(=C3C4=CCSSC(C)(C)CC(=O)NN=C(C)C5=CC=C(C=C5)OCCCC(=O)N)NC(=O)OC)O)C)NO[C@H]6C[C@@H]([C@@H]([C@H](O6)C)SC(=O)C7=C(C(=C(C(=C7OC)O)OC8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)OC)O)I)C)O)O)C,,"InChI=1S/C73H97IN6O25S3/c1-15-80(41(7)81)72(10)35-98-51(32-48(72)93-11)103-65-59(87)56(79-105-52-31-45(82)66(40(6)99-52)107-67(90)53-36(2)55(74)63(60(88)62(53)94-12)104-68-61(89)64(95-13)58(86)39(5)101-68)38(4)100-69(65)102-47-21-18-16-17-19-28-73(92)33-46(83)57(76-70(91)96-14)54(47)44(73)27-30-106-108-71(8,9)34-50(85)78-77-37(3)42-23-25-43(26-24-42)97-29-20-22-49(75)84/h16-17,23-27,38-40,45,47-48,51-52,56,58-59,61,64-66,68-69,79,82,86-89,92H,15,20,22,29-35H2,1-14H3,(H2,75,84)(H,76,91)(H,78,85)/t38-,39+,40-,45+,47+,48+,51+,52+,56-,58+,59-,61-,64-,65-,66-,68?,69+,72-,73+/m1/s1",IUPYOZANCCCTSM-HATVIOBMSA-N
BMGC_DG04511,BMG_DG106966,,C(C(OCCN(C)C)=O)(O)(C1CCCCC1)c2ccccc2,,BGUILKOLBPOILU-UHFFFAOYSA-N
BMGC_DG04512,BMG_DG106967,CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)C3=NOC(=N3)C(F)(F)F,c1(nc(-c2cc(c(OCCCc3onc(c3)C)c(c2)C)C)no1)C(F)(F)F,"InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3",KQOXLKOJHVFTRN-UHFFFAOYSA-N
BMGC_DG04513,BMG_DG106969,CCN1C(=O)CCC1=O,CCN1C(=O)CCC1=O,"InChI=1S/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3",GHAZCVNUKKZTLG-UHFFFAOYSA-N
BMGC_DG04514,BMG_DG107119,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)C(=C7[C@@]([C@@H](C(=N7)C=C8C([C@@H](C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-][C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3],,"InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1",OAJLVMGLJZXSGX-OUCXYWSSSA-L
BMGC_DG04515,BMG_DG107121,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)C(=C7[C@@]([C@@H](C(=N7)C=C8C([C@@H](C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",FDJOLVPMNUYSCM-WZHZPDAFSA-L
BMGC_DG04516,BMG_DG107203,C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O,C12(OC(=O)c3c1cccc3)c4c(cc(cc4)O)Oc5c2ccc(O)c5,"InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H",GNBHRKFJIUUOQI-UHFFFAOYSA-N
BMGC_DG04517,BMG_DG107237,,c1(c(cccc1)C=C)S(=O)(=O)O,,VMSBGXAJJLPWKV-UHFFFAOYSA-N
BMGC_DG04518,BMG_DG107246,,C(Nc1cnc(OCCOC)nc1)(=O)c2nc(nc(C(F)(F)F)c2)-n3ccnc3,,HETNKTFSCIEHQT-UHFFFAOYSA-N
BMGC_DG04519,BMG_DG107271,,C1(CC2CCC(C1)N2C)OC(c3ccc(cc3)Cl)c4ccccc4,,OCAXFDULERPAJM-UHFFFAOYSA-N
BMGC_DG04520,BMG_DG107274,,c1(ccc2[C@]3(CC[C@@]4(C(CC[C@]4(C3=CCc2c1)[H])=O)C)[H])OS(=O)(=O)O,,YJBYRYVLFAUXBJ-HFTRVMKXSA-N
BMGC_DG04521,BMG_DG107275,,C1=C(C(=O)c2c(C1=O)cccc2)OC,,OBGBGHKYJAOXRR-UHFFFAOYSA-N
BMGC_DG04522,BMG_DG107276,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CC=C(C=C4)O)O,,"InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1",LTVXPVBFJBTNIJ-TYHXJLICSA-N
BMGC_DG04523,BMG_DG107292,CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl,N1(C(CN=C(c2c1ccc(c2)Cl)c3ccc(cc3)Cl)=O)C,"InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3",PUMYFTJOWAJIKF-UHFFFAOYSA-N
BMGC_DG04524,BMG_DG107302,C1C(C(OC1N2C=NC(=NC2=O)N)CO)O,,"InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)",XAUDJQYHKZQPEU-UHFFFAOYSA-N
BMGC_DG04525,BMG_DG107306,CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O,N12[C@@](O[C@](C(C)C)(C1=O)NC([C@@H]3C[C@@]4([H])[C@]([H])(N(C)C3)Cc5c6c4cccc6[nH]c5)=O)([C@@]7(CCCN7C([C@@H]2C(C)C)=O)[H])O,"InChI=1S/C31H41N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37)/t19-,21-,23-,24+,26+,30-,31+/m1/s1",SEALOBQTUQIVGU-QNIJNHAOSA-N
BMGC_DG04526,BMG_DG107330,C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[La+3].[La+3],[La+3].[O-]C([O-])=O.[La+3].[O-]C([O-])=O.[O-]C([O-])=O,"InChI=1S/3CH2O3.2La/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",NZPIUJUFIFZSPW-UHFFFAOYSA-H
BMGC_DG04527,BMG_DG107331,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]2[C@H]1C)C)C,C1C[C@]2([C@]([C@@]([C@@H]1O)(C)C(O)=O)(CC[C@@]3([C@@]2(CC=C4[C@]3(CC[C@@]5([C@]4([C@H]([C@@H](CC5)C)C)[H])C)C)[H])C)[H])C,"InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1",NBGQZFQREPIKMG-PONOSELZSA-N
BMGC_DG04528,BMG_DG107361,CO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)O)C=C1,O([C@H]1C=CC=2[C@@]3(N(CC2)CCc4cc(O)c(OC)cc43)C1)C,"InChI=1S/C18H21NO3/c1-21-14-4-3-13-6-8-19-7-5-12-9-16(20)17(22-2)10-15(12)18(13,19)11-14/h3-4,6,9-10,14,20H,5,7-8,11H2,1-2H3/t14-,18-/m0/s1",BDIVMECULLJBMU-KSSFIOAISA-N
BMGC_DG04529,BMG_DG107376,,C([C@H](C)c1cc2ccc(cc2cc1)OC)(=O)O,,CMWTZPSULFXXJA-SECBINFHSA-N
BMGC_DG04530,BMG_DG107384,CNC(=NC)NCCC[C@@H](C(=O)O)N,C(NC)(NC)=NCCC[C@@H](C(=O)O)N,"InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1",HVPFXCBJHIIJGS-LURJTMIESA-N
BMGC_DG04531,BMG_DG107398,C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCC(=O)O)O,[C@]12(C(=CC(=O)C=C1)[C@@H](C)C[C@@]3([C@@]2([C@H](C[C@@]4([C@](C(COC(=O)CCC(=O)O)=O)(O)CC[C@@]34[H])C)O)[H])[H])C,"InChI=1S/C26H34O8/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31)/t14-,16-,17-,19-,23+,24-,25-,26-/m0/s1",IMBXEJJVJRTNOW-XYMSELFBSA-N
BMGC_DG04532,BMG_DG107401,,O1C[C@]2([C@@]([C@H]1c3ccc(c(c3)OC)OC)(CO[C@@H]2c4cc(c(c(c4)OC)OC)OC)[H])[H],,MFIHSKBTNZNJIK-RZTYQLBFSA-N
BMGC_DG04533,BMG_DG107422,,[nH]1cnc2n(c(n(c(c12)=O)CCC)=O)CCC,,MJVIGUCNSRXAFO-UHFFFAOYSA-N
BMGC_DG04534,BMG_DG107428,,C1(c2c3[C@]([C@H](O1)COC)(C4=C(C(c3oc2)=O)[C@@]5(CCC([C@]5(CC4)C)=O)[H])C)=O,,GXVZXRZMWGYXMQ-DJOOALQISA-N
BMGC_DG04535,BMG_DG107434,C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N,n1c(c2nc(CNc3ccc(C(N[C@H](C(=O)O)CCC(=O)O)=O)cc3)cnc2nc1N)N,"InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1",TVZGACDUOSZQKY-LBPRGKRZSA-N
BMGC_DG04536,BMG_DG107440,,,,
BMGC_DG04537,BMG_DG107559,,C(CCC)(N)(P(O)(=O)O)P(O)(=O)O,,XLIREHXMRXKQIV-UHFFFAOYSA-N
BMGC_DG04538,BMG_DG107583,,N1(c2nc(N3[C@H](CC3)C)nc4C(CCc42)(F)F)C[C@H](CC1)CCC(=O)O,,AIYUIFPRCKEHOE-RYUDHWBXSA-N
BMGC_DG04539,BMG_DG107587,,c12c(cc3N(CCCOc3n1)c4c(C(=O)NS(=O)(=O)c5cc(c(cc5)NC[C@@H]6CC[C@H](CO6)OC)[N+](=O)[O-])ccc(c4)N7C[C@@H]8N(CC7)CC9=C(CC(C)(C)C[C@H]9OCCCOC8)c%10ccc(Cl)cc%10)cc[nH]2,,AWGQQZVAXXLVMT-ORYVFAGJSA-N
BMGC_DG04540,BMG_DG107890,C(C[C@@H](C(=O)O)N)CN=C(N)N[C@@H](CC(=O)O)C(=O)O,O=C(O)C[C@@H](C(=O)O)N/C(=N/CCC[C@H](N)C(=O)O)/N,"InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1",KDZOASGQNOPSCU-WDSKDSINSA-N
BMGC_DG04541,BMG_DG107897,CC1=C(C(=O)C=CO1)[O-].CC1=C(C(=O)C=CO1)[O-].CC1=C(C(=O)C=CO1)[O-].[Fe+3],c1(c(C)occc1=O)[O-].[Fe+3].c1(c(C)occc1=O)[O-].c1(c(C)occc1=O)[O-],"InChI=1S/3C6H6O3.Fe/c3*1-4-6(8)5(7)2-3-9-4;/h3*2-3,8H,1H3;/q;;;+3/p-3",AHPWLYJHTFAWKI-UHFFFAOYSA-K
BMGC_DG04542,BMG_DG107899,,C[n+]1c(sc2c1ccc(c2)C)-c3ccc(cc3)N(C)C,,FXEKRIDRIFBJOR-UHFFFAOYSA-N
BMGC_DG04543,BMG_DG107924,,c1(c(cc(cc1CCCCC)O)OC)O,,QYDCWUURASKCKV-UHFFFAOYSA-N
BMGC_DG04544,BMG_DG107928,CN(C)CC[C@@H](C1=CC=C(C=C1)Br)C2=CC=CC=N2,[C@H](CCN(C)C)(c1ccc(cc1)Br)c2ncccc2,"InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1",ZDIGNSYAACHWNL-HNNXBMFYSA-N
BMGC_DG04545,BMG_DG107938,,c12[C@]3([C@](C[C@H](C(=C3)C)O)([H])C(Oc1cc(cc2O)CCCCC)(C)C)[H];[C@@]12(c3c(OC([C@@]1(C[C@H](C(=C2)C)O)[H])(C)C)cc(CCCCC)cc3O)[H],,INKUWBOHCFHXTJ-BRWVUGGUSA-N
BMGC_DG04546,BMG_DG107948,,c1(ccc(cc1)CCN)S(=O)(=O)N,,FXNSVEQMUYPYJS-UHFFFAOYSA-N
BMGC_DG04547,BMG_DG107952,C1=CC=C(C=C1)NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC=CC=C4,N1C(c2c(C1=O)cc(c(c2)Nc3ccccc3)Nc4ccccc4)=O,"InChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)",AAALVYBICLMAMA-UHFFFAOYSA-N
BMGC_DG04548,BMG_DG107958,,N(c1c2c(cc(OCCOC)cc2F)ncn1)c3ccc(NC(NCCC(C)(C)F)=O)cc3,,YGSKKXQWBYSYPC-UHFFFAOYSA-N
BMGC_DG04549,BMG_DG107959,C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2C(=O)O)C(F)(F)F,c12c(C(F)(F)F)cccc1c(C(O)=O)cc(C(F)(F)F)n2,"InChI=1S/C12H5F6NO2/c13-11(14,15)7-3-1-2-5-6(10(20)21)4-8(12(16,17)18)19-9(5)7/h1-4H,(H,20,21)",QJTJIQBSZLFWFS-UHFFFAOYSA-N
BMGC_DG04550,BMG_DG107966,,c1c[n+](cc(c1)C(=O)O)[O-],,FJCFFCXMEXZEIM-UHFFFAOYSA-N
BMGC_DG04551,BMG_DG107973,,,,
BMGC_DG04552,BMG_DG107985,C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C(C(=CC(=C34)O)O)[C@@H]5[C@H]([C@H](OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O,Oc1cc(O)c([C@@H]2[C@@H](O)[C@@H](c3ccc(O)c(O)c3)Oc4cc(O)cc(O)c42)c5O[C@H](c6ccc(O)c(O)c6)[C@H](O)[C@@H](c7c(O)cc(O)c8C[C@@H](O)[C@@H](c9ccc(O)c(O)c9)Oc87)c51,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",MOJZMWJRUKIQGL-XILRTYJMSA-N
BMGC_DG04553,BMG_DG107987,CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)C,[C@]12([C@@](CC[C@]1([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(C4)=O)C)[H])[H])(OC(=O)CCCCC)C(=O)C)C,"InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1",DOMWKUIIPQCAJU-LJHIYBGHSA-N
BMGC_DG04554,BMG_DG107990,CCC(CC1=C(C=C(C(=C1)OC)C)OC)N,CCC(N)Cc1cc(OC)c(C)cc1OC,"InChI=1S/C13H21NO2/c1-5-11(14)7-10-8-12(15-3)9(2)6-13(10)16-4/h6,8,11H,5,7,14H2,1-4H3",MLYCFWZIAJAIGW-UHFFFAOYSA-N
BMGC_DG04555,BMG_DG108019,,NS(=O)(=O)c1ccc(C(=O)NCc2cccc(F)c2F)cc1,,QASSMVGOSBNFQY-UHFFFAOYSA-N
BMGC_DG04556,BMG_DG108026,,N[C@@H](CSSCCO)C(O)=O,,YPUBRSXDQSFQBA-BYPYZUCNSA-N
BMGC_DG04557,BMG_DG108040,C1=CC(=CC=C1CCN)S(=O)(=O)F,S(c1ccc(cc1)CCN)(=O)(=O)F,"InChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2",MGSKVZWGBWPBTF-UHFFFAOYSA-N
BMGC_DG04558,BMG_DG108085,,Cc1c2c(=O)n(-c3ccccc3Cl)[nH]c2cc(=O)n1Cc4ccccn4,,DNKYHHFCPXKFIY-UHFFFAOYSA-N
BMGC_DG04559,BMG_DG108116,CCOC(=O)[C@H](CC1=CC(=C(C=C1)O)O)N,C([C@H](Cc1cc(O)c(cc1)O)N)(=O)OCC,"InChI=1S/C11H15NO4/c1-2-16-11(15)8(12)5-7-3-4-9(13)10(14)6-7/h3-4,6,8,13-14H,2,5,12H2,1H3/t8-/m0/s1",NULMGOSOSZBEQL-QMMMGPOBSA-N
BMGC_DG04560,BMG_DG108129,C1C2CNCC1C3=CC4=NC=CN=C4C=C23,,"InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2",JQSHBVHOMNKWFT-UHFFFAOYSA-N
BMGC_DG04561,BMG_DG108131,CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)C[C@@H](C(=O)O)NC4=CC=CC=C4C(=O)C5=CC=CC=C5,n1c(oc(c1CCOc2ccc(C[C@H](Nc3c(C(=O)c4ccccc4)cccc3)C(=O)O)cc2)C)-c5ccccc5,"InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1",ZZCHHVUQYRMYLW-HKBQPEDESA-N
BMGC_DG04562,BMG_DG108227,,,,
BMGC_DG04563,BMG_DG108268,,C(OC)(=O)[C@H]1[C@H](C[C@H]2N([C@@H]1CC2)C)c3ccccc3,,OMBOXYLBBHNWHL-YJNKXOJESA-N
BMGC_DG04564,BMG_DG108310,CCCCCCCCCCCCCCCCCCCCCCC(=O)O,C(CCCCCCCCCCCCCC)CCCCCCCC(O)=O,"InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)",XEZVDURJDFGERA-UHFFFAOYSA-N
BMGC_DG04565,BMG_DG108359,,CSc1ccc2c(c1)sc(N)n2,,GOZAEIXYKHDTMD-UHFFFAOYSA-N
BMGC_DG04566,BMG_DG108383,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)OP(=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)C(=C7[C@@]([C@@H](C(=CC8=NC(=C(C4=N5)C)[C@H](C8(C)C)CCC(=O)N)N7)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.C#N.[Co+3],,"InChI=1S/C62H90N13O14P.CHN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,71,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);1H;/q;;+3/t31-,34-,35-,36-,37+,41+,52-,53+,56-,57+,59-,60+,61+,62+;;/m1../s1",IEFIGIFCGAISLT-IXDQCSSHSA-N
BMGC_DG04567,BMG_DG108400,,c1(-c2c(cc(Cl)cc2)Cl)c(cc(Cl)cc1)Cl,,QORAVNMWUNPXAO-UHFFFAOYSA-N
BMGC_DG04568,BMG_DG108416,,,,
BMGC_DG04569,BMG_DG108463,CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[OH-].[Co+3],,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-3",YOZNUFWCRFCGIH-UHFFFAOYSA-K
BMGC_DG04570,BMG_DG108482,C[C@H]1[C@H]([C@H]([C@@H](C(O1)O)O)O)O,,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1",SHZGCJCMOBCMKK-DHVFOXMCSA-N
BMGC_DG04571,BMG_DG108502,C1CN(CC=C1C2=CC=C(C=C2)Cl)CCCC(=O)C3=CC=C(C=C3)F,C=1(CCN(CC1)CCCC(c2ccc(cc2)F)=O)c3ccc(cc3)Cl,"InChI=1S/C21H21ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-11H,1-2,12-15H2",ZNOLNAPJKOYTHY-UHFFFAOYSA-N
BMGC_DG04572,BMG_DG108513,,,,
BMGC_DG04573,BMG_DG108516,,C(CCN)C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N,,AIXUQKMMBQJZCU-IUCAKERBSA-N
BMGC_DG04574,BMG_DG108527,CCOC1=C(C=C(C=C1)/C=C\2/C3=CC(=C(C=C3CCN2)OCC)OCC)OCC,CCOc1c(ccc(c1)/C=C/2\NCCc3c2cc(c(OCC)c3)OCC)OCC,"InChI=1S/C24H31NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-10,13-16,25H,5-8,11-12H2,1-4H3/b20-13-",OMFNSKIUKYOYRG-MOSHPQCFSA-N
BMGC_DG04575,BMG_DG108540,,c1(c(cccc1)Cl)CC(O)=O,,IUJAAIZKRJJZGQ-UHFFFAOYSA-N
BMGC_DG04576,BMG_DG108552,,CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](Oc3ccc4c(C)cc(=O)oc4c3)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,,UPSFMJHZUCSEHU-JYGUBCOQSA-N
BMGC_DG04577,BMG_DG108569,COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N,S(Nc1c(c(OC)ncn1)OC)(c2ccc(cc2)N)(=O)=O,"InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",PJSFRIWCGOHTNF-UHFFFAOYSA-N
BMGC_DG04578,BMG_DG109041,,,,
BMGC_DG04579,BMG_DG109059,CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O,CCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O,"InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3",KHBJLRRAMCJZLZ-UHFFFAOYSA-N
BMGC_DG04580,BMG_DG109064,,N1(Cc2cc(ccc2SCC1)OC)C(=O)CCN3CCC(CC3)Cc4ccccc4,,KCWGETCFOVJEPI-UHFFFAOYSA-N
BMGC_DG04581,BMG_DG109065,C[C@@]1(CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)C(=C[C@]34C)C=O)O)C)O,[C@@]12([C@@]([C@@]3(C(=CC(=O)C(=C3)C=O)CC1)C)([C@@H](C[C@]4([C@]2(CC[C@]4(C)O)[H])C)O)[H])[H],"InChI=1S/C21H28O4/c1-19-9-12(11-22)16(23)8-13(19)4-5-14-15-6-7-21(3,25)20(15,2)10-17(24)18(14)19/h8-9,11,14-15,17-18,24-25H,4-7,10H2,1-3H3/t14-,15-,17+,18+,19-,20-,21-/m0/s1",AMVODTGMYSRMNP-GNIMZFFESA-N
BMGC_DG04582,BMG_DG109096,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,C1(N[C@@]2([C@H](CCCCC(=O)O)SC[C@@]2(N1)[H])[H])=O,"InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1",YBJHBAHKTGYVGT-ZKWXMUAHSA-N
BMGC_DG04583,BMG_DG109099,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl.C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.Cl,,"InChI=1S/C7H8ClN3O4S2.C6H8ClN7O.ClH/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5;7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;/h1-2,10-11H,3H2,(H2,9,12,13);(H4,8,9,13)(H4,10,11,14,15);1H",QRDAGKVHMGNVHB-UHFFFAOYSA-N
BMGC_DG04584,BMG_DG109104,,O[C@]12c3c(c(Oc4cc(C#N)cnc4)ccc3S(=O)(=O)C1(F)F)[C@@H](F)[C@H]2F,,NKAACNKIKYHOHW-KFWWJZLASA-N
BMGC_DG04585,BMG_DG109179,CC(=O)N1C=CN=C1,n1(cncc1)C(=O)C,"InChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3",VIHYIVKEECZGOU-UHFFFAOYSA-N
BMGC_DG04586,BMG_DG109182,CC1([C@@H](N2[C@H](S1)[C@@](C2=O)(NC(=O)C(C3=CSC=C3)C(=O)O)OC)C(=O)O)C,[C@]1([C@]2(SC(C)(C)[C@@H](N2C1=O)C(O)=O)[H])(NC(C(C(O)=O)c3cscc3)=O)OC,"InChI=1S/C16H18N2O7S2/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23)/t8?,9-,14+,16-/m0/s1",BVCKFLJARNKCSS-DWPRYXJFSA-N
BMGC_DG04587,BMG_DG109191,CC(CN1CCN(CC1)CCOCCO)CN2C3=CC=CC=C3SC4=CC=CC=C42,CC(CN1c2ccccc2Sc3c1cccc3)CN4CCN(CC4)CCOCCO,"InChI=1S/C24H33N3O2S/c1-20(18-26-12-10-25(11-13-26)14-16-29-17-15-28)19-27-21-6-2-4-8-23(21)30-24-9-5-3-7-22(24)27/h2-9,20,28H,10-19H2,1H3",MSYUMPGNGDNTIQ-UHFFFAOYSA-N
BMGC_DG04588,BMG_DG109193,,,,
BMGC_DG04589,BMG_DG109203,,Cc1cc2c(cc1Br)NC(=O)C2=O,,DQZFCBOXZKQQPM-UHFFFAOYSA-N
BMGC_DG04590,BMG_DG109223,C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)N,O=C1c2c3c(C(=O)N1)cccc3c(N)cc2,"InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)",SSMIFVHARFVINF-UHFFFAOYSA-N
BMGC_DG04591,BMG_DG109245,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N,,"InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1",CZGUSIXMZVURDU-JZXHSEFVSA-N
BMGC_DG04592,BMG_DG109258,,,,
BMGC_DG04593,BMG_DG109267,C([C@@H]1[C@H]([C@@H](C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,,"InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6?/m1/s1",RNBGYGVWRKECFJ-VRPWFDPXSA-N
BMGC_DG04594,BMG_DG109271,,[N+](CCOC(=O)CCC)(C)(C)C,,YRIBGSCJIMXMPJ-UHFFFAOYSA-N
BMGC_DG04595,BMG_DG109359,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O)N,,"InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)",YKCWQPZFAFZLBI-UHFFFAOYSA-N
BMGC_DG04596,BMG_DG109361,CCCCC[N+](CCCCC)(CCCCC)CCCCC,[N+](CCCCC)(CCCCC)(CCCCC)CCCCC,"InChI=1S/C20H44N/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3/q+1",GJSGYPDDPQRWPK-UHFFFAOYSA-N
BMGC_DG04597,BMG_DG109362,C1=CC(=CC=C1C(=N)N)N,Nc1ccc(C(N)=N)cc1,"InChI=1S/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10)",WPANETAWYGDRLL-UHFFFAOYSA-N
BMGC_DG04598,BMG_DG109381,C1=CN=CC=C1N,n1ccc(cc1)N,"InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)",NUKYPUAOHBNCPY-UHFFFAOYSA-N
BMGC_DG04599,BMG_DG109392,CCOC(=O)[C@](C)(CC1=CC(=C(C=C1)O)O)N,[C@](C(=O)OCC)(Cc1cc(O)c(cc1)O)(N)C,"InChI=1S/C12H17NO4/c1-3-17-11(16)12(2,13)7-8-4-5-9(14)10(15)6-8/h4-6,14-15H,3,7,13H2,1-2H3/t12-/m0/s1",SVEBYYWCXTVYCR-LBPRGKRZSA-N
BMGC_DG04600,BMG_DG109431,CC1=C(C=C(C=C1)F)C(=O)NC2=CC(=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53)Cl,N1(C(c2c(cc(NC(c3c(ccc(c3)F)C)=O)cc2)Cl)=O)c4c(Cn5c(C1)ccc5)cccc4,"InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)",PPHTXRNHTVLQED-UHFFFAOYSA-N
BMGC_DG04601,BMG_DG109434,C1=CC(=CC=C1C(=O)O)[Hg]Cl,c1(ccc([Hg+])cc1)C(O)=O.[Cl-],"InChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1",YFZOUMNUDGGHIW-UHFFFAOYSA-M
BMGC_DG04602,BMG_DG109449,C[C@H](CC[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,[C@]12([C@]([C@]3([C@]([C@@]4(C(C[C@@H](O)CC4)=CC3)C)([H])CC1)[H])(CC[C@@]2([C@@H](CC[C@H](C(C)C)C)C)[H])[H])C,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",SGNBVLSWZMBQTH-PODYLUTMSA-N
BMGC_DG04603,BMG_DG109472,CC(CC1(C(=O)NC(=O)NC1=O)CC=C)O,C1(C(NC(=O)NC1=O)=O)(CC(C)O)CC=C,"InChI=1S/C10H14N2O4/c1-3-4-10(5-6(2)13)7(14)11-9(16)12-8(10)15/h3,6,13H,1,4-5H2,2H3,(H2,11,12,14,15,16)",VNLMRPAWAMPLNZ-UHFFFAOYSA-N
BMGC_DG04604,BMG_DG109475,C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C,c1ccccc1C(C(OC2CC[N+](CC2)(C)C)=O)c3ccccc3,"InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1",HYJRTXSYDAFGJK-UHFFFAOYSA-N
BMGC_DG04605,BMG_DG109498,FS(F)(F)(F)(F)F,FS(F)(F)(F)(F)F,"InChI=1S/F6S/c1-7(2,3,4,5)6",SFZCNBIFKDRMGX-UHFFFAOYSA-N
BMGC_DG04606,BMG_DG109532,COC1=C(C=CC(=C1)CC(=O)O)O,c1c(c(cc(CC(O)=O)c1)OC)O,"InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)",QRMZSPFSDQBLIX-UHFFFAOYSA-N
BMGC_DG04607,BMG_DG109534,CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O,OC[C@H]([C@H]([C@@H]([C@H](C=O)NC(=O)C)O)O)O,"InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1",MBLBDJOUHNCFQT-LXGUWJNJSA-N
BMGC_DG04608,BMG_DG109553,,n12c(c3cc(OC)ccc3nc1ccc(c2)C(=O)O)=O,,PNVRFQIVLRDFMU-UHFFFAOYSA-N
BMGC_DG04609,BMG_DG109568,COC1=CC=CC=C1CNC(=O)C2=NOC(=C2)C3=CC=CC=C3,,"InChI=1S/C18H16N2O3/c1-22-16-10-6-5-9-14(16)12-19-18(21)15-11-17(23-20-15)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,19,21)",JDNAIBCYTQGWFC-UHFFFAOYSA-N
BMGC_DG04610,BMG_DG109571,C(CO)O,C(CO)O,"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2",LYCAIKOWRPUZTN-UHFFFAOYSA-N
BMGC_DG04611,BMG_DG109594,,c1(cc(Cc2cc(c(O)c(c2)C)C(O)=O)cc(c1O)C)C(O)=O,,UPLNCYRSCVJILM-UHFFFAOYSA-N
BMGC_DG04612,BMG_DG109597,,,,
BMGC_DG04613,BMG_DG109602,CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3,N1([C@H]2C[C@H](OC(C(c3ccccc3)CO)=O)C[C@@H]1CC2)C,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?",RKUNBYITZUJHSG-PJPHBNEVSA-N;RKUNBYITZUJHSG-SPUOUPEWSA-N
BMGC_DG04614,BMG_DG109604,,c1cc(O)ccc1C(=O)NN,,ZMZGIVVRBMFZSG-UHFFFAOYSA-N
BMGC_DG04615,BMG_DG109613,,,,
BMGC_DG04616,BMG_DG109619,C1CCN(CC1)C=O,N1(CCCCC1)C=O,"InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2",FEWLNYSYJNLUOO-UHFFFAOYSA-N
BMGC_DG04617,BMG_DG109622,,N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O,,VDLOJRUTNRJDJO-ZYNSJIGGSA-N
BMGC_DG04618,BMG_DG109623,,n1(cc(CC)c(=O)[nH]c1=O)[C@H]2[C@@H](F)[C@H](O)[C@@H](CO)O2,,SWFJAJRDLUUIOA-IBCQBUCCSA-N
BMGC_DG04619,BMG_DG109673,,,,
BMGC_DG04620,BMG_DG109674,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)OC)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].[Na+],[Na+].S(=O)(=O)([O-])c1c2c(c(O)c(cc2)/N=N/c3c(OC)cc(-c4cc(OC)c(/N=N/c5c(O)c6c(c(S(=O)(=O)[O-])cc(c6N)S(=O)(=O)[O-])cc5)cc4)cc3)c(N)c(S(=O)(=O)[O-])c1.[Na+].[Na+].[Na+],"InChI=1S/C34H28N6O16S4.4Na/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",BPHHNXJPFPEJOF-UHFFFAOYSA-J;BPHHNXJPFPEJOF-GPTZEZBUSA-J
BMGC_DG04621,BMG_DG109688,,N=C(N)c1cc2c(I)cccc2s1,,YERQOXAYAFWFEJ-UHFFFAOYSA-N
BMGC_DG04622,BMG_DG109692,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,[C@@H]1([C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O2)O)O)O)O1)O)O)n3ccc(=O)[nH]c3=O,"InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1",HDYANYHVCAPMJV-LXQIFKJMSA-N
BMGC_DG04623,BMG_DG109699,C1=C(C(=C(C(=C1I)NC(=O)COCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I,OC(=O)c1c(I)cc(I)c(NC(=O)COCC(=O)Nc2c(I)cc(I)c(C(=O)O)c2I)c1I,"InChI=1S/C18H10I6N2O7/c19-5-1-7(21)15(13(23)11(5)17(29)30)25-9(27)3-33-4-10(28)26-16-8(22)2-6(20)12(14(16)24)18(31)32/h1-2H,3-4H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)",FZDZULUFHNDEDJ-UHFFFAOYSA-N
BMGC_DG04624,BMG_DG109718,,[nH]1cnc2n(c(n(c(c12)=O)CCC)=O)C,,UEGOAAXVUJWIHJ-UHFFFAOYSA-N
BMGC_DG04625,BMG_DG109727,CC(=O)[O-],C([O-])(=O)C,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1",QTBSBXVTEAMEQO-UHFFFAOYSA-M
BMGC_DG04626,BMG_DG109736,C1=CC(=C(C=C1O)S(=O)(=O)O)O,Oc1ccc(c(c1)S(=O)(=O)O)O,"InChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)",IKQCSJBQLWJEPU-UHFFFAOYSA-N
BMGC_DG04627,BMG_DG109742,C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO)O)c(c(C(=O)N)nc1)N,"InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1",RTRQQBHATOEIAF-UUOKFMHZSA-N
BMGC_DG04628,BMG_DG109755,CCCCCCCCCC1=CC=C(C=C1)O,,"InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3",IGFHQQFPSIBGKE-UHFFFAOYSA-N
BMGC_DG04629,BMG_DG109756,C1=CC=C2C(=C1)C(=O)NS2,c12c(cccc1)s[nH]c2=O,"InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)",DMSMPAJRVJJAGA-UHFFFAOYSA-N
BMGC_DG04630,BMG_DG109769,C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)N,c12c(c3c(cccc3)cc1)cc(N)c4c2cccc4,"InChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2",KIVUHCNVDWYUNP-UHFFFAOYSA-N
BMGC_DG04631,BMG_DG109770,,c1(c(ccc(c1)CC(N)C)Cl)Cl,,PUFDZMUCDFIRQY-UHFFFAOYSA-N
BMGC_DG04632,BMG_DG109777,,C(CCCCCCCCCCCBr)(=O)O,,YYKBWYBUCFHYPR-UHFFFAOYSA-N
BMGC_DG04633,BMG_DG109782,,,,
BMGC_DG04634,BMG_DG109783,,,,
BMGC_DG04635,BMG_DG109791,CC(C)NC[C@@H](COC1=CC=C(C=C1)CC(=O)N)O,C(=O)(Cc1ccc(OC[C@H](CNC(C)C)O)cc1)N,"InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m0/s1",METKIMKYRPQLGS-LBPRGKRZSA-N
BMGC_DG04636,BMG_DG109814,,,,
BMGC_DG04637,BMG_DG109828,,C(CCNC(=O)c1ccc(cc1)S(=O)(=O)N)CN,,ZDYFRIZTYRFPJC-UHFFFAOYSA-N
BMGC_DG04638,BMG_DG109830,CCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C.Cl,Cl.C(Nc1c(cccc1C)C)([C@H]2N(CCC)CCCC2)=O,"InChI=1S/C17H26N2O.ClH/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3;/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20);1H/t15-;/m0./s1",NDNSIBYYUOEUSV-RSAXXLAASA-N
BMGC_DG04639,BMG_DG109831,CCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C,C(Nc1c(cccc1C)C)([C@H]2N(CCC)CCCC2)=O,"InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1",ZKMNUMMKYBVTFN-HNNXBMFYSA-N
BMGC_DG04640,BMG_DG109842,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4,,"InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/p-1/t26-,27-/m1/s1",XUKUURHRXDUEBC-KAYWLYCHSA-M
BMGC_DG04641,BMG_DG109843,,,,
BMGC_DG04642,BMG_DG109861,,c12c3-c4ccccc4-c1cccc2c(N)cc3,,VHGJAFIHUSTRGB-UHFFFAOYSA-N
BMGC_DG04643,BMG_DG109862,CC(=O)O,C(=O)(O)C,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",QTBSBXVTEAMEQO-UHFFFAOYSA-N
BMGC_DG04644,BMG_DG109865,CC[C@@H](C1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4,,"InChI=1S/C25H22N2O/c1-2-22(18-11-5-3-6-12-18)27-25(28)21-17-24(19-13-7-4-8-14-19)26-23-16-10-9-15-20(21)23/h3-17,22H,2H2,1H3,(H,27,28)/t22-/m0/s1",MXNGYQJJYRVGGJ-QFIPXVFZSA-N
BMGC_DG04645,BMG_DG109873,C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O,[C@H]1(O)[C@@H](O)[C@@H](CO)NC[C@@H]1O,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1",LXBIFEVIBLOUGU-DPYQTVNSSA-N
BMGC_DG04646,BMG_DG109881,CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F,c1(nc(c([nH]1)-c2ccncc2)-c3ccc(cc3)F)-c4ccc(cc4)[S+]([O-])C,"InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)",CDMGBJANTYXAIV-UHFFFAOYSA-N
BMGC_DG04647,BMG_DG109889,CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7,C1(=C(c2cn(C)c3c2cccc3)C(=O)NC1=O)c4cn(C5CCN(CC5)Cc6ncccc6)c7c4cccc7,"InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)",AXRCEOKUDYDWLF-UHFFFAOYSA-N
BMGC_DG04648,BMG_DG109907,CC(C)OP(=O)(C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)(OC(C)C)OC(C)C)OC(C)C,CC(C)OP(=O)(C(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)P(=O)(OC(C)C)OC(C)C)OC(C)C,"InChI=1S/C28H52O7P2/c1-18(2)32-36(30,33-19(3)4)25(37(31,34-20(5)6)35-21(7)8)17-22-15-23(27(9,10)11)26(29)24(16-22)28(12,13)14/h15-16,18-21,25,29H,17H2,1-14H3",YLJOVCWVJCDPLN-UHFFFAOYSA-N
BMGC_DG04649,BMG_DG109908,,c1(ccc(cc1)CCNc2nc3n(c(n2)N)nc(n3)-c4occc4)O,,PWTBZOIUWZOPFT-UHFFFAOYSA-N
BMGC_DG04650,BMG_DG109909,C1=CC=C(C=C1)CCN2C3=C(C=N2)C4=NC(=NN4C(=N3)N)C5=CC=CO5,c1(n2c(c3c(n1)n(nc3)CCc4ccccc4)nc(n2)-c5occc5)N,"InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)",UTLPKQYUXOEJIL-UHFFFAOYSA-N
BMGC_DG04651,BMG_DG109930,,[nH]1c2c(ccc(c2)OC)c(c1)CCN,,VOCGEKMEZOPDFP-UHFFFAOYSA-N
BMGC_DG04652,BMG_DG109932,,c1(cc(c(Cl)cc1Cl)C(O)=O)S(N)(=O)=O,,ZSHHRBYVHTVRFK-UHFFFAOYSA-N
BMGC_DG04653,BMG_DG109944,CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO,N1(c2c(ccc(c2)C(=O)C)Sc3c1cccc3)CCCN4CCN(CC4)CCO,"InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3",WNTYBHLDCKXEOT-UHFFFAOYSA-N
BMGC_DG04654,BMG_DG109956,COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC,c12c(ncnc1cc(c(c2)OCCOC)OCCOC)Nc3cc(C#C)ccc3,"InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)",AAKJLRGGTJKAMG-UHFFFAOYSA-N
BMGC_DG04655,BMG_DG109959,CC(C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N,C([C@@H]1C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N1)c2ccccc2,"InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1",AMLYAMJWYAIXIA-VWNVYAMZSA-N
BMGC_DG04656,BMG_DG109977,,c12c(c(cc(o1)C)=O)c(c3c(cc(cc3c2)OC)OC)O,,HFPQKJMLIONCGP-UHFFFAOYSA-N
BMGC_DG04657,BMG_DG109979,,O1c2c(c(O)cc(c2)O)C[C@H]([C@H]1c3cc(O)c(c(c3)O)OC)O,,ITDYPNOEEHONAH-UKRRQHHQSA-N
BMGC_DG04658,BMG_DG109992,CC=O,O=CC,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",IKHGUXGNUITLKF-UHFFFAOYSA-N
BMGC_DG04659,BMG_DG110036,COC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)OC,[C@@H](C(=O)O)(C(c1ccccc1)(OC)c2ccccc2)Oc3nc(OC)cc(n3)OC,"InChI=1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1",FEJVSJIALLTFRP-LJQANCHMSA-N
BMGC_DG04660,BMG_DG110037,,c1cc(ccc1C)C=2c3cc(ccc3C(CC2)(C)C)C#Cc4ccc(cc4)C(O)=O,,NCEQLLNVRRTCKJ-UHFFFAOYSA-N
BMGC_DG04661,BMG_DG110041,,C(CCCCCCCCCCCN)N,,QFTYSVGGYOXFRQ-UHFFFAOYSA-N
BMGC_DG04662,BMG_DG110053,CCCCN1CCC(CC1)CNC(=O)C2=C3N(CCCO3)C4=CC=CC=C42,c12c(c3ccccc3n1CCCO2)C(NCC4CCN(CCCC)CC4)=O,"InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)",KVCSJPATKXABRQ-UHFFFAOYSA-N
BMGC_DG04663,BMG_DG110067,CCCC1=CC(=C(C=C1)O)OC,c1cc(cc(c1O)OC)CCC,"InChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3",PXIKRTCSSLJURC-UHFFFAOYSA-N
BMGC_DG04664,BMG_DG110074,,c1(c(c(cc2C(c3cc(cc(c3C(c21)=O)O)OC)=O)C)O)O,,IOPGGNYCFGEWPF-UHFFFAOYSA-N
BMGC_DG04665,BMG_DG110083,C1CCCN(CC1)CCCOC2=CC=C(C=C2)CCCCN3CCC[C@@H]3CN4C(=O)C5=CC=CC=C5C(=N4)CC6=CC=C(C=C6)Cl,C1CCCN(CC1)CCCOc2ccc(CCCCN3CCC[C@@H]3Cn4c(=O)c5ccccc5c(Cc6ccc(cc6)Cl)n4)cc2,"InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1",YANGEESWIGIKOP-UUWRZZSWSA-N
BMGC_DG04666,BMG_DG110095,,,,
BMGC_DG04667,BMG_DG110103,,C(CS(O)(=O)=O)[C@H](N)C(=O)O,,VBOQYPQEPHKASR-VKHMYHEASA-N
BMGC_DG04668,BMG_DG110114,,,,
BMGC_DG04669,BMG_DG110116,,,,
BMGC_DG04670,BMG_DG110120,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,C1(NC(=O)NC1(c2ccccc2)c3ccccc3)=O,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)",CXOFVDLJLONNDW-UHFFFAOYSA-N
BMGC_DG04671,BMG_DG110136,CC(C)(C1=CC=CC=C1C2=CC3=C(C=C2)N=C(N3)/C=C/C4=CC=C(C=C4)C(F)(F)F)O,c1(c(cccc1)-c2ccc3nc([nH]c3c2)/C=C/c4ccc(cc4)C(F)(F)F)C(O)(C)C,"InChI=1S/C25H21F3N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28/h3-15,31H,1-2H3,(H,29,30)/b14-9+",ORDHXXHTBUZRCN-NTEUORMPSA-N
BMGC_DG04672,BMG_DG110150,,,,
BMGC_DG04673,BMG_DG110153,,,,
BMGC_DG04674,BMG_DG110155,,,,
BMGC_DG04675,BMG_DG110156,,,,
BMGC_DG04676,BMG_DG110158,,,,
BMGC_DG04677,BMG_DG110162,,,,
BMGC_DG04678,BMG_DG110163,,,,
BMGC_DG04679,BMG_DG110166,,,,
BMGC_DG04680,BMG_DG110167,,,,
BMGC_DG04681,BMG_DG110171,,,,
BMGC_DG04682,BMG_DG110175,,,,
BMGC_DG04683,BMG_DG110183,,,,
BMGC_DG04684,BMG_DG110184,,,,
BMGC_DG04685,BMG_DG110186,,,,
BMGC_DG04686,BMG_DG110188,,,,
BMGC_DG04687,BMG_DG110190,,,,
BMGC_DG04688,BMG_DG110193,,,,
BMGC_DG04689,BMG_DG110195,,,,
BMGC_DG04690,BMG_DG110196,,,,
BMGC_DG04691,BMG_DG110197,,C(CCC[C@@H](C(O)=O)N)NC(O)=O,,PWIKLEYMFKCERQ-YFKPBYRVSA-N
BMGC_DG04692,BMG_DG110200,,,,
BMGC_DG04693,BMG_DG110201,,,,
BMGC_DG04694,BMG_DG110206,,,,
BMGC_DG04695,BMG_DG110209,,,,
BMGC_DG04696,BMG_DG110213,,,,
BMGC_DG04697,BMG_DG110214,,,,
BMGC_DG04698,BMG_DG110219,,,,
BMGC_DG04699,BMG_DG110220,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,,"InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m0/s1",LVNGJLRDBYCPGB-KDXMTYKHSA-N
BMGC_DG04700,BMG_DG110224,,,,
BMGC_DG04701,BMG_DG110229,,,,
BMGC_DG04702,BMG_DG110231,,,,
BMGC_DG04703,BMG_DG110232,,,,
BMGC_DG04704,BMG_DG110233,,,,
BMGC_DG04705,BMG_DG110234,,,,
BMGC_DG04706,BMG_DG110235,,,,
BMGC_DG04707,BMG_DG110239,,,,
BMGC_DG04708,BMG_DG110244,,O=C(N)CSC[C@@H](C(=O)O)N,,VFKYKPOTSJWPIU-VKHMYHEASA-N
BMGC_DG04709,BMG_DG110246,,,,
BMGC_DG04710,BMG_DG110247,,C1(C(/N=c\2/n(CCOC)c(C)c(C)s2)=O)C(C1(C)C)(C)C,,JKGIMVBQKSRTGX-VKAVYKQESA-N
BMGC_DG04711,BMG_DG110248,,,,
BMGC_DG04712,BMG_DG110249,C1=CC2=C(C=CC(=C2)CN3C4=NC(=CN=C4N=N3)C5=CN(N=C5)CCO)N=C1,C(Cn1ncc(c1)-c2nc3c(nc2)nnn3Cc4cc5cccnc5cc4)O,"InChI=1S/C19H16N8O/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16/h1-5,8-10,12,28H,6-7,11H2",PDMUGYOXRHVNMO-UHFFFAOYSA-N
BMGC_DG04713,BMG_DG110251,,C(C)(=O)SCC(=O)c1cnc(cc1)NS(=O)(=O)c2ccc(cc2)OCCCN(C)C,,KXWBUKMWZKTHCV-UHFFFAOYSA-N
BMGC_DG04714,BMG_DG110253,C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3,,"InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)",HFNKQEVNSGCOJV-UHFFFAOYSA-N
BMGC_DG04715,BMG_DG110256,CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6,c1(N2CCOCC2)nc(-c3cccc4[nH]ncc34)nc5cc(CN6CCN(S(C)(=O)=O)CC6)sc15,"InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)",LHNIIDJUOCFXAP-UHFFFAOYSA-N
BMGC_DG04716,BMG_DG110262,,,,
BMGC_DG04717,BMG_DG110277,,,,
BMGC_DG04718,BMG_DG110285,C[C@]12CC[C@H]3C([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F,,"InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29?,30+,41?/m1/s1",VWUXBMIQPBEWFH-LQKBAPIOSA-N
BMGC_DG04719,BMG_DG110299,,,,
BMGC_DG04720,BMG_DG110301,,,,
BMGC_DG04721,BMG_DG110303,,,,
BMGC_DG04722,BMG_DG110319,NS(=O)(=O)[O-],NS(=O)([O-])=O,"InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)/p-1",IIACRCGMVDHOTQ-UHFFFAOYSA-M
BMGC_DG04723,BMG_DG110326,,c1cc(C([O-])=O)ccc1Br,,TUXYZHVUPGXXQG-UHFFFAOYSA-M
BMGC_DG04724,BMG_DG110339,,OC(=O)C[C@@H](C)NC(=O)CN1C(=O)[C@H](CCC2CCNCC2)CCC1,,SFFMYDBKYYBJRY-HIFRSBDPSA-N
BMGC_DG04725,BMG_DG110342,,,,
BMGC_DG04726,BMG_DG110349,,C(c1ccc(cc1)N(n2cnnc2)Cc3ccc(cc3)Br)#N,,GGPPBTSXFROGAE-UHFFFAOYSA-N
BMGC_DG04727,BMG_DG110364,C1CC(N(C1)C(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)C(CC3=CC=C(C=C3)O)N)C(=O)NC(CCC(=O)N)C(=O)O,,"InChI=1S/C29H41N7O9/c30-18(15-16-5-7-17(37)8-6-16)27(42)35-13-1-3-21(35)25(40)33-19(9-11-23(31)38)28(43)36-14-2-4-22(36)26(41)34-20(29(44)45)10-12-24(32)39/h5-8,18-22,37H,1-4,9-15,30H2,(H2,31,38)(H2,32,39)(H,33,40)(H,34,41)(H,44,45)",HZWWPUTXBJEENE-UHFFFAOYSA-N
BMGC_DG04728,BMG_DG110368,C1=C(C=C(C2=C1NC(=CC2=O)C(=O)O)Cl)Cl,c1(cc(C(O)=O)nc2cc(cc(c21)Cl)Cl)O,"InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)",BGKFPRIGXAVYNX-UHFFFAOYSA-N
BMGC_DG04729,BMG_DG110377,CCCC1=C(C=CC=C1OC2=CC=CC=C2C(=O)O)OCCCOC3=CC(=C(C=C3CC)C4=CC=C(C=C4)F)O,c1(C(O)=O)c(Oc2c(c(OCCCOc3cc(O)c(cc3CC)-c4ccc(cc4)F)ccc2)CCC)cccc1,"InChI=1S/C33H33FO6/c1-3-9-25-29(12-7-13-30(25)40-31-11-6-5-10-26(31)33(36)37)38-18-8-19-39-32-21-28(35)27(20-22(32)4-2)23-14-16-24(34)17-15-23/h5-7,10-17,20-21,35H,3-4,8-9,18-19H2,1-2H3,(H,36,37)",YFIZRWPXUYFCSN-UHFFFAOYSA-N
BMGC_DG04730,BMG_DG110390,,CCCCN(CC)c1nc(C)nc2c1c(C)c(C)n2-c3c(C)cc(C)cc3C,,IXPROWGEHNVJOY-UHFFFAOYSA-N
BMGC_DG04731,BMG_DG110391,CCC[C@H](C1=CC2=C(C=C1)OCO2)NC(=O)N3[C@H](C(C3=O)(CC)CC)OC4=CC=C(C=C4)C(=O)N5CCN(CC5)C,N1(C(=O)C([C@@H]1Oc2ccc(C(N3CCN(CC3)C)=O)cc2)(CC)CC)C(N[C@@H](c4cc5OCOc5cc4)CCC)=O,"InChI=1S/C31H40N4O6/c1-5-8-24(22-11-14-25-26(19-22)40-20-39-25)32-30(38)35-28(37)31(6-2,7-3)29(35)41-23-12-9-21(10-13-23)27(36)34-17-15-33(4)16-18-34/h9-14,19,24,29H,5-8,15-18,20H2,1-4H3,(H,32,38)/t24-,29+/m1/s1",ZSDCIRYNTCVTMF-GIGWZHCTSA-N
BMGC_DG04732,BMG_DG110394,CC(=O)N,C(=O)(N)C,"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)",DLFVBJFMPXGRIB-UHFFFAOYSA-N
BMGC_DG04733,BMG_DG110395,,C(#CCCCC(=O)O)CC#CCC#CCC#CCCCCC,,MGLDCXPLYOWQRP-UHFFFAOYSA-N
BMGC_DG04734,BMG_DG110407,CC(C)(C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N2CCC3(CC2)CN(C4=CC=CC=C34)S(=O)(=O)C)N,N1(S(=O)(=O)C)c2c(C3(C1)CCN(CC3)C([C@H](NC(C(N)(C)C)=O)COCc4ccccc4)=O)cccc2,"InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1",UMUPQWIGCOZEOY-JOCHJYFZSA-N
BMGC_DG04735,BMG_DG110417,CN1C[C@H]2CC(C[C@@H](C1)N2C)NC(=O)C3=NNC4=CC=CC=C43,[nH]1nc(c2ccccc12)C(=O)N[C@@H]3C[C@@H]4CN(C[C@H](C3)N4C)C,"InChI=1S/C17H23N5O/c1-21-9-12-7-11(8-13(10-21)22(12)2)18-17(23)16-14-5-3-4-6-15(14)19-20-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,23)(H,19,20)/t11?,12-,13+",MHNNVDILNTUWNS-UHFFFAOYSA-N;MHNNVDILNTUWNS-YHWZYXNKSA-N
BMGC_DG04736,BMG_DG110419,,,,
BMGC_DG04737,BMG_DG110420,CC1=C(C=CC=N1)OC[C@@H]2CCCN2,C1CCN[C@@H]1COc2cccnc2C,"InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1",YRVIKLBSVVNSHF-JTQLQIEISA-N
BMGC_DG04738,BMG_DG110422,,N1(C([C@H]2N(C(NCc3ccccc3)=O)CCC2)=O)[C@H](C(=O)CO)CCC1,,ICULFJDHZQTNRB-HOTGVXAUSA-N
BMGC_DG04739,BMG_DG110425,,CCCCCCCCCN(CC(C)(C)C)C(=O)N[C@@H]1[C@H](CCCC1)OC(=O)CCNC(=O)[C@H]2C(COC(O2)(C)C)(C)C,,NWLFOBZKYXKBOF-NSVAZKTRSA-N
BMGC_DG04740,BMG_DG110430,CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC(C)C)NC3=CC=CC(=C3)C(=O)C4=CN(C5=CC=CC=C54)CCCC(=O)O,n1(cc(c2ccccc12)C(c3cc(ccc3)NC(c4ccc(cc4)CC(C)C)c5ccc(cc5)CC(C)C)=O)CCCC(=O)O,"InChI=1S/C40H44N2O3/c1-27(2)23-29-14-18-31(19-15-29)39(32-20-16-30(17-21-32)24-28(3)4)41-34-10-7-9-33(25-34)40(45)36-26-42(22-8-13-38(43)44)37-12-6-5-11-35(36)37/h5-7,9-12,14-21,25-28,39,41H,8,13,22-24H2,1-4H3,(H,43,44)",LACIBZRFAYFTOV-UHFFFAOYSA-N
BMGC_DG04741,BMG_DG110431,,C([C@H]1CC(=CCC1)c2ccc(cc2)O)N3CC=C(CC3)c4ccccc4,,GHLIXCKZQCRDAX-LJQANCHMSA-N
BMGC_DG04742,BMG_DG110438,CCCOC1=CC2=C(C=C1)[C@@H]([C@H]([C@@H]2C3=C(C=C(C=C3)OC)OCCO)C(=O)O)C4=CC5=C(C=C4)OCO5,[C@H]1([C@H]([C@@H](c2cc(ccc12)OCCC)c3c(cc(cc3)OC)OCCO)C(=O)O)c4cc5OCOc5cc4,"InChI=1S/C29H30O8/c1-3-11-34-19-6-7-20-22(14-19)27(21-8-5-18(33-2)15-24(21)35-12-10-30)28(29(31)32)26(20)17-4-9-23-25(13-17)37-16-36-23/h4-9,13-15,26-28,30H,3,10-12,16H2,1-2H3,(H,31,32)/t26-,27+,28+/m0/s1",GLCKXJLCYIJMRB-UPRLRBBYSA-N
BMGC_DG04743,BMG_DG110453,,c1(cc2c(cc1)ccc(=O)o2)OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C,,GNMUGVNEWCZUAA-WOWYBKFKSA-N
BMGC_DG04744,BMG_DG110458,,O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1Nc4ccccc4,,WEKZVKNLORTLQV-UHFFFAOYSA-N
BMGC_DG04745,BMG_DG110460,C1=CC=C2C(=C1)C(=CC=C2O)N,c12c(c(ccc1N)O)cccc2,"InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2",ABJQKDJOYSQVFX-UHFFFAOYSA-N
BMGC_DG04746,BMG_DG110479,CC(C)C1=C(N(C(=N1)COC(=O)N)CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl,c1(n(c(COC(=O)N)nc1C(C)C)Cc2ccncc2)Sc3cc(Cl)cc(c3)Cl,"InChI=1S/C20H20Cl2N4O2S/c1-12(2)18-19(29-16-8-14(21)7-15(22)9-16)26(10-13-3-5-24-6-4-13)17(25-18)11-28-20(23)27/h3-9,12H,10-11H2,1-2H3,(H2,23,27)",YQXCVAGCMNFUMQ-UHFFFAOYSA-N
BMGC_DG04747,BMG_DG110520,,O=C(N)N(O)[C@@H](C#Cc1ccc(o1)Oc2ccc(cc2)F)C,,OLZHFFKRBCZHHT-SNVBAGLBSA-N
BMGC_DG04748,BMG_DG110549,,c12c(C(c3ccccc3C1=O)=O)c(ccc2N)Cl,,AWACQBFBMROGQC-UHFFFAOYSA-N
BMGC_DG04749,BMG_DG110594,,O=S(=O)(O)c1c2c(c(N(C)C)ccc2)ccc1,,BBEQQKBWUHCIOU-UHFFFAOYSA-N
BMGC_DG04750,BMG_DG110599,C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl,C=1(c2c(NC(CN1)=O)ccc(c2)Cl)c3c(Cl)cccc3,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)",CHIFCDOIPRCHCF-UHFFFAOYSA-N
BMGC_DG04751,BMG_DG110601,,O(C)c1c2c(c(CCN)cc1OC)SSSSS2,,HIKCOAGMCNIBMP-UHFFFAOYSA-N
BMGC_DG04752,BMG_DG110606,,c1(nc(c(nc1N)N(C)C)Cl)C(NC(N)=N)=O,,RXMUPNVSYKGKMY-UHFFFAOYSA-N
BMGC_DG04753,BMG_DG110616,COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)OCCN5CCCCC5,c12c(c(c(s1)-c3ccc(cc3)OC)Oc4ccc(cc4)OCCN5CCCCC5)ccc(c2)O,"InChI=1S/C28H29NO4S/c1-31-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)34-28)33-24-12-10-23(11-13-24)32-18-17-29-15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3",MCGDSOGUHLTADD-UHFFFAOYSA-N
BMGC_DG04754,BMG_DG110618,CN([C@H](CN1CC[C@@H](C1)O)C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4,C(C(c1ccccc1)c2ccccc2)(=O)N(C)[C@@H](c3ccccc3)CN4C[C@H](CC4)O,"InChI=1S/C27H30N2O2/c1-28(25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29)27(31)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26,30H,17-20H2,1H3/t24-,25+/m0/s1",JHLHNYVMZCADTC-LOSJGSFVSA-N
BMGC_DG04755,BMG_DG110621,CC(=O)O[C@H]1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N,c1cc2c(cc1)C[C@H](OC(C)=O)c3c(cccc3)N2C(=O)N,"InChI=1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21)/t16-/m0/s1",QIALRBLEEWJACW-INIZCTEOSA-N
BMGC_DG04756,BMG_DG110634,,P(CC[C@@H](C(O)=O)N)(O)(O)=O,,DDOQBQRIEWHWBT-VKHMYHEASA-N
BMGC_DG04757,BMG_DG110635,C1CCCN(CC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N,,"InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)",RQQJJXVETXFINY-UHFFFAOYSA-N
BMGC_DG04758,BMG_DG110644,C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O,O[C@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)/C=C/c2ccc(O)c(O)c2)O)O)C(O)=O,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",CWVRJTMFETXNAD-JUHZACGLSA-N
BMGC_DG04759,BMG_DG110656,CCN(C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N)C(C)C,c1(nc(N)c(nc1Cl)C(NC(N)=N)=O)N(CC)C(C)C,"InChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)",QDERNBXNXJCIQK-UHFFFAOYSA-N
BMGC_DG04760,BMG_DG110680,C[C@@]12CC[C@H]3[C@]([C@@]14[C@H](O4)C(=O)O[C@H]2C5=COC=C5)(C(=O)C[C@@H]6[C@@]37COC(=O)C[C@@H]7OC6(C)C)C,[C@]123[C@H](O1)C(O[C@H]([C@]2(C)CC[C@@]4([C@]56[C@H](CC(OC5)=O)OC([C@]6([H])CC([C@@]34C)=O)(C)C)[H])c7ccoc7)=O,"InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1",KBDSLGBFQAGHBE-MSGMIQHVSA-N
BMGC_DG04761,BMG_DG110681,,C(=O)(O)[C@@H]1CCCNC1,,XJLSEXAGTJCILF-RXMQYKEDSA-N
BMGC_DG04762,BMG_DG110689,,C(CN)c1c2c([nH]c1)ccc(OCCCCCCCCC)c2,,YHSMSRREJYOGQJ-UHFFFAOYSA-N
BMGC_DG04763,BMG_DG110693,,,,
BMGC_DG04764,BMG_DG110708,C1CC2=NC3=CC=CC=C3C(=C2CC1O)N,c1(c2c(CCC(C2)O)nc3c1cccc3)N,"InChI=1S/C13H14N2O/c14-13-9-3-1-2-4-11(9)15-12-6-5-8(16)7-10(12)13/h1-4,8,16H,5-7H2,(H2,14,15)",PYCYYSWVRAEADT-UHFFFAOYSA-N
BMGC_DG04765,BMG_DG110709,C1CC(C2=NC3=CC=CC=C3C(=C2C1)N)O,c1(c2c(C(CCC2)O)nc3c1cccc3)N,"InChI=1S/C13H14N2O/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16/h1-2,4,6,11,16H,3,5,7H2,(H2,14,15)",BISIFJGUTDFVFR-UHFFFAOYSA-N
BMGC_DG04766,BMG_DG110719,,c12c(cccn1)[nH]c(n2)N,,KXQPVJRJUJJWQJ-UHFFFAOYSA-N
BMGC_DG04767,BMG_DG110732,C1=CC2=C(C=C1C(=[NH2+])N)NC=N2,,"InChI=1S/C8H8N4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-4H,(H3,9,10)(H,11,12)/p+1",UHGFPMUGEQINGV-UHFFFAOYSA-O
BMGC_DG04768,BMG_DG110737,,c12c(ccc([nH]1)=S)cccc2,,KXZSVYHFYHTNBI-UHFFFAOYSA-N
BMGC_DG04769,BMG_DG110750,C[C@@]12C3=CC=CC=C3C[C@@H](N1)C4=CC=CC=C24,[C@@]12(c3c(cccc3)C[C@H](c4c1cccc4)N2)C,"InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1",LBOJYSIDWZQNJS-CVEARBPZSA-N
BMGC_DG04770,BMG_DG110752,,c1cc-2c(N3CCNCC3)nc[nH]c2n1,,LZSXQBNNRGZPES-UHFFFAOYSA-N
BMGC_DG04771,BMG_DG110777,,c1(cc(ccc1)C)OCC(CNC(C)C)O,,NXQMNKUGGYNLBY-UHFFFAOYSA-N
BMGC_DG04772,BMG_DG110787,,C(c1cc([C@H](C(=O)O)C)ccc1)(=O)c2ccccc2,,DKYWVDODHFEZIM-LLVKDONJSA-N
BMGC_DG04773,BMG_DG110790,,O(c1ccc(CC(=O)N)cc1)C[C@H](O)CNC(C)C,,METKIMKYRPQLGS-GFCCVEGCSA-N
BMGC_DG04774,BMG_DG110793,,c12c([nH]nc1)cccc2[N+](=O)[O-],,WBTVZVUYPVQEIF-UHFFFAOYSA-N
BMGC_DG04775,BMG_DG110797,,NS(=O)(=O)c1ccc(NC(=O)CN2CCOCC2)cc1,,ZKUIDNFBWWVULC-UHFFFAOYSA-N
BMGC_DG04776,BMG_DG110799,CC1=C(C(=CC=C1)C)OC[C@@H](C)N,c1(OC[C@H](N)C)c(cccc1C)C,"InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3/t10-/m1/s1",VLPIATFUUWWMKC-SNVBAGLBSA-N
BMGC_DG04777,BMG_DG110809,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,O[C@H]1[C@H](O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]1O)CO,"InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1",HSCJRCZFDFQWRP-ABVWGUQPSA-N
BMGC_DG04778,BMG_DG110817,,NC(=O)c1cncc(Br)c1,,YOQRXZIMSKLRCY-UHFFFAOYSA-N
BMGC_DG04779,BMG_DG110823,C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN,c1cc2[nH]cc(c2cc1C(N)=O)CCN,"InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)",WKZLNEWVIAGNAW-UHFFFAOYSA-N
BMGC_DG04780,BMG_DG110824,,c12c(cc(C=C(C#N)C#N)cc1)OCO2,,AWMFEYQOEQDZKO-UHFFFAOYSA-N
BMGC_DG04781,BMG_DG110826,,c12c(C=C(C#N)C#N)cccc1cccc2,,HNVAUTUJXUMGPH-UHFFFAOYSA-N
BMGC_DG04782,BMG_DG110837,CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO,N1(c2c(ccc(c2)C(=O)CC)Sc3c1cccc3)CCCN4CCN(CC4)CCO,"InChI=1S/C24H31N3O2S/c1-2-22(29)19-8-9-24-21(18-19)27(20-6-3-4-7-23(20)30-24)11-5-10-25-12-14-26(15-13-25)16-17-28/h3-4,6-9,18,28H,2,5,10-17H2,1H3",XZSMZRXAEFNJCU-UHFFFAOYSA-N
BMGC_DG04783,BMG_DG110839,,Cc1ccc(Cl)c2c1NC(=O)C2=O,,MWCJCUFHPFXQLS-UHFFFAOYSA-N
BMGC_DG04784,BMG_DG110847,,[nH]1cc(CCC(=O)O)c2c1ccc(c2)OC,,ZLSZCJIWILJKMR-UHFFFAOYSA-N
BMGC_DG04785,BMG_DG110849,C[N+]1=CCC[C@H]1C2=CN=CC=C2,,"InChI=1S/C10H13N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6-8,10H,3,5H2,1H3/q+1/t10-/m0/s1",GTQXYYYOJZZJHL-JTQLQIEISA-N
BMGC_DG04786,BMG_DG110867,COC1=CC(=CC(=C1)O)CCC2=CC=CC=C2O,COc1cc(CCc2ccccc2O)cc(c1)O,"InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3",IUMFLNFLJUUODE-UHFFFAOYSA-N
BMGC_DG04787,BMG_DG110883,,,,
BMGC_DG04788,BMG_DG110905,,[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(O[C@@H]([C@@H]([C@@H](O)C=O)O)[C@H](O)CO)[H],,DKXNBNKWCZZMJT-WUJBLJFYSA-N
BMGC_DG04789,BMG_DG110908,,O=C1N(C(C=C1)=O)c2cc(ccc2)N3C(=O)C=CC3=O,,IPJGAEWUPXWFPL-UHFFFAOYSA-N
BMGC_DG04790,BMG_DG110917,,c1ccc2c(c1)c(=O)c(co2)C(=O)O,,PCIITXGDSHXTSN-UHFFFAOYSA-N
BMGC_DG04791,BMG_DG110931,C1=CC=C(C=C1)CSC#N,c1(ccccc1)CSC#N,"InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2",ABNDFSOIUFLJAH-UHFFFAOYSA-N
BMGC_DG04792,BMG_DG110956,,n12c([C@H](C(=O)O)CC1)ccc2C(=O)c3ccccc3,,OZWKMVRBQXNZKK-LLVKDONJSA-N
BMGC_DG04793,BMG_DG110988,C(C(CC(=O)O)O)C(=O)O,OC(CC(O)=O)CC(O)=O,"InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)",ZQHYXNSQOIDNTL-UHFFFAOYSA-N
BMGC_DG04794,BMG_DG110995,,[nH]1c(cc2cc(ccc12)F)C(=O)O,,WTXBRZCVLDTWLP-UHFFFAOYSA-N
BMGC_DG04795,BMG_DG111000,,n1(ccc2ccccc12)-c3ccccc3,,YBFCBQMICVOSRW-UHFFFAOYSA-N
BMGC_DG04796,BMG_DG111016,CN[C@@]1(CCCCC1=O)C2=CC=CC=C2Cl,[C@]1(c2c(Cl)cccc2)(C(=O)CCCC1)NC,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m0/s1",YQEZLKZALYSWHR-ZDUSSCGKSA-N
BMGC_DG04797,BMG_DG111019,,c1(cc2c(c3c1OCO3)[C@@]([C@]([C@@](C2)(COC)[H])(COC)[H])(c4cc(c(cc4)OC)OC)[H])OC,,LBJCUHLNHSKZBW-XGHQBKJUSA-N
BMGC_DG04798,BMG_DG111020,CC1=CC(=CC(=C1)OC2=C(C=C(C=C2C)OC)O)O,Cc1cc(cc(c1)Oc2c(C)cc(cc2O)OC)O,"InChI=1S/C15H16O4/c1-9-4-11(16)7-13(5-9)19-15-10(2)6-12(18-3)8-14(15)17/h4-8,16-17H,1-3H3",KXXZLMLLYMPYJE-UHFFFAOYSA-N
BMGC_DG04799,BMG_DG111052,CC(=O)N[C@@H](CCC(=O)N)C(=O)O,O=C(N[C@H](C(=O)O)CCC(=O)N)C,"InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m0/s1",KSMRODHGGIIXDV-YFKPBYRVSA-N
BMGC_DG04800,BMG_DG111053,C1[C@@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O,O[C@@H]1[C@@H](Oc2c(C1)c(O)cc(c2)O)c3cc(O)c(cc3)O,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1",PFTAWBLQPZVEMU-ZFWWWQNUSA-N
BMGC_DG04801,BMG_DG111073,,o1c(cc(c2cc(ccc12)O)=O)-c3ccc(O)cc3,,FFULTBKXWHYHFQ-UHFFFAOYSA-N
BMGC_DG04802,BMG_DG111091,C1=CC2=C(C=C1O)C(=CN2)CC(=O)O,c12c([nH]cc1CC(O)=O)ccc(c2)O,"InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)",DUUGKQCEGZLZNO-UHFFFAOYSA-N
BMGC_DG04803,BMG_DG111110,CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO,n1(c([nH]c(c(c1)C)=O)=O)[C@@H]2O[C@H](CO)C=C2,"InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1",XNKLLVCARDGLGL-JGVFFNPUSA-N
BMGC_DG04804,BMG_DG111117,,,,
BMGC_DG04805,BMG_DG111132,,C1C[C@]2([C@H]([C@@H](C[C@@H]1N2)O)O)O,,XOCBOVUINUHZJA-MVIOUDGNSA-N
BMGC_DG04806,BMG_DG111140,CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)N=C(C=C2C)C,,"InChI=1S/C24H23N7/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30)",YFWXFHNZGKNDBC-UHFFFAOYSA-N
BMGC_DG04807,BMG_DG111155,CN(C)CCC1=CNC2=C1C=C(C=C2)OC,[nH]1cc(CCN(C)C)c2c1ccc(OC)c2,"InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3",ZSTKHSQDNIGFLM-UHFFFAOYSA-N
BMGC_DG04808,BMG_DG111169,COC1=CC2=C(C=C1)NC=C2CCN,COc1ccc2c(c1)c(CCN)c[nH]2,"InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3",JTEJPPKMYBDEMY-UHFFFAOYSA-N
BMGC_DG04809,BMG_DG111190,C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)O)O,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)C)O)c([nH]c(c(c1)F)=O)=O,"InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1",ZWAOHEXOSAUJHY-ZIYNGMLESA-N
BMGC_DG04810,BMG_DG111218,,CC1(c2ccc(Oc3ccccc3)cc2)C(=O)NC(=O)NC1=O,,RTBMLCLTYAPKIF-UHFFFAOYSA-N
BMGC_DG04811,BMG_DG111229,,C(CCCN1CCC(CC1)(c2ccccc2)O)(=O)c3ccc(cc3)F,,FEFFZKPQSVTBAY-UHFFFAOYSA-N
BMGC_DG04812,BMG_DG111246,C1=CC(=CC(=C1)OCC(=O)O)CN(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CN=CC=C4,n1cccc(c1)S(=O)(=O)N(Cc2cccc(c2)OCC(=O)O)Cc3ccc(cc3)-n4cccn4,"InChI=1S/C24H22N4O5S/c29-24(30)18-33-22-5-1-4-20(14-22)17-27(34(31,32)23-6-2-11-25-15-23)16-19-7-9-21(10-8-19)28-13-3-12-26-28/h1-15H,16-18H2,(H,29,30)",MFFBXYNKZHTCEY-UHFFFAOYSA-N
BMGC_DG04813,BMG_DG111253,,C(CCC1CCN(CCCC)CC1)(=O)c2c(OC)cc(N)c(Cl)c2,,JBHLYIVFFLNISJ-UHFFFAOYSA-N
BMGC_DG04814,BMG_DG111254,,Cl.c1(N2CCN(CCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)ncccn1,,PPHCXMVJHQJEAK-UHFFFAOYSA-N
BMGC_DG04815,BMG_DG111257,CC1=CC=C(C=C1)C2=CC3=C(CCCC(=C3)C(=O)NC4=CC=C(C=C4)C[N+](C)(C)C5CCOCC5)C=C2,C(C1=Cc2cc(-c3ccc(C)cc3)ccc2CCC1)(Nc4ccc(C[N+](C5CCOCC5)(C)C)cc4)=O,"InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1",XNHZXMPLVSJQFK-UHFFFAOYSA-O
BMGC_DG04816,BMG_DG111260,C1CCC(CC1)[C@H](C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)C(=N)N)NCC(=O)O,C(=O)(O)CN[C@@H](C(N1[C@@H](CC1)C(=O)NCc2ccc(cc2)C(N)=N)=O)C3CCCCC3,"InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1",DKWNMCUOEDMMIN-PKOBYXMFSA-N
BMGC_DG04817,BMG_DG111265,CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,N12[C@@](SC([C@@H]1C(=O)O)(C)C)([H])[C@@H](C2=O)NC(c3c(noc3C)-c4c(Cl)cccc4Cl)=O,"InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",YFAGHNZHGGCZAX-JKIFEVAISA-N
BMGC_DG04818,BMG_DG111267,,c12c(sc([nH]1)=O)c(CCNCCS(=O)(=O)CCCOCCc3ccccc3)ccc2O,,DBCKRBGYGMVSTI-UHFFFAOYSA-N
BMGC_DG04819,BMG_DG111365,C1(=C(C(=C(C(=C1Br)N)Br)C(=O)O)Br)C(=O)O,C(O)(=O)c1c(Br)c(C(O)=O)c(Br)c(N)c1Br,"InChI=1S/C8H4Br3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)",KGKQFJKPOZCZLD-UHFFFAOYSA-N
BMGC_DG04820,BMG_DG111374,CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(O2)C)COC3=CC=C(C=C3)C4=NC=C(C=C4)OC,COc1cnc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4c(C)cccc4)oc3C)cc2)cc1,"InChI=1S/C26H24N2O6S/c1-17-6-4-5-7-25(17)35(30,31)28-26(29)24-14-20(18(2)34-24)16-33-21-10-8-19(9-11-21)23-13-12-22(32-3)15-27-23/h4-15H,16H2,1-3H3,(H,28,29)",IXDVRRPNWPOPGV-UHFFFAOYSA-N
BMGC_DG04821,BMG_DG111407,C1=C(C=C(C(=C1C(=O)O)O)Br)Br,c1(c(c(cc(c1)Br)Br)O)C(=O)O,"InChI=1S/C7H4Br2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)",BFBZHSOXKROMBG-UHFFFAOYSA-N
BMGC_DG04822,BMG_DG111428,,O(C(C(Oc1ccccc1)=O)=O)c2ccccc2,,ULOZDEVJRTYKFE-UHFFFAOYSA-N
BMGC_DG04823,BMG_DG111454,,C(=O)([C@@H]1[C@H](C=C(C)C[C@H]1c2c(O)cc(O)cc2)c3c(O)c(ccc3O)[C@H]4Oc5c(C(=O)C4)c(O)cc(O)c5)c6c(O)cc(O)cc6,,ZEZOBFSLMMTYFF-HQSFFLIMSA-N
BMGC_DG04824,BMG_DG111457,,C(C(=O)OCC[N+](CC)(CC)C)(c1ccccc1)(c2ccccc2)O.[Br-],,DKMVJQCQTCLYIF-UHFFFAOYSA-M
BMGC_DG04825,BMG_DG111458,CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2",FDJOLVPMNUYSCM-UHFFFAOYSA-L
BMGC_DG04826,BMG_DG111459,,c1(C(O)=O)ccc(N)nc1,,ZCIFWRHIEBXBOY-UHFFFAOYSA-N
BMGC_DG04827,BMG_DG111492,,Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O,,ABXZOXDTHTTZJW-UHFFFAOYSA-N
BMGC_DG04828,BMG_DG111529,,c1(cc(c(O)cc1)O)C(C(N)CC)O,,LENNRXOJHWNHSD-UHFFFAOYSA-N
BMGC_DG04829,BMG_DG111532,,[nH]1c2c(c3c1cccc3)c(OC[C@H](O)CNCCOc4c(OC)cccc4)ccc2,,OGHNVEJMJSYVRP-QGZVFWFLSA-N
BMGC_DG04830,BMG_DG111533,COC1=CC=CC=C1OCCNC[C@@H](COC2=CC=CC3=C2C4=CC=CC=C4N3)O,[nH]1c2c(c3c1cccc3)c(OC[C@@H](O)CNCCOc4c(OC)cccc4)ccc2,"InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/m0/s1",OGHNVEJMJSYVRP-KRWDZBQOSA-N
BMGC_DG04831,BMG_DG111536,,,,
BMGC_DG04832,BMG_DG111547,C1=CC=C(C=C1)C(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)O,c1(ccccc1)C(SCC(=O)NCC(NCC(NCC(O)=O)=O)=O)=O,"InChI=1S/C15H17N3O6S/c19-11(16-6-12(20)18-8-14(22)23)7-17-13(21)9-25-15(24)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,19)(H,17,21)(H,18,20)(H,22,23)",VDPYMEBVIDZKMD-UHFFFAOYSA-N
BMGC_DG04833,BMG_DG111550,CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(=O)O,C(C(C)(c1ccc(cc1)CCN2CCC(CC2)c3nc4c(n3CCOCC)cccc4)C)(=O)O,"InChI=1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)",ACCMWZWAEFYUGZ-UHFFFAOYSA-N
BMGC_DG04834,BMG_DG111563,,,,
BMGC_DG04835,BMG_DG111579,,O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)c2cc3c(c(cc(o3)-c4ccc(cc4)O)=O)c(c2O)O,,DJSISFGPUUYILV-ZFORQUDYSA-N
BMGC_DG04836,BMG_DG111580,,O[C@@H]([C@@](CC(=O)O)(C(=O)O)O)C(=O)O,,ZMJBYMUCKBYSCP-CVYQJGLWSA-N
BMGC_DG04837,BMG_DG111590,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1",WQZGKKKJIJFFOK-PQMKYFCFSA-N
BMGC_DG04838,BMG_DG111593,C1CNCC=C1C2=CC=C(C=C2)Cl,c1cc(ccc1C2=CCNCC2)Cl,"InChI=1S/C11H12ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2",SXOMHACGFSJBIO-UHFFFAOYSA-N
BMGC_DG04839,BMG_DG111602,C[As](C)O,,"InChI=1S/C2H7AsO/c1-3(2)4/h4H,1-2H3",VDEGQTCMQUFPFH-UHFFFAOYSA-N
BMGC_DG04840,BMG_DG111606,,N1(C[C@@H](O[C@@H](C1)C)C)CCCCCCCCCCCCC,,YTOPFCCWCSOHFV-KDURUIRLSA-N
BMGC_DG04841,BMG_DG111607,C1=CC2=C(C=C1O)OC(=C2)C3=CC(=CC(=C3)O)O,c1cc2c(cc1O)oc(c2)-c3cc(cc(c3)O)O,"InChI=1S/C14H10O4/c15-10-2-1-8-5-13(18-14(8)7-10)9-3-11(16)6-12(17)4-9/h1-7,15-17H",LHPRYOJTASOZGJ-UHFFFAOYSA-N
BMGC_DG04842,BMG_DG111610,,C(CS(O)(=O)=O)[C@@H](N)C(=O)O,,VBOQYPQEPHKASR-GSVOUGTGSA-N
BMGC_DG04843,BMG_DG111616,,c1(cc(cc(c1)O)CCc2ccc(O)cc2)O,,HITJFUSPLYBJPE-UHFFFAOYSA-N
BMGC_DG04844,BMG_DG111617,,OC([C@@H](N)Cc1ccc2c(c1)cccc2)=O,,JPZXHKDZASGCLU-LBPRGKRZSA-N
BMGC_DG04845,BMG_DG111618,,Cc1cc(c2c(c1N)C(=O)c3ccccc3C2=O)Cl,,XHWWVXZEALFXQA-UHFFFAOYSA-N
BMGC_DG04846,BMG_DG111631,,C([C@]12[C@H](O)[C@@H](C)CC(O)=C1C(c3c(O)c(-c4ccc5O[C@@]6(C(=O)OC)[C@@H](O)[C@@H](C)CC(O)=C6C(=O)c5c4O)ccc3O2)=O)(=O)OC,,DRYDKQOPVBDZMQ-XIBZLVKHSA-N
BMGC_DG04847,BMG_DG111633,CC(=O)OP(=O)(O)O,CC(=O)OP(O)(O)=O,"InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)",LIPOUNRJVLNBCD-UHFFFAOYSA-N
BMGC_DG04848,BMG_DG111634,CCCCC1=NC2=C(C=C1)[C@@H]([C@H]([C@@H]2C3=C(C=C(C=C3)OC)C[C@H](C)C(=O)O)C(=O)O)C4=CC5=C(C=C4)OCO5,c12c(ccc(n1)CCCC)[C@@H]([C@H]([C@@H]2c3c(cc(cc3)OC)C[C@H](C)C(=O)O)C(=O)O)c4cc5OCOc5cc4,"InChI=1S/C31H33NO7/c1-4-5-6-20-8-10-23-26(18-7-12-24-25(15-18)39-16-38-24)28(31(35)36)27(29(23)32-20)22-11-9-21(37-3)14-19(22)13-17(2)30(33)34/h7-12,14-15,17,26-28H,4-6,13,16H2,1-3H3,(H,33,34)(H,35,36)/t17-,26-,27-,28+/m0/s1",IUHMIOAKWHUFKU-YINIXLNUSA-N
BMGC_DG04849,BMG_DG111658,,c1(C=C(C#N)C#N)ccco1,,CRUJHLHRJSNZIU-UHFFFAOYSA-N
BMGC_DG04850,BMG_DG111669,C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C.CC(=O)O,,"InChI=1S/C24H34O4.C2H4O2/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26;1-2(3)4/h13-14,18-20H,6-12H2,1-5H3;1H3,(H,3,4)/t14-,18+,19-,20-,22+,23-,24-;/m0./s1",ZZIKXXKQSPPZDW-GJKIXRMNSA-N
BMGC_DG04851,BMG_DG111686,,C(c1c(c(ccc1)[N+](=O)[O-])O)(=O)Nc2c(ccc(c2)Cl)OC,,SXKNMJHRHWIFCI-UHFFFAOYSA-N
BMGC_DG04852,BMG_DG111727,C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl,c12c(c(c(Cl)c(c1Cl)Cl)Cl)Oc3c(c(Cl)c(c(c3O2)Cl)Cl)Cl,InChI=1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10,FOIBFBMSLDGNHL-UHFFFAOYSA-N
BMGC_DG04853,BMG_DG111734,CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)O,c12c(cc(O)c(c1)OC)[nH]cc2CCNC(C)=O,"InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)",OMYMRCXOJJZYKE-UHFFFAOYSA-N
BMGC_DG04854,BMG_DG111751,,Cc1c(CCCO)[nH]c(=O)[nH]c1=O,,OIEJBPVNLZZLGQ-UHFFFAOYSA-N
BMGC_DG04855,BMG_DG111795,,Clc1ccc2nc(-c3ccccn3)[nH]c2c1,,AIASBFLKLNIZOK-UHFFFAOYSA-N
BMGC_DG04856,BMG_DG111800,COC1=CC2=C(C=C1)NC3=C2CCNC3,[nH]1c2c(CCNC2)c3c1ccc(OC)c3,"InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3",QYMDEOQLJUUNOF-UHFFFAOYSA-N
BMGC_DG04857,BMG_DG111823,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1,c12c(c3c(cc4c(c3oc1=O)[C@]5([C@@](OC=C5)([H])O4)[H])OC)CCC2=O,"InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1",OQIQSTLJSLGHID-WNWIJWBNSA-N
BMGC_DG04858,BMG_DG111836,CC(=O)OCC[N+](C)(C)C,[N+](CCOC(=O)C)(C)(C)C,"InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1",OIPILFWXSMYKGL-UHFFFAOYSA-N
BMGC_DG04859,BMG_DG111843,CC1C(=NNC(=O)S1)C2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC(=C(C=C4)OC)OC,N1(C(=O)c2ccc(OC)c(OC)c2)c3c(cc(C=4C(C)SC(=O)NN4)cc3)CCC1,"InChI=1S/C22H23N3O4S/c1-13-20(23-24-22(27)30-13)15-6-8-17-14(11-15)5-4-10-25(17)21(26)16-7-9-18(28-2)19(12-16)29-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,27)",IZLRMTJLQCLMKF-UHFFFAOYSA-N
BMGC_DG04860,BMG_DG111861,C1CC(C(CC1C(CBr)Br)Br)Br,C1(CC(C(Br)CC1)Br)C(CBr)Br,"InChI=1S/C8H12Br4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h5-8H,1-4H2",PQRRSJBLKOPVJV-UHFFFAOYSA-N
BMGC_DG04861,BMG_DG111867,CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC(=C)Br,O=C1N(C)C(=O)NC(=O)C1(CC(Br)=C)C(C)C,"InChI=1S/C11H15BrN2O3/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16/h6H,3,5H2,1-2,4H3,(H,13,15,17)",WGMASVSHOSNKMF-UHFFFAOYSA-N
BMGC_DG04862,BMG_DG111869,CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)O)C,O[C@@H]1C[C@]2([H])C[C@@H](NC(=O)CCCCCCCCCCCCCCCCCCC)CC[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@H](C)CCC(=O)O)CC[C@@]4([H])[C@@]31[H],"InChI=1S/C44H79NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(48)45-34-27-28-43(3)33(29-34)30-38(46)42-36-25-24-35(32(2)23-26-41(49)50)44(36,4)39(47)31-37(42)43/h32-39,42,46-47H,5-31H2,1-4H3,(H,45,48)(H,49,50)/t32-,33+,34+,35-,36+,37+,38-,39+,42+,43+,44-/m1/s1",SHKXZIQNFMOPBS-OOMQYRRCSA-N
BMGC_DG04863,BMG_DG111880,CC1CN(C(CN1C(=O)NC2=CN=C(C=C2)C(F)(F)F)C)C3=CC(=C(C=C3)C#N)C(F)(F)F,,"InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)",JKMJQRRLCJXPOK-UHFFFAOYSA-N
BMGC_DG04864,BMG_DG111884,,c1(n(nc(C)c1)-c2cccc(Cl)c2)O,,LLCDODWJUNKEFS-UHFFFAOYSA-N
BMGC_DG04865,BMG_DG111903,,COc1cc2ncnc(C#Cc3ccccc3)c2cc1OC,,ASHKAXPHUUQQTC-UHFFFAOYSA-N
BMGC_DG04866,BMG_DG111927,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(NC3=CC=C(C=C3)S(=O)(=O)NC4=NN=C(C=C4)OC)S(=O)(=O)O,COc1nnc(NS(=O)(=O)c2ccc(NC(c3c(C)n(C)n(c3=O)-c4ccccc4)S(O)(=O)=O)cc2)cc1,"InChI=1S/C23H24N6O7S2/c1-15-21(23(30)29(28(15)2)17-7-5-4-6-8-17)22(38(33,34)35)24-16-9-11-18(12-10-16)37(31,32)27-19-13-14-20(36-3)26-25-19/h4-14,22,24H,1-3H3,(H,25,27)(H,33,34,35)",BGLHAKAJGYLSOX-UHFFFAOYSA-N
BMGC_DG04867,BMG_DG111956,C1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N,c1(S(=O)(=O)N)sc(NS(=O)(=O)c2ccccc2)nn1,"InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)",PWDGTQXZLNDOKS-UHFFFAOYSA-N
BMGC_DG04868,BMG_DG111959,,O1c2c(N=Cc3c1cc(cc3)C)cccc2,,KEALMLYFIZKBPR-UHFFFAOYSA-N
BMGC_DG04869,BMG_DG111961,,c12oc(-c3ccccc3)cc(c1ccc(c2O)O)=O,,COCYGNDCWFKTMF-UHFFFAOYSA-N
BMGC_DG04870,BMG_DG111974,,,,
BMGC_DG04871,BMG_DG111987,,c12c(c(=O)n(c(n1C)=O)C)n(CCCl)cn2,,QCIARNIKNKKHFH-UHFFFAOYSA-N
BMGC_DG04872,BMG_DG111993,COCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NC4CCCC4)N,,"InChI=1S/C20H25N5O2/c1-27-12-6-11-25-18(21)16(20(26)22-13-7-2-3-8-13)17-19(25)24-15-10-5-4-9-14(15)23-17/h4-5,9-10,13H,2-3,6-8,11-12,21H2,1H3,(H,22,26)",VNOFYGGJZCEPAH-UHFFFAOYSA-N
BMGC_DG04873,BMG_DG112003,,C=1(c2c(NC(CN1)=O)ccc(c2)N)c3c(Cl)cccc3,,HEFRPWRJTGLSSV-UHFFFAOYSA-N
BMGC_DG04874,BMG_DG112010,COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC,c1(cc(c2c(o1)cc(c(c2O)OC)OC)=O)-c3ccc(cc3)O,"InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3",ZIIAJIWLQUVGHB-UHFFFAOYSA-N
BMGC_DG04875,BMG_DG112013,,,,
BMGC_DG04876,BMG_DG112015,,,,
BMGC_DG04877,BMG_DG112025,C1=CC(=C(C(=C1Cl)C(=O)O)O)Cl,c1(c(c(ccc1Cl)Cl)O)C(O)=O,"InChI=1S/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12)",FKIKPQHMWFZFEB-UHFFFAOYSA-N
BMGC_DG04878,BMG_DG112030,,N1(CCCN(C)C)c2cc(OC)ccc2Sc3ccccc13,,BRABPYPSZVCCLR-UHFFFAOYSA-N
BMGC_DG04879,BMG_DG112043,,c1(C(NNC(C)C)=O)ccccc1,,JEDFDJQCNTWWDS-UHFFFAOYSA-N
BMGC_DG04880,BMG_DG112051,,N1CCC(Oc2ccccc2)CC1,,KBYPITRKIJKGMD-UHFFFAOYSA-N
BMGC_DG04881,BMG_DG112054,CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O,CC(N[C@H](C(N[C@@H](CCC(O)=O)C(=O)O)=O)CC(O)=O)=O,"InChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1",OPVPGKGADVGKTG-BQBZGAKWSA-N
BMGC_DG04882,BMG_DG112060,C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O,,"InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2",FURUXTVZLHCCNA-UHFFFAOYSA-N
BMGC_DG04883,BMG_DG112061,,C(CN(C)C)N(C)CCc1cc(c(cc1)Cl)Cl,,MGVRNMUKTZOQOW-UHFFFAOYSA-N
BMGC_DG04884,BMG_DG112065,,c1ccccc1-c2[nH]c(cn2)CN3CCN(c4ncccn4)CC3,,OTVQCHUIPJYASM-UHFFFAOYSA-N
BMGC_DG04885,BMG_DG112073,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)O)O,Nc1c2c(n(cn2)[C@@H]3O[C@@H]([C@H](C3)O)COP(OP(=O)(O)O)(=O)O)ncn1,"InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1",DAEAPNUQQAICNR-RRKCRQDMSA-N
BMGC_DG04886,BMG_DG112086,C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3,c1ccc(cc1)C2CC(=O)c3ccc(cc3O2)O,"InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2",SWAJPHCXKPCPQZ-UHFFFAOYSA-N
BMGC_DG04887,BMG_DG112091,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CN=CN1)N,,"InChI=1S/C12H20N4O3/c1-7(2)3-10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t9-,10-/m0/s1",MMFKFJORZBJVNF-UWVGGRQHSA-N
BMGC_DG04888,BMG_DG112098,,[C@@]1(CC[C@]2(C(=CC(C(C[C@]12[H])=C(C)C)=O)C)[H])(C)O,,RHBOHEXDGUVIIY-WHOFXGATSA-N
BMGC_DG04889,BMG_DG112106,C(CC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O)C(=O)O,"InChI=1S/C11H17N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h5-7H,1-4,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1",FHXAGOICBFGEBF-BQBZGAKWSA-N
BMGC_DG04890,BMG_DG112110,,,,
BMGC_DG04891,BMG_DG112116,CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO,c12c(c(=O)n(c(n1C)=O)C)n(CCO)cn2,"InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3",NWPRCRWQMGIBOT-UHFFFAOYSA-N
BMGC_DG04892,BMG_DG112140,C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2,[N+](c1c2[nH]ncc2ccc1)([O-])=O,"InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)",PQCAUHUKTBHUSA-UHFFFAOYSA-N
BMGC_DG04893,BMG_DG112150,,CCN1/C(/Sc2c1cc(OC)cc2)=C/C(C)=O,,BGVLELSCIHASRV-QPEQYQDCSA-N
BMGC_DG04894,BMG_DG112157,,,,
BMGC_DG04895,BMG_DG112176,C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1",WQZGKKKJIJFFOK-QTVWNMPRSA-N
BMGC_DG04896,BMG_DG112189,C1CC2=C(C=CC(=C2)F)O[C@H]1[C@@H](CNC[C@H]([C@@H]3CCC4=C(O3)C=CC(=C4)F)O)O,O1c2c(cc(cc2)F)CC[C@@]1([C@H](O)CNC[C@H]([C@@]3(CCc4cc(F)ccc4O3)[H])O)[H];N(C[C@@H](O)[C@@]1(CCc2c(O1)ccc(c2)F)[H])C[C@@H](O)[C@]3(CCc4c(O3)ccc(c4)F)[H],"InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2/t17-,18-,21-,22+/m1/s1",KOHIRBRYDXPAMZ-YHBROIRLSA-N
BMGC_DG04897,BMG_DG112211,C1C[C@H](N(C1)C(=O)[C@H](CCCCN)OP(=O)(CCCCC2=CC=CC=C2)O)C(=O)O,N1(C([C@@H](OP(=O)(O)CCCCc2ccccc2)CCCCN)=O)[C@H](C(=O)O)CCC1,"InChI=1S/C21H33N2O6P/c22-14-6-4-13-19(20(24)23-15-8-12-18(23)21(25)26)29-30(27,28)16-7-5-11-17-9-2-1-3-10-17/h1-3,9-10,18-19H,4-8,11-16,22H2,(H,25,26)(H,27,28)/t18-,19-/m0/s1",IFYLTXNCFVRALQ-OALUTQOASA-N
BMGC_DG04898,BMG_DG112218,,CCCCOc1nccc(Nc2ccccc2C(=O)O)n1,,YTFVMUTWNFDKIY-UHFFFAOYSA-N
BMGC_DG04899,BMG_DG112222,CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)COC(=O)C,[C@@]12([C@@]3([C@@]([C@]4([C@]([C@@]5(C(=CC(=O)C=C5)CC4)C)([H])[C@H](C3)O)[H])([H])C[C@]1(OC(=N2)C)[H])C)C(COC(=O)C)=O,"InChI=1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1",FBHSPRKOSMHSIF-GRMWVWQJSA-N
BMGC_DG04900,BMG_DG112226,C1CCN=C(C1)C2=CN=CC=C2,c1(C=2CCCCN2)cccnc1,"InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8H,1-2,5,7H2",AUBPMADJYNSPOA-UHFFFAOYSA-N
BMGC_DG04901,BMG_DG112229,COC1=CC2=C(C=C1)NC=C2CC(=O)O,c12c([nH]cc1CC(O)=O)ccc(c2)OC,"InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)",COCNDHOPIHDTHK-UHFFFAOYSA-N
BMGC_DG04902,BMG_DG112231,,c1cccc(c1)-n2n(c(c(NCc3n(n(c(c3C(C)C)=O)-c4ccccc4)C)c2=O)C)C,,JPKRUWRMHGVJCV-UHFFFAOYSA-N
BMGC_DG04903,BMG_DG112249,CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)[O-],C(c1cnc(C)nc1N)[n+]2csc(CCOP([O-])(=O)OP(O)(=O)OP(O)(O)=O)c2C,"InChI=1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)",IWLROWZYZPNOFC-UHFFFAOYSA-N
BMGC_DG04904,BMG_DG112251,,C(C(CC(=O)O)C(P(=O)(O)O)P(=O)(O)O)(=O)O,,LDTZSTJLVYBEKB-UHFFFAOYSA-N
BMGC_DG04905,BMG_DG112252,,CN(C)c1c(cc(cc1[N+](=O)[O-])N2C(=O)C=CC2=O)[N+](=O)[O-],,QPYAUURPGVXHFK-UHFFFAOYSA-N
BMGC_DG04906,BMG_DG112273,C1=CC(=C(C(=C1)O)O)C(=O)O,c1(c(c(O)ccc1)O)C(=O)O,"InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)",GLDQAMYCGOIJDV-UHFFFAOYSA-N
BMGC_DG04907,BMG_DG112274,C1=NC2=NC=NC(=C2N1)N,c12c([nH]cn1)ncnc2N,"InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)",GFFGJBXGBJISGV-UHFFFAOYSA-N
BMGC_DG04908,BMG_DG112279,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3(CCCCC3)N)C(=O)O)C,N12[C@@](SC([C@@H]1C(=O)O)(C)C)([H])[C@@H](C2=O)NC(C3(N)CCCCC3)=O,"InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1",HGBLNBBNRORJKI-WCABBAIRSA-N
BMGC_DG04909,BMG_DG112285,COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC,c1c(c(c2c(c1)cc-3[n+](c2)CCc4c3cc(c(c4)OC)OC)OC)OC,"InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1",QUCQEUCGKKTEBI-UHFFFAOYSA-N
BMGC_DG04910,BMG_DG112291,,O=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c3ccccc13,,KGRJPLRFGLMQMV-UHFFFAOYSA-N
BMGC_DG04911,BMG_DG112350,CC(C)NNC(=O)COC1=CC=C(C=C1)Cl,c1(ccc(Cl)cc1)OCC(NNC(C)C)=O,"InChI=1S/C11H15ClN2O2/c1-8(2)13-14-11(15)7-16-10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15)",GGECDTUJZOXAAR-UHFFFAOYSA-N
BMGC_DG04912,BMG_DG112379,CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O,,"InChI=1S/C13H12N4O5S/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)7-3-5-8(6-4-7)23(20,21)22/h3-6H,1-2H3,(H,14,15)(H,20,21,22)",LXJSJIXZOAMHTG-UHFFFAOYSA-N
BMGC_DG04913,BMG_DG112380,COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)N,c12c(nc3cc(Cl)ccc3c1N)ccc(c2)OC,"InChI=1S/C14H11ClN2O/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3,(H2,16,17)",IHHSSHCBRVYGJX-UHFFFAOYSA-N
BMGC_DG04914,BMG_DG112394,CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C,C1=2[C@@]([C@@]3([C@@]([C@]4([C@]([C@](C(=O)C)(O)CC4)(C)CC3)[H])([H])C=C1C)[H])(CCC(C2)=O)C,"InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h11-12,16-18,25H,5-10H2,1-4H3/t16-,17+,18+,20-,21+,22+/m1/s1",VXIMPSPISRVBPZ-NWUMPJBXSA-N
BMGC_DG04915,BMG_DG112395,,[C@H](CN1CCCC1)(N(C(Cc2ccccc2)=O)C)c3ccccc3,,OVZWUDZIAAHNFG-HXUWFJFHSA-N
BMGC_DG04916,BMG_DG112399,CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C(=C3O)OC)OC)OC,,"InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3",QYPQTPVQPNLXHV-UHFFFAOYSA-N
BMGC_DG04917,BMG_DG112400,CC(CC(C)(C)O)OC(C(Cl)(Cl)Cl)O,C(C(OC(CC(O)(C)C)C)O)(Cl)(Cl)Cl,"InChI=1S/C8H15Cl3O3/c1-5(4-7(2,3)13)14-6(12)8(9,10)11/h5-6,12-13H,4H2,1-3H3",QVFWZNCVPCJQOP-UHFFFAOYSA-N
BMGC_DG04918,BMG_DG112405,,N1(c2c(CCc3c1cccc3)cccc2)C(=O)N,,PHNLCHMJDSSPDQ-UHFFFAOYSA-N
BMGC_DG04919,BMG_DG112413,C1=CC2=C(C=CC(=C2N=C1)O)N=O,c12c(c(ccc1N=O)O)nccc2,"InChI=1S/C9H6N2O2/c12-8-4-3-7(11-13)6-2-1-5-10-9(6)8/h1-5,12H",RZWRYPGAUIOOMK-UHFFFAOYSA-N
BMGC_DG04920,BMG_DG112451,,c1(O)cc(C(CNC(C)C)O)ccc1,,LVISWIXSNZQRHA-UHFFFAOYSA-N
BMGC_DG04921,BMG_DG112459,,C(c1ccccc1)(c2ccccc2)(OCCN(C)C)C,,BBIMHFSPNXQFAH-UHFFFAOYSA-N
BMGC_DG04922,BMG_DG112460,CC1C2CC3=C(C1(CCN2CC4CC4)C)C=C(C=C3)O,C12(CCN(C(C1C)Cc3ccc(cc23)O)CC4CC4)C,"InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3",YQYVFVRQLZMJKJ-UHFFFAOYSA-N
BMGC_DG04923,BMG_DG112461,,,,
BMGC_DG04924,BMG_DG112464,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)COC(=O)C)[H])NC([C@@H](c3ccccc3)N)=O,"InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1",FUBBGQLTSCSAON-PBFPGSCMSA-N
BMGC_DG04925,BMG_DG112467,CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)O,N(c1ccccc1)(C(C(CCCC)C(O)=O)=O)Nc2ccccc2,"InChI=1S/C19H22N2O3/c1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15/h4-13,17,20H,2-3,14H2,1H3,(H,23,24)",FLWFHHFTIRLFPV-UHFFFAOYSA-N
BMGC_DG04926,BMG_DG112471,,,,
BMGC_DG04927,BMG_DG112473,CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3CCCC3,c12c(c(=O)n(c(n1C)=O)C)[nH]c(n2)C3CCCC3,"InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)",SCVHFRLUNIOSGI-UHFFFAOYSA-N
BMGC_DG04928,BMG_DG112484,,C1[C@@]([C@H]([C@@]2([C@@](C1)(C(Oc3cc(cc(c23)O)CCCCC)(C)C)[H])[H])O)(O)C,,TZGCTXUTNDNTTE-DYZHCLJRSA-N
BMGC_DG04929,BMG_DG112493,CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O.CNC[C@@H](C1=CC(=CC=C1)O)O.Cl,,"InChI=1S/C23H30O6.C9H13NO2.ClH/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3;1-10-6-9(12)7-3-2-4-8(11)5-7;/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3;2-5,9-12H,6H2,1H3;1H/t16-,17-,18-,20+,21-,22-,23-;9-;/m00./s1",ZNXXCLVUNMDLNR-UQLUPRNYSA-N
BMGC_DG04930,BMG_DG112498,CC[C@H](C1=CC=C(C=C1)O)[C@@H](CC)C2=CC=C(C=C2)O,[C@@H](c1ccc(O)cc1)(CC)[C@@H](c2ccc(O)cc2)CC,"InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+",PBBGSZCBWVPOOL-HDICACEKSA-N
BMGC_DG04931,BMG_DG112499,,O=c1n(C)c(=O)n(C)c2[nH]c(-c3ccccc3)nc21,,PJFMAVHETLRJHJ-UHFFFAOYSA-N
BMGC_DG04932,BMG_DG112508,C[C@H](CC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,[C@]12([C@]([C@]3([C@]([C@@]4([C@](C[C@H](O)CC4)([H])C[C@@H]3O)C)([H])CC1)[H])(CC[C@@]2([C@@H](CC(=O)O)C)[H])[H])C,"InChI=1S/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14+,15-,16-,17+,18+,19+,21+,22+,23-/m1/s1",QYYDXDSPYPOWRO-JHMCBHKWSA-N
BMGC_DG04933,BMG_DG112510,,CCn1nc(-c2cccnc2)c3ccccc3c1=O,,SSNUPBSCHCYXHG-UHFFFAOYSA-N
BMGC_DG04934,BMG_DG112512,C1=CC2=C(C(=C1)O)N=CC=C2,c12ncccc1cccc2O,"InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H",MCJGNVYPOGVAJF-UHFFFAOYSA-N
BMGC_DG04935,BMG_DG112516,C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,,"InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1",DQQDLYVHOTZLOR-OCIMBMBZSA-N
BMGC_DG04936,BMG_DG112522,,C1CN(Cc2ccccc2)CCC1CCC(=O)c3ccc4c(c3)sc(n4)C,,WUDBCFDOLSHYHH-UHFFFAOYSA-N
BMGC_DG04937,BMG_DG112527,CCC1(C(=O)NC(=O)NC1=O)C2=CC3CCC(C3)C2,C1(C=2CC3CC(C2)CC3)(C(NC(=O)NC1=O)=O)CC,"InChI=1S/C14H18N2O3/c1-2-14(11(17)15-13(19)16-12(14)18)10-6-8-3-4-9(5-8)7-10/h6,8-9H,2-5,7H2,1H3,(H2,15,16,17,18,19)",MKELYWOVSPVORM-UHFFFAOYSA-N
BMGC_DG04938,BMG_DG112528,,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,,ICAIHSUWWZJGHD-UHFFFAOYSA-N
BMGC_DG04939,BMG_DG112541,,c1c(NC(C)=O)ccc(C(O)=O)c1,,QCXJEYYXVJIFCE-UHFFFAOYSA-N
BMGC_DG04940,BMG_DG112544,C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)C,[C@]12([C@@](N(c3c1cc(OC(Nc4ccccc4)=O)cc3)C)(N(CC2)C)[H])C,"InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1",PBHFNBQPZCRWQP-QUCCMNQESA-N
BMGC_DG04941,BMG_DG112545,CN(C1=CC(=CC=C1)SC)C(=NC2=C(C=CC(=C2)SC)Cl)N,c1(cc(ccc1Cl)SC)NC(N(c2cc(ccc2)SC)C)=N,"InChI=1S/C16H18ClN3S2/c1-20(11-5-4-6-12(9-11)21-2)16(18)19-15-10-13(22-3)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)",JHVHEDNLONERHY-UHFFFAOYSA-N
BMGC_DG04942,BMG_DG112546,,,,
BMGC_DG04943,BMG_DG112555,C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,C1C[C@H](O)CC2=CC[C@]3([C@@]4(CC[C@@]([C@@]4(C)CC[C@@]3([C@]21C)[H])(C(=O)CO)O)[H])[H],"InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h3,14-17,22-23,25H,4-12H2,1-2H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1",JNHJGXQUDOYJAK-IYRCEVNGSA-N
BMGC_DG04944,BMG_DG112572,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O,,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-/m1/s1",FYGDTMLNYKFZSV-PXXRMHSHSA-N
BMGC_DG04945,BMG_DG112573,,O1C([C@H]([C@@H](C1)Cc2cc(c(cc2)O)OC)Cc3cc(c(c(c3)OC)O)OC)=O,,XMLWGUKRPGLJGA-CABCVRRESA-N
BMGC_DG04946,BMG_DG112585,,c12c3c(cccc3)[nH]c1cc(C)cc2,,PWJYOTPKLOICJK-UHFFFAOYSA-N
BMGC_DG04947,BMG_DG112622,,,,
BMGC_DG04948,BMG_DG112624,C(C[C@@H](C(=O)O)N)C=O,N[C@@H](CCC=O)C(O)=O,"InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1",KABXUUFDPUOJMW-BYPYZUCNSA-N
BMGC_DG04949,BMG_DG112627,,CN1c2ccccc2C(=NCC1=O)c3ccccc3F,,YVTVBCWQHDDTGB-UHFFFAOYSA-N
BMGC_DG04950,BMG_DG112628,C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,,"InChI=1S/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3/t16?,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1",XJZGNVBLVFOSKJ-XZULNKEGSA-N
BMGC_DG04951,BMG_DG112643,C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C,,"InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17?,18-,21-,22+,23+,24-,25+,26+,27-/m1/s1",KVJVJJWIEXCECB-GWUAJDSISA-N
BMGC_DG04952,BMG_DG112660,,,,
BMGC_DG04953,BMG_DG112667,C1CCC2=NC3=CC=CC=C3C(=C2C1)N,c1(c2c(CCCC2)nc3c1cccc3)N,"InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)",YLJREFDVOIBQDA-UHFFFAOYSA-N
BMGC_DG04954,BMG_DG112671,,,,
BMGC_DG04955,BMG_DG112675,C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=C)C(C)C)C,C[C@@]12C3=C([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(C(C)C)=C)C)(CC4)[H])[H])CC[C@]1([C@H](C)[C@@H](O)CC2)[H],"InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,27+,28-,29+/m1/s1",QLDNWJOJCDIMKK-XLFBYWHPSA-N
BMGC_DG04956,BMG_DG112683,CN1C=C(N=C1)CC=O,,"InChI=1S/C6H8N2O/c1-8-4-6(2-3-9)7-5-8/h3-5H,2H2,1H3",GCQHUBANENYTLB-UHFFFAOYSA-N
BMGC_DG04957,BMG_DG112689,,C(c1ccccc1)SC[C@H](N)C(=O)O,,GHBAYRBVXCRIHT-VIFPVBQESA-N
BMGC_DG04958,BMG_DG112690,,c1cc(c(c2c1C(N(C2)CCc3ccc(cc3)O)=O)NCCCCC)OC,,FMUMUYFMLZGXJR-UHFFFAOYSA-N
BMGC_DG04959,BMG_DG112694,C([C@@H](C(=O)O)N)SCC(=O)O,C([C@@H](N)CSCC(=O)O)(=O)O,"InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",GBFLZEXEOZUWRN-VKHMYHEASA-N
BMGC_DG04960,BMG_DG112709,CN1CCC(=C2C3=CC=CC=C3CCN4C2=NC=C4C=O)CC1,c1(C=O)n2c(nc1)C(c3c(cccc3)CC2)=C4CCN(CC4)C,"InChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3",MWTBKTRZPHJQLH-UHFFFAOYSA-N
BMGC_DG04961,BMG_DG112720,C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO,,"InChI=1S/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6-,7-/m0/s1",XPHOBMULWMGEBA-VZFHVOOUSA-N
BMGC_DG04962,BMG_DG112728,CCCCCCCCCCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O,,"InChI=1S/C39H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-28,32-34,38,47,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)",WZMAIEGYXCOYSH-UHFFFAOYSA-N
BMGC_DG04963,BMG_DG112749,CCOP(=S)(OCC)OP(=S)(OCC)OCC,O(P(OCC)(OCC)=S)P(OCC)(OCC)=S,"InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3",XIUROWKZWPIAIB-UHFFFAOYSA-N
BMGC_DG04964,BMG_DG112755,CC(CN1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31)CN(C)C,N1(c2c(S(=O)(=O)c3c1cccc3)cccc2)CC(CN(C)C)C,"InChI=1S/C18H22N2O2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)23(21,22)18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3",QTQPVLDZQVPLGV-UHFFFAOYSA-N
BMGC_DG04965,BMG_DG112756,CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N,c1(nc(Nc2ccc(C#N)cc2)nc(c1Br)N)Oc3c(cc(cc3C)C#N)C,"InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)",PYGWGZALEOIKDF-UHFFFAOYSA-N
BMGC_DG04966,BMG_DG112771,CC1(C(=O)N(C(=O)N1C)C[C@H]([C@@H](CC2CCCC2)C(=O)N3CCCCC3)C(=O)NO)C,,"InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17-/m1/s1",GFUITADOEPNRML-IAGOWNOFSA-N
BMGC_DG04967,BMG_DG112791,,,,
BMGC_DG04968,BMG_DG112797,,[C@@H]1([C@]([C@]2([C@]([C@@]3([C@@]([C@]4(C([C@]5([C@@](C(O)=O)(CC4)CC[C@H]([C@]5(O)C)C)[H])=CC3)C)(C)CC2)[H])(C)CC1)[H])(C)CO)O,,YLHQFGOOMKJFLP-JGLQYCRZSA-N
BMGC_DG04969,BMG_DG112802,,CC(O)Cn1cnc2c(N)ncnc12,,MJZYTEBKXLVLMY-UHFFFAOYSA-N
BMGC_DG04970,BMG_DG112805,,c1(cc(c(O)cc1)OC)C=C(C#N)C#N,,WKTJJISTXUHPEQ-UHFFFAOYSA-N
BMGC_DG04971,BMG_DG112820,,,,
BMGC_DG04972,BMG_DG112825,,CC(C)c1[nH]c2ccccc2c1Cn3ccnc3,,NZXGMVRYQLENHC-UHFFFAOYSA-N
BMGC_DG04973,BMG_DG112829,,c1(nc(N)no1)-c2nc(Cl)c(nc2N)N,,GJLPISUGPIFCFQ-UHFFFAOYSA-N
BMGC_DG04974,BMG_DG112830,CN1C(=O)[C@@]2(CC3=CC=C[C@@H]([C@H]3N2C(=O)[C@@]1(CO)SC)O)SC,,"InChI=1S/C15H20N2O4S2/c1-16-12(20)14(22-2)7-9-5-4-6-10(19)11(9)17(14)13(21)15(16,8-18)23-3/h4-6,10-11,18-19H,7-8H2,1-3H3/t10-,11-,14+,15+/m0/s1",OVBAGMZLGLXSBN-UOVKNHIHSA-N
BMGC_DG04975,BMG_DG112852,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC,,"InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1",MOPRTFSMCQNUCT-CABCVRRESA-N
BMGC_DG04976,BMG_DG112853,,,,
BMGC_DG04977,BMG_DG112856,,CN(CCCCCCOc1ccc(c(F)c1)C(=O)c2ccc(Br)cc2)CC=C,,CMYCCJYVZIMDFU-UHFFFAOYSA-N
BMGC_DG04978,BMG_DG112858,C1[C@H]([C@@H]1N)C2=CC=CC=C2,[C@H]1(C[C@H]1N)c2ccccc2,"InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1",AELCINSCMGFISI-DTWKUNHWSA-N
BMGC_DG04979,BMG_DG112862,CN1CCN(CC1)C2=C(C=C3C4=C2OCC5(N4C=C(C3=O)C(=O)O)CC5)F,,"InChI=1S/C19H20FN3O4/c1-21-4-6-22(7-5-21)15-13(20)8-11-14-17(15)27-10-19(2-3-19)23(14)9-12(16(11)24)18(25)26/h8-9H,2-7,10H2,1H3,(H,25,26)",IZDSFCWBXIEPJR-UHFFFAOYSA-N
BMGC_DG04980,BMG_DG112879,,,,
BMGC_DG04981,BMG_DG112886,CC(CC1=CC=CC=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C,c12c(c(=O)n(c(n1C)=O)C)n(CCNC(Cc3ccccc3)C)cn2,"InChI=1S/C18H23N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,12-13,19H,9-11H2,1-3H3",NMCHYWGKBADVMK-UHFFFAOYSA-N
BMGC_DG04982,BMG_DG112889,CN(C1=CC=C(C=C1)OC(=O)C2=CC=CO2)C(=O)C(Cl)Cl,C(N(c1ccc(OC(c2occc2)=O)cc1)C)(C(Cl)Cl)=O,"InChI=1S/C14H11Cl2NO4/c1-17(13(18)12(15)16)9-4-6-10(7-5-9)21-14(19)11-3-2-8-20-11/h2-8,12H,1H3",BDYYDXJSHYEDGB-UHFFFAOYSA-N
BMGC_DG04983,BMG_DG112892,,c1(cc(cc(c1)Cl)Cl)NC(Nc2ccc(cc2)OC(C)(C)C(O)=O)=O,,OYJPTSMWFKGZJM-UHFFFAOYSA-N
BMGC_DG04984,BMG_DG112895,C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O,c1(cc(ccc1)C(O)=O)Oc2ccccc2,"InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)",NXTDJHZGHOFSQG-UHFFFAOYSA-N
BMGC_DG04985,BMG_DG112914,C[C@@H]1CC2=CC(=O)CCC2C3C1C4CCC(C4(CC3)C)O,,"InChI=1S/C19H28O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h10-11,14-18,21H,3-9H2,1-2H3/t11-,14?,15?,16?,17?,18?,19?/m1/s1",YSGQGNQWBLYHPE-BRIGUCEYSA-N
BMGC_DG04986,BMG_DG112926,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CCCC3=CC=CC=C23,c12C(c3ccc(OC(C(=O)O)(C)C)cc3)CCCc1cccc2,"InChI=1S/C20H22O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18H,5,7,9H2,1-2H3,(H,21,22)",XJGBDJOMWKAZJS-UHFFFAOYSA-N
BMGC_DG04987,BMG_DG112930,CC1=NC(=CC(=N1)OC)NS(=O)(=O)C2=CC=C(C=C2)N,c1(NS(c2ccc(N)cc2)(=O)=O)cc(nc(n1)C)OC,"InChI=1S/C12H14N4O3S/c1-8-14-11(7-12(15-8)19-2)16-20(17,18)10-5-3-9(13)4-6-10/h3-7H,13H2,1-2H3,(H,14,15,16)",QKLSCPPJEVXONT-UHFFFAOYSA-N
BMGC_DG04988,BMG_DG112982,C1=CSC(=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-],c1(sc(NC(c2sccc2)=O)nc1)[N+]([O-])=O,"InChI=1S/C8H5N3O3S2/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14/h1-4H,(H,9,10,12)",ZLOXYEZYWCTXHU-UHFFFAOYSA-N
BMGC_DG04989,BMG_DG112985,,C([C@H](CCC(=O)O)NC(c1ccc(cc1)N)=O)(=O)O,,GADGMZDHLQLZRI-VIFPVBQESA-N
BMGC_DG04990,BMG_DG112988,C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O,[C@@]1([C@]([C@H](C)O[C@H]1O[C@@]2([C@H]([C@H](O)[C@H]([C@@H]([C@H]2O)O)NC(=N)N)NC(=N)N)[H])(C=O)O)(O[C@H]3[C@H]([C@H](O)[C@H]([C@@H](O3)CO)O)NC)[H],"InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1",UCSJYZPVAKXKNQ-HZYVHMACSA-N
BMGC_DG04991,BMG_DG113004,C(=O)([O-])[O-],[O-]C([O-])=O,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2",BVKZGUZCCUSVTD-UHFFFAOYSA-L
BMGC_DG04992,BMG_DG113013,,C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c2ncnc3N,,CWWYMWDIYBJVLP-YTMOPEAISA-N
BMGC_DG04993,BMG_DG113026,CN1CCN(CC1)C(=O)C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC,,"InChI=1S/C23H25N3O3S/c1-25-12-14-26(15-13-25)23(27)22-24-20(16-4-8-18(28-2)9-5-16)21(30-22)17-6-10-19(29-3)11-7-17/h4-11H,12-15H2,1-3H3",UBHKJRYGKOSQDJ-UHFFFAOYSA-N
BMGC_DG04994,BMG_DG113042,,C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(CC3)=CC(CC4)=O)[H])[H])(CC=C2c5cccnc5)[H],,GYJZZAJJENTSTP-NHFPKVKZSA-N
BMGC_DG04995,BMG_DG113045,CC(C)C1=NC(=NC(=C1)C2=CC=C(C3=CC=CC=C32)F)N,c1(nc(N)nc(c1)C(C)C)-c2c3c(cccc3)c(cc2)F,"InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)",ZZZQXCUPAJFVBN-UHFFFAOYSA-N
BMGC_DG04996,BMG_DG113046,CC1=C2C(=CNC2=C(C=C1)NS(=O)(=O)C3=CC=CC(=C3)C#N)C#N,c1(cc(ccc1)C#N)S(=O)(=O)Nc2ccc(c3c(c[nH]c23)C#N)C,"InChI=1S/C17H12N4O2S/c1-11-5-6-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-4-2-3-12(7-14)8-18/h2-7,10,20-21H,1H3",LWGUASZLXHYWIV-UHFFFAOYSA-N
BMGC_DG04997,BMG_DG113050,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC(=C3)O)O,c1(cc(cc2C(c3ccccc3C(c21)=O)=O)O)O,"InChI=1S/C14H8O4/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,15-16H",WPWWKBNOXTZDQJ-UHFFFAOYSA-N
BMGC_DG04998,BMG_DG113051,,c1c(cc2c(c1O)C(c3c(C2=O)cc(cc3O)C)=O)O[C@@H]4O[C@H]([C@@H]([C@H]([C@H]4O)O)O)C,,DTTVUKLWJFJOHO-FUCRAMRQSA-N
BMGC_DG04999,BMG_DG113059,,O(c1c(OC)cc2c3[C@@]([H])(N(CC2)C)Cc4cc5OCOc5cc4-c31)C,,WSVWKHTVFGTTKJ-AWEZNQCLSA-N
BMGC_DG05000,BMG_DG113069,C1=CN(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,n1(cc/c(/[nH]c1=O)=N/O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)CO,"InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1",XCUAIINAJCDIPM-XVFCMESISA-N
BMGC_DG05001,BMG_DG113079,CC1=CC2=C(C=C1)N(C3=C2CN(CC3)C)CCC4=CN=C(C=C4)C,c1cc(CCn2c3c(cc(cc3)C)c4c2CCN(C4)C)cnc1C,"InChI=1S/C21H25N3/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17/h4-7,12-13H,8-11,14H2,1-3H3",JNODQFNWMXFMEV-UHFFFAOYSA-N
BMGC_DG05002,BMG_DG113139,CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O,,"InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)",APKFDSVGJQXUKY-UHFFFAOYSA-N
BMGC_DG05003,BMG_DG113149,[H+].[H+].CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=CC=C(C=C1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3],c1c(cccc1)COCC(C(=O)[O-])N(CC(=O)[O-])CCN(CC([O-])=O)CCN(CC(=O)[O-])CC(=O)[O-].[Gd+3].[H+].O[C@@H]([C@@H](O)[C@H](O)[C@@H](O)CNC)CO.O[C@@H]([C@@H](O)[C@H](O)[C@@H](O)CNC)CO.[H+],"InChI=1S/C22H31N3O11.2C7H17NO5.Gd/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1",OCDAWJYGVOLXGZ-VPVMAENOSA-K
BMGC_DG05004,BMG_DG113151,C1COCCN1C2=NC=C(C=C2)C3=NC4=NC=NC(=C4C(=C3)C5=CC(=CC=C5)Br)N,c1nc2c(c(n1)N)c(cc(n2)-c3cnc(cc3)N4CCOCC4)-c5cc(ccc5)Br,"InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)",RQCXKDWOCUJWQZ-UHFFFAOYSA-N
BMGC_DG05005,BMG_DG113185,C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3,c1(-c2ccco2)[nH]c3ccccc3n1,"InChI=1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)",UYJUZNLFJAWNEZ-UHFFFAOYSA-N
BMGC_DG05006,BMG_DG113201,,C(CCCCCCCC)CCCNC(C)=O,,MDYPFOFSXHBHFE-UHFFFAOYSA-N
BMGC_DG05007,BMG_DG113208,,Nc1c2c(nc3cccc(Cl)c13)CCCC2,,KVGMGGLTJLJDFE-UHFFFAOYSA-N
BMGC_DG05008,BMG_DG113211,,C(C(c1ccccc1)(c2ccccc2)OC)(C(=O)O)Oc3nc(C)cc(n3)C,,OUJTZYPIHDYQMC-UHFFFAOYSA-N
BMGC_DG05009,BMG_DG113242,CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C,c1(c(OCC(CNC(C)C)O)ccc(NC(=O)CCC)c1)C(=O)C,"InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)",GOEMGAFJFRBGGG-UHFFFAOYSA-N
BMGC_DG05010,BMG_DG113252,,c12C(O[C@@](c1ccc(c2OC)OC)([C@]3(c4c(cc5c(c4)OCO5)CCN3C)[H])[H])=O,,JZUTXVTYJDCMDU-MOPGFXCFSA-N
BMGC_DG05011,BMG_DG113258,,[N+](CCOC(=O)C(c1ccccc1)c2ccccc2)(C)(CC)CC.[Br-],,WMUOPJLADBOCIX-UHFFFAOYSA-M
BMGC_DG05012,BMG_DG113285,CC(=O)OC1CN2CCC1CC2,N12CC(OC(=O)C)C(CC1)CC2,"InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3",WRJPSSPFHGNBMG-UHFFFAOYSA-N
BMGC_DG05013,BMG_DG113351,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O,n1(c(c(CC(=O)OCC(=O)O)c2c1ccc(OC)c2)C)C(c3ccc(cc3)Cl)=O,"InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)",FSQKKOOTNAMONP-UHFFFAOYSA-N
BMGC_DG05014,BMG_DG113395,,O=C(O)c1ccccc1NC2CCCCC2,,JSXMFCCPQQJLCR-UHFFFAOYSA-N
BMGC_DG05015,BMG_DG113404,COC1=CC(=CC(=C1O)O)C(=O)O,c1(cc(cc(c1O)O)C(O)=O)OC,"InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)",KWCCUYSXAYTNKA-UHFFFAOYSA-N
BMGC_DG05016,BMG_DG113409,CC(=O)NC1=CC=C(C=C1)O,C(Nc1ccc(cc1)O)(=O)C,"InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)",RZVAJINKPMORJF-UHFFFAOYSA-N
BMGC_DG05017,BMG_DG113439,,c1(cc(c(O)cc1)OC)C(OC)=O,,BVWTXUYLKBHMOX-UHFFFAOYSA-N
BMGC_DG05018,BMG_DG113462,CC(=O)NC1=C(C=CC(=C1)[As](=O)(O)O)O,[As](c1cc(NC(=O)C)c(cc1)O)(=O)(O)O,"InChI=1S/C8H10AsNO5/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)(H2,13,14,15)",ODFJOVXVLFUVNQ-UHFFFAOYSA-N
BMGC_DG05019,BMG_DG113493,CC(=O)NC1=NN=C(S1)S(=O)(=O)N,c1(S(=O)(=O)N)sc(NC(=O)C)nn1,"InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)",BZKPWHYZMXOIDC-UHFFFAOYSA-N
BMGC_DG05020,BMG_DG113500,CN1CCC(=C2C3=CC=CC=C3CCC4=C2N=CC=C4)CC1,C1(c2ncccc2CCc3c1cccc3)=C4CCN(CC4)C,"InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3",SEBMTIQKRHYNIT-UHFFFAOYSA-N
BMGC_DG05021,BMG_DG113517,C1CN(CC(=C1)C(=O)O)CCOC(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F,C=1(C(=O)O)CN(CCOC(c2ccc(C(F)(F)F)cc2)c3ccc(C(F)(F)F)cc3)CCC1,"InChI=1S/C23H21F6NO3/c24-22(25,26)18-7-3-15(4-8-18)20(16-5-9-19(10-6-16)23(27,28)29)33-13-12-30-11-1-2-17(14-30)21(31)32/h2-10,20H,1,11-14H2,(H,31,32)",CMHQDSBIBSKHFP-UHFFFAOYSA-N
BMGC_DG05022,BMG_DG113538,C1[C@@H](OC2=CC=CC=C2O1)CNCCCOC3=CC4=C(C=C3)OCO4.Cl,c1c2OCOc2ccc1OCCCNC[C@H]3COc4c(cccc4)O3.Cl,"InChI=1S/C19H21NO5.ClH/c1-2-5-18-16(4-1)22-12-15(25-18)11-20-8-3-9-21-14-6-7-17-19(10-14)24-13-23-17;/h1-2,4-7,10,15,20H,3,8-9,11-13H2;1H/t15-;/m0./s1",GGNCUSDIUUCNKE-RSAXXLAASA-N
BMGC_DG05023,BMG_DG113541,C1CCNC2=C(C1)C=CC(=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4,C1CCNc2c(C1)ccc(c2)C(=O)CCC3CCN(CC3)Cc4ccccc4,"InChI=1S/C25H32N2O/c28-25(23-11-10-22-8-4-5-15-26-24(22)18-23)12-9-20-13-16-27(17-14-20)19-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,20,26H,4-5,8-9,12-17,19H2",PMBLXLOXUGVTGB-UHFFFAOYSA-N
BMGC_DG05024,BMG_DG113543,C1CC2=CC=CC=C2O[C@H]1CNCCCCN3C(=O)C4=CC=CC=C4S3(=O)=O,S1(N(C(=O)c2c1cccc2)CCCCNC[C@@H]3Oc4ccccc4CC3)(=O)=O,"InChI=1S/C21H24N2O4S/c24-21-18-8-2-4-10-20(18)28(25,26)23(21)14-6-5-13-22-15-17-12-11-16-7-1-3-9-19(16)27-17/h1-4,7-10,17,22H,5-6,11-15H2/t17-/m1/s1",YGYBFMRFXNDIPO-QGZVFWFLSA-N
BMGC_DG05025,BMG_DG113578,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2,S(NC(NC1CCCCC1)=O)(c2ccc(cc2)C(=O)C)(=O)=O,"InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)",VGZSUPCWNCWDAN-UHFFFAOYSA-N
BMGC_DG05026,BMG_DG113589,C(CCN=C(N)N)CN,C(NC(N)=N)CCCN,"InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)",QYPPJABKJHAVHS-UHFFFAOYSA-N
BMGC_DG05027,BMG_DG113590,CC(=O)NO,C(=O)(NO)C,"InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)",RRUDCFGSUDOHDG-UHFFFAOYSA-N
BMGC_DG05028,BMG_DG113595,,c1cc(cc(c1)F)Cn2ccnc2,,CJNXVRZKOSWWND-UHFFFAOYSA-N
BMGC_DG05029,BMG_DG113602,C1=CC2=C(C=CC(=C2N=C1)O)[N+](=O)[O-],c1cc2c(ccc(c2nc1)O)[N+](=O)[O-],"InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H",RJIWZDNTCBHXAL-UHFFFAOYSA-N
BMGC_DG05030,BMG_DG113615,,N=C(N)SCc1ccccc1Cl,,SFKYKNIIEFCNBX-UHFFFAOYSA-N
BMGC_DG05031,BMG_DG113616,,CNC(=O)N1c2ccccc2Sc3ccccc13,,VBZPZJCWSNLVCY-UHFFFAOYSA-N
BMGC_DG05032,BMG_DG113629,CC(C[N+](C)(C)C)OC(=O)C,[N+](CC(OC(=O)C)C)(C)(C)C,"InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1",NZWOPGCLSHLLPA-UHFFFAOYSA-N
BMGC_DG05033,BMG_DG113630,,CC1(C)N(C(N)=NC(=N1)N)c2ccccc2,,VMVKLCXTXSSZSI-UHFFFAOYSA-N
BMGC_DG05034,BMG_DG113631,C1=CC(=CC=C1N=C(N)N=C(N)N)Cl,N(C(=N)NC(=N)N)c1ccc(cc1)Cl,"InChI=1S/C8H10ClN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)",HTYFFCPFVMJTKM-UHFFFAOYSA-N
BMGC_DG05035,BMG_DG113645,C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,O([C@@H]1Cc2c(cc(O)cc2O[C@H]1c3cc(O)c(O)c(O)c3)O)C(c4cc(O)c(O)c(O)c4)=O,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1",WMBWREPUVVBILR-NQIIRXRSSA-N
BMGC_DG05036,BMG_DG113647,CC(C)CC(C(=O)O)NC(=O)C,C(CC(C)C)(NC(C)=O)C(O)=O,"InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)",WXNXCEHXYPACJF-UHFFFAOYSA-N
BMGC_DG05037,BMG_DG113703,COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O,S(c1cc(C(=O)c2ccccc2)c(cc1OC)O)(=O)(=O)O,"InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)",CXVGEDCSTKKODG-UHFFFAOYSA-N
BMGC_DG05038,BMG_DG113704,,N1(c2c(cccc2)C)C(C=CC1=O)=O,,QYOJZFBQEAZNEW-UHFFFAOYSA-N
BMGC_DG05039,BMG_DG113706,,c1(ccccc1)C(C(NC(NC(C)=O)=O)=O)CC,,GBPZSCQLDXUGNO-UHFFFAOYSA-N
BMGC_DG05040,BMG_DG113723,,,,
BMGC_DG05041,BMG_DG113770,,c1(cccc(c1)Cl)CC(N)C,,ORWQJKNRYUIFJU-UHFFFAOYSA-N
BMGC_DG05042,BMG_DG113800,,[N+](=O)([O-])c1c(c(cc(c1)-c2ccccc2)[N+](=O)[O-])O,,TYLHNVQINZRZFJ-UHFFFAOYSA-N
BMGC_DG05043,BMG_DG113806,CC(=O)NCCCCCC(=O)O,CC(=O)NCCCCCC(O)=O,"InChI=1S/C8H15NO3/c1-7(10)9-6-4-2-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)",WDSCBUNMANHPFH-UHFFFAOYSA-N
BMGC_DG05044,BMG_DG113818,CCN(CC)CCN1C2=C(C=CC(=C2)OC)C3=C1[C@H]4C[C@H]5[C@H](C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC)CN4CC3,c12n(CCN(CC)CC)c3cc(OC)ccc3c1CCN4C[C@@]5([C@@]([H])([C@@H]([C@@H](OC)[C@@H](C5)OC(=O)c6cc(c(c(c6)OC)OC)OC)C(=O)OC)C[C@]24[H])[H],"InChI=1S/C39H53N3O9/c1-9-40(10-2)15-16-42-29-20-25(45-3)11-12-26(29)27-13-14-41-22-24-19-33(37(49-7)34(39(44)50-8)28(24)21-30(41)35(27)42)51-38(43)23-17-31(46-4)36(48-6)32(18-23)47-5/h11-12,17-18,20,24,28,30,33-34,37H,9-10,13-16,19,21-22H2,1-8H3/t24-,28+,30-,33-,34+,37+/m1/s1",WFTSRDISOMSAQC-ZNFOTRSXSA-N
BMGC_DG05045,BMG_DG113824,C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)CC5CC5,OC[C@H](c1ccccc1)C(=O)O[C@H]2C[C@H]3[C@H]4[C@@H]([C@H]([N+]3(C)CC5CC5)C2)O4,"InChI=1S/C21H28NO4/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14/h2-6,13,15-20,23H,7-12H2,1H3/q+1/t15?,16-,17-,18+,19-,20+,22?/m1/s1",QVVOZYKELHAIPX-MWGADRMYSA-N;QVVOZYKELHAIPX-WVHCHWADSA-N
BMGC_DG05046,BMG_DG113861,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC(=C)[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,[C@]12([C@]([C@]3([C@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([H])[C@H](C1)O)[H])(CC([C@@]2(C(=O)CO)O)=C)[H])C,"InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,15-17,19,23,25,27H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17-,19+,20-,21-,22-/m0/s1",WSVOMANDJDYYEY-CWNVBEKCSA-N
BMGC_DG05047,BMG_DG113866,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C,N12[C@@]([C@H](NC([C@H](S(O)(=O)=O)c3ccccc3)=O)C1=O)(SC([C@@H]2C(O)=O)(C)C)[H],"InChI=1S/C16H18N2O7S2/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25)/t9-,10-,11+,14-/m1/s1",JETQIUPBHQNHNZ-NJBDSQKTSA-N
BMGC_DG05048,BMG_DG113879,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-][C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3],,"InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+3/p-2/t31?,34?,35?,36?,37?,41-,52-,53-,56?,57+,59?,60?,61?,62?;4-,6-,7-,10-;/m11./s1",OAJLVMGLJZXSGX-CXGXMSGESA-L
BMGC_DG05049,BMG_DG113882,CCN1[C@@H]2CC[C@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4,N1(CC)[C@H]2CC[C@@H]1C[C@@H](C2)OC(c3ccccc3)c4ccccc4,"InChI=1S/C22H27NO/c1-2-23-19-13-14-20(23)16-21(15-19)24-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-22H,2,13-16H2,1H3/t19-,20+,21?",PHTMLLGDZBZXMW-AERCQKQUSA-N;PHTMLLGDZBZXMW-WCRBZPEASA-N
BMGC_DG05050,BMG_DG113909,C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC=CC=C2O)C(C)C,C(c1c(O)cccc1)(O[C@H]2[C@@H](CC[C@H](C2)C)C(C)C)=O,"InChI=1S/C17H24O3/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16,18H,8-10H2,1-3H3/t12-,13+,16-/m1/s1",SJOXEWUZWQYCGL-DVOMOZLQSA-N
BMGC_DG05051,BMG_DG113917,,C(N/C=C\1/C(N[C@@]([C@@]2(NC(NCC2)=N)[H])(C(NC[C@@H](C(N[C@H](C(N[C@H](C(N1)=O)CO)=O)CO)=O)NC(C[C@H]([C@@H](CCN)O)N)=O)=O)[H])=O)(N)=O,,HPWIIERXAFODPP-GHBBWTPBSA-N
BMGC_DG05052,BMG_DG113921,C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2OC=O)O[C@@H]3[C@H](O[C@H](C[C@@H]3OC=O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(C[C@@H]([C@@H]7C8=CC(=O)OC8)OC=O)O)C)C)C)C)OC=O)OC=O,[C@H]1([C@@H](OC=O)[C@H](C[C@@H](O1)O[C@H]2[C@H](C[C@@H](O[C@@H]2C)O[C@H]3[C@@H](OC=O)C[C@H](O[C@@H]4C[C@@]5([C@](CC4)([C@@]6([C@@](CC5)([C@@]7([C@](CC6)([C@H]([C@H](C7)OC=O)C=8COC(C8)=O)C)O)[H])[H])C)[H])O[C@@H]3C)OC=O)OC=O)C,"InChI=1S/C46H64O19/c1-24-41(59-23-51)32(55-19-47)14-38(60-24)64-43-26(3)62-39(16-34(43)57-21-49)65-42-25(2)61-37(15-33(42)56-20-48)63-29-8-10-44(4)28(13-29)6-7-31-30(44)9-11-45(5)40(27-12-36(52)54-18-27)35(58-22-50)17-46(31,45)53/h12,19-26,28-35,37-43,53H,6-11,13-18H2,1-5H3/t24-,25-,26-,28-,29+,30+,31-,32+,33+,34+,35+,37+,38+,39+,40+,41-,42-,43-,44+,45-,46+/m1/s1",DOMHWKQEPDYUQX-LJAQBGIBSA-N
BMGC_DG05053,BMG_DG113928,,C([C@]12CC[C@H](O[C@]3([H])O[C@H](C)[C@@H](O[C@@]4([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)O4)[C@@H](OC)C3)C[C@@]1(O)CC[C@@]6([H])[C@]7(CC[C@H](C8=CC(=O)OC8)[C@@]7(C)CC[C@@]62[H])O)=O,,GILGYKHFZXQALF-FBPIOBPTSA-N
BMGC_DG05054,BMG_DG113973,C1C[C@H]2CN3C(=NN=C3[C@H]2C1)CCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F,,"InChI=1S/C21H26F3N5/c22-21(23,24)16-4-2-5-17(13-16)28-11-9-27(10-12-28)8-7-19-25-26-20-18-6-1-3-15(18)14-29(19)20/h2,4-5,13,15,18H,1,3,6-12,14H2/t15-,18-/m0/s1",BNRMWKUVWLKDQJ-YJBOKZPZSA-N
BMGC_DG05055,BMG_DG113998,CS(=O)(=O)OC[C@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)C)OS(=O)(=O)C)O)O)OS(=O)(=O)C,S(O[C@@H]([C@H]([C@@H]([C@H](OS(C)(=O)=O)COS(C)(=O)=O)O)O)COS(C)(=O)=O)(C)(=O)=O,"InChI=1S/C10H22O14S4/c1-25(13,14)21-5-7(23-27(3,17)18)9(11)10(12)8(24-28(4,19)20)6-22-26(2,15)16/h7-12H,5-6H2,1-4H3/t7-,8-,9-,10-/m1/s1",UUVIQYKKKBJYJT-ZYUZMQFOSA-N
BMGC_DG05056,BMG_DG114001,CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.O.O.O.Br,Br.[C@]12(O[C@]2([C@@H]3C[C@H](OC([C@H](CO)c4ccccc4)=O)C[C@H]1N3C)[H])[H].O.O.O,"InChI=1S/C17H21NO4.BrH.3H2O/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;;;;/h2-6,11-16,19H,7-9H2,1H3;1H;3*1H2/t11?,12-,13-,14+,15-,16+;;;;/m1..../s1",LACQPOBCQQPVIT-CQPQIMGBSA-N;LACQPOBCQQPVIT-SEYKEWMNSA-N
BMGC_DG05057,BMG_DG114002,,,,
BMGC_DG05058,BMG_DG114031,,OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n2cnc3c(SCc4c(ccc(c4)[N+](=O)[O-])O)ncnc32,,UNTSTPIAQOSGHD-LSCFUAHRSA-N
BMGC_DG05059,BMG_DG114032,C[C@@]12CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]1CC(CC2)(C)C)C,,"InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20,22-24,32H,9-16,18H2,1-8H3/t20-,22-,23-,24+,27+,28-,29+,30+/m0/s1",UKAIYBGRLWQHDQ-KWRVYEIKSA-N
BMGC_DG05060,BMG_DG114178,CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)OC(=O)C)OC(=O)C,n1([C@H]2[C@@H]([C@H](OC(=O)C)[C@H](O2)COC(=O)C)OC(=O)C)c([nH]c(=O)cc1)=O,"InChI=1S/C15H18N2O9/c1-7(18)23-6-10-12(24-8(2)19)13(25-9(3)20)14(26-10)17-5-4-11(21)16-15(17)22/h4-5,10,12-14H,6H2,1-3H3,(H,16,21,22)/t10-,12-,13-,14-/m1/s1",AUFUWRKPQLGTGF-FMKGYKFTSA-N
BMGC_DG05061,BMG_DG114183,,[nH]1c(-c2cccc(NC(=O)C(=O)O)c2)nnn1,,VWQZJJZGISNFOE-UHFFFAOYSA-N
BMGC_DG05062,BMG_DG114185,,c1cccc(c1)CN2CCN(CC2)Cc3ccccc3,,YPUGLZQRXQQCSX-UHFFFAOYSA-N
BMGC_DG05063,BMG_DG114209,CCC(=O)O[C@@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@@H](C)CN(C)C,[C@]([C@H](CN(C)C)C)(OC(=O)CC)(Cc1ccccc1)c2ccccc2,"InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m0/s1",XLMALTXPSGQGBX-PGRDOPGGSA-N
BMGC_DG05064,BMG_DG114214,,c1(ncncn1)N,,KCZIUKYAJJEIQG-UHFFFAOYSA-N
BMGC_DG05065,BMG_DG114228,,[N+](C)(C)(C)CCOC(C(OC(C)=O)C)=O,,SRZGFCNCQUMTCP-UHFFFAOYSA-N
BMGC_DG05066,BMG_DG114257,,n1cnc2c(c1N([C@@H]3CN(CC[C@@H]3C)C(CC#N)=O)C)cc[nH]2,,UJLAWZDWDVHWOW-WCQYABFASA-N
BMGC_DG05067,BMG_DG114302,,,,
BMGC_DG05068,BMG_DG114303,CCC(C)C(CC)C(=O)N,C(C(C(CC)C)CC)(=O)N,"InChI=1S/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10)",QRCJOCOSPZMDJY-UHFFFAOYSA-N
BMGC_DG05069,BMG_DG114326,C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2,c12c(c(c3ccccc3[nH]1)=O)cccc2,"InChI=1S/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15)",FZEYVTFCMJSGMP-UHFFFAOYSA-N
BMGC_DG05070,BMG_DG114333,,[C@]12(c3c(cccc3CCN1C)-c4c(C2)ccc(OC(C)=O)c4OC(C)=O)[H],,PJAGGJPKGNYFJH-QGZVFWFLSA-N
BMGC_DG05071,BMG_DG114347,,C[n+]1c2cc(ccc2cc3ccc(cc31)N)N,,XSIOKTWDEOJMGG-UHFFFAOYSA-O
BMGC_DG05072,BMG_DG114349,,C(OC(C)C)(c1ccc(cc1)O)=O,,CMHMMKSPYOOVGI-UHFFFAOYSA-N
BMGC_DG05073,BMG_DG114363,CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N,c12c(c3ccc(cc3nc1ccc(c2)OCC)N)N,"InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)",CIKWKGFPFXJVGW-UHFFFAOYSA-N
BMGC_DG05074,BMG_DG114365,,c1(cc(c(O)c(c1)C)C)C#N,,WFYGXOWFEIOHCZ-UHFFFAOYSA-N
BMGC_DG05075,BMG_DG114378,CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C,,"InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)",RJURFGZVJUQBHK-UHFFFAOYSA-N
BMGC_DG05076,BMG_DG114386,,c1(C(Nc2cc(Cl)ccc2)=O)c(ccc(c1)Cl)O,,NXDGLRGDIKDWIF-UHFFFAOYSA-N
BMGC_DG05077,BMG_DG114407,,,,
BMGC_DG05078,BMG_DG114413,C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C,[C@@]12(C([C@@H]([C@H]([C@H]([C@H](OC([C@@H]([C@]([C@@H]([C@]([C@H](C1)C)(O[C@H]3[C@@H]([C@@H](N(C)C)C[C@H](O3)C)OC(=O)C)[H])C)(O[C@@H]4O[C@@H](C)[C@@H]([C@H](C4)OC)OC(=O)C)[H])C)=O)C)C)OC(=O)C)C)=O)OC2,"InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+/m0/s1",LQCLVBQBTUVCEQ-QTFUVMRISA-N
BMGC_DG05079,BMG_DG114428,,c1(-c2ccccc2)cc(c(O)nc1C)C#N,,OEKMRMSCUYJJHJ-UHFFFAOYSA-N
BMGC_DG05080,BMG_DG114456,,N1(C[C@@H](c2cc(O)ccc2)CCC1)CCC,,HTSNFXAICLXZMA-ZDUSSCGKSA-N
BMGC_DG05081,BMG_DG114491,,C(=CCN1CCCCC1)(c2ccccc2)c3ccccc3,,MOCURCBRVYTAME-UHFFFAOYSA-N
BMGC_DG05082,BMG_DG114495,,n1(-c2c(cc(cc2Cl)Cl)Cl)nc(Nc3ccc([N+]([O-])=O)cc3)cc1O,,IEBMONBOLZSCDK-UHFFFAOYSA-N
BMGC_DG05083,BMG_DG114501,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O,n1([C@H]2C[C@H](O)[C@@H](CO)O2)cnc3c(nc(Cl)nc31)N,"InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1",PTOAARAWEBMLNO-KVQBGUIXSA-N
BMGC_DG05084,BMG_DG114529,CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O,C(CC[N+](CC)(CC)CC)(c1ccccc1)(C2CCCCC2)O,"InChI=1S/C21H36NO/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3/q+1",NPRHVSBSZMAEIN-UHFFFAOYSA-N
BMGC_DG05085,BMG_DG114530,C(C(=O)O)(NC(=O)N)NC(=O)N,C(NC(N)=O)(NC(N)=O)C(=O)O,"InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)",NUCLJNSWZCHRKL-UHFFFAOYSA-N
BMGC_DG05086,BMG_DG114539,CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2,C(C(c1ccccc1)c2ccccc2)(=O)OCCN(CC)CC,"InChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3",JGOAIQNSOGZNBX-UHFFFAOYSA-N
BMGC_DG05087,BMG_DG114543,C[N+](C)(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)[O-],C[N+](C)(CCC=C1c2ccccc2CCc3ccccc31)[O-],"InChI=1S/C20H23NO/c1-21(2,22)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3",ZPMKQFOGINQDAM-UHFFFAOYSA-N
BMGC_DG05088,BMG_DG114607,CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)CCC(=O)O)C,c12c(c(C)c(c(c1C)C)OC(=O)CCC(=O)O)CC[C@](O2)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C,"InChI=1S/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)/t23-,24-,33-/m1/s1",IELOKBJPULMYRW-NJQVLOCASA-N
BMGC_DG05089,BMG_DG114624,,O(c1c(CC=C)cccc1)C[C@@H](CNC(C)C)O,,PAZJSJFMUHDSTF-CQSZACIVSA-N
BMGC_DG05090,BMG_DG114650,C(CSC(=N)N)N,NC(SCCN)=N,"InChI=1S/C3H9N3S/c4-1-2-7-3(5)6/h1-2,4H2,(H3,5,6)",NWPCXGGYSQHQGM-UHFFFAOYSA-N
BMGC_DG05091,BMG_DG114654,CN1[C@@H]2CC[C@H]1CC(C2)OC3C4=CC=CC=C4CCC5=CC=CC=C35,C1[C@H]2N(C)[C@H](CC2)C[C@@H]1OC3c4c(cccc4)CCc5c3cccc5,"InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3/t18-,19+,20?",ZWPODSUQWXAZNC-YOFSQIOKSA-N;ZWPODSUQWXAZNC-PMOLBWCYSA-N
BMGC_DG05092,BMG_DG114667,C1(C(=O)NC(=O)N1)NC(=O)N,N1C(NC(C1=O)NC(=O)N)=O,"InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)",POJWUDADGALRAB-UHFFFAOYSA-N
BMGC_DG05093,BMG_DG114674,,CCCc1c(ccc2CC[C@@H](CCC(=O)O)Oc21)OCCCOc3ccc(c(c3CC4CC4)OC)C(=O)NC,,YWYUQSGYKDEAMJ-QFIPXVFZSA-N
BMGC_DG05094,BMG_DG114681,,c1(n(nc(c1)C(F)(F)F)-c2cc3c(noc3cc2)N)C(Nc4c(cc(-n5c(ncc5)CN(C)C)cc4)F)=O,,OFJRNBWSFXEHSA-UHFFFAOYSA-N
BMGC_DG05095,BMG_DG114683,CC1C2=CC=CC=C2CCN1C3=NC(=NC(=C3C)C)NC4=CC=C(C=C4)F,c1(nc(c(c(n1)C)C)N2C(c3ccccc3CC2)C)Nc4ccc(cc4)F,"InChI=1S/C22H23FN4/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3/h4-11,16H,12-13H2,1-3H3,(H,24,25,26)",LECZXZOBEZITCL-UHFFFAOYSA-N
BMGC_DG05096,BMG_DG114684,CC[C@H]1C(=NN=C(C2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C,c1(c(cc2C(c3ccc(c(c3)OC)OC)=NN=C(C)[C@@H](c2c1)CC)OC)OC,"InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3/t15-/m0/s1",RUJBDQSFYCKFAA-HNNXBMFYSA-N
BMGC_DG05097,BMG_DG114685,C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C4=C(C=C(C=C4)Cl)C(=C3CCNS(=O)(=O)CC5=CC(=C(C=C5)Cl)Cl)CCOC6=CC=C(C=C6)C(=O)O,n1(c(c(CCOc2ccc(C(=O)O)cc2)c3c1ccc(c3)Cl)CCNS(=O)(=O)Cc4cc(c(Cl)cc4)Cl)C(c5ccccc5)c6ccccc6,"InChI=1S/C39H33Cl3N2O5S/c40-30-14-18-36-33(24-30)32(20-22-49-31-15-12-29(13-16-31)39(45)46)37(19-21-43-50(47,48)25-26-11-17-34(41)35(42)23-26)44(36)38(27-7-3-1-4-8-27)28-9-5-2-6-10-28/h1-18,23-24,38,43H,19-22,25H2,(H,45,46)",FMMCHWHNSUBYAV-UHFFFAOYSA-N
BMGC_DG05098,BMG_DG114688,,N1C(SC(C1=O)Cc2cc3ccc(OCc4c(F)cccc4)cc3cc2)=O,,PKWDZWYVIHVNKS-UHFFFAOYSA-N
BMGC_DG05099,BMG_DG114692,CCC(=O)O[C@]1(CCN(C[C@H]1C)C)C2=CC=CC=C2,,"InChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3/t13-,16+/m1/s1",UVAZQQHAVMNMHE-CJNGLKHVSA-N
BMGC_DG05100,BMG_DG114718,,CC(C)(C)c1c(c(cc(c1)C=C(C#N)C#N)Br)O,,ABBADGFSRBWENF-UHFFFAOYSA-N
BMGC_DG05101,BMG_DG114726,,c1(-c2nc(ccc2)C)nc(ccc1)C,,OHJPGUSXUGHOGE-UHFFFAOYSA-N
BMGC_DG05102,BMG_DG114740,C1=CC(=C(C=C1C=C(C#N)C#N)O)[N+](=O)[O-],[N+](c1c(cc(C=C(C#N)C#N)cc1)O)([O-])=O,"InChI=1S/C10H5N3O3/c11-5-8(6-12)3-7-1-2-9(13(15)16)10(14)4-7/h1-4,14H",DUQADSPERJRQBW-UHFFFAOYSA-N
BMGC_DG05103,BMG_DG114747,,O(c1c(CC=C)cccc1)C[C@H](CNC(C)C)O,,PAZJSJFMUHDSTF-AWEZNQCLSA-N
BMGC_DG05104,BMG_DG114750,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Cl)C,[C@]12([C@]([C@]3([C@]([C@@]4(C(=CC(C=C4)=O)CC3)C)(Cl)[C@H](C1)O)[H])(C[C@@H]([C@@]2(C(=O)CO)O)C)[H])C,"InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",NBMKJKDGKREAPL-DVTGEIKXSA-N
BMGC_DG05105,BMG_DG114768,,,,
BMGC_DG05106,BMG_DG114769,,Cc1cc2ncc(-c3ccccc3)nc2cc1C,,FQNCLVJEQCJWSU-UHFFFAOYSA-N
BMGC_DG05107,BMG_DG114814,COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC,n1cnc(c2cc(c(cc12)OC)OC)Nc3cc(ccc3)Cl,"InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)",GFNNBHLJANVSQV-UHFFFAOYSA-N
BMGC_DG05108,BMG_DG114820,,C1CCCC1(c2ccccc2)CN,,SJWOFBVBNFLWLP-UHFFFAOYSA-N
BMGC_DG05109,BMG_DG114824,C1=CC(=C(C=C1C=C(C#N)C#N)O)O,c1cc(C=C(C#N)C#N)cc(O)c1O,"InChI=1S/C10H6N2O2/c11-5-8(6-12)3-7-1-2-9(13)10(14)4-7/h1-4,13-14H",VTJXFTPMFYAJJU-UHFFFAOYSA-N
BMGC_DG05110,BMG_DG114833,,C(Cn1ccnc1)(O)c2cc(Cl)c(Cl)cc2,,XALAHDDITRYXTH-UHFFFAOYSA-N
BMGC_DG05111,BMG_DG114847,,,,
BMGC_DG05112,BMG_DG114850,,[N+](CCSC(C)=O)(C)(C)C,,GFFIJCYHQYHUHB-UHFFFAOYSA-N
BMGC_DG05113,BMG_DG114869,C1CCN[C@@H](C1)C2=CN=CC=C2,c1([C@@H]2CCCCN2)cccnc1,"InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2/t10-/m0/s1",MTXSIJUGVMTTMU-JTQLQIEISA-N
BMGC_DG05114,BMG_DG114906,CCCCC1=C(C=C(C=C1)O)O,c1(cc(c(cc1)CCCC)O)O,"InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3",CSHZYWUPJWVTMQ-UHFFFAOYSA-N
BMGC_DG05115,BMG_DG114915,COC1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)NCCO)C4=CC=C(C=C4)OC,,"InChI=1S/C22H21N3O4/c1-27-16-7-3-14(4-8-16)18-19-21(23-11-12-26)24-13-25-22(19)29-20(18)15-5-9-17(28-2)10-6-15/h3-10,13,26H,11-12H2,1-2H3,(H,23,24,25)",ARBUGBBNEFAECO-UHFFFAOYSA-N
BMGC_DG05116,BMG_DG114930,,CCCc1nc(C)cn2c(NC(C)=O)nnc12,,QXRRTQNLNYMWKD-UHFFFAOYSA-N
BMGC_DG05117,BMG_DG114941,CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CN(CC(=O)O)C(=O)OC4=CC=C(C=C4)OC,n1c(oc(c1CCOc2ccc(CN(C(Oc3ccc(cc3)OC)=O)CC(=O)O)cc2)C)-c4ccccc4,"InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33)",IRLWJILLXJGJTD-UHFFFAOYSA-N
BMGC_DG05118,BMG_DG114948,C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)C3=CC=C(C=C3)Cl,c1(c2ccccc2[nH]c1)C[C@H](NC(c3ccc(cc3)Cl)=O)C(=O)O,"InChI=1S/C18H15ClN2O3/c19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24)/t16-/m0/s1",QJERBBQXOMUURJ-INIZCTEOSA-N
BMGC_DG05119,BMG_DG114951,C1=C(C=C(C(=C1O)O)O)C=C(C#N)C#N,C(=C(C#N)C#N)c1cc(O)c(O)c(O)c1,"InChI=1S/C10H6N2O3/c11-4-7(5-12)1-6-2-8(13)10(15)9(14)3-6/h1-3,13-15H",YZOFLYUAQDJWKV-UHFFFAOYSA-N
BMGC_DG05120,BMG_DG114972,CC(C)(C)S(=O)(=O)NC1CCC(CC1)C(=O)NC2=NC=C(C=C2)C(F)(F)F,C(C)(S(N[C@@H]1CC[C@@H](C(=O)Nc2ncc(cc2)C(F)(F)F)CC1)(=O)=O)(C)C,"InChI=1S/C17H24F3N3O3S/c1-16(2,3)27(25,26)23-13-7-4-11(5-8-13)15(24)22-14-9-6-12(10-21-14)17(18,19)20/h6,9-11,13,23H,4-5,7-8H2,1-3H3,(H,21,22,24)",WGEWUYACXPEFPO-UHFFFAOYSA-N;WGEWUYACXPEFPO-AULYBMBSSA-N
BMGC_DG05121,BMG_DG114973,COC1=CC=C(C=C1)C=C(C#N)C#N,,"InChI=1S/C11H8N2O/c1-14-11-4-2-9(3-5-11)6-10(7-12)8-13/h2-6H,1H3",UOHFCPXBKJPCAD-UHFFFAOYSA-N
BMGC_DG05122,BMG_DG114978,,[C@H]([C@@H](O)c1ccccc1)(CNC)c2cc3c(cc2)cccc3,,RSZGIFQDUIROGN-PMACEKPBSA-N
BMGC_DG05123,BMG_DG114979,,[C@@H]([C@H](O)c1ccccc1)(CNC)c2cc3c(cc2)cccc3,,RSZGIFQDUIROGN-WOJBJXKFSA-N
BMGC_DG05124,BMG_DG114989,,Cc1ccccc1CCN,,OWOUKRYOZIZVFK-UHFFFAOYSA-N
BMGC_DG05125,BMG_DG114995,COCCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC,,"InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3",DTJQBBHYRQYDEG-UHFFFAOYSA-N
BMGC_DG05126,BMG_DG115026,,C(=C/CCN(C)C)\c1cccnc1,,ZZHZSKGOOLOJFA-ZZXKWVIFSA-N
BMGC_DG05127,BMG_DG115036,,CCCC(=O)SCC[N+](C)(C)C,,AWBGQVBMGBZGLS-UHFFFAOYSA-N
BMGC_DG05128,BMG_DG115051,C1CC(C2=C1C=C(C=C2)C(=O)O)(C(=O)O)N,,"InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)",LSTPKMWNRWCNLS-UHFFFAOYSA-N
BMGC_DG05129,BMG_DG115105,,c12c(C(=O)N(C1=O)c3ccccc3)ccc(c2)C(O)=O,,LJQKDUGNSCMZSJ-UHFFFAOYSA-N
BMGC_DG05130,BMG_DG115144,,COc1ccc(cc1F)CSc2nnc(-c3ccc4c(c3)OCO4)o2,,TUTZKAQTSPMEBI-UHFFFAOYSA-N
BMGC_DG05131,BMG_DG115157,CC(C(=O)OC(C)(C)CC1=CC=C(C=C1)Cl)N,O(C(=O)C(N)C)C(Cc1ccc(cc1)Cl)(C)C,"InChI=1S/C13H18ClNO2/c1-9(15)12(16)17-13(2,3)8-10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3",FZSPJBYOKQPKCD-UHFFFAOYSA-N
BMGC_DG05132,BMG_DG115158,,C(c1ccc2[nH]cc(c2c1)CCN)(C)=O,,RAUGYAOLAMRLLZ-UHFFFAOYSA-N
BMGC_DG05133,BMG_DG115159,CCCCCCC(C)NN,C(CCCCCC)(NN)C,"InChI=1S/C8H20N2/c1-3-4-5-6-7-8(2)10-9/h8,10H,3-7,9H2,1-2H3",FODQIVGFADUBKE-UHFFFAOYSA-N
BMGC_DG05134,BMG_DG115166,CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC,c1(nc2ccc(cc2[nH]1)SCCC)NC(=O)OC,"InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)",HXHWSAZORRCQMX-UHFFFAOYSA-N
BMGC_DG05135,BMG_DG115173,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C,N12[C@@]([C@H](NC(C(C(=O)O)c3ccccc3)=O)C1=O)(SC([C@@H]2C(=O)O)(C)C)[H],"InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1",FPPNZSSZRUTDAP-UWFZAAFLSA-N
BMGC_DG05136,BMG_DG115174,,c1ccc2c(c1)C(N(C2=O)CC(O)=O)=O,,WQINSVOOIJDOLJ-UHFFFAOYSA-N
BMGC_DG05137,BMG_DG115177,CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O,c1(cc(C(CNC(C)(C)C)O)ccc1O)CO,"InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3",NDAUXUAQIAJITI-UHFFFAOYSA-N
BMGC_DG05138,BMG_DG115270,,,,
BMGC_DG05139,BMG_DG115298,,,,
BMGC_DG05140,BMG_DG115406,C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN,NCCCC(O)(P(O)(=O)O)P(O)(=O)O,"InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)",OGSPWJRAVKPPFI-UHFFFAOYSA-N
BMGC_DG05141,BMG_DG115441,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC,CS(=O)(=O)Nc1cc2c(c(oc2cc1)CCCC)C(c3ccc(cc3)OCCCN(CCCC)CCCC)=O,"InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3",ZQTNQVWKHCQYLQ-UHFFFAOYSA-N
BMGC_DG05142,BMG_DG115443,CCO[C@@H](CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O,S(Oc1ccc(CCOc2ccc(C[C@@H](C(=O)O)OCC)cc2)cc1)(=O)(=O)C,"InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1",CXGTZJYQWSUFET-IBGZPJMESA-N
BMGC_DG05143,BMG_DG115444,CCC(=O)NCC[C@@H]1CCC2=C1C3=C(C=C2)OCC3,c12c3c(OCC3)ccc1CC[C@H]2CCNC(=O)CC,"InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1",YLXDSYKOBKBWJQ-LBPRGKRZSA-N
BMGC_DG05144,BMG_DG115448,CCN(C)C(=O)OC1=CC2=C(CC[C@H]2NCC#C)C=C1,CCN(C(Oc1cc2c(CC[C@H]2NCC#C)cc1)=O)C,"InChI=1S/C16H20N2O2/c1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)20-16(19)18(3)5-2/h1,6,8,11,15,17H,5,7,9-10H2,2-3H3/t15-/m1/s1",LHXOCOHMBFOVJS-OAHLLOKOSA-N
BMGC_DG05145,BMG_DG115449,CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl,c1c(oc(c1)CNCCS(=O)(=O)C)-c2cc3c(ncnc3Nc4ccc(c(c4)Cl)OCc5cccc(c5)F)cc2,"InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)",BCFGMOOMADDAQU-UHFFFAOYSA-N
BMGC_DG05146,BMG_DG115450,CC1(C(=C(C(=O)O1)OCC2CC2)C3=CC=C(C=C3)S(=O)(=O)C)C,c1cc(ccc1C=2C(C)(C)OC(=O)C2OCC3CC3)S(C)(=O)=O,"InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3",FULAPETWGIGNMT-UHFFFAOYSA-N
BMGC_DG05147,BMG_DG115456,,N1(CCN(CC1)Cc2[nH]c(cc2)-c3ccc(cc3)F)c4cccc5ccoc54,,PGNHBJGIQAEIHD-UHFFFAOYSA-N
BMGC_DG05148,BMG_DG115460,C1CCN(CC1)C[C@H](CON=C(C2=C[N+](=CC=C2)[O-])Cl)O,c1[n+](cc(C(=NOC[C@@H](CN2CCCCC2)O)Cl)cc1)[O-],"InChI=1S/C14H20ClN3O3/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17/h4-5,8-9,13,19H,1-3,6-7,10-11H2/t13-/m1/s1",SGEIEGAXKLMUIZ-CYBMUJFWSA-N
BMGC_DG05149,BMG_DG115461,CCCCCC[C@@H](CCC)C(=O)O,C(=O)([C@H](CCC)CCCCCC)O,"InChI=1S/C11H22O2/c1-3-5-6-7-9-10(8-4-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)/t10-/m1/s1",YCYMCMYLORLIJX-SNVBAGLBSA-N
BMGC_DG05150,BMG_DG115466,,CS(=O)(=O)Nc1ccc(cc1)OC[C@H](CNCCOc2ccc(cc2)-n3ccnc3)O,,QZWUQVSQIFFFKY-IBGZPJMESA-N
BMGC_DG05151,BMG_DG115481,C1CN(CCN1CC2=CC(=CC=C2)C3=CC=CC=C3)C4=CC=CC5=C4OC(=O)N5,c1cc(-c2cccc(CN3CCN(CC3)c4c5c(ccc4)[nH]c(o5)=O)c2)ccc1,"InChI=1S/C24H23N3O2/c28-24-25-21-10-5-11-22(23(21)29-24)27-14-12-26(13-15-27)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2,(H,25,28)",CYGODHVAJQTCBG-UHFFFAOYSA-N
BMGC_DG05152,BMG_DG115482,C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)C=CC(=C4)Cl,c1(ccc2c(=O)n(cnc2c1)[C@@H]([C@](Cn3cncn3)(c4ccc(cc4F)F)O)C)Cl,"InChI=1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1",UHIXWHUVLCAJQL-MPBGBICISA-N
BMGC_DG05153,BMG_DG115485,,N(C(=N)NCC(CC)CCCC)C(=N)NCCCCCCNC(NC(=N)NCC(CC)CCCC)=N,,LFVVNPBBFUSSHL-UHFFFAOYSA-N
BMGC_DG05154,BMG_DG115487,,c1(C(Nc2cc(C(F)(F)F)ccc2)=O)c(c(Br)cc(c1)Br)O,,VYKKDKFTDMVOBU-UHFFFAOYSA-N
BMGC_DG05155,BMG_DG115496,CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC,n1c(nc2c(c1N)cc(c(OC)c2)OC)N(CCCNC(C3OCCC3)=O)C,"InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)",WNMJYKCGWZFFKR-UHFFFAOYSA-N
BMGC_DG05156,BMG_DG115499,,c12c([nH]c(c1)C(OCC)=O)ccc(c2)OC,,NPIUAXNFAUGNHP-UHFFFAOYSA-N
BMGC_DG05157,BMG_DG115505,,,,
BMGC_DG05158,BMG_DG115520,CC(C1=CC=C(C=C1)NCC(=C)C)C(=O)O,c1c(C(C)C(O)=O)ccc(c1)NCC(C)=C,"InChI=1S/C13H17NO2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13(15)16/h4-7,10,14H,1,8H2,2-3H3,(H,15,16)",FPHLBGOJWPEVME-UHFFFAOYSA-N
BMGC_DG05159,BMG_DG115551,CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C,c1cc2c(c3c(CCN(C3=O)Cc4c(nc[nH]4)C)n2C)cc1,"InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)",JSWZEAMFRNKZNL-UHFFFAOYSA-N
BMGC_DG05160,BMG_DG115553,,N1(C(C=CC1=O)=O)CCCCCCN2C(C=CC2=O)=O,,PYVHLZLQVWXBDZ-UHFFFAOYSA-N
BMGC_DG05161,BMG_DG115579,,c1ccc(cc1)CSCCc2ccncc2,,PNKGCTZQQQGNKN-UHFFFAOYSA-N
BMGC_DG05162,BMG_DG115580,,Brc1cc(OC)c(OC)cc1S(Nc2ccc(C(F)(F)F)c(O[C@H]3CN(C)CC3)c2)(=O)=O,,BPOWQJYAMDEAFF-CYBMUJFWSA-N
BMGC_DG05163,BMG_DG115591,,N(C(NCCSCc1nc[nH]c1C)=N)[C@@H](Cc2nc[nH]c2)C,,JXJRIXGXPTZOCF-SNVBAGLBSA-N
BMGC_DG05164,BMG_DG115592,CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O,C([C@@H](NC(C[C@H](NC(=O)C)C(=O)O)=O)CCC(=O)O)(=O)O,"InChI=1S/C11H16N2O8/c1-5(14)12-7(11(20)21)4-8(15)13-6(10(18)19)2-3-9(16)17/h6-7H,2-4H2,1H3,(H,12,14)(H,13,15)(H,16,17)(H,18,19)(H,20,21)/t6-,7-/m0/s1",GUCKKCMJTSNWCU-BQBZGAKWSA-N
BMGC_DG05165,BMG_DG115601,,n1c(Nc2ccc(cc2)N3CCOCC3)nc4[nH]cnc4c1NC5CCCCC5,,ZFLJHSQHILSNCM-UHFFFAOYSA-N
BMGC_DG05166,BMG_DG115618,,C(P(=O)(O)c1ccc(cc1)Nc2nc(nc3n(cnc23)CC)N[C@H]4CC[C@@H](CC4)N)P(O)(O)=O,,LIEBLMORCZMNPX-CTYIDZIISA-N
BMGC_DG05167,BMG_DG115622,,,,
BMGC_DG05168,BMG_DG115623,,,,
BMGC_DG05169,BMG_DG115624,,,,
BMGC_DG05170,BMG_DG115627,CC(CC1=CNC2=C1C=C(C=C2)O)N,c1cc(O)cc2c1[nH]cc2CC(N)C,"InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3",LYPCGXKCQDYTFV-UHFFFAOYSA-N
BMGC_DG05171,BMG_DG115631,C1=CC(=CC(=C1)OCC(C(F)F)(F)F)CNCCC2=CNC3=C2C=CC(=C3)F,C(Cc1c[nH]c2cc(ccc12)F)NCc3cc(ccc3)OCC(C(F)F)(F)F,"InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2",YBAWYTYNMZWMMJ-UHFFFAOYSA-N
BMGC_DG05172,BMG_DG115640,,,,
BMGC_DG05173,BMG_DG115644,,,,
BMGC_DG05174,BMG_DG115666,CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC(=O)C,C(c1c(OC(=O)C)cccc1)(Oc2ccc(NC(=O)C)cc2)=O,"InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)",FEJKLNWAOXSSNR-UHFFFAOYSA-N
BMGC_DG05175,BMG_DG115672,COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC,c1(c(c(CN2CCNCC2)ccc1OC)OC)OC,"InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3",UHWVSEOVJBQKBE-UHFFFAOYSA-N
BMGC_DG05176,BMG_DG115674,,C(Oc1c(N)nccc1)(C)c2c(Cl)c(F)ccc2Cl,,IEKMAKBQCRKWLS-UHFFFAOYSA-N
BMGC_DG05177,BMG_DG115675,,C(Oc1c(N)ncc(Br)c1)(C)c2c(Cl)c(F)ccc2Cl,,URFUZAZEKBBCEY-UHFFFAOYSA-N
BMGC_DG05178,BMG_DG115731,,COc1ccc2c(c1)c3ccnc(C)c3n2C,,AJSYZGYPCGTQSU-UHFFFAOYSA-N
BMGC_DG05179,BMG_DG115743,C1CN2C(=N)N([C@H]([C@H]3[C@]2(C1(O)O)NC(=N3)N)COC(=O)N)O,C1(N)=N[C@@]2([C@]3(C(CCN3C(N([C@H]2COC(N)=O)O)=N)(O)O)N1)[H],"InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/t4-,5-,10-/m0/s1",PPEKGEBBBBNZKS-HGRQIUPRSA-N
BMGC_DG05180,BMG_DG115799,C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)CO)O,,"InChI=1S/C36H58O9/c1-31(2)13-15-36(30(43)45-29-28(42)27(41)26(40)22(18-37)44-29)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(39)33(4,19-38)23(32)9-12-35(24,34)6/h7,21-29,37-42H,8-19H2,1-6H3/t21-,22+,23+,24+,25-,26+,27-,28+,29-,32-,33-,34+,35+,36-/m0/s1",WJMMBVSOQPALFO-DLQTVUGOSA-N
BMGC_DG05181,BMG_DG115867,,C1(c2c(CCc3c1cccc3)cccc2)O[C@@H]4C[C@@H]5CC[C@H](C4)[N+]5(C)C,,BADPXOSJBUEVTR-AERCQKQUSA-N
BMGC_DG05182,BMG_DG115925,C1=CC(=CC(=C1)C(=O)NCCS)C(=O)NCCS,C(c1cccc(C(=O)NCCS)c1)(=O)NCCS,"InChI=1S/C12H16N2O2S2/c15-11(13-4-6-17)9-2-1-3-10(8-9)12(16)14-5-7-18/h1-3,8,17-18H,4-7H2,(H,13,15)(H,14,16)",JUTBAVRYDAKVGQ-UHFFFAOYSA-N
BMGC_DG05183,BMG_DG115937,CC(C)NC[C@H](COC1=CC=CC2=CC=CC=C21)O,c12c(OC[C@@H](CNC(C)C)O)cccc1cccc2,"InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1",AQHHHDLHHXJYJD-CQSZACIVSA-N
BMGC_DG05184,BMG_DG115992,C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O,,"InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-17,19,22,24H,3-11H2,1-2H3/t12-,14+,15+,16-,17+,19-,20+,21+/m1/s1",CTTOFMJLOGMZRN-BBWLNIHDSA-N
BMGC_DG05185,BMG_DG116081,CCCCS(=N)(=O)CCC(C(=O)O)N,S(=N)(=O)(CCC(C(=O)O)N)CCCC,"InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)",KJQFBVYMGADDTQ-UHFFFAOYSA-N
BMGC_DG05186,BMG_DG116101,C=CC[N@@+]12[C@@H]3[C@]4(C5=CC=CC=C5N/6[C@H]4/C(=C\N7[C@H]8/C(=C6)/[C@@H]9/C(=C\CO)/C[N@+]4([C@H]([C@]8(C5=CC=CC=C75)CC4)C9)CC=C)/[C@@H](C3)/C(=C\CO)/C1)CC2,OC/C=C\1/C[N@+]2(CC=C)CC[C@@]34c5c(cccc5)N6/C=C/7\[C@@]8([H])[C@]9(CC[N@@+]%10(CC=C)C/C(=C/CO)/[C@@]7(C[C@]%109[H])[H])c%11c(cccc%11)N8/C=C(/[C@]1(C[C@]23[H])[H])\[C@]64[H],"InChI=1S/C44H50N4O2/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2/q+2/b29-13-,30-14-,33-25-,34-26-/t31-,32-,39-,40-,41-,42-,43+,44+,47-,48-/m0/s1",MUQUYTSLDVKIOF-CHJKCJHBSA-N
BMGC_DG05187,BMG_DG116125,CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C,c12c(c(C)c(c(c1C)C)O)CCC(O2)(CCCC(CCCC(CCCC(C)C)C)C)C,"InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3",GVJHHUAWPYXKBD-UHFFFAOYSA-N
BMGC_DG05188,BMG_DG116139,COC1=C(C2=C(C[C@H]3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC,COc1ccc2C[C@]3(c4c(CCN3Cc2c1OC)cc5c(OCO5)c4)[H],"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",VZTUIEROBZXUFA-INIZCTEOSA-N
BMGC_DG05189,BMG_DG116141,CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4,n12-c3c(C(c4ccccc4)=NCc1nnc2C)cc(cc3)Cl,"InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3",VREFGVBLTWBCJP-UHFFFAOYSA-N
BMGC_DG05190,BMG_DG116160,CC(C)NCC(COC1=CC=CC=C1CC=C)O,O(c1c(CC=C)cccc1)CC(CNC(C)C)O,"InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3",PAZJSJFMUHDSTF-UHFFFAOYSA-N
BMGC_DG05191,BMG_DG116161,,c1([nH]c2ccc(cc2o1)Cl)=S,,HAASPZUBSZGCKU-UHFFFAOYSA-N
BMGC_DG05192,BMG_DG116167,C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)O,N1(C(c2cccc3c2c(C1=O)ccc3)=O)CC(O)=O,"InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)",GCUCIFQCGJIRNT-UHFFFAOYSA-N
BMGC_DG05193,BMG_DG116183,C=CCSCC1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,S1(c2c(cc(c(S(=O)(=O)N)c2)Cl)NC(N1)CSCC=C)(=O)=O,"InChI=1S/C11H14ClN3O4S3/c1-2-3-20-6-11-14-8-4-7(12)9(21(13,16)17)5-10(8)22(18,19)15-11/h2,4-5,11,14-15H,1,3,6H2,(H2,13,16,17)",VGLGVJVUHYTIIU-UHFFFAOYSA-N
BMGC_DG05194,BMG_DG116197,CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C,n1c(nc(nc1N(C)C)N(C)C)N(C)C,InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3,UUVWYPNAQBNQJQ-UHFFFAOYSA-N
BMGC_DG05195,BMG_DG116198,C[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C,c12c3c(OC)c(cc1CC[N+]([C@@H]2Cc4cc(Oc5cc6[C@@H]([N+](CCc6cc5OC)(C)C)Cc7ccc(O3)cc7)c(cc4)OC)(C)C)OC,"InChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1",JFXBEKISTKFVAB-AJQTZOPKSA-N
BMGC_DG05196,BMG_DG116201,CCCC[C@@H](C(=O)O)N,CCCC[C@@H](C(O)=O)N,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",LRQKBLKVPFOOQJ-YFKPBYRVSA-N
BMGC_DG05197,BMG_DG116212,,c1(c(nn(c1-c2ccc(cc2)I)-c3c(cc(cc3)Cl)Cl)C(NN4CCCCC4)=O)C,,BUZAJRPLUGXRAB-UHFFFAOYSA-N
BMGC_DG05198,BMG_DG116214,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)C,,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15?,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1",RUDATBOHQWOJDD-BYRKYSOESA-N
BMGC_DG05199,BMG_DG116254,CC1(CCC(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)(C)C)C,c1c2C(C)(C)CCC(c2cc(c1)C(Nc3ccc(cc3)C(O)=O)=O)(C)C,"InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)",SZWKGOZKRMMLAJ-UHFFFAOYSA-N
BMGC_DG05200,BMG_DG116310,C1C2CC3CC1CC(C2)(C3)N,C12(CC3CC(C1)CC(C2)C3)N,"InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2",DKNWSYNQZKUICI-UHFFFAOYSA-N
BMGC_DG05201,BMG_DG116316,C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)Cl,c1nc(Cl)c(cc1)C(Nc2c(cccc2)-c3ccc(cc3)Cl)=O,"InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)",WYEMLYFITZORAB-UHFFFAOYSA-N
BMGC_DG05202,BMG_DG116324,CN1CCN2[C@H]3CCN(C[C@H]3C4=C2C1=CC=C4)CCCC(=O)C5=CC=C(C=C5)F,C(c1ccc(F)cc1)(=O)CCCN2C[C@@]3([H])c4cccc5c4N([C@@]3([H])CC2)CCN5C,"InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3/t20-,21-/m0/s1",HOIIHACBCFLJET-SFTDATJTSA-N
BMGC_DG05203,BMG_DG116335,C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)NS(=O)(=O)C4=CC=C(S4)Cl,C1OCCN(C1)S(=O)(=O)c2ccc(cc2)NC(=O)c3cc(ccc3NS(c4sc(cc4)Cl)(=O)=O)Cl,"InChI=1S/C21H19Cl2N3O6S3/c22-14-1-6-18(25-34(28,29)20-8-7-19(23)33-20)17(13-14)21(27)24-15-2-4-16(5-3-15)35(30,31)26-9-11-32-12-10-26/h1-8,13,25H,9-12H2,(H,24,27)",PQHLRGARXNPFCF-UHFFFAOYSA-N
BMGC_DG05204,BMG_DG116336,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N,c1(C[C@@H]([C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)NC(O[C@H]3CO[C@]4(OCC[C@]43[H])[H])=O)ccccc1,"InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1",CJBJHOAVZSMMDJ-HEXNFIEUSA-N
BMGC_DG05205,BMG_DG116337,C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5,c1ccc(C(C(=O)N2CCN(CC2)CC(COc3c4c(ccc3)nccc4)O)c5ccccc5)cc1,"InChI=1S/C30H31N3O3/c34-25(22-36-28-15-7-14-27-26(28)13-8-16-31-27)21-32-17-19-33(20-18-32)30(35)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,25,29,34H,17-22H2",KLWUUPVJTLHYIM-UHFFFAOYSA-N
BMGC_DG05206,BMG_DG116338,,C(/C(=C/c1oc(cc1)-c2c(ccc(c2)Cl)Cl)/C#N)(=O)Nc3c4cccnc4ccc3,,SVENPFFEMUOOGK-SDNWHVSQSA-N
BMGC_DG05207,BMG_DG116340,COC1=C(C2=C(C=CC(O2)C3CC3)C(=C1)CC4=CN=C(N=C4N)N)OC,n1c(c(Cc2c3C=CC(Oc3c(c(c2)OC)OC)C4CC4)cnc1N)N,"InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)",HWJPWWYTGBZDEG-UHFFFAOYSA-N
BMGC_DG05208,BMG_DG116343,C1CC[C@H]([C@@H](C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)[C@H]6[C@@H]7CC[C@@H](C7)[C@H]6C5=O,N1(C([C@@]2([C@@H]3C[C@H]([C@@]2(C1=O)[H])CC3)[H])=O)C[C@H]4[C@H](CN5CCN(c6nsc7c6cccc7)CC5)CCCC4,"InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1",PQXKDMSYBGKCJA-CVTJIBDQSA-N
BMGC_DG05209,BMG_DG116345,C1CN(CC=C1C2=C(C=C(C=C2F)N3C[C@@H](OC3=O)COC4=NOC=C4)F)C(=O)[C@H](CO)O,o1nc(cc1)OC[C@H]2CN(C(O2)=O)c3cc(c(c(c3)F)C=4CCN(CC4)C([C@H](CO)O)=O)F,"InChI=1S/C21H21F2N3O7/c22-15-7-13(26-9-14(33-21(26)30)11-31-18-3-6-32-24-18)8-16(23)19(15)12-1-4-25(5-2-12)20(29)17(28)10-27/h1,3,6-8,14,17,27-28H,2,4-5,9-11H2/t14-,17+/m1/s1",HBUJYEUPIIJJOS-PBHICJAKSA-N
BMGC_DG05210,BMG_DG116346,,,,
BMGC_DG05211,BMG_DG116347,COC1=C(C=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)N)Cl)F,c1(c(OC)ccc(-c2c(ncn2-c3ccc(cc3)S(=O)(=O)N)Cl)c1)F,"InChI=1S/C16H13ClFN3O3S/c1-24-14-7-2-10(8-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)",KYXDNECMRLFQMZ-UHFFFAOYSA-N
BMGC_DG05212,BMG_DG116349,C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N,[C@]12([C@@H](C(=O)O)[C@@]1(CC[C@]2(C(=O)O)N)[H])[H],"InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1",VTAARTQTOOYTES-RGDLXGNYSA-N
BMGC_DG05213,BMG_DG116351,C1=CC=C(C=C1)C(CO)COC(=O)N,C(OCC(CO)c1ccccc1)(=O)N,"InChI=1S/C10H13NO3/c11-10(13)14-7-9(6-12)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H2,11,13)",JQVQIZWJBLGVRW-UHFFFAOYSA-N
BMGC_DG05214,BMG_DG116352,CC1=C(SCCO1)C(=O)NC2=CC=CC=C2,C1(C(Nc2ccccc2)=O)=C(OCCS1)C,"InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)",GYSSRZJIHXQEHQ-UHFFFAOYSA-N
BMGC_DG05215,BMG_DG116358,CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl,C(C(=O)NCC[N+](Cc1c(Cl)cccc1)(CC)CC)(=O)NCC[N+](Cc2c(Cl)cccc2)(CC)CC,"InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2",OMHBPUNFVFNHJK-UHFFFAOYSA-P
BMGC_DG05216,BMG_DG116370,CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,N12[C@@]([C@H](NC(c3c(noc3C)-c4c(F)cccc4Cl)=O)C1=O)(SC([C@@H]2C(=O)O)(C)C)[H],"InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",UIOFUWFRIANQPC-JKIFEVAISA-N
BMGC_DG05217,BMG_DG116371,C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O,N(Cc1cc(cc(c1N)Br)Br)[C@H]2CC[C@H](O)CC2;N(Cc1cc(cc(c1N)Br)Br)[C@@H]2CC[C@H](O)CC2,"InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2",JBDGDEWWOUBZPM-XYPYZODXSA-N;JBDGDEWWOUBZPM-UHFFFAOYSA-N;JBDGDEWWOUBZPM-PHIMTYICSA-N
BMGC_DG05218,BMG_DG116376,C[N+]1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2,c1(ccccc1)CNC(c2cc[n+](cc2)C)=O,"InChI=1S/C14H14N2O/c1-16-9-7-13(8-10-16)14(17)15-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3/p+1",QOEJDHLJOKRPJG-UHFFFAOYSA-O
BMGC_DG05219,BMG_DG116388,,Cc1ccc(C)n1-c2cccc(c2)C(O)=O,,NJPUZFUOUGTNOV-UHFFFAOYSA-N
BMGC_DG05220,BMG_DG116392,C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNCCO)NCCNCCO,N(CCNc1c2c(C(=O)c3c(C2=O)cccc3)c(NCCNCCO)cc1)CCO,"InChI=1S/C22H28N4O4/c27-13-11-23-7-9-25-17-5-6-18(26-10-8-24-12-14-28)20-19(17)21(29)15-3-1-2-4-16(15)22(20)30/h1-6,23-28H,7-14H2",FFGSXKJJVBXWCY-UHFFFAOYSA-N
BMGC_DG05221,BMG_DG116418,,c1(C(=O)c2ccccc2)c(c(CC(O)=O)ccc1)N,,SOYCMDCMZDHQFP-UHFFFAOYSA-N
BMGC_DG05222,BMG_DG116421,,,,
BMGC_DG05223,BMG_DG116427,,c1(c(c2ccc(nc2n(c1)CC)Cc3ccccc3)=O)C(=O)O,,WHHHJDGNBVQNAU-UHFFFAOYSA-N
BMGC_DG05224,BMG_DG116432,,,,
BMGC_DG05225,BMG_DG116437,C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4,C(Nc1cc(C2=NCCN2)ccc1)(Nc3cc(C4=NCCN4)ccc3)=O,"InChI=1S/C19H20N6O/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26)",SCEVFJUWLLRELN-UHFFFAOYSA-N
BMGC_DG05226,BMG_DG116449,CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I,c1(c(c(NC(=O)C)c(c(c1I)NC(=O)C)I)I)C(=O)O,"InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)",YVPYQUNUQOZFHG-UHFFFAOYSA-N
BMGC_DG05227,BMG_DG116464,C(CN)CNCCSP(=O)(O)O,P(O)(O)(=O)SCCNCCCN,"InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)",JKOQGQFVAUAYPM-UHFFFAOYSA-N
BMGC_DG05228,BMG_DG116500,CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C,c1(cc(c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(c1)C)C)C,"InChI=1S/C20H19N5/c1-13-10-14(2)19(15(3)11-13)24-18-8-9-22-20(25-18)23-17-6-4-16(12-21)5-7-17/h4-11H,1-3H3,(H2,22,23,24,25)",ILAYIAGXTHKHNT-UHFFFAOYSA-N
BMGC_DG05229,BMG_DG116501,C1=CC=C(C(=C1)C2=NN(C(=N2)C3=CC=CC=C3O)C4=CC=C(C=C4)C(=O)O)O,c1(nc(-c2c(O)cccc2)nn1-c3ccc(C(=O)O)cc3)-c4c(O)cccc4,"InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)",BOFQWVMAQOTZIW-UHFFFAOYSA-N
BMGC_DG05230,BMG_DG116502,COC1=C(C=C(C=C1)Cl)[C@]2(C3=C(C=C(C=C3)C(F)(F)F)NC2=O)F,[C@@]1(C(Nc2c1ccc(C(F)(F)F)c2)=O)(c3c(ccc(c3)Cl)OC)F,"InChI=1S/C16H10ClF4NO2/c1-24-13-5-3-9(17)7-11(13)15(18)10-4-2-8(16(19,20)21)6-12(10)22-14(15)23/h2-7H,1H3,(H,22,23)/t15-/m0/s1",ULYONBAOIMCNEH-HNNXBMFYSA-N
BMGC_DG05231,BMG_DG116503,CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)N4C=CC=C4)OC,n1(cccc1)-c2cc3nc([nH]c3cc2)[S+]([O-])Cc4nccc(c4C)OC,"InChI=1S/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)",HRRXCXABAPSOCP-UHFFFAOYSA-N
BMGC_DG05232,BMG_DG116512,C1=CC=C(C(=C1)CO)N,Nc1c(cccc1)CO,"InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2",VYFOAVADNIHPTR-UHFFFAOYSA-N
BMGC_DG05233,BMG_DG116513,,NCCOCCOCCNC(=O)c1ccc(S(N)(=O)=O)cc1,,QGGYVKRXFQLYQD-UHFFFAOYSA-N
BMGC_DG05234,BMG_DG116528,CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N,C1(NC(=O)CCC1(c2ccc(cc2)N)CC)=O,"InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)",ROBVIMPUHSLWNV-UHFFFAOYSA-N
BMGC_DG05235,BMG_DG116533,,c12c(CN3CCCCC3)c[nH]c1cccc2,,HPKXPFRRVVWAPD-UHFFFAOYSA-N
BMGC_DG05236,BMG_DG116538,C(=NN)(N)N,C(=N)(NN)N,"InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)",HAMNKKUPIHEESI-UHFFFAOYSA-N
BMGC_DG05237,BMG_DG116555,C1=CC(=CC=C1C(=O)NCC(=O)O)N,C(=O)(NCC(O)=O)c1ccc(cc1)N,"InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)",HSMNQINEKMPTIC-UHFFFAOYSA-N
BMGC_DG05238,BMG_DG116568,,C(CC(O)CN)(=O)O,,YQGDEPYYFWUPGO-UHFFFAOYSA-N
BMGC_DG05239,BMG_DG116582,CC(=O)CN,C(C(C)=O)N,"InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3",BCDGQXUMWHRQCB-UHFFFAOYSA-N
BMGC_DG05240,BMG_DG116583,,c12c(ccc(c1)[N+]([O-])=O)[nH]nc2,,WSGURAYTCUVDQL-UHFFFAOYSA-N
BMGC_DG05241,BMG_DG116589,,c1(cc(nc(c1)N)C)C,,BRBUBVKGJRPRRD-UHFFFAOYSA-N
BMGC_DG05242,BMG_DG116592,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N,c1(c(c(C)n(n1-c2ccccc2)C)N)=O,"InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3",RLFWWDJHLFCNIJ-UHFFFAOYSA-N
BMGC_DG05243,BMG_DG116593,C1=CC2=C(C=C1Cl)C3=C(O2)C=CC(=C3)Cl,c12c3c(ccc(c3)Cl)oc1ccc(c2)Cl,InChI=1S/C12H6Cl2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H,IVVRJIDVYSPKFZ-UHFFFAOYSA-N
BMGC_DG05244,BMG_DG116598,,COc1c2c3c(c(=O)oc4c3c(ccc4OC)c(=O)o2)c(c1)CCN(C)C,,MTAWKURMWOXCEO-UHFFFAOYSA-N
BMGC_DG05245,BMG_DG116611,CN1C2=C(C(=O)N(C1=O)C)NC=N2,n1(c2c(nc[nH]2)c(n(c1=O)C)=O)C,"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)",ZFXYFBGIUFBOJW-UHFFFAOYSA-N
BMGC_DG05246,BMG_DG116629,,O=C(OCC)c1c(C)n[nH]c1C,,BCKARVLFIJPHQU-UHFFFAOYSA-N
BMGC_DG05247,BMG_DG116639,,c1(nccs1)N,,RAIPHJJURHTUIC-UHFFFAOYSA-N
BMGC_DG05248,BMG_DG116652,,N(c1ncccc1)(Cc2occc2)CCN(C)C,,LUQHAHRMUPOTQK-UHFFFAOYSA-N
BMGC_DG05249,BMG_DG116660,CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I,c1(c(oc2c1cccc2)CCCC)C(c3cc(I)c(c(c3)I)OCCN(CC)CC)=O,"InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3",IYIKLHRQXLHMJQ-UHFFFAOYSA-N
BMGC_DG05250,BMG_DG116691,C1CCN(CC1)C(=O)CCCCCC/C=C/C2=CC3=C(C=C2)OCO3,,"InChI=1S/C21H29NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h6,10,12-13,16H,1-5,7-9,11,14-15,17H2/b10-6+",FAXXHNWVMKTOFF-UXBLZVDNSA-N
BMGC_DG05251,BMG_DG116692,CC1=C2CC(=O)OC(C2=CC[C@]3([C@H]1C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C,,"InChI=1S/C26H32O7/c1-13-15-11-18(27)33-22(3,4)16(15)9-10-24(6)17(13)12-23(5)14(2)26(24,21(30)32-8)20(29)25(7,31)19(23)28/h9,17,31H,2,10-12H2,1,3-8H3/t17-,23+,24-,25-,26-/m0/s1",RBGYOLFHIDJTOX-VMXKAMJHSA-N
BMGC_DG05252,BMG_DG116708,C1=CC=C2C(=C1)C(=O)NS2(=O)=O.[Na+],,"InChI=1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1",WINXNKPZLFISPD-UHFFFAOYSA-N
BMGC_DG05253,BMG_DG116712,CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].[Al+3],[Al+3].CC(=O)CC([O-])=O.CC(=O)CC([O-])=O.CC(=O)CC([O-])=O,"InChI=1S/3C4H6O3.Al/c3*1-3(5)2-4(6)7;/h3*2H2,1H3,(H,6,7);/q;;;+3/p-3",DEVXQDKRGJCZMV-UHFFFAOYSA-K
BMGC_DG05254,BMG_DG116715,CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)[C@H](C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C,C(CCCCCCCCC)(=O)N[C@@H](Cc1c2c([nH]c1)cccc2)C(=O)N[C@H](CC(=O)N)C(=O)N[C@H](C(=O)N[C@H]3[C@@H](C)OC([C@@H](NC([C@@H](NC([C@H](NC(CNC([C@@H](NC([C@H](NC([C@@H](NC(=O)[C@H](CCCN)NC(CNC3=O)=O)CC(O)=O)=O)C)=O)CC(=O)O)=O)=O)CO)=O)[C@@H](CC(=O)O)C)=O)CC(c4ccccc4N)=O)=O)CC(=O)O,"InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37-,43+,44+,45-,46+,47+,48+,49+,50-,60+,61+/m1/s1",DOAKLVKFURWEDJ-QCMAZARJSA-N
BMGC_DG05255,BMG_DG116731,CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC,c1(S(=O)(=O)CC)cc(C(NCC2N(CCC2)CC)=O)c(cc1N)OC,"InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)",NTJOBXMMWNYJFB-UHFFFAOYSA-N
BMGC_DG05256,BMG_DG116738,CC(=CCC1=C(C(=CC(=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)CC=C(C)C)O)O)O)C,c1(cc2c(c(c1CC=C(C)C)O)c(c(co2)-c3cc(c(c(c3)O)O)CC=C(C)C)=O)O,"InChI=1S/C25H26O6/c1-13(2)5-7-15-9-16(10-20(27)23(15)28)18-12-31-21-11-19(26)17(8-6-14(3)4)24(29)22(21)25(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3",QNLGNISMYMFVHP-UHFFFAOYSA-N
BMGC_DG05257,BMG_DG116754,C1CN2C3=C(C4=CC=CC=C4C5=C3C1=CC6=C5OCO6)C(=O)C2=O,,"InChI=1S/C19H11NO4/c21-17-15-11-4-2-1-3-10(11)14-13-9(7-12-18(14)24-8-23-12)5-6-20(16(13)15)19(17)22/h1-4,7H,5-6,8H2",FMLHJJVSHOCVAU-UHFFFAOYSA-N
BMGC_DG05258,BMG_DG116774,C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=C(C=C(C=C3)O)O,,"InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2",QBLQLKNOKUHRCH-UHFFFAOYSA-N
BMGC_DG05259,BMG_DG116775,,C1C[C@]2([C@]([C@@]([C@H]1O)(CO)C)(CC[C@@]3([C@@]2(CC=C4[C@]3(CC[C@@]5([C@]4(CC(CC5)=C)[H])C(=O)O)C)[H])C)[H])C,,FKUBIEWSGBVADJ-VZBPFLCRSA-N
BMGC_DG05260,BMG_DG116798,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31,CN(C)CCC=C1c2ccccc2CCc3ccccc31,"InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3",KRMDCWKBEZIMAB-UHFFFAOYSA-N
BMGC_DG05261,BMG_DG116844,CC(C)C1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)O)N,c12c(nc(c(c1)C(=O)O)N)oc3c(c2=O)cc(cc3)C(C)C,"InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)",SGRYPYWGNKJSDL-UHFFFAOYSA-N
BMGC_DG05262,BMG_DG116858,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN,C=1(C(C(C(=O)OCC)=C(NC1C)COCCN)c2c(Cl)cccc2)C(=O)OC,"InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3",HTIQEAQVCYTUBX-UHFFFAOYSA-N
BMGC_DG05263,BMG_DG116859,CC(C)(C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N2CCC3=NN(C(=O)[C@@]3(C2)CC4=CC=CC=C4)C)N,CC(C(=O)N[C@H](COCc1ccccc1)C(N2C[C@]3(Cc4ccccc4)C(=NN(C3=O)C)CC2)=O)(C)N,"InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1",KVLLHLWBPNCVNR-SKCUWOTOSA-N
BMGC_DG05264,BMG_DG116860,CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N,c1cc(C(N(CCC(=O)O)c2ncccc2)=O)cc3nc(n(c31)C)CNc4ccc(cc4)C(=N)N,"InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)",YBSJFWOBGCMAKL-UHFFFAOYSA-N
BMGC_DG05265,BMG_DG116878,,C1NCCC(C1)CCC(N2CCC[C@H](C2)C(=O)N[C@@H](CC(=O)O)c3cnccc3)=O,,ABNXKGFLZFSILK-MOPGFXCFSA-N
BMGC_DG05266,BMG_DG116881,CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2,S(c1c(C(Cc2cc3OCOc3cc2C)=O)scc1)(Nc4c(c(C)no4)Cl)(=O)=O,"InChI=1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3",PHWXUGHIIBDVKD-UHFFFAOYSA-N
BMGC_DG05267,BMG_DG116882,CO[C@H]1CNCC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl,c1(C(N[C@H]2[C@H](CNCC2)OC)=O)c(cc(c(c1)Cl)N)OC;c1(c(cc(C(N[C@@H]2CCNC[C@@H]2OC)=O)c(c1)OC)Cl)N,"InChI=1S/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19)/t11-,13+/m1/s1",OMLDMGPCWMBPAN-YPMHNXCESA-N
BMGC_DG05268,BMG_DG116883,CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)C,N1(C(c2c(cc(NC(c3c(C)cccc3)=O)cc2)C)=O)c4c(cc(cc4)Cl)C(O)CCC1,"InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)",GYHCTFXIZSNGJT-UHFFFAOYSA-N
BMGC_DG05269,BMG_DG116885,CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F,c1(cc(ccc1Cl)NC(Nc2ccc(Oc3ccnc(c3)C(NC)=O)cc2)=O)C(F)(F)F,"InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)",MLDQJTXFUGDVEO-UHFFFAOYSA-N
BMGC_DG05270,BMG_DG116889,,S(Nc1c(c(OCC2=NCCN2)ccc1Cl)C)(=O)(=O)C,,FOYWMEJSRSBQGB-UHFFFAOYSA-N
BMGC_DG05271,BMG_DG116894,CCC(C)CCCCC(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC(C(C)O)C(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCNCS(=O)(=O)[O-])CC(C)C)CC(C)C)CCNCS(=O)(=O)[O-])CCNCS(=O)(=O)[O-])C(C)O.[Na+].[Na+].[Na+].[Na+].[Na+],,"InChI=1S/C58H110N16O28S5.5Na/c1-9-35(6)12-10-11-13-46(77)65-38(14-20-59-28-103(88,89)90)53(82)74-48(37(8)76)58(87)70-41(17-23-62-31-106(97,98)99)50(79)68-43-19-25-64-57(86)47(36(7)75)73-54(83)42(18-24-63-32-107(100,101)102)67-49(78)39(15-21-60-29-104(91,92)93)69-55(84)44(26-33(2)3)72-56(85)45(27-34(4)5)71-52(81)40(66-51(43)80)16-22-61-30-105(94,95)96;;;;;/h33-45,47-48,59-63,75-76H,9-32H2,1-8H3,(H,64,86)(H,65,77)(H,66,80)(H,67,78)(H,68,79)(H,69,84)(H,70,87)(H,71,81)(H,72,85)(H,73,83)(H,74,82)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102);;;;;/q;5*+1/p-5",IQWHCHZFYPIVRV-UHFFFAOYSA-I
BMGC_DG05272,BMG_DG116904,,Oc1cc(O)cc(Oc2c(O)cc(O)cc2Oc3c(O)cc(O)cc3O)c1,,OXFVHFABBAINFL-UHFFFAOYSA-N
BMGC_DG05273,BMG_DG116909,,CN1[C@@]2([C@](CC1)(C=CC(=O)C2)c3cc(OC)c(OC)cc3)[H],,HDNHBCSWFYFPAN-IRXDYDNUSA-N
BMGC_DG05274,BMG_DG116930,,c1(nc(c(cn1)C(=O)Nc2cc(ccc2)C(F)(F)F)N)N3CC(NC3=O)(C)C,,FUSNOPLQVRUIIM-UHFFFAOYSA-N
BMGC_DG05275,BMG_DG116939,CC(C)C(C(=O)C1=NN=C(O1)C(C)(C)C)NC(=O)CN2C(=NC=C(C2=O)N)C3=CC=CC=C3,c1nc(n(c(c1N)=O)CC(NC(C(C)C)C(=O)c2oc(nn2)C(C)(C)C)=O)-c3ccccc3,"InChI=1S/C23H28N6O4/c1-13(2)17(18(31)20-27-28-22(33-20)23(3,4)5)26-16(30)12-29-19(14-9-7-6-8-10-14)25-11-15(24)21(29)32/h6-11,13,17H,12,24H2,1-5H3,(H,26,30)",YSIHYROEMJSOAS-UHFFFAOYSA-N
BMGC_DG05276,BMG_DG116960,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OC(=O)CCC(=O)O)C(C)(C)C,c1(c(C(C)(C)C)cc(cc1C(C)(C)C)SC(Sc2cc(C(C)(C)C)c(c(c2)C(C)(C)C)O)(C)C)OC(=O)CCC(=O)O,"InChI=1S/C35H52O5S2/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)41-35(13,14)42-22-19-25(33(7,8)9)30(26(20-22)34(10,11)12)40-28(38)16-15-27(36)37/h17-20,39H,15-16H2,1-14H3,(H,36,37)",RKSMVPNZHBRNNS-UHFFFAOYSA-N
BMGC_DG05277,BMG_DG116961,C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N,N1(C(c2cccc(c2C1)N)=O)C3C(NC(CC3)=O)=O,"InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)",GOTYRUGSSMKFNF-UHFFFAOYSA-N
BMGC_DG05278,BMG_DG116963,C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)C(=O)N,C(C(=O)N)(c1ccc(cc1)F)(c2ccc(cc2)F)c3ccccc3,"InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)",SCTZUZTYRMOMKT-UHFFFAOYSA-N
BMGC_DG05279,BMG_DG117000,CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H](CS3)O)O)O,c12oc(cc(c1ccc(c2)O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CS3)C)=O,"InChI=1S/C15H16O6S/c1-7-4-12(17)21-11-5-8(2-3-9(7)11)20-15-14(19)13(18)10(16)6-22-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13+,14-,15-/m1/s1",JRHNIQQUVJOPQC-AQNFWKISSA-N
BMGC_DG05280,BMG_DG117003,CCC1(C(=O)NC(=O)NC1=O)CCC(C)C,C1(C(NC(NC1=O)=O)=O)(CCC(C)C)CC,"InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",VIROVYVQCGLCII-UHFFFAOYSA-N
BMGC_DG05281,BMG_DG117007,C1CCN(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](CCC4=C3C=CC(=C4)O)C5=CC=CC=C5,c1c(ccc2[C@H]([C@H](CCc12)c3ccccc3)c4ccc(cc4)OCCN5CCCC5)O,"InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1",GXESHMAMLJKROZ-IAPPQJPRSA-N
BMGC_DG05282,BMG_DG117016,C1CN(C(=O)CN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC(=CC=C4)Cl,C(c1ccc(cc1)Cn2c(cnc2)CN3CC(N(CC3)c4cc(ccc4)Cl)=O)#N,"InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2",JNUGFGAVPBYSHF-UHFFFAOYSA-N
BMGC_DG05283,BMG_DG117017,C1=CC=NC(=C1)C(=O)C2=C3N=CC=C(N3N=C2)C4=CC=NC=C4,c12n(ncc1C(c3ncccc3)=O)c(-c4ccncc4)ccn2,InChI=1S/C17H11N5O/c23-16(14-3-1-2-7-19-14)13-11-21-22-15(6-10-20-17(13)22)12-4-8-18-9-5-12/h1-11H,OQJFBUOFGHPMSR-UHFFFAOYSA-N
BMGC_DG05284,BMG_DG117022,CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CCC(CC3)(CC4)CCC(=O)O,c12c(c(=O)n(c(n1CCC)=O)CCC)[nH]c(n2)C34CCC(CC3)(CCC(=O)O)CC4,"InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)",ZWTVVWUOTJRXKM-UHFFFAOYSA-N
BMGC_DG05285,BMG_DG117023,C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2Cl,S(Nc1c2[nH]cc(c2ccc1)Cl)(c3ccc(S(=O)(=O)N)cc3)(=O)=O,"InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)",SETFNECMODOHTO-UHFFFAOYSA-N
BMGC_DG05286,BMG_DG117026,CC(=O)CCC1=CC=C(C=C1)O,c1cc(O)ccc1CCC(C)=O,"InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3",NJGBTKGETPDVIK-UHFFFAOYSA-N
BMGC_DG05287,BMG_DG117030,CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O,c12c(Nc3cc(CN(CC)CC)c(cc3)O)ccnc1cc(cc2)Cl,"InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)",OVCDSSHSILBFBN-UHFFFAOYSA-N
BMGC_DG05288,BMG_DG117036,,CCN(CC)Cc1ccc(cc1O)Nc2ccnc3cc(ccc23)Cl,,QGFYFOHMBDMGBZ-UHFFFAOYSA-N
BMGC_DG05289,BMG_DG117110,C1=CC(=CC=C1C(C[NH3+])O)O,,"InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/p+1",QHGUCRYDKWKLMG-UHFFFAOYSA-O
BMGC_DG05290,BMG_DG117118,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)[O-])C(=O)[O-])C,,"InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/p-2/t9?,10-,11+,14-/m1/s1",FPPNZSSZRUTDAP-UWFZAAFLSA-L
BMGC_DG05291,BMG_DG117136,C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl,c1ccc2c(c1)N=C(c3cc(ccc3O2)Cl)N4CCNCC4,"InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2",QWGDMFLQWFTERH-UHFFFAOYSA-N
BMGC_DG05292,BMG_DG117137,CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)OC(=O)CC,[C@]12([C@]([C@@H](C)C[C@]1([C@@]3(CCC=4[C@@]([C@]3([C@H](C2)O)Cl)(C=CC(=O)C4)C)[H])[H])(C(COC(=O)CC)=O)OC(=O)CC)C,"InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",KUVIULQEHSCUHY-XYWKZLDCSA-N
BMGC_DG05293,BMG_DG117142,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N,n1([C@H]2[C@H]([C@H](O)[C@H](O2)CO)O)c3c(c(N)ncn3)nc1,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1",OIRDTQYFTABQOQ-UHTZMRCNSA-N
BMGC_DG05294,BMG_DG117143,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N,,"InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",YOAHKNVSNCMZGQ-XPWFQUROSA-N
BMGC_DG05295,BMG_DG117165,CN(C)CCCN1C2=C(CCCCCC2)C3=CC=CC=C31,n1(c2c(CCCCCC2)c3c1cccc3)CCCN(C)C,"InChI=1S/C19H28N2/c1-20(2)14-9-15-21-18-12-6-4-3-5-10-16(18)17-11-7-8-13-19(17)21/h7-8,11,13H,3-6,9-10,12,14-15H2,1-2H3",PLIGPBGDXASWPX-UHFFFAOYSA-N
BMGC_DG05296,BMG_DG117202,,,,
BMGC_DG05297,BMG_DG117254,CC(CC1C2=CC=CC=C2CCC3=CC=CC=C13)CN(C)C,C1(c2c(CCc3c1cccc3)cccc2)CC(CN(C)C)C,"InChI=1S/C21H27N/c1-16(15-22(2)3)14-21-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3",ALELTFCQZDXAMQ-UHFFFAOYSA-N
BMGC_DG05298,BMG_DG117263,CC(CC1=CC=CC=C1)NCCCCl,N(C(Cc1ccccc1)C)CCCCl,"InChI=1S/C12H18ClN/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,8-10H2,1H3",XXVROGAVTTXONC-UHFFFAOYSA-N
BMGC_DG05299,BMG_DG117269,CCCC1=NC=C(C(=N1)N)C[N+]2=CC=CC=C2C,c1[n+](c(ccc1)C)Cc2cnc(CCC)nc2N,"InChI=1S/C14H19N4/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17)/q+1",IPZFPROOBOUEIG-UHFFFAOYSA-N
BMGC_DG05300,BMG_DG117285,C1CCC(CC1)C2(CCCCC2)C(=O)OCCN3CCCCC3,C1CCN(CC1)CCOC(=O)C2(CCCCC2)C3CCCCC3,"InChI=1S/C20H35NO2/c22-19(23-17-16-21-14-8-3-9-15-21)20(12-6-2-7-13-20)18-10-4-1-5-11-18/h18H,1-17H2",MNSQDVCVWNXBFQ-UHFFFAOYSA-N
BMGC_DG05301,BMG_DG117287,COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42,c1(Nc2c(cc(NS(=O)(=O)C)cc2)OC)c3c(cccc3)nc4c1cccc4,"InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)",XCPGHVQEEXUHNC-UHFFFAOYSA-N
BMGC_DG05302,BMG_DG117298,,Nc1nc2c(N=C(CO)CN2)c(=O)[nH]1,,CQQNNQTXUGLUEV-UHFFFAOYSA-N
BMGC_DG05303,BMG_DG117299,C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O,,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2",XUCIJNAGGSZNQT-UHFFFAOYSA-N
BMGC_DG05304,BMG_DG117300,CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)CC,[C@]12([C@]([C@@H](C)C[C@]1([C@@]3(CCC=4[C@@]([C@]3([C@H](C2)O)F)(C=CC(=O)C4)C)[H])[H])(C(COC(=O)CC)=O)OC(=O)CC)C,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",CIWBQSYVNNPZIQ-XYWKZLDCSA-N
BMGC_DG05305,BMG_DG117314,C1CCNC(C1)C2=CN=CC=C2,,"InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2",MTXSIJUGVMTTMU-UHFFFAOYSA-N
BMGC_DG05306,BMG_DG117315,,Cc1cc(Cl)nc(N)n1,,NPTGVVKPLWFPPX-UHFFFAOYSA-N
BMGC_DG05307,BMG_DG117324,,,,
BMGC_DG05308,BMG_DG117326,CSC1=NC(=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,,"InChI=1S/C11H16N5O7PS/c1-25-9-5-8(14-11(12)15-9)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1",QJRQZGPABIMRAZ-KQYNXXCUSA-N
BMGC_DG05309,BMG_DG117329,C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)COC(=O)CC(C)(C)C)CCC5=CC(=O)C=C[C@@]53C)F)O,[C@@]12([C@@]3([C@@]([C@@]4(CCC=5[C@@]([C@]4([C@H](C3)O)F)(C=CC(=O)C5)C)[H])([H])C[C@]1(OC(O2)(C)C)[H])C)C(COC(=O)CC(C)(C)C)=O,"InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1",TZIZWYVVGLXXFV-FLRHRWPCSA-N
BMGC_DG05310,BMG_DG117334,,n1(c(cnn(c1=O)CCCCN2CCN(CC2)c3c(cccc3)OC)=O)C,,MEKSQRMXWZHFIP-UHFFFAOYSA-N
BMGC_DG05311,BMG_DG117346,C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4,C1(C2CCN(Cc3ccccc3)CC2)(c4ccccc4)C(NC(=O)CC1)=O,"InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)",LQQIVYSCPWCSSD-UHFFFAOYSA-N
BMGC_DG05312,BMG_DG117352,CC(C)(CO)N.CN1C2=C(C(=O)N(C1=O)C)NC=N2,n1(C)c(=O)n(C)c(=O)c2c1[nH]cn2.C(N)(CO)(C)C,"InChI=1S/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3",SEIRRUDMPNNSCY-UHFFFAOYSA-N
BMGC_DG05313,BMG_DG117358,CC(C1OCC(O1)CO)I,C1(OC(CO)CO1)C(I)C,"InChI=1S/C6H11IO3/c1-4(7)6-9-3-5(2-8)10-6/h4-6,8H,2-3H2,1H3",LTINPJMVDKPJJI-UHFFFAOYSA-N
BMGC_DG05314,BMG_DG117363,,Oc1cccc2[nH]cc(CCN3CCCC3)c12,,XASLPZWIPBCAPF-UHFFFAOYSA-N
BMGC_DG05315,BMG_DG117366,CC(C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C,C1(=C(Cc2c1cccc2)CCN(C)C)C(c3ncccc3)C,"InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3",MVMQESMQSYOVGV-UHFFFAOYSA-N
BMGC_DG05316,BMG_DG117372,,Oc1cccc(-c2nnc(-c3cccc(O)c3)s2)c1,,KZZBPNSRBQBVII-UHFFFAOYSA-N
BMGC_DG05317,BMG_DG117407,,,,
BMGC_DG05318,BMG_DG117420,CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N,n1cnn(c1)Cc2cc(C(C#N)(C)C)cc(c2)C(C#N)(C)C,"InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3",YBBLVLTVTVSKRW-UHFFFAOYSA-N
BMGC_DG05319,BMG_DG117436,CC(=O)NC1C(C(C(OC1O)OS(=O)(=O)O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O,,"InChI=1S/C13H21NO15S/c1-2(15)14-3-8(7(19)13(28-11(3)22)29-30(23,24)25)26-12-6(18)4(16)5(17)9(27-12)10(20)21/h3-9,11-13,16-19,22H,1H3,(H,14,15)(H,20,21)(H,23,24,25)",KXKPYJOVDUMHGS-UHFFFAOYSA-N
BMGC_DG05320,BMG_DG117442,CC1=C(C=CC(=C1)CN2C3=NC(=NC(=C3N=N2)C4=CC=CO4)N)N,c1ccc(-c2c3nnn(c3nc(n2)N)Cc4cc(c(cc4)N)C)o1,"InChI=1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20)",HQSBCDPYXDGTCL-UHFFFAOYSA-N
BMGC_DG05321,BMG_DG117446,,c1(c2c(cc(C)n1)cc(OC)c(OC)c2)Cc3ccc(OCC)c(OC)c3.P(=O)(O)(O)O,,YZKZXTBSUSEYQZ-UHFFFAOYSA-N
BMGC_DG05322,BMG_DG117491,,Ic1ccc2[nH]ncc2c1,,CGCHCLICSHIAAM-UHFFFAOYSA-N
BMGC_DG05323,BMG_DG117516,CNC(=O)C1=CN(N=C1)C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N,[C@H]1(O[C@@H]([C@H]([C@H]1O)O)CO)n2c3nc(-n4cc(cn4)C(=O)NC)nc(c3nc2)N,"InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1",LZPZPHGJDAGEJZ-AKAIJSEGSA-N
BMGC_DG05324,BMG_DG117533,C1CN(CC=C1C2=CC=CC=C2)CCCCC3=CNC4=C3C=C(C=C4)O,[nH]1cc(c2cc(ccc12)O)CCCCN3CC=C(CC3)c4ccccc4,"InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2",HGEYJZMMUGWEOT-UHFFFAOYSA-N
BMGC_DG05325,BMG_DG117549,CC(=O)N(C)C1(CCN(CC1)CCC[C@@]2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5,C1(N(C(=O)C)C)(CCN(CCC[C@]2(CN(C(=O)c3ccccc3)CCC2)c4cc(c(Cl)cc4)Cl)CC1)c5ccccc5,"InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1",DZOJBGLFWINFBF-UMSFTDKQSA-N
BMGC_DG05326,BMG_DG117550,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1,[C@@H](C(NCc1ccccc1)=O)(NC(=O)C)COC,"InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1",VPPJLAIAVCUEMN-GFCCVEGCSA-N
BMGC_DG05327,BMG_DG117560,,,,
BMGC_DG05328,BMG_DG117563,CC(C)OC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC=C3OC4=CC=C(C=C4)Cl,[nH]1c2c(c3c(cccc13)Oc4ccc(cc4)Cl)c(c(nc2)C(=O)OC(C)C)COC,"InChI=1S/C23H21ClN2O4/c1-13(2)29-23(27)22-16(12-28-3)20-18(11-25-22)26-17-5-4-6-19(21(17)20)30-15-9-7-14(24)8-10-15/h4-11,13,26H,12H2,1-3H3",SLYDYLLJUXFULK-UHFFFAOYSA-N
BMGC_DG05329,BMG_DG117576,C1C(=CC2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O,C1=C(c2ccc(cc2)O)COc3c1ccc(O)c3,"InChI=1S/C15H12O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-8,16-17H,9H2",ZZUBHVMHNVYXRR-UHFFFAOYSA-N
BMGC_DG05330,BMG_DG117578,C[C@@H]([C@H](C1=CC=C(C=C1)O)O)N2CCC(CC2)(C3=CC=CC=C3)O,c1([C@H](O)[C@H](C)N2CCC(CC2)(c3ccccc3)O)ccc(O)cc1,"InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1",QEMSVZNTSXPFJA-HNAYVOBHSA-N
BMGC_DG05331,BMG_DG117579,CCC(C)SSC1=NC=CN1,c1(ncc[nH]1)SSC(CC)C,"InChI=1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)",BPBPYQWMFCTCNG-UHFFFAOYSA-N
BMGC_DG05332,BMG_DG117581,C[C@@H](CC1=CC(=CC=C1)O)N,C([C@H](C)N)c1cc(O)ccc1,"InChI=1S/C9H13NO/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6-7,11H,5,10H2,1H3/t7-/m0/s1",WTDGMHYYGNJEKQ-ZETCQYMHSA-N
BMGC_DG05333,BMG_DG117644,,O=C(O)CCn1c2ccccc2c3ccccc13,,ZAJJJOMMWPVJMH-UHFFFAOYSA-N
BMGC_DG05334,BMG_DG117675,COC1=CC=C(C=C1)C2=CC(=S)SS2,c1c(ssc1=S)-c2ccc(cc2)OC,"InChI=1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3",KYLIZBIRMBGUOP-UHFFFAOYSA-N
BMGC_DG05335,BMG_DG117690,C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC,,"InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12-,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1",QFJCIRLUMZQUOT-KADBNGAOSA-N
BMGC_DG05336,BMG_DG117692,C1N2CN3CN1CN(C2)C3.C1=CC=C(C=C1)C(=O)NCC(=O)O,N12CN3CN(CN(C3)C1)C2.C(NCC(=O)O)(=O)c1ccccc1,"InChI=1S/C9H9NO3.C6H12N4/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-5H,6H2,(H,10,13)(H,11,12);1-6H2",ROAIXOJGRFKICW-UHFFFAOYSA-N
BMGC_DG05337,BMG_DG117711,,CCc1n[nH]c(CC)c1Oc2cc(cc(c2)C#N)C#N,,LTSBRJXQVVZDJZ-UHFFFAOYSA-N
BMGC_DG05338,BMG_DG117733,C1=CC(=O)NNC1=O,O=c1[nH][nH]c(=O)cc1,"InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)",BGRDGMRNKXEXQD-UHFFFAOYSA-N
BMGC_DG05339,BMG_DG117754,,C(C(c1c(cc(cc1)O)O)=O)(c2c(cc(cc2)O)O)=O,,NGWYJYHAFLMHNW-UHFFFAOYSA-N
BMGC_DG05340,BMG_DG117756,COC1=CC=C(C=C1)C(=O)N2CCCC2=O,N1(C(c2ccc(cc2)OC)=O)C(=O)CCC1,"InChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3",ZXNRTKGTQJPIJK-UHFFFAOYSA-N
BMGC_DG05341,BMG_DG117763,,O=C(c1ccccc1)C(=O)CC,,PIRWSGXNBGFLEA-UHFFFAOYSA-N
BMGC_DG05342,BMG_DG117800,COC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O,C1(C(C(=O)c2c1cccc2)c3ccc(cc3)OC)=O,"InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3",XRCFXMGQEVUZFC-UHFFFAOYSA-N
BMGC_DG05343,BMG_DG117810,CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2],c1(ccccc1OC(C)=O)C([O-])=O.[Ca+2].NC(N)=O.c1(ccccc1OC(C)=O)C([O-])=O,"InChI=1S/2C9H8O4.CH4N2O.Ca/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;2-1(3)4;/h2*2-5H,1H3,(H,11,12);(H4,2,3,4);/q;;;+2/p-2",VYMUGTALCSPLDM-UHFFFAOYSA-L
BMGC_DG05344,BMG_DG117811,,Clc1ncnc2c1cnn2C,,AVFLNALVPBLGEV-UHFFFAOYSA-N
BMGC_DG05345,BMG_DG117816,,c1cc(-c2c3cc[nH]c3nc(N)n2)oc1,,YOPVCNSOKMOXST-UHFFFAOYSA-N
BMGC_DG05346,BMG_DG117834,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O,[C@]12([C@]([H])([C@]3([C@@]([C@@]([C@H](C)O)(CC3)[H])(CC1)C)[H])CC[C@@]4(C[C@@H](CC[C@]24C)O)[H])[H],"InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20-,21+/m0/s1",YWYQTGBBEZQBGO-BERLURQNSA-N
BMGC_DG05347,BMG_DG117838,,Cc1c2c(N)ncnc2n[nH]1,,VQXHGXDVBHJJJU-UHFFFAOYSA-N
BMGC_DG05348,BMG_DG117840,,n1cnc2c(c1N)c(nn2C)C,,BSFPYHUDKOOLBM-UHFFFAOYSA-N
BMGC_DG05349,BMG_DG117871,C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3,N(CC1=NCCN1)(Cc2ccccc2)c3ccccc3,"InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)",REYFJDPCWQRWAA-UHFFFAOYSA-N
BMGC_DG05350,BMG_DG117874,C[C@H]([C@H](C)O)O,C[C@H]([C@H](C)O)O,"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+",OWBTYPJTUOEWEK-ZXZARUISSA-N
BMGC_DG05351,BMG_DG117877,,N1(CCNCC1)c2c(cccc2)-c3ccc(cc3)OC,,GJCDKKZASRZMHC-UHFFFAOYSA-N
BMGC_DG05352,BMG_DG117883,,O=C(CNS(=O)(=O)c1ccc(Br)cc1)NO,,AKOBMMAQXVKOJR-UHFFFAOYSA-N
BMGC_DG05353,BMG_DG117916,,O=C(NO)Cc1ccccc1,,FPOQLQZHRCEVOT-UHFFFAOYSA-N
BMGC_DG05354,BMG_DG117922,C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O,C1(c2c(cccc2O)Cc3c1c(O)ccc3)=O,"InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2",NUZWLKWWNNJHPT-UHFFFAOYSA-N
BMGC_DG05355,BMG_DG117927,,,,
BMGC_DG05356,BMG_DG117943,C#CC1=CC(=CC=C1)NC2=NC=NC3=CC4=C(C=C32)OCCOCCOCCO4,c12cc3c(cc1OCCOCCOCCO2)c(ncn3)Nc4cccc(c4)C#C,"InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)",QQLKULDARVNMAL-UHFFFAOYSA-N
BMGC_DG05357,BMG_DG117944,,OC(c1c(c(c(cc1)F)F)Nc2c(cc(cc2)I)F)=O,,REMYZOSCCVDLDL-UHFFFAOYSA-N
BMGC_DG05358,BMG_DG117958,,O=S(=O)(c1ccccc1)c2c[nH]c3ncccc23,,XIVJYIWQYBHEBJ-UHFFFAOYSA-N
BMGC_DG05359,BMG_DG117961,,O=C(c1ccc(O)cc1)c2ccccc2O,,HUYKZYIAFUBPAQ-UHFFFAOYSA-N
BMGC_DG05360,BMG_DG117985,CN[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,c1-2c(cc(=O)c(cc1)OC)[C@H](CCc3c2c(c(OC)c(c3)OC)OC)NC,"InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1",NNJPGOLRFBJNIW-HNNXBMFYSA-N
BMGC_DG05361,BMG_DG117998,,n1(c(ccc1SSc2n(c(-c3cnccc3)cc2)C)-c4cnccc4)C,,VJDGONRHHHOESK-UHFFFAOYSA-N
BMGC_DG05362,BMG_DG118002,CC1=C(C=C(C=C1)C(=O)NC)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)C,c1cc(COc2c(Br)c(=O)n(-c3c(ccc(c3)C(NC)=O)C)c(C)c2)c(F)cc1F,"InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)",KCAJXIDMCNPGHZ-UHFFFAOYSA-N
BMGC_DG05363,BMG_DG118015,C1=CC=C(C=C1)CCCC(=O)[O-],,"InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/p-1",OBKXEAXTFZPCHS-UHFFFAOYSA-M
BMGC_DG05364,BMG_DG118031,CC1=CC(=O)N(N1C)C2=CC=CC=C2,c1(n(n(C)c(c1)C)-c2ccccc2)=O,"InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3",VEQOALNAAJBPNY-UHFFFAOYSA-N
BMGC_DG05365,BMG_DG118047,C(CP(=O)(O)O)C(C(=O)O)N,P(CCC(C(O)=O)N)(O)(O)=O,"InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)",DDOQBQRIEWHWBT-UHFFFAOYSA-N
BMGC_DG05366,BMG_DG118094,CC(C)C1=CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C,C(O)(=O)[C@@]1(CCC[C@]2(C)[C@@]3(C(CC[C@]21[H])=CC(C(C)C)=CC3)[H])C,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",RWWVEQKPFPXLGL-ONCXSQPRSA-N
BMGC_DG05367,BMG_DG118102,,CCCCC#CCSc1ccccc1OC(C)=O,,GXMBHQRROXQUJS-UHFFFAOYSA-N
BMGC_DG05368,BMG_DG118108,,O=C(NO)c1ccc(OC)cc1,,RFCBPAJDLZMJPL-UHFFFAOYSA-N
BMGC_DG05369,BMG_DG118123,,,,
BMGC_DG05370,BMG_DG118141,,CC(C)CNC=O,,XCTTVNSXEHWZBI-UHFFFAOYSA-N
BMGC_DG05371,BMG_DG118143,CC(=O)C1=CC(=C(C=C1)O)OC,c1(cc(ccc1O)C(C)=O)OC,"InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3",DFYRUELUNQRZTB-UHFFFAOYSA-N
BMGC_DG05372,BMG_DG118157,,C(Nc1ncccc1)(Nc2ccccc2)=O,,FDMIXRXCYIIUDY-UHFFFAOYSA-N
BMGC_DG05373,BMG_DG118168,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,[C@]12([C@]([C@@]3([C@@H](C[C@]4([C@@]([C@]3(C[C@@H]1O)[H])(CC[C@@H](O)C4)C)[H])O)[H])(CC[C@@]2([C@@H](CCC(=O)O)C)[H])[H])C,"InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1",BHQCQFFYRZLCQQ-OELDTZBJSA-N
BMGC_DG05374,BMG_DG118192,C1CN=C(N1)NC2=C(C=C(C=C2Cl)N)Cl,c1(NC2=NCCN2)c(cc(cc1Cl)N)Cl,"InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)",IEJXVRYNEISIKR-UHFFFAOYSA-N
BMGC_DG05375,BMG_DG118218,CCC(C)CC(=O)[O-],,"InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1",IGIDLTISMCAULB-UHFFFAOYSA-M
BMGC_DG05376,BMG_DG118220,CN(C)C1=CC=C(C=C1)O,c1c(ccc(c1)O)N(C)C,"InChI=1S/C8H11NO/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3",JVVRCYWZTJLJSG-UHFFFAOYSA-N
BMGC_DG05377,BMG_DG118221,CCCC(C)C(=O)[O-],,"InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1",OVBFMEVBMNZIBR-UHFFFAOYSA-M
BMGC_DG05378,BMG_DG118227,,c1c(NC(C=C)=O)cccc1,,BPCNEKWROYSOLT-UHFFFAOYSA-N
BMGC_DG05379,BMG_DG118228,CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C3=CC=CC=C3,C1(N(c2ccccc2)CCCN(CC)CC)Cc3ccccc3C1,"InChI=1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3",NZLBHDRPUJLHCE-UHFFFAOYSA-N
BMGC_DG05380,BMG_DG118264,N,N,InChI=1S/H3N/h1H3,QGZKDVFQNNGYKY-UHFFFAOYSA-N
BMGC_DG05381,BMG_DG118292,,O=C(C(=O)N1c2ccccc2Sc3ccccc13)N4c5ccccc5Sc6ccccc46,,LWNPJAXCRSELQF-UHFFFAOYSA-N
BMGC_DG05382,BMG_DG118331,CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C,[C@]12([C@]([C@]3([C@]([C@@]4(C(C[C@@H](O)CC4)=CC3)C)([H])CC1)[H])(CC[C@@]2([C@@H](CC[C@H](C(C)C)CC)C)[H])[H])C,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",KZJWDPNRJALLNS-VJSFXXLFSA-N
BMGC_DG05383,BMG_DG118332,C([C@H]([C@H](CO)O)O)O,[C@H]([C@H](O)CO)(O)CO,"InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+",UNXHWFMMPAWVPI-ZXZARUISSA-N
BMGC_DG05384,BMG_DG118352,,COc1cc2[nH]c(-c3ccccc3)cc2cc1-c4cnco4,,BESGGLGAKGKEOC-UHFFFAOYSA-N
BMGC_DG05385,BMG_DG118355,CC1=NC=CN1CC2=NN=CC(=C2)C3=CC(=C(C=C3)F)C(F)F,c1(cc(ccc1F)-c2cnnc(c2)Cn3ccnc3C)C(F)F,"InChI=1S/C16H13F3N4/c1-10-20-4-5-23(10)9-13-6-12(8-21-22-13)11-2-3-15(17)14(7-11)16(18)19/h2-8,16H,9H2,1H3",BOVUHBFXPNLTKF-UHFFFAOYSA-N
BMGC_DG05386,BMG_DG118360,,c12c(cc(N)c(c1)C(O)=O)cccc2,,XFXOLBNQYFRSLQ-UHFFFAOYSA-N
BMGC_DG05387,BMG_DG118373,CC1=C(C(C(=C(N1)C)C(=O)OCC(=O)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC,c1ccc(c(c1)C2C(C(OC)=O)=C(NC(=C2C(OCC(C)=O)=O)C)C)[N+](=O)[O-],"InChI=1S/C19H20N2O7/c1-10(22)9-28-19(24)16-12(3)20-11(2)15(18(23)27-4)17(16)13-7-5-6-8-14(13)21(25)26/h5-8,17,20H,9H2,1-4H3",NCUCGYYHUFIYNU-UHFFFAOYSA-N
BMGC_DG05388,BMG_DG118380,C(C(COP(=O)([O-])[O-])O)O.O.[Na+].[Na+],,"InChI=1S/C3H9O6P.2Na.H2O/c4-1-3(5)2-9-10(6,7)8;;;/h3-5H,1-2H2,(H2,6,7,8);;;1H2/q;2*+1;/p-2",OFNNKPAERNWEDD-UHFFFAOYSA-L
BMGC_DG05389,BMG_DG118384,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,[C@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(C[C@@H]1O)[H])(CC[C@@H](O)C4)C)[H])[H])(CC[C@@]2([C@@H](CCC(=O)O)C)[H])[H])C,"InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1",KXGVEGMKQFWNSR-LLQZFEROSA-N
BMGC_DG05390,BMG_DG118386,C([C@@H]([C@H](C(=O)CO)O)O)O,[C@H]([C@@H](O)CO)(O)C(=O)CO,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m0/s1",ZAQJHHRNXZUBTE-WVZVXSGGSA-N
BMGC_DG05391,BMG_DG118391,,Nc1ccc2cccc(OCC3CCCCC3)c2n1,,OTJOSBTUERTNPP-UHFFFAOYSA-N
BMGC_DG05392,BMG_DG118403,C([C@@H](C(=O)O)O)C(=O)O,C(C(=O)O)[C@@H](C(=O)O)O,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1",BJEPYKJPYRNKOW-REOHCLBHSA-N
BMGC_DG05393,BMG_DG118411,CCC(=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,CCC(=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c2ccccc2,"InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m1/s1",USSIQXCVUWKGNF-QGZVFWFLSA-N
BMGC_DG05394,BMG_DG118419,,N1(CCN(CC1)CCSc2oc3c(nccc3)n2)CC(=O)Nc4c(nc(cc4SC)C)SC,,XYHAZQCTATWYDN-UHFFFAOYSA-N
BMGC_DG05395,BMG_DG118421,,n12ncnc(c1c(c(c2)-c3oc(nn3)C)C(C)C)Nc4cc5c(nc4)[nH]c(c5)C,,OOQXPATWSOGSAV-UHFFFAOYSA-N
BMGC_DG05396,BMG_DG118426,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5,[C@]12([C@]([C@@]3(CCc4c([C@]3(CC1)[H])ccc(OC(=O)c5ccccc5)c4)[H])(CC[C@@H]2O)[H])C,"InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1",UYIFTLBWAOGQBI-BZDYCCQFSA-N
BMGC_DG05397,BMG_DG118428,,c1(C(CNC)C)ccccc1,,AUFSOOYCQYDGES-UHFFFAOYSA-N
BMGC_DG05398,BMG_DG118434,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C,[C@@]12([C@](CC[C@@]1(C(CO)=O)O)([H])[C@@]3(CCC=4[C@@](CCC(=O)C4)(C)[C@@]3([H])C(C2)=O)[H])C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1",MFYSYFVPBJMHGN-ZPOLXVRWSA-N
BMGC_DG05399,BMG_DG118442,CC1CCCC(CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1)O,,"InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3",DWTTZBARDOXEAM-UHFFFAOYSA-N
BMGC_DG05400,BMG_DG118449,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,[C@]12([C@@]3([C@]([C@@]4(CCC([C@]4(CC3)C)=O)[H])(CC[C@]1(CC(CC2)=O)[H])[H])[H])C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1",RAJWOBJTTGJROA-WZNAKSSCSA-N
BMGC_DG05401,BMG_DG118452,,C(=O)(NN)CCC(=O)O,,XRMBRQWBOICYRP-UHFFFAOYSA-N
BMGC_DG05402,BMG_DG118468,,n1(nc(c2CCc3c(-c12)cc(cc3)NC(=O)c4cc(ncc4Cl)N5CCN(CC5)C)C(=O)N)-c6ccc(cc6)F,,ZLEZHGHFWIHCGU-UHFFFAOYSA-N
BMGC_DG05403,BMG_DG118495,CC(CCC=C(C)C)NC,C(=CCCC(NC)C)(C)C,"InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3",XVQUOJBERHHONY-UHFFFAOYSA-N
BMGC_DG05404,BMG_DG118520,,,,
BMGC_DG05405,BMG_DG118525,CN1CCC=C(C1)C(=O)OC,C=1(C(=O)OC)CN(C)CCC1,"InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3",HJJPJSXJAXAIPN-UHFFFAOYSA-N
BMGC_DG05406,BMG_DG118527,,c12c(cc3c(c1)OCO3)CCN(C2)C,,XNZFFRJWTVYMBF-UHFFFAOYSA-N
BMGC_DG05407,BMG_DG118533,CC[C@H](C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C,C(C[C@H](N(C)C)C)(c1ccccc1)(c2ccccc2)[C@@H](CC)OC(C)=O,"InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m1/s1",XBMIVRRWGCYBTQ-XMSQKQJNSA-N
BMGC_DG05408,BMG_DG118550,C(C(C(=O)[O-])[S-])C(=O)[O-].[Na+].[Na+].[Au+],C([O-])(=O)C([S-])CC([O-])=O.[Au+].[Na+].[Na+],"InChI=1S/C4H6O4S.Au.2Na/c5-3(6)1-2(9)4(7)8;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;/q;3*+1/p-3",VXIHRIQNJCRFQX-UHFFFAOYSA-K
BMGC_DG05409,BMG_DG118566,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC5CCCC5)O)C)O,[C@@]12([C@@](C(COC(=O)CCC3CCCC3)=O)(CC[C@]2([C@@]4(CCC=5[C@@]([C@]4([C@H](C1)O)[H])(CCC(=O)C5)C)[H])[H])O)C,"InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1",DLVOSEUFIRPIRM-KAQKJVHQSA-N
BMGC_DG05410,BMG_DG118568,C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=O)NC3=O)C4=CC=CC=C4,,"InChI=1S/C20H14N4O3/c25-18-16(19(26)22-20(27)21-18)11-14-12-24(15-9-5-2-6-10-15)23-17(14)13-7-3-1-4-8-13/h1-12H,(H2,21,22,25,26,27)",WOGISSLYRYBUMU-UHFFFAOYSA-N
BMGC_DG05411,BMG_DG118592,C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)O)[C@@H]1CCC2=O,C1=2[C@]3([C@@](C(=O)CC3)(CC[C@@]1(c4c(cc(O)cc4)CC2)[H])C)[H],"InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1",WKRLQDKEXYKHJB-HFTRVMKXSA-N
BMGC_DG05412,BMG_DG118624,COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O,c12c(c(ccc1)OC)cc(c3c2c4c(cc3C(=O)O)OCO4)[N+]([O-])=O,"InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)",BBFQZRXNYIEMAW-UHFFFAOYSA-N
BMGC_DG05413,BMG_DG118628,,OCCN1C(=O)c2c3c(ccc2)cccc3C1=O,,XKPZHSCHHBRGLY-UHFFFAOYSA-N
BMGC_DG05414,BMG_DG118632,,O=c1n(c2c(n(cn2)C)c(=O)n1CC(=O)O)C,,YCTSCXLOPJCPDH-UHFFFAOYSA-N
BMGC_DG05415,BMG_DG118641,CCCCNCC(=O)NC1=C(C=CC=C1Cl)C,c1(NC(=O)CNCCCC)c(Cl)cccc1C,"InChI=1S/C13H19ClN2O/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17)",VWYQKFLLGRBICZ-UHFFFAOYSA-N
BMGC_DG05416,BMG_DG118657,CC(C)(C)NCC(CSC1=NC(=CS1)C2=CC=C(S2)C(=O)N)O,s1cc(-c2ccc(s2)C(N)=O)nc1SCC(O)CNC(C)(C)C,"InChI=1S/C15H21N3O2S3/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20)",BHIAIPWSVYSKJS-UHFFFAOYSA-N
BMGC_DG05417,BMG_DG118670,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=O)C,[C@]12([C@@]3(C(CC[C@]1([C@]4([C@](C(=O)CC4)(C)CC2=O)[H])[H])=CC(=O)CC3)C)[H],"InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1",RZRPTBIGEANTGU-IRIMSJTPSA-N
BMGC_DG05418,BMG_DG118675,CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)C)C)C,[C@]12([C@@]3([C@@]([C@@]4(CC[C@@H]([C@]4(CC3)C)OC(=O)CC)[H])([H])CC[C@]1(CC(=O)[C@@H](C2)C)[H])[H])C,"InChI=1S/C23H36O3/c1-5-21(25)26-20-9-8-17-16-7-6-15-12-19(24)14(2)13-23(15,4)18(16)10-11-22(17,20)3/h14-18,20H,5-13H2,1-4H3/t14-,15+,16+,17+,18+,20+,22+,23+/m1/s1",NOTIQUSPUUHHEH-UXOVVSIBSA-N
BMGC_DG05419,BMG_DG118687,,O=S(=O)(Nc1cccc2cccnc12)c3ccc(Br)s3,,BWZPDZRPJIBWAU-UHFFFAOYSA-N
BMGC_DG05420,BMG_DG118689,,O=C(Nc1nc(-c2ccccc2)ns1)c3ccccc3,,AYSLYXJUYHXKHV-UHFFFAOYSA-N
BMGC_DG05421,BMG_DG118697,C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O,c1(c(O)ccc(c1)/N=N/c2ccc(c(c2)C(O)=O)O)C(O)=O,"InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)",QQBDLJCYGRGAKP-FOCLMDBBSA-N;QQBDLJCYGRGAKP-UHFFFAOYSA-N
BMGC_DG05422,BMG_DG118706,CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O,[C@@]12([C@@](C(COC(=O)C)=O)(CC[C@]2([C@]3([C@]([C@@]4(C(=CC(=O)C=C4)CC3)C)(F)[C@H](C1)O)[H])[H])O)C,"InChI=1S/C23H29FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h6,8,10,16-18,27,29H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1",ZOCUOMKMBMEYQV-GSLJADNHSA-N
BMGC_DG05423,BMG_DG118710,C1CCN(CC1)CCOCCOC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4,N1(c2c(cccn2)Sc3c1cccc3)C(=O)OCCOCCN4CCCCC4,"InChI=1S/C21H25N3O3S/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24/h2-3,6-10H,1,4-5,11-16H2",DTVJXCOMJLLMAK-UHFFFAOYSA-N
BMGC_DG05424,BMG_DG118717,CC(=O)OC1=CC=CC=C1C(=O)O,c1(C(=O)O)c(OC(=O)C)cccc1,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",BSYNRYMUTXBXSQ-UHFFFAOYSA-N
BMGC_DG05425,BMG_DG118749,COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F,c1(n(c2ccccc2n1)Cc3ccc(cc3)F)NC4CCN(CC4)CCc5ccc(cc5)OC,"InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)",GXDALQBWZGODGZ-UHFFFAOYSA-N
BMGC_DG05426,BMG_DG118763,,,,
BMGC_DG05427,BMG_DG118775,,CCCCC(=O)c1nc2ncccc2o1,,FBFLUTUPSIYUIG-UHFFFAOYSA-N
BMGC_DG05428,BMG_DG118782,,,,
BMGC_DG05429,BMG_DG118784,,C(c1c(cc(cc1)[Sb](O)(O)=O)[N+](=O)[O-])(=O)O,,HUAYIYWLCZXNRE-UHFFFAOYSA-L
BMGC_DG05430,BMG_DG118786,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O,C(=O)(Cc1ccc(OCC(CNC(C)C)O)cc1)N,"InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)",METKIMKYRPQLGS-UHFFFAOYSA-N
BMGC_DG05431,BMG_DG118790,,Nc1c2c(nc3ccc(Cl)cc13)CCCC2,,PUKKYURTEBJMKJ-UHFFFAOYSA-N
BMGC_DG05432,BMG_DG118815,CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.O,[H][C@@]12SC([C@@H](N2C([C@H]1NC(Cc3ccccc3)=O)=O)C(O)=O)(C)C.CCN(CC)CCOC(=O)c1ccc(cc1)N.O,"InChI=1S/C16H18N2O4S.C13H20N2O2.H2O/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3;1H2/t11-,12+,14-;;/m1../s1",KZDCMKVLEYCGQX-UDPGNSCCSA-N
BMGC_DG05433,BMG_DG118835,CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C3CCCCC3,,"InChI=1S/C14H20N4O2/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3",HJRNYGSEKWPIMR-UHFFFAOYSA-N
BMGC_DG05434,BMG_DG118837,CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C\C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O,,"InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16-,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1",MJQUEDHRCUIRLF-MEBWOBETSA-N
BMGC_DG05435,BMG_DG118852,CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4,c1ccc2n(Cc3ccccc3)c4CCN(C)Cc4c2c1,"InChI=1S/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3",FQQIIPAOSKSOJM-UHFFFAOYSA-N
BMGC_DG05436,BMG_DG118869,,,,
BMGC_DG05437,BMG_DG118872,CCNC1=NC(=NC(=N1)Cl)NC(C)C,c1(nc(NCC)nc(n1)Cl)NC(C)C,"InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)",MXWJVTOOROXGIU-UHFFFAOYSA-N
BMGC_DG05438,BMG_DG118873,CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C)O,[C@@]12([C@@](C(COC(=O)C)=O)(CC[C@]2([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)F)(CCC(=O)C4)C)[H])[H])O)C,"InChI=1S/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1",SYWHXTATXSMDSB-GSLJADNHSA-N
BMGC_DG05439,BMG_DG118917,,C(c1cc(c(O)cc1)C(O)=O)(c2cc(c(O)cc2)C(O)=O)=C3C=C(C(=O)C=C3)C(O)=O,,GIXWDMTZECRIJT-UHFFFAOYSA-N
BMGC_DG05440,BMG_DG118919,CCS(=O)(=O)CCCC12CCC(CC1)(CC2)C3=NN=C(N3C)C4=CC=CC=C4C(F)(F)F,C1C2(CCC(C1)(CC2)c3nnc(n3C)-c4c(cccc4)C(F)(F)F)CCCS(=O)(=O)CC,"InChI=1S/C23H30F3N3O2S/c1-3-32(30,31)16-6-9-21-10-13-22(14-11-21,15-12-21)20-28-27-19(29(20)2)17-7-4-5-8-18(17)23(24,25)26/h4-5,7-8H,3,6,9-16H2,1-2H3",ORQZQBUNAMJFCY-UHFFFAOYSA-N
BMGC_DG05441,BMG_DG118921,,Oc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c5ccc(-c6ccccc6)cc5)[nH]2)c1,,JTVSGRFYVCXWNC-UHFFFAOYSA-N
BMGC_DG05442,BMG_DG118949,,n12c(nnc1cc(c(n2)OCc3ncnn3C)C4CCC4)-c5c(F)cccc5F,,GOIFCXRIFSYPFG-UHFFFAOYSA-N
BMGC_DG05443,BMG_DG118960,,c1ccc(COc2ccccc2N3CCNCC3)cc1,,PPQUPQGZDGZYJI-UHFFFAOYSA-N
BMGC_DG05444,BMG_DG118964,CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.[Tc],[C-]#[N+]CC(C)(C)OC.[Tc+].[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC,"InChI=1S/6C6H11NO.Tc/c6*1-6(2,8-4)5-7-3;/h6*5H2,1-2,4H3;",ZBTQTVSNLRPJHI-UHFFFAOYSA-N;KNMLZCYLMYOYBD-UHFFFAOYSA-N
BMGC_DG05445,BMG_DG118988,,c12n(C(c3ccc(Cl)cc3)=O)c(C)cc1cc(OC)cc2,,POZBHYDICLJVKQ-UHFFFAOYSA-N
BMGC_DG05446,BMG_DG118996,CN1C(=O)COC2=C(C=C(C=C21)Cl)C(=O)NC3CN4CCC3CC4,c1(cc(C(NC2CN3CCC2CC3)=O)c4c(c1)N(C)C(=O)CO4)Cl,"InChI=1S/C17H20ClN3O3/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23)",WUKZPHOXUVCQOR-UHFFFAOYSA-N
BMGC_DG05447,BMG_DG118997,,n1(c2c(nc3-c1nc(=O)[nH]c3=O)cc(C)c(c2)C)CCOC(C)=O,,PVRDHKBVCDWVPD-UHFFFAOYSA-N
BMGC_DG05448,BMG_DG119005,,,,
BMGC_DG05449,BMG_DG119011,,c1(c(cccc1)OC)NC(Nc2c(cccc2)OC)=N,,SUWFNJNGGZUBSG-UHFFFAOYSA-N
BMGC_DG05450,BMG_DG119015,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],c1(c(Sc2c3c([nH]cn3)ncn2)n(C)cn1)[N+]([O-])=O,"InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)",LMEKQMALGUDUQG-UHFFFAOYSA-N
BMGC_DG05451,BMG_DG119023,C(CCCC(=O)O)CCCC(=O)O,C(=O)(O)CCCCCCCC(=O)O,"InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)",BDJRBEYXGGNYIS-UHFFFAOYSA-N
BMGC_DG05452,BMG_DG119037,CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl,n1(nc(Cc2ccc(Cl)cc2)c3c(c1=O)cccc3)C4CCN(C)CCC4,"InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3",MBUVEWMHONZEQD-UHFFFAOYSA-N
BMGC_DG05453,BMG_DG119052,,,,
BMGC_DG05454,BMG_DG119055,,NCCCC(=O)Nc1ccc(OCc2ccccc2)cc1,,QTWBKNVNGVYTNZ-UHFFFAOYSA-N
BMGC_DG05455,BMG_DG119056,,C/1(\C(=C(Cl)C(=C1Cl)Cl)Cl)=C(\C(NCCN(CC)CC)=O)/Cl,,LPAJESSSQHVIDM-UHFFFAOYSA-N
BMGC_DG05456,BMG_DG119064,C1=CC=C(C(=C1)C(=O)O)N,c1cccc(c1N)C(O)=O,"InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)",RWZYAGGXGHYGMB-UHFFFAOYSA-N
BMGC_DG05457,BMG_DG119066,,c12c(ccc(c1)[N+]([O-])=O)nc(s2)N,,GPNAVOJCQIEKQF-UHFFFAOYSA-N
BMGC_DG05458,BMG_DG119073,,c1(cc(c(Cl)cc1)Cl)C=O,,ZWUSBSHBFFPRNE-UHFFFAOYSA-N
BMGC_DG05459,BMG_DG119108,C1=CSC(=C1)CNC2=CC(=C(C=C2C3=NNN=N3)S(=O)(=O)N)Cl,S(c1cc(-c2nnn[nH]2)c(cc1Cl)NCc3sccc3)(=O)(=O)N,"InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19)",HMEDEBAJARCKCT-UHFFFAOYSA-N
BMGC_DG05460,BMG_DG119115,,O=Cc1csc2ccccc21,,WDJLPQCBTBZTRH-UHFFFAOYSA-N
BMGC_DG05461,BMG_DG119187,,n1(nc(C)cc1O)CCOc2cc3ccccc3cc2,,ULPLLIRKFGAHTA-UHFFFAOYSA-N
BMGC_DG05462,BMG_DG119199,,C[C@@]12C(=O)O[C@]3([H])[C@]1([H])[C@]([H])([C@@]4(C(=O)C=C[C@@]4([H])[C@H](C)C3)C)OC2(O)C,,CNIULSUYTFOEHN-MEBIVNBJSA-N
BMGC_DG05463,BMG_DG119200,,c1(ccc([N+](=O)[O-])cc1)S(N)(=O)=O,,QWKKYJLAUWFPDB-UHFFFAOYSA-N
BMGC_DG05464,BMG_DG119274,C[C@H](CC1=CC(=CC=C1)OC)N,,"InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3/t8-/m1/s1",VEJWNIYARKAHFI-MRVPVSSYSA-N
BMGC_DG05465,BMG_DG119275,,,,
BMGC_DG05466,BMG_DG119276,,c1c(ccc(c1)C(C(O)=O)C)-c2ccccc2,,JALUUBQFLPUJMY-UHFFFAOYSA-N
BMGC_DG05467,BMG_DG119473,CC1=CC2=C(C=C1C)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57?,59-,60+,61+,62+;;/m1../s1",FDJOLVPMNUYSCM-QJRSUKKJSA-L
BMGC_DG05468,BMG_DG119481,C1=CC(=CC=C1C(CC(=O)O)CN)Cl,C(CC(c1ccc(cc1)Cl)CN)(=O)O,"InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)",KPYSYYIEGFHWSV-UHFFFAOYSA-N
BMGC_DG05469,BMG_DG119516,,,,
BMGC_DG05470,BMG_DG119544,CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4,O1C(C1)COc2ccc(C(c3ccc(OCC4OC4)cc3)(C)C)cc2,"InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3",LCFVJGUPQDGYKZ-UHFFFAOYSA-N
BMGC_DG05471,BMG_DG119578,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@H]1C(=O)C(=O)O)C)O)C)F,[H][C@]12C[C@H](F)C3=CC(=O)C=C[C@]3(C)[C@@]2([H])[C@@H](O)C[C@]4(C)[C@H]([C@H](C)C[C@@]14[H])C(=O)C(O)=O,"InChI=1S/C22H27FO5/c1-10-6-13-12-8-15(23)14-7-11(24)4-5-21(14,2)18(12)16(25)9-22(13,3)17(10)19(26)20(27)28/h4-5,7,10,12-13,15-18,25H,6,8-9H2,1-3H3,(H,27,28)/t10-,12+,13+,15+,16+,17-,18-,21+,22+/m1/s1",PUWHHWCHAVXSIG-NCLPIGKXSA-N
BMGC_DG05472,BMG_DG119587,,O=C(NCCCc1ccccc1)c2ccccc2O,,NCGDIICSZWHCQX-UHFFFAOYSA-N
BMGC_DG05473,BMG_DG119590,CN[C@H](CC(=O)O)C(=O)O,[C@H](NC)(C(=O)O)CC(=O)O,"InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1",HOKKHZGPKSLGJE-GSVOUGTGSA-N
BMGC_DG05474,BMG_DG119626,C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)O,c1ccc2c(oc(cc2=O)-c3ccc(cc3)O)c1,"InChI=1S/C15H10O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9,16H",SHGLJXBLXNNCTE-UHFFFAOYSA-N
BMGC_DG05475,BMG_DG119641,CCCCNCC(C1=CC=C(C=C1)O)O,c1(ccc(cc1)O)C(O)CNCCCC,"InChI=1S/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3",RDUHXGIIUDVSHR-UHFFFAOYSA-N
BMGC_DG05476,BMG_DG119643,CC(C)CC(=O)OC(C(C)C)C(=O)O,,"InChI=1S/C10H18O4/c1-6(2)5-8(11)14-9(7(3)4)10(12)13/h6-7,9H,5H2,1-4H3,(H,12,13)",SOJFCTIYHPWXGZ-UHFFFAOYSA-N
BMGC_DG05477,BMG_DG119654,CCCCCCC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C,[C@]12([C@@](C#C)(OC(=O)CCCCCC)CC[C@]1([C@]3([C@]([C@@]4(C(=CC(=O)CC4)CC3)[H])([H])CC2)[H])[H])C,"InChI=1S/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H3/t21-,22+,23+,24-,26-,27-/m0/s1",APTGJECXMIKIET-WOSSHHRXSA-N
BMGC_DG05478,BMG_DG119675,CCC1(C(=O)NC(=O)NC1=O)CC,N1C(C(CC)(CC)C(NC1=O)=O)=O,"InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)",FTOAOBMCPZCFFF-UHFFFAOYSA-N
BMGC_DG05479,BMG_DG119691,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CC[C@H]35,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC1)[H])(CCC(=O)C4)[H])[H])(CC[C@@H]2OC(=O)CCc5ccccc5)[H])C,"InChI=1S/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1",UBWXUGDQUBIEIZ-QNTYDACNSA-N
BMGC_DG05480,BMG_DG119743,CC(CCCC(C[N+](C)(C)C)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C,,"InChI=1S/C29H54NO2/c1-20(8-7-9-23(32)19-30(4,5)6)25-12-13-26-24-11-10-21-18-22(31)14-16-28(21,2)27(24)15-17-29(25,26)3/h20-27,31-32H,7-19H2,1-6H3/q+1",KWEWGNPMETZMTR-UHFFFAOYSA-N
BMGC_DG05481,BMG_DG119747,,C=CCn1c(=O)c2[nH]cnc2n(CC=C)c1=O,,NUZFZZOVBJUJQN-UHFFFAOYSA-N
BMGC_DG05482,BMG_DG119760,C1COCCN1CCN2C=NC=C2[N+](=O)[O-],n1(c(cnc1)[N+](=O)[O-])CCN2CCOCC2,"InChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2",MDJFHRLTPRPZLY-UHFFFAOYSA-N
BMGC_DG05483,BMG_DG119762,,c12c3c(cccc3)[nH]c1c(ccc2)C,,HIAGSPVAYSSKHL-UHFFFAOYSA-N
BMGC_DG05484,BMG_DG119767,CCCOC(=O)C1=CC=C(C=C1)C,,"InChI=1S/C11H14O2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3",LRNBWFXCDULFQF-UHFFFAOYSA-N
BMGC_DG05485,BMG_DG119773,,c1ccc2c(c1)c(C#N)c[nH]2,,CHIFTAQVXHNVRW-UHFFFAOYSA-N
BMGC_DG05486,BMG_DG119775,CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC,,"InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3",ZFLWDHHVRRZMEI-UHFFFAOYSA-N
BMGC_DG05487,BMG_DG119790,,N#Cc1c(N)nc(-c2ccccc2)nc1-c3ccccc3,,RVAUJCJDJMOIOL-UHFFFAOYSA-N
BMGC_DG05488,BMG_DG119809,C1C(C(=O)NC1=O)C2=CNC3=C2C=C(C=C3)F,O=C1NC(=O)CC1c2c[nH]c3ccc(F)cc32,"InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)",MXKLDYKORJEOPR-UHFFFAOYSA-N
BMGC_DG05489,BMG_DG119821,,Cn1cc(C#N)c2ccccc12,,FBAXZPMXGBNBPE-UHFFFAOYSA-N
BMGC_DG05490,BMG_DG119826,,CCCC(c1ccc(OCc2ccc(-c3csc(CN(Cc4ncc(C(C)(C)C)s4)CC(=O)O)n3)cc2)cc1)CCC,,FKGBFRNVTCFMGU-UHFFFAOYSA-N
BMGC_DG05491,BMG_DG119831,CCCCOC(=O)C(=C)C#N,C(C(=O)OCCCC)(C#N)=C,"InChI=1S/C8H11NO2/c1-3-4-5-11-8(10)7(2)6-9/h2-5H2,1H3",JJJFUHOGVZWXNQ-UHFFFAOYSA-N
BMGC_DG05492,BMG_DG119835,CC(C)NCC(COC1=CC=CC2=C1OC(=C2)C(=O)C)O,c12c(cc(o1)C(C)=O)cccc2OCC(CNC(C)C)O,"InChI=1S/C16H21NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10,13,17,19H,8-9H2,1-3H3",ZPQPDBIHYCBNIG-UHFFFAOYSA-N
BMGC_DG05493,BMG_DG119839,,c12c(nnn1-c3ccccc3)C(=O)c4c(C2=O)cccc4,,KXGSYSDSQRXROA-UHFFFAOYSA-N
BMGC_DG05494,BMG_DG119846,,n1c(sc2c1cccc2)Nc3ccccc3,,QDTDFSFRIDFTCF-UHFFFAOYSA-N
BMGC_DG05495,BMG_DG119847,CCC1(CC(=O)NC(=O)C1)C,N1C(=O)CC(CC1=O)(CC)C,"InChI=1S/C8H13NO2/c1-3-8(2)4-6(10)9-7(11)5-8/h3-5H2,1-2H3,(H,9,10,11)",ORRZGUBHBVWWOP-UHFFFAOYSA-N
BMGC_DG05496,BMG_DG119870,,Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N)cc4)c(S(=O)(=O)O)c3)sc2c1,,OINIYAOVPXPWNV-UHFFFAOYSA-N
BMGC_DG05497,BMG_DG119877,,[O-][N+](=O)c1ccc(NCSc2ccc(Cl)cc2)cc1,,OWRLOGVOPJWMPD-UHFFFAOYSA-N
BMGC_DG05498,BMG_DG119886,CN(C)CCCOC1(CCCCCC1)CC2=CC=CC=C2,C1(Cc2ccccc2)(OCCCN(C)C)CCCCCC1,"InChI=1S/C19H31NO/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3",FYJJXENSONZJRG-UHFFFAOYSA-N
BMGC_DG05499,BMG_DG119900,C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)OCC(=O)O,n1(nc(OCC(=O)O)c2c1cccc2)Cc3ccccc3,"InChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)",BYFMCKSPFYVMOU-UHFFFAOYSA-N
BMGC_DG05500,BMG_DG119923,CC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)C,c12c(OC(O1)(C)C)cccc2OC(NC)=O,"InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)",XEGGRYVFLWGFHI-UHFFFAOYSA-N
BMGC_DG05501,BMG_DG119937,C1=CC=C(C=C1)CC2NC3=C(C=C(C(=C3)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N2,S1(=O)(c2cc(S(N)(=O)=O)c(cc2NC(N1)Cc3ccccc3)C(F)(F)F)=O,"InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)",HDWIHXWEUNVBIY-UHFFFAOYSA-N
BMGC_DG05502,BMG_DG119955,COC1=CC=CC=C1CNCCCCCCNCCSSCCNCCCCCCNCC2=CC=CC=C2OC,c1cc(CNCCCCCCNCCSSCCNCCCCCCNCc2c(cccc2)OC)c(OC)cc1,"InChI=1S/C32H54N4O2S2/c1-37-31-17-9-7-15-29(31)27-35-21-13-5-3-11-19-33-23-25-39-40-26-24-34-20-12-4-6-14-22-36-28-30-16-8-10-18-32(30)38-2/h7-10,15-18,33-36H,3-6,11-14,19-28H2,1-2H3",IIWOUNLDWKZMQI-UHFFFAOYSA-N
BMGC_DG05503,BMG_DG119961,CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2,c1(cc(ccc1)C(F)(F)F)CC(NCCOC(c2ccccc2)=O)C,"InChI=1S/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3",CJAVTWRYCDNHSM-UHFFFAOYSA-N
BMGC_DG05504,BMG_DG119967,,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO)O)cnc3c1ccnc3N,,DBZQFUNLCALWDY-PNHWDRBUSA-N
BMGC_DG05505,BMG_DG119977,C(CC(C(=O)O)N)CN=C(N)N,C(=N)(NCCCC(C(=O)O)N)N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)",ODKSFYDXXFIFQN-UHFFFAOYSA-N
BMGC_DG05506,BMG_DG119980,C[C@@H]1C[C@@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)O)C(=C)C(=O)O2,[C@]12([C@]([C@@H](C[C@@]3([C@]([C@@H]1O)(C(C(=O)O3)=C)[H])[H])C)(C=CC2=O)[H])C,"InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1",ZVLOPMNVFLSSAA-XEPQRQSNSA-N
BMGC_DG05507,BMG_DG120010,CC1=C(C(C(=C(N1)C)C(=O)OC2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC,,"InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3",QZVNQOLPLYWLHQ-UHFFFAOYSA-N
BMGC_DG05508,BMG_DG120022,,C1(CCCCC1)(c2ccc(cc2)O)c3ccc(cc3)O,,SDDLEVPIDBLVHC-UHFFFAOYSA-N
BMGC_DG05509,BMG_DG120030,,C[C@@]12C(=O)C[C@]([H])([C@H](C)CC(=O)CC(C)C(=O)O)[C@]1([C@@H](C(=O)C=3[C@]4(CCC(=O)C(C)(C)[C@]4([H])CC(=O)C23)C)OC(=O)C)C,,BWCNWXLKMWWVBT-AIMUVTGPSA-N
BMGC_DG05510,BMG_DG120078,C1COC(=O)C1C2=CC=CC=C2,,"InChI=1S/C10H10O2/c11-10-9(6-7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2",QGHNDAKWOGAJHS-UHFFFAOYSA-N
BMGC_DG05511,BMG_DG120080,C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O,c1(c(c(CNNC(C(N)CO)=O)ccc1O)O)O,"InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)",BNQDCRGUHNALGH-UHFFFAOYSA-N
BMGC_DG05512,BMG_DG120082,,,,
BMGC_DG05513,BMG_DG120152,CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1,,"InChI=1S/C22H40N/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(2,3)21-22-18-15-14-16-19-22/h14-16,18-19H,4-13,17,20-21H2,1-3H3/q+1",VVZBFOKBSDGVGZ-UHFFFAOYSA-N
BMGC_DG05514,BMG_DG120163,C1=CC=C(C=C1)C(=O)N,c1(ccccc1)C(N)=O,"InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)",KXDAEFPNCMNJSK-UHFFFAOYSA-N
BMGC_DG05515,BMG_DG120172,C1=CC=C(C=C1)C(=N)N,c1cc(ccc1)C(N)=N,"InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)",PXXJHWLDUBFPOL-UHFFFAOYSA-N
BMGC_DG05516,BMG_DG120180,C1=CC=C2C(=C1)NC(=N2)C(=O)O,O=C(O)c1nc2ccccc2[nH]1,"InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12)",RHXSYTACTOMVLJ-UHFFFAOYSA-N
BMGC_DG05517,BMG_DG120186,C(CC(=O)O)[C@H](C(=O)O)N,C(=O)([C@@H](CCC(=O)O)N)O,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1",WHUUTDBJXJRKMK-GSVOUGTGSA-N
BMGC_DG05518,BMG_DG120189,CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br,c1(c(oc2c1cccc2)CC)C(c3cc(Br)c(c(c3)Br)O)=O,"InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3",WHQCHUCQKNIQEC-UHFFFAOYSA-N
BMGC_DG05519,BMG_DG120200,,c1(c(c(c(C(O)=O)c(c1C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O,,YDSWCNNOKPMOTP-UHFFFAOYSA-N
BMGC_DG05520,BMG_DG120213,,C[C@@]12C(=O)CC[C@@]1([H])[C@]3([H])CCc4c(c(O)ccc4[C@@]3([H])CC2)[N+]([O-])=O,,WNYWRAYXFFPPGN-QDTBLXIISA-N
BMGC_DG05521,BMG_DG120215,CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2,C(c1ccc(OCCOCC[N+](Cc2ccccc2)(C)C)cc1)(CC(C)(C)C)(C)C,"InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1",SIYLLGKDQZGJHK-UHFFFAOYSA-N
BMGC_DG05522,BMG_DG120217,,C#CCN(CC#C)CC#C,,ZHOBJWVNWMQMLF-UHFFFAOYSA-N
BMGC_DG05523,BMG_DG120227,C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3,c1ccc2c3c1ccc4cc5c(c(cc2)c34)cccc5,InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H,FMMWHPNWAFZXNH-UHFFFAOYSA-N
BMGC_DG05524,BMG_DG120229,,c1(ncccc1)NCc2ccccc2,,WYHXNQXDQQMTQI-UHFFFAOYSA-N
BMGC_DG05525,BMG_DG120238,CCOC(=O)C1=CC=C(C=C1)N,C(c1ccc(cc1)N)(=O)OCC,"InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3",BLFLLBZGZJTVJG-UHFFFAOYSA-N
BMGC_DG05526,BMG_DG120270,,c1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1,,FDOZNCJWYJMHAG-UHFFFAOYSA-N
BMGC_DG05527,BMG_DG120273,,O=C(NCCO)c1ccc(Cl)cc1,,GBARCMIFTACERW-UHFFFAOYSA-N
BMGC_DG05528,BMG_DG120275,,,,
BMGC_DG05529,BMG_DG120278,C(CCCCCSCCO)CCCCSCCO,S(CCO)CCCCCCCCCCSCCO,"InChI=1S/C14H30O2S2/c15-9-13-17-11-7-5-3-1-2-4-6-8-12-18-14-10-16/h15-16H,1-14H2",WRCITXQNXAIKLR-UHFFFAOYSA-N
BMGC_DG05530,BMG_DG120285,,C(c1ccccc1)C(C)N(C)Cc2ccccc2,,YXKTVDFXDRQTKV-UHFFFAOYSA-N
BMGC_DG05531,BMG_DG120287,,C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CC[C@@H](C)[C@@H]4C)[H])=CC(=O)[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](OC(C)=O)CC5)[H])[H],,XDHCWTUZCOFKRH-CIKBGXLUSA-N
BMGC_DG05532,BMG_DG120288,CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)OC)OC,O(c1c(OC)c(OC)cc2c1-c3ccc(O)c(=O)cc3[C@@H](NC(=O)C)CC2)C,"InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)/t15-/m0/s1",PRGILOMAMBLWNG-HNNXBMFYSA-N
BMGC_DG05533,BMG_DG120294,CC1=CC(=C(C=C1CC2=CN=C(N=C2N)N)OC)OC,n1c(c(Cc2cc(OC)c(cc2C)OC)cnc1N)N,"InChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)",KEEYRKYKLYARHO-UHFFFAOYSA-N
BMGC_DG05534,BMG_DG120297,CCN(CC)C(=O)C1CN2CCC3=CC(=C(C=C3C2CC1OC(=O)C)OC)OC,,"InChI=1S/C22H32N2O5/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25/h10-11,17-19H,6-9,12-13H2,1-5H3",JSZILQVIPPROJI-UHFFFAOYSA-N
BMGC_DG05535,BMG_DG120339,C1=CC=C(C=C1)CSCC2=NS(=O)(=O)C3=CC(=C(C=C3N2)Cl)S(=O)(=O)N,S1(c2c(cc(c(S(=O)(=O)N)c2)Cl)N=C(N1)CSCc3ccccc3)(=O)=O,"InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)",NDTSRXAMMQDVSW-UHFFFAOYSA-N
BMGC_DG05536,BMG_DG120355,,O.[O-]S([O-])(=O)=O.[Fe+3].O.O.O.O.[Fe+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,,YHGPYBQVSJBGHH-UHFFFAOYSA-H
BMGC_DG05537,BMG_DG120364,C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2,C(OCc1ccccc1)(=O)c2ccccc2,"InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2",SESFRYSPDFLNCH-UHFFFAOYSA-N
BMGC_DG05538,BMG_DG120369,,COc1cccc2cc(C(=O)O)c(=O)oc12,,SFAPWVZFUHJZIC-UHFFFAOYSA-N
BMGC_DG05539,BMG_DG120376,C1=CC=C(C=C1)CN=C=S,c1(ccccc1)CN=C=S,"InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2",MDKCFLQDBWCQCV-UHFFFAOYSA-N
BMGC_DG05540,BMG_DG120392,,S1(c2c(NC(Cc3ccccc3)N1)cc(c(c2)S(N)(=O)=O)Cl)(=O)=O,,BWSSMIJUDVUASQ-UHFFFAOYSA-N
BMGC_DG05541,BMG_DG120393,CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)NC(C)(C)C,c1ccc(cc1)C(c2ccccc2)CC(C)NC(C)(C)C,"InChI=1S/C20H27N/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21H,15H2,1-4H3",UISARWKNNNHPGI-UHFFFAOYSA-N
BMGC_DG05542,BMG_DG120395,,N=C(N)SCc1ccc(Cl)cc1Cl,,KTXXYZBSQYXMPO-UHFFFAOYSA-N
BMGC_DG05543,BMG_DG120404,CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C,,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)",JGSARLDLIJGVTE-UHFFFAOYSA-N
BMGC_DG05544,BMG_DG120412,COC(=O)[C@H](CC1=CC(=C(C=C1)O)O)N,c1(cc(ccc1O)C[C@@H](C(OC)=O)N)O,"InChI=1S/C10H13NO4/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6/h2-3,5,7,12-13H,4,11H2,1H3/t7-/m0/s1",XBBDACCLCFWBSI-ZETCQYMHSA-N
BMGC_DG05545,BMG_DG120417,C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O,,"InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)",YWGDOWXRIALTES-UHFFFAOYSA-N
BMGC_DG05546,BMG_DG120435,CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3,N(CC(N1CCCC1)COCC(C)C)(Cc2ccccc2)c3ccccc3,"InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3",UIEATEWHFDRYRU-UHFFFAOYSA-N
BMGC_DG05547,BMG_DG120452,,O=C(NCc1ccccn1)c2ccc(Oc3ccccc3)cc2,,HVLSCZSVTCNAQX-UHFFFAOYSA-N
BMGC_DG05548,BMG_DG120453,CN1CCC2=CC3=C(C4=C2C1CC5=CC=CC=C54)OCO3,,"InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3",JCTYWRARKVGOBK-UHFFFAOYSA-N
BMGC_DG05549,BMG_DG120466,COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC,[n+]12c(-c3cc4OCOc4cc3CC1)cc5c(c2)c(c(OC)cc5)OC,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",YBHILYKTIRIUTE-UHFFFAOYSA-N
BMGC_DG05550,BMG_DG120481,C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N,c1(ccc(N/N=N/c2ccc(C(N)=N)cc2)cc1)C(N)=N,"InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)",XNYZHCFCZNMTFY-UHFFFAOYSA-N
BMGC_DG05551,BMG_DG120492,COC1=C2C=CC(=O)OC2=CC3=C1C=CO3,c12c(oc(cc1)=O)cc3c(c2OC)cco3,"InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3",BGEBZHIAGXMEMV-UHFFFAOYSA-N
BMGC_DG05552,BMG_DG120511,,Nc1cccc2cc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)ccc12,,BAYMNCHSODLCJV-UHFFFAOYSA-N
BMGC_DG05553,BMG_DG120527,C1=CC(=C(C=C1CC(C(=O)O)N)[N+](=O)[O-])O,,"InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)",FBTSQILOGYXGMD-UHFFFAOYSA-N
BMGC_DG05554,BMG_DG120530,,C1(OC(C)(C)c2c1cccc2)(c3ccccc3)CCCNC,,LJBBMCNHIUJBDU-UHFFFAOYSA-N
BMGC_DG05555,BMG_DG120532,C1CC2C3C(C[S+]2C1)N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5,N1(C(N(C2C1C[S+]3CCCC32)Cc4ccccc4)=O)Cc5ccccc5,"InChI=1S/C22H25N2OS/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2/q+1",CHQOEHPMXSHGCL-UHFFFAOYSA-N
BMGC_DG05556,BMG_DG120539,CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.O.Cl,,"InChI=1S/C33H38N4O6.ClH.H2O/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;;/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1H;1H2/t33-;;/m0../s1",OHNBIIZWIUBGTK-NYPSMHOZSA-N
BMGC_DG05557,BMG_DG120546,CCCNC(=O)C1=NN=C2C(=C1N)C=CC=C2C3=C(C=CC=C3F)OC,c1cc(c2c(c1)c(c(nn2)C(=O)NCCC)N)-c3c(cccc3OC)F,"InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)",KYDURMHFWXCKMW-UHFFFAOYSA-N
BMGC_DG05558,BMG_DG120551,CC1=C(C2=C(N1CC3=C(C=C(C=C3)S(=O)(=O)C)C(F)(F)F)N=CC=C2)CC(=O)O,C(Cc1c(n(c2c1cccn2)Cc3c(cc(cc3)S(=O)(=O)C)C(F)(F)F)C)(=O)O,"InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)",GFPPXZDRVCSVNR-UHFFFAOYSA-N
BMGC_DG05559,BMG_DG120554,C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4,S\1C(NC(/C1=C/c2cc3c(ccnc3cc2)-c4ccncc4)=O)=O,"InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)/b16-10-",QDITZBLZQQZVEE-YBEGLDIGSA-N
BMGC_DG05560,BMG_DG120571,,,,
BMGC_DG05561,BMG_DG120572,,,,
BMGC_DG05562,BMG_DG120573,,,,
BMGC_DG05563,BMG_DG120574,,,,
BMGC_DG05564,BMG_DG120575,,,,
BMGC_DG05565,BMG_DG120577,B(C1=CC2=CC=CC=C2S1)(O)O,OB(O)c1cc2c(s1)cccc2,"InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H",YNCYPMUJDDXIRH-UHFFFAOYSA-N
BMGC_DG05566,BMG_DG120580,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC=C)O)CCC4=CCCC[C@H]34,[C@]12([C@]([C@]3([C@]([C@@]4(C(=CCCC4)CC3)[H])([H])CC1)[H])(CC[C@@]2(O)CC=C)[H])C,"InChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1",ATXHVCQZZJYMCF-XUDSTZEESA-N
BMGC_DG05567,BMG_DG120585,,S(Nc1cc(N)ccc1)(c2ccc(cc2)N)(=O)=O,,AETYVJKNUMRBSP-UHFFFAOYSA-N
BMGC_DG05568,BMG_DG120602,C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43,c12c3c(ccc1oc(-c4ccccc4)cc2=O)cccc3,InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H,OUGIDAPQYNCXRA-UHFFFAOYSA-N
BMGC_DG05569,BMG_DG120688,C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Fe+2],[Fe+2].OC[C@@H](O)[C@H]([C@@H]([C@H](C([O-])=O)O)O)O.OC[C@@H](O)[C@H]([C@@H]([C@H](C([O-])=O)O)O)O,"InChI=1S/2C6H12O7.Fe/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1",VRIVJOXICYMTAG-IYEMJOQQSA-L
BMGC_DG05570,BMG_DG120753,,[C@]12([C@@]3([C@]([C@@]4(CC[C@@H]([C@]4(CC3)C)O)[H])([C@H](C)C[C@]1(C[C@H](CC2)O)[H])[H])[H])C,,ABKKSPPWUYAREL-NZPOWLKHSA-N
BMGC_DG05571,BMG_DG120835,,C(CCC)N1[C@@H](CO)[C@@H](O)[C@H](O)[C@@H](O)C1,,UQRORFVVSGFNRO-AXTSPUMRSA-N
BMGC_DG05572,BMG_DG120857,,,,
BMGC_DG05573,BMG_DG120872,,,,
BMGC_DG05574,BMG_DG120873,,,,
BMGC_DG05575,BMG_DG120874,,O(CCCOC)c1c(OC)ccc(C[C@@H](C[C@@H]([C@H](C[C@H](C(NCC(C(O)=O)(C)C)=O)C(C)C)O)N)C(C)C)c1,,LRZFGPAQWQGXCX-QORCZRPOSA-N
BMGC_DG05576,BMG_DG120882,,,,
BMGC_DG05577,BMG_DG120884,CC1=CN=C(C=C1)N2[C@H](COC3=C(C=CC=C32)C(=O)NC4=CN=C(C=C4)OCC(F)(F)F)CO,Cc1cnc(N2[C@@H](CO)COc3c(C(Nc4cnc(OCC(F)(F)F)cc4)=O)cccc32)cc1,"InChI=1S/C23H21F3N4O4/c1-14-5-7-19(27-9-14)30-16(11-31)12-33-21-17(3-2-4-18(21)30)22(32)29-15-6-8-20(28-10-15)34-13-23(24,25)26/h2-10,16,31H,11-13H2,1H3,(H,29,32)/t16-/m0/s1",QZUCKCLSVBFSOS-INIZCTEOSA-N
BMGC_DG05578,BMG_DG120886,CCCCCCCCCCCCCCCCOCCCOP(=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)O,c12c(ncn1C[C@H](OCP(O)(OCCCOCCCCCCCCCCCCCCCC)=O)C)c(ncn2)N,"InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1",SCTJKHUUZLXJIP-RUZDIDTESA-N
BMGC_DG05579,BMG_DG120888,,,,
BMGC_DG05580,BMG_DG120891,,,,
BMGC_DG05581,BMG_DG120892,CCCNC(=O)C1=NN=C2C(=C1N)C=CC=C2C3=C(C=CC(=C3)OC)OC,n1nc(c(c2cccc(c12)-c3c(ccc(c3)OC)OC)N)C(=O)NCCC,"InChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)",NVWCZRPXYVDQEE-UHFFFAOYSA-N
BMGC_DG05582,BMG_DG120897,COC1=CC=CC(=C1)C2=CC=C(C=C2)[C@H](C(F)(F)F)OC3=NC(=NC(=C3)C4=CC=C(C=C4)C[C@@H](C(=O)O)N)N,c1c(cc(cc1)-c2ccc(cc2)[C@@H](Oc3cc(nc(n3)N)-c4ccc(cc4)C[C@@H](C(O)=O)N)C(F)(F)F)OC,"InChI=1S/C28H25F3N4O4/c1-38-21-4-2-3-20(14-21)17-9-11-19(12-10-17)25(28(29,30)31)39-24-15-23(34-27(33)35-24)18-7-5-16(6-8-18)13-22(32)26(36)37/h2-12,14-15,22,25H,13,32H2,1H3,(H,36,37)(H2,33,34,35)/t22-,25+/m0/s1",XNMUICFMGGQSMZ-WIOPSUGQSA-N
BMGC_DG05583,BMG_DG120898,,C[C@H](NC(=O)Cn1cnc2c1c(F)c(F)cc2)c3ccc(cc3)C(C)(C)C,,FPGNKXCEPARJDI-ZDUSSCGKSA-N
BMGC_DG05584,BMG_DG120899,,C#CCNc1c2c(ncc1)sc3c2ncn(c3=O)-c4ccc(cc4)OC,,WIAAIYJUCDAKFY-UHFFFAOYSA-N
BMGC_DG05585,BMG_DG120900,,Clc1ccc(cc1)-n2c(c3sc4c(c3nc2)c(ccn4)NCC#C)=O,,MAYHTEHJUHRFSA-UHFFFAOYSA-N
BMGC_DG05586,BMG_DG120901,,N(C(=O)NC[C@H]1CC[C@]2([C@@H](Nc3ccc(cc3[C@]2(O1)[H])C(F)(F)F)c4ccccc4)[H])CCN(C)C,,MARIUIDCPUZLKZ-FUKQBSRTSA-N
BMGC_DG05587,BMG_DG120903,C1=CC(=CC(=C1)Cl)C2=CC(=C(N=C2)C(=O)NCC(=O)O)O,c1c(cc(-c2cnc(C(=O)NCC(O)=O)c(O)c2)cc1)Cl,"InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)",JGRXMPYUTJLTKT-UHFFFAOYSA-N
BMGC_DG05588,BMG_DG120904,,C(CCc1c(OC)cc(O)cc1)(c2c(OC)cc(OC)c(CCC(=O)c3ccc(O)cc3)c2)c4ccc(O)cc4,,QFWXEYRQNKRQDH-UHFFFAOYSA-N
BMGC_DG05589,BMG_DG120906,,C(CCc1c(OC)cc(O)cc1)(c2cc(CCC(=O)c3ccc(O)cc3)c(OC)cc2O)c4ccc(OC)cc4,,SLJWKFROLINAGW-UHFFFAOYSA-N
BMGC_DG05590,BMG_DG120908,,N(C(CCC(O)=O)=O)(C1CCN(CC1)CCc2ccccc2)c3ccccc3,,MEVFKTVEGJUHHI-UHFFFAOYSA-N
BMGC_DG05591,BMG_DG120909,C1COCCN1CCOC2=CC=C(C=C2)C3=CN=C(C=C3)CC(=O)NCC4=CC=CC=C4,O1CCN(CC1)CCOc2ccc(cc2)-c3ccc(nc3)CC(NCc4ccccc4)=O,"InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)",HUNGUWOZPQBXGX-UHFFFAOYSA-N
BMGC_DG05592,BMG_DG120916,,,,
BMGC_DG05593,BMG_DG120917,,,,
BMGC_DG05594,BMG_DG120919,,C[C@]12[C@@]([H])([C@@]3([H])[C@H](C(C)=C)CC[C@@]3(CC1)COC(C)=O)CC[C@]4([H])[C@]5(C)[C@@]([H])(CC[C@]42C)C(C)(C)[C@@H](OC(C)=O)CC5,,MIROITGPMGDCGI-MQXQNARFSA-N
BMGC_DG05595,BMG_DG120921,,C1(CC[C@@]2([C@]3(CC[C@@]4([C@H](CC[C@]4([C@@]3(C[C@@H](C2=C1)C)[H])[H])O)C)[H])C)=O,,QRHBXQAFGLVWFW-JQMFHEMUSA-N
BMGC_DG05596,BMG_DG120924,C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[C@]3(CO3)C)NC(=O)CN4CCOCC4,,"InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1",WQAVPPWWLLVGFK-VTNASVEKSA-N
BMGC_DG05597,BMG_DG120925,,Cc1c(-c2c3c(C[C@H](CC3)N(C)C)ccc2)c(nn1C)C,,BTTOYOKCLDAHHO-HNNXBMFYSA-N
BMGC_DG05598,BMG_DG120927,CCNCCC1=CC=C(C=C1)CN(CC)C2=C(C=CC(=C2)OC)[C@@H]3CCC4=C(C3)C=CC(=C4)O,N(c1cc(OC)ccc1[C@@]2(CCc3cc(O)ccc3C2)[H])(CC)Cc4ccc(CCNCC)cc4,"InChI=1S/C30H38N2O2/c1-4-31-17-16-22-6-8-23(9-7-22)21-32(5-2)30-20-28(34-3)14-15-29(30)26-11-10-25-19-27(33)13-12-24(25)18-26/h6-9,12-15,19-20,26,31,33H,4-5,10-11,16-18,21H2,1-3H3/t26-/m1/s1",SIFNOOUKXBRGGB-AREMUKBSSA-N
BMGC_DG05599,BMG_DG120928,,c1(ccc(cc1)-n2c(c(cc2-c3ccc(cc3)Cl)C(CC)=O)C)S(=O)(=O)N,,ABACVOXFUHDKNZ-UHFFFAOYSA-N
BMGC_DG05600,BMG_DG120933,,C1CCc2ccccc2C1NC(=O)CCCCCN3CCN(CC3)c4ccccc4-c5ccccc5,,NMZIDFFHGCRAJV-UHFFFAOYSA-N
BMGC_DG05601,BMG_DG120939,,,,
BMGC_DG05602,BMG_DG120940,,,,
BMGC_DG05603,BMG_DG120943,,,,
BMGC_DG05604,BMG_DG120946,,O=C(Oc1cccc(c1)C(N(C)C)C)N(C)C,,AIHREYCBCYOMLZ-UHFFFAOYSA-N
BMGC_DG05605,BMG_DG120947,,,,
BMGC_DG05606,BMG_DG120948,C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34CC5CC(C3)(CC(C5)(C4)O)O)N,N1([C@@]2([C@](C[C@H]1C#N)(C2)[H])[H])C(=O)[C@@H](N)C34CC5(CC(C3)CC(C4)(C5)O)O,"InChI=1S/C18H25N3O3/c19-6-12-1-11-2-13(11)21(12)15(22)14(20)16-3-10-4-17(23,7-16)9-18(24,5-10)8-16/h10-14,23-24H,1-5,7-9,20H2/t10?,11-,12+,13+,14-,16?,17?,18?/m1/s1",GAWUJFVQGSLSSZ-SZRCHTAPSA-N
BMGC_DG05607,BMG_DG120949,,,,
BMGC_DG05608,BMG_DG120950,CCC(C)C1=CC=C(C=C1)OC2=CC=CC=C2S(=O)(=O)N[C@@H](CC(=O)O)C=O,,"InChI=1S/C20H23NO6S/c1-3-14(2)15-8-10-17(11-9-15)27-18-6-4-5-7-19(18)28(25,26)21-16(13-22)12-20(23)24/h4-11,13-14,16,21H,3,12H2,1-2H3,(H,23,24)/t14?,16-/m0/s1",UNMXZMXSKXKBNS-WMCAAGNKSA-N
BMGC_DG05609,BMG_DG120951,,Cc1ccsc1-c2cccnc2,,JIOQSJVEVFADJG-UHFFFAOYSA-N
BMGC_DG05610,BMG_DG120952,,,,
BMGC_DG05611,BMG_DG120953,,N1c2c(C(=O)O)cccc2Sc3c1cc(C(F)(F)F)cc3,,WXIGSVFQTLVMQM-UHFFFAOYSA-N
BMGC_DG05612,BMG_DG120954,,,,
BMGC_DG05613,BMG_DG120955,,,,
BMGC_DG05614,BMG_DG120956,,,,
BMGC_DG05615,BMG_DG120957,,,,
BMGC_DG05616,BMG_DG120959,,,,
BMGC_DG05617,BMG_DG120960,,,,
BMGC_DG05618,BMG_DG120961,,,,
BMGC_DG05619,BMG_DG120962,,,,
BMGC_DG05620,BMG_DG120964,,,,
BMGC_DG05621,BMG_DG120967,CCC(=O)NS(=O)(=O)C1=C(C=CC(=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)OCC#C)F)C,CCC(=O)NS(=O)(=O)c1cc(ccc1C)Nc2ncc(c(n2)Nc3ccc(cc3)OCC#C)F,"InChI=1S/C23H22FN5O4S/c1-4-12-33-18-10-8-16(9-11-18)26-22-19(24)14-25-23(28-22)27-17-7-6-15(3)20(13-17)34(31,32)29-21(30)5-2/h1,6-11,13-14H,5,12H2,2-3H3,(H,29,30)(H2,25,26,27,28)",IGLNXKVGKIFNBQ-UHFFFAOYSA-N
BMGC_DG05622,BMG_DG120968,C1=CC=C(C(=C1)C2=NC3=CN(C=CC3=N2)CC4=NN=C(C=C4)C5=C(C=C(C=C5)C(F)(F)F)C(F)(F)F)F,c1(cc(c(cc1)-c2ccc(nn2)Cn3cc4-c(cc3)nc(n4)-c5c(F)cccc5)C(F)(F)F)C(F)(F)F,"InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2",XBEQSQDCBSKCHJ-UHFFFAOYSA-N
BMGC_DG05623,BMG_DG120970,CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)NS(=O)(=O)C,n1c(c(c(c2ccccc12)C(=O)N[C@@H](CC)c3ccccc3)NS(=O)(=O)C)-c4ccccc4,"InChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1",QYTBBBAHNIWFOD-NRFANRHFSA-N
BMGC_DG05624,BMG_DG120971,,c1c(C(=O)OCC)c(C)nc(N2CCC(C(NS(=O)(=O)Cc3ccccc3)=O)CC2)c1C#N,,NEMHKCNXXRQYRF-UHFFFAOYSA-N
BMGC_DG05625,BMG_DG120979,,CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c2nnnn2CCOC(NCCCCO)=O,,KJXOYJXMFGXDRR-QGZVFWFLSA-N
BMGC_DG05626,BMG_DG120981,C1COC1=O,C1(OCC1)=O,InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2,VEZXCJBBBCKRPI-UHFFFAOYSA-N
BMGC_DG05627,BMG_DG120983,CC1=CC(=C2C(=C1)NC(=N2)C3=CN=C(N=C3C)NCCCC4CCN(CC4)C)C,c1(nc(c(cn1)-c2nc3c([nH]2)cc(cc3C)C)C)NCCCC4CCN(CC4)C,"InChI=1S/C23H32N6/c1-15-12-16(2)21-20(13-15)27-22(28-21)19-14-25-23(26-17(19)3)24-9-5-6-18-7-10-29(4)11-8-18/h12-14,18H,5-11H2,1-4H3,(H,27,28)(H,24,25,26)",FCRFVPZAXGJLPW-UHFFFAOYSA-N
BMGC_DG05628,BMG_DG120988,,O1C[C@@H](n2c3c1c(ccc3c(c(c2)C(=O)O)=O)N4CCN(CC4)C)C,,ANLIAKDHRADSBT-NSHDSACASA-N
BMGC_DG05629,BMG_DG120990,CC(C)C[C@@H]1CN2CCC3=CC(=C(C=C3[C@H]2C[C@H]1O)OC)OCCCF,c12c(CCN3C[C@H]([C@@H](C[C@@]31[H])O)CC(C)C)cc(c(c2)OC)OCCCF,"InChI=1S/C21H32FNO3/c1-14(2)9-16-13-23-7-5-15-10-21(26-8-4-6-22)20(25-3)11-17(15)18(23)12-19(16)24/h10-11,14,16,18-19,24H,4-9,12-13H2,1-3H3/t16-,18-,19-/m1/s1",GNKGXQHHUUEYQV-BHIYHBOVSA-N
BMGC_DG05630,BMG_DG120991,CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O,N1(CCCC1)C[C@H]([C@@H](c2ccc3c(c2)OCCO3)O)NC(CCCCCCC)=O,"InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23-/m1/s1",FJZZPCZKBUKGGU-AUSIDOKSSA-N
BMGC_DG05631,BMG_DG120993,,c1cccc(c1)CCNC(=O)/C=C/c2ccc(cc2)O,,GQNHFEIKUYMXAQ-DHZHZOJOSA-N
BMGC_DG05632,BMG_DG120995,,N1(CCC(CC1)CC2Cc3cc(c(cc3C2)OC)OC)Cc4ccccc4,,DUOWFFYJKGBOQB-UHFFFAOYSA-N
BMGC_DG05633,BMG_DG121000,,,,
BMGC_DG05634,BMG_DG121001,,,,
BMGC_DG05635,BMG_DG121002,,,,
BMGC_DG05636,BMG_DG121003,,,,
BMGC_DG05637,BMG_DG121004,,,,
BMGC_DG05638,BMG_DG121005,,,,
BMGC_DG05639,BMG_DG121007,,,,
BMGC_DG05640,BMG_DG121008,,,,
BMGC_DG05641,BMG_DG121009,,,,
BMGC_DG05642,BMG_DG121010,,,,
BMGC_DG05643,BMG_DG121013,CC(C1=C(C(=CC(=C1)Cl)OC)OC)NC2=C(C=CC(=C2)N3CCNCC3)S(=O)(=O)C.Cl,N(c1c(ccc(c1)N2CCNCC2)S(=O)(=O)C)C(C)c3c(c(cc(c3)Cl)OC)OC.Cl,"InChI=1S/C21H28ClN3O4S.ClH/c1-14(17-11-15(22)12-19(28-2)21(17)29-3)24-18-13-16(25-9-7-23-8-10-25)5-6-20(18)30(4,26)27;/h5-6,11-14,23-24H,7-10H2,1-4H3;1H",PILCQJJJAFRKHO-UHFFFAOYSA-N
BMGC_DG05644,BMG_DG121014,C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CC[C@@H]3CN(C[C@H]3[C@@H]2C4=CC=C(C=C4)F)C5=CC(=O)CC5,C1(CCC(N2C[C@@]3([C@@]([C@@H]([C@H](CC3)O[C@@H](c4cc(cc(c4)C(F)(F)F)C(F)(F)F)C)c5ccc(cc5)F)([H])C2)[H])=C1)=O,"InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1",FLNYCRJBCNNHRH-OIYLJQICSA-N
BMGC_DG05645,BMG_DG121020,,,,
BMGC_DG05646,BMG_DG121021,CC1=CC(=CC(=C1O)C)C[C@H](C(=O)N2CCC(CC2)N3CCOCC3)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O,C1OCCN(C1)C2CCN(CC2)C([C@H](OC(N3CCC(CC3)N4CCc5c(NC4=O)cccc5)=O)Cc6cc(c(c(c6)C)O)C)=O,"InChI=1S/C35H47N5O6/c1-24-21-26(22-25(2)32(24)41)23-31(33(42)38-12-8-28(9-13-38)37-17-19-45-20-18-37)46-35(44)39-14-10-29(11-15-39)40-16-7-27-5-3-4-6-30(27)36-34(40)43/h3-6,21-22,28-29,31,41H,7-20,23H2,1-2H3,(H,36,43)/t31-/m1/s1",HTLWMOKBJQKDIJ-WJOKGBTCSA-N
BMGC_DG05647,BMG_DG121022,,,,
BMGC_DG05648,BMG_DG121029,C1=CC(=C(C=C1C2=CC3=C(O2)C(=CC(=C3)/C=C(/C(=C/C4=CC5=C(C(=C4)Br)OC(=C5C(=O)O)C6=CC(=C(C=C6)O)Br)/OS(=O)(=O)[O-])\OS(=O)(=O)[O-])Br)Br)O.[Na+].[Na+],,"InChI=1S/C33H18Br4O14S2.2Na/c34-20-11-16(1-3-24(20)38)26-13-18-5-14(7-22(36)30(18)48-26)9-27(50-52(42,43)44)28(51-53(45,46)47)10-15-6-19-29(33(40)41)31(49-32(19)23(37)8-15)17-2-4-25(39)21(35)12-17;;/h1-13,38-39H,(H,40,41)(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2/b27-9-,28-10-;;",XKIJWXPLHXBRNA-GJMBIJSZSA-L
BMGC_DG05649,BMG_DG121030,C1=CC(=C(C=C1C2=CC3=C(O2)C(=CC(=C3)/C=C(\OS(=O)(=O)[O-])/C(=C/C4=CC5=C(OC(=C5)C6=CC(=C(C=C6)O)Br)C(=C4)Br)/OS(=O)(=O)[O-])Br)Br)O.[Na+].[Na+],,"InChI=1S/C32H18Br4O12S2.2Na/c33-21-11-17(1-3-25(21)37)27-13-19-5-15(7-23(35)31(19)45-27)9-29(47-49(39,40)41)30(48-50(42,43)44)10-16-6-20-14-28(46-32(20)24(36)8-16)18-2-4-26(38)22(34)12-18;;/h1-14,37-38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b29-9-,30-10-;;",FXPJDFSMGKKULQ-WLADAGMQSA-L
BMGC_DG05650,BMG_DG121034,,,,
BMGC_DG05651,BMG_DG121037,,c1(ncc(C(Nc2c(cccc2C)Cl)=O)s1)Nc3nc(nc(N4CCN(CC4)CCF)c3)C,,PLZOWXHKTJJSQR-UHFFFAOYSA-N
BMGC_DG05652,BMG_DG121041,,,,
BMGC_DG05653,BMG_DG121055,,,,
BMGC_DG05654,BMG_DG121065,,,,
BMGC_DG05655,BMG_DG121068,CNCCC1=CC=CC=N1,n1c(CCNC)cccc1,"InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3",UUQMNUMQCIQDMZ-UHFFFAOYSA-N
BMGC_DG05656,BMG_DG121073,,C(c1ccc(cc1)CN(CC)CC)(=O)N([C@H]2CNCC2)CCc3c(cccc3)OC,,XKPJTOHUPQWSOJ-HSZRJFAPSA-N
BMGC_DG05657,BMG_DG121075,,,,
BMGC_DG05658,BMG_DG121099,C(CS(=O)(=O)[O-])S.[Na+],S([O-])(CCS)(=O)=O.[Na+],"InChI=1S/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5);/q;+1/p-1",XOGTZOOQQBDUSI-UHFFFAOYSA-M
BMGC_DG05659,BMG_DG121161,CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C3=CC=CC(=C3O2)CCCC(=O)[O-])O)O.[Na+],[C@H]1([C@]2(c3c(O[C@]2(C[C@H]1O)[H])c(ccc3)CCCC([O-])=O)[H])/C=C/[C@@H](O)C(CC#CC)C.[Na+],"InChI=1S/C24H30O5.Na/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28;/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28);/q;+1/p-1/b13-12+;/t15?,17-,19+,20+,21-,23-;/m0./s1",YTCZZXIRLARSET-VJRSQJMHSA-M
BMGC_DG05660,BMG_DG121224,C(CC(=O)[O-])CO.[Na+],[Na+].OCCCC([O-])=O,"InChI=1S/C4H8O3.Na/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p-1",XYGBKMMCQDZQOZ-UHFFFAOYSA-M
BMGC_DG05661,BMG_DG121255,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C3=CC=C(C=C3)F.[Na+],,"InChI=1S/C24H26FNO4.Na/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30;/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30);/q;+1/p-1/b12-11+;/t18-,19-;/m1./s1",ZGGHKIMDNBDHJB-NRFPMOEYSA-M
BMGC_DG05662,BMG_DG121311,CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)[O-].[Na+],S(Nc1ccccc1C(=O)NCC([O-])=O)(c2ccc(cc2)OC(=O)C(C)(C)C)(=O)=O.[Na+],"InChI=1S/C20H22N2O7S.Na/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24;/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24);/q;+1/p-1",ZAIFANJZUGNYCK-UHFFFAOYSA-M
BMGC_DG05663,BMG_DG121353,C1CCC(CC1)NS(=O)(=O)[O-].[Na+],S(NC1CCCCC1)([O-])(=O)=O.[Na+],"InChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1",UDIPTWFVPPPURJ-UHFFFAOYSA-M
BMGC_DG05664,BMG_DG121365,[O-]Cl.[Na+],[O-]Cl.[Na+],InChI=1S/ClO.Na/c1-2;/q-1;+1,SUKJFIGYRHOWBL-UHFFFAOYSA-N
BMGC_DG05665,BMG_DG121368,OS(=O)[O-].[Na+],[O-]S(=O)O.[Na+],"InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1",DWAQJAXMDSEUJJ-UHFFFAOYSA-M
BMGC_DG05666,BMG_DG121373,CCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+],S([O-])(=O)(=O)OCCCCCCCCCCCCCC.[Na+],"InChI=1S/C14H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1",UPUIQOIQVMNQAP-UHFFFAOYSA-M
BMGC_DG05667,BMG_DG121375,CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+],S([O-])(OC(CC(C)C)CCC(CC)CCCC)(=O)=O.[Na+],"InChI=1S/C14H30O4S.Na/c1-5-7-8-13(6-2)9-10-14(11-12(3)4)18-19(15,16)17;/h12-14H,5-11H2,1-4H3,(H,15,16,17);/q;+1/p-1",FVEFRICMTUKAML-UHFFFAOYSA-M
BMGC_DG05668,BMG_DG121391,CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC(=C(C=C7)O)OS(=O)(=O)[O-])O)O)[C@@H](CC(=O)N)O)C)O)O)O.[Na+],N12[C@](C(N[C@@H]([C@@H](C[C@@H](C(N[C@]([C@H](O)C)([H])C(N3[C@](C(N[C@](C(N[C@](C1=O)([C@@H](CC(=O)N)O)[H])=O)([C@@H]([C@H](c4cc(OS([O-])(=O)=O)c(cc4)O)O)O)[H])=O)(C[C@@H](O)C3)[H])=O)=O)NC(c5ccc(-c6noc(c6)-c7ccc(cc7)OCCCCC)cc5)=O)O)O)=O)([C@@H](O)[C@H](C2)C)[H].[Na+],"InChI=1S/C56H71N9O23S.Na/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76;/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85);/q;+1/p-1/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+;/m0./s1",KOOAFHGJVIVFMZ-WZPXRXMFSA-M
BMGC_DG05669,BMG_DG121415,CC(C(=O)[O-])O.[Na+],C([O-])(=O)C(O)C.[Na+],"InChI=1S/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1",NGSFWBMYFKHRBD-UHFFFAOYSA-M
BMGC_DG05670,BMG_DG121424,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(C=CC(=O)C4)C,[H][C@]12[C@@](C)([C@H](CC1)O)CC[C@@]3([H])[C@@]2([H])CC[C@]4(CC(=O)C=C[C@]34C)[H],"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1",OKJCFMUGMSVJBG-ABEVXSGRSA-N
BMGC_DG05671,BMG_DG121441,CC[C@]1(CC[C@@H](O1)[C@@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)[O-])OC)C)O)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C.[Na+],,"InChI=1S/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-;/m0./s1",XOIQMTLWECTKJL-FBZUZRIGSA-M
BMGC_DG05672,BMG_DG121451,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)[O-])O)O.[Na+],C1(=C(C(=O)O[C@@]1([C@@H](O)CO)[H])O)[O-].[Na+],"InChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1",PPASLZSBLFJQEF-RXSVEWSESA-M
BMGC_DG05673,BMG_DG121462,CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+],N12[C@@](SC([C@@H]1C([O-])=O)(C)C)([H])[C@@H](C2=O)NC(c3c(noc3C)-c4ccccc4)=O.[Na+],"InChI=1S/C19H19N3O5S.Na/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);/q;+1/p-1/t13-,14+,17-;/m1./s1",VDUVBBMAXXHEQP-SLINCCQESA-M
BMGC_DG05674,BMG_DG121491,N(=O)[O-].[Na+],N([O-])=O.[Na+],"InChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1",LPXPTNMVRIOKMN-UHFFFAOYSA-M
BMGC_DG05675,BMG_DG121495,[O-]Cl=O.[Na+],Cl(=O)[O-].[Na+],"InChI=1S/ClHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1",UKLNMMHNWFDKNT-UHFFFAOYSA-M
BMGC_DG05676,BMG_DG121507,CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+],N(C(C)(C)c1nc(C(NCc2ccc(cc2)F)=O)c(c(n1C)=O)[O-])C(c3oc(nn3)C)=O.[K+],"InChI=1S/C20H21FN6O5.K/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11;/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30);/q;+1/p-1",IFUKBHBISRAZTF-UHFFFAOYSA-M
BMGC_DG05677,BMG_DG121602,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@@]3(F)[C@H](C1)O)(C=CC(=O)C4)C)[H])(C[C@H]([C@@]2(C(=O)COC(C)=O)O)C)[H])C,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",AKUJBENLRBOFTD-RPRRAYFGSA-N
BMGC_DG05678,BMG_DG121644,CC(C(=O)[O-])O.[K+],C([O-])(=O)C(O)C.[K+],"InChI=1S/C3H6O3.K/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1",PHZLMBHDXVLRIX-UHFFFAOYSA-M
BMGC_DG05679,BMG_DG121659,OP(=O)(O)[O-].[Na+],P([O-])(=O)(O)O.[Na+],"InChI=1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1",AJPJDKMHJJGVTQ-UHFFFAOYSA-M
BMGC_DG05680,BMG_DG121762,CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+],S(C(CC(=O)OCC(CC)CCCC)C(OCC(CC)CCCC)=O)([O-])(=O)=O.[Na+],"InChI=1S/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1",APSBXTVYXVQYAB-UHFFFAOYSA-M
BMGC_DG05681,BMG_DG121768,,n1cc(ccc1)S(N(Cc2cc(ccc2)OCC([O-])=O)Cc3ccc(cc3)C(C)(C)C)(=O)=O.[Na+],,SVNBMCJEDANCKY-UHFFFAOYSA-M
BMGC_DG05682,BMG_DG121798,C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)[O-])C(=O)O)[C@@H](C)O.[Na+],,"InChI=1S/C22H25N3O7S.Na/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30;/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32);/q;+1/p-1/t9-,10-,13+,14+,15-,16-;/m1./s1",ZXNAQFZBWUNWJM-HRXMHBOMSA-M
BMGC_DG05683,BMG_DG121839,C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].[Na+],,"InChI=1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1/p-1",WINXNKPZLFISPD-UHFFFAOYSA-M
BMGC_DG05684,BMG_DG121846,CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)[O-].[Na+],N12C(=O)[C@H]([C@]1(SCC(=C2C([O-])=O)CSc3sc(C)nn3)[H])NC(Cn4nnnc4)=O.[Na+],"InChI=1S/C14H14N8O4S3.Na/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);/q;+1/p-1/t9-,12-;/m1./s1",FLKYBGKDCCEQQM-WYUVZMMLSA-M
BMGC_DG05685,BMG_DG122045,,c1cc(cc(c1O)OC)S(=O)(=O)[O-].[K+],,QFRKWSPTCBGLSU-UHFFFAOYSA-M
BMGC_DG05686,BMG_DG122071,CNC(=NC)NCC1=CC=CC=C1,C(NC)(=NCc1ccccc1)NC,"InChI=1S/C10H15N3/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,11,12,13)",NIVZHWNOUVJHKV-UHFFFAOYSA-N
BMGC_DG05687,BMG_DG122075,,N(c1c(CC([O-])=O)cccc1)c2c(Br)cccc2Cl.[Na+],,CQEGIAAJWFDGJP-UHFFFAOYSA-M
BMGC_DG05688,BMG_DG122103,[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O.[K+],[C@@H]([C@H](C(=O)O)O)(C([O-])=O)O.[K+],"InChI=1S/C4H6O6.K/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+1/p-1/t1-,2-;/m1./s1",KYKNRZGSIGMXFH-ZVGUSBNCSA-M
BMGC_DG05689,BMG_DG122221,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N4CCNC4=O)C(=O)[O-])C.[Na+],N12[C@@](SC([C@@H]1C([O-])=O)(C)C)([H])[C@@H](C2=O)NC([C@H](NC(N3C(NCC3)=O)=O)c4ccccc4)=O.[Na+],"InChI=1S/C20H23N5O6S.Na/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30;/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1",UVOCNBWUHNCKJM-XFAPPKAWSA-M
BMGC_DG05690,BMG_DG122338,[O-][99Tc](=O)(=O)=O.[Na+],O=[99Tc]([O-])(=O)=O.[Na+],InChI=1S/Na.4O.Tc/q+1;;;;-1;/i;;;;;1+1,MKADDTFVKFMZGF-PUQAOBSFSA-N
BMGC_DG05691,BMG_DG122363,CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O,C1CC1COCCc2ccc(OCC(CNC(C)C)O)cc2,"InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3",NWIUTZDMDHAVTP-UHFFFAOYSA-N
BMGC_DG05692,BMG_DG122376,C1=CC=C(C(=C1)C(=O)[O-])S.[Na+],c1(C([O-])=O)c(S)cccc1.[Na+],"InChI=1S/C7H6O2S.Na/c8-7(9)5-3-1-2-4-6(5)10;/h1-4,10H,(H,8,9);/q;+1/p-1",HBAIZOJDXAXWHS-UHFFFAOYSA-M
BMGC_DG05693,BMG_DG122523,COC1=C(C=C(C=C1)CS(=O)(=O)/C=C/C2=C(C=C(C=C2OC)OC)OC)NCC(=O)[O-].[Na+],C(CNc1c(ccc(c1)CS(=O)(=O)/C=C/c2c(cc(cc2OC)OC)OC)OC)(=O)[O-].[Na+],"InChI=1S/C21H25NO8S.Na/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24;/h5-11,22H,12-13H2,1-4H3,(H,23,24);/q;+1/p-1/b8-7+;",VLQLUZFVFXYXQE-USRGLUTNSA-M
BMGC_DG05694,BMG_DG122570,CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC,c1(c2c(ccc(c2)OC)nc3c1ccc(Cl)c3)NC(CCCN(CC)CC)C,"InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)",GPKJTRJOBQGKQK-UHFFFAOYSA-N
BMGC_DG05695,BMG_DG122571,CC(C[N+](C)(C)C)OC(=O)N,C(OC(C[N+](C)(C)C)C)(=O)N,"InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1",NZUPCNDJBJXXRF-UHFFFAOYSA-O
BMGC_DG05696,BMG_DG122572,,,,
BMGC_DG05697,BMG_DG122654,,s1c2ccccc2cc1CN,,WKYFWFHTABURGB-UHFFFAOYSA-N
BMGC_DG05698,BMG_DG122685,C[C@H](C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C.[Na+],,"InChI=1S/C11H12F3NO6S2.Na/c1-7(10(16)15-22(2,17)18)8-3-5-9(6-4-8)21-23(19,20)11(12,13)14;/h3-7H,1-2H3,(H,15,16);/q;+1/p-1/t7-;/m1./s1",QICAUCDBOAKDNS-OGFXRTJISA-M
BMGC_DG05699,BMG_DG122745,C1C(C(C(C1O)/C=C/C(COC2=CC(=CC=C2)Cl)O)C/C=C\CCCC(=O)[O-])O.[Na+],,"InChI=1S/C22H29ClO6.Na/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28;/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28);/q;+1/p-1/b3-1-,11-10+;",IFEJLMHZNQJGQU-SZXUFNIVSA-M
BMGC_DG05700,BMG_DG122777,CC1=CC(=CC=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O,c1c(C)cccc1OCC(O)CNCCc2cc(OC)c(OC)cc2,"InChI=1S/C20H27NO4/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3",HXLAFSUPPDYFEO-UHFFFAOYSA-N
BMGC_DG05701,BMG_DG122804,C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H](C(O2)N3C=CC(=O)NC3=O)O)O)O)O)O,,"InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12?,13-/m1/s1",DQQDLYVHOTZLOR-WJCCNOJNSA-N
BMGC_DG05702,BMG_DG122812,C[C@@H]1CCC2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC,,"InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41?,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1",CBPNZQVSJQDFBE-HGVVHKDOSA-N
BMGC_DG05703,BMG_DG122821,C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C,,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18,20-22,24-26,29H,3,7-9,11-17H2,1-2,4-6H3/t20-,21+,22+,24-,25+,26?,27+,28-/m1/s1",BTCAEOLDEYPGGE-LPWCLQGBSA-N
BMGC_DG05704,BMG_DG122867,,,,
BMGC_DG05705,BMG_DG122891,CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)NC(C7=C(C(=CC(=C7)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]1C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N[C@H](CC2=CC=C(O3)C=C2)C(=O)N1)NC)O)O)Cl)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O,,"InChI=1S/C88H100Cl2N10O28/c1-38(2)13-10-8-6-7-9-11-14-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)69-85(119)98-67(80(114)92-25-12-26-100(4)5)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)64(91-3)81(115)93-51(79(113)97-68)27-39-15-20-45(122-58)21-16-39/h15-24,28-36,38,51,60,64-76,78,87-88,91,101-105,107-112H,6-14,25-27,37H2,1-5H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121)/t51-,60-,64-,65-,66-,67?,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+/m1/s1",KGPGQDLTDHGEGT-VBZOGQDBSA-N
BMGC_DG05706,BMG_DG122914,C1=CC(=C(C=C1OC2=C(C=C(C=C2[131I])C[C@@H](C(=O)O)N)[131I])[131I])O,c1(c([131I])cc(cc1[131I])C[C@@H](C(=O)O)N)Oc2cc([131I])c(cc2)O,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1/i16+4,17+4,18+4",AUYYCJSJGJYCDS-UMVFHIKJSA-N
BMGC_DG05707,BMG_DG122935,,c12c(c(c(OC)cc1C(O)=O)C)OC(=O)c3c(O2)c(c(O)cc3C)C=O,,FUCWJKJZOHOLEO-UHFFFAOYSA-N
BMGC_DG05708,BMG_DG122984,,O=S(c1ccc(-c2ccc(C#N)cc2)cc1)(=O)Nc3cccc(N)n3,,ZESFDAKNYJQYKO-UHFFFAOYSA-N
BMGC_DG05709,BMG_DG122987,,OP(O)(=O)OP(=O)(OP(O)(OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)F)n2ccc([nH]c2=O)=O)=O)O,,IPHULAIUXUVCHH-VPCXQMTMSA-N
BMGC_DG05710,BMG_DG122994,C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F,c1cc2c([nH]nc(c2cc1)Cc3cc(c(cc3)F)C(N4CCN(CC4)C(C5CC5)=O)=O)=O,"InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)",FDLYAMZZIXQODN-UHFFFAOYSA-N
BMGC_DG05711,BMG_DG122995,,Clc1cc(cnc1Nc2cnc(cc2)C)C(=O)N3[C@@H](CCCC3)CC,,QABUURICQJOWID-MRXNPFEDSA-N
BMGC_DG05712,BMG_DG123003,CNC(=O)[C@@H](C1=CC=CC=C1)N2CCC3=CC(=C(C=C3[C@@H]2CCC4=CC=C(C=C4)C(F)(F)F)OC)OC,c1c(c(cc2c1[C@@H](N(CC2)[C@H](c3ccccc3)C(=O)NC)CCc4ccc(cc4)C(F)(F)F)OC)OC,"InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1",DKMACHNQISHMDN-RPLLCQBOSA-N
BMGC_DG05713,BMG_DG123004,,COc1ccnc2[nH]cc(-c3ccnc(N)n3)c12,,GGEWEQJWGGJUHO-UHFFFAOYSA-N
BMGC_DG05714,BMG_DG123005,,CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12,,ZHMRPXZRUZLCNL-UHFFFAOYSA-N
BMGC_DG05715,BMG_DG123007,,C([C@]12c3ccccc3N(OC)[C@]14NC(=O)/C(=C\c5[nH]cnc5)/N4C(=O)C(O)=C2)(C)(C)C=C,,JTJJJLSLKZFEPJ-ZAYCRUKZSA-N
BMGC_DG05716,BMG_DG123008,,,,
BMGC_DG05717,BMG_DG123009,,FC(F)(F)c1cc(N2C(=C([C@H](NC2=O)c3ccc(nc3)C#N)C(=O)C)C)ccc1,,PGIVGIFOWOVINL-GOSISDBHSA-N
BMGC_DG05718,BMG_DG123011,CC(C)OC(=O)COC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CN=CC=C4,C(=O)(OC(C)C)COc1cc(ccc1)CN(Cc2ccc(cc2)-n3nccc3)S(=O)(=O)c4cnccc4,"InChI=1S/C27H28N4O5S/c1-21(2)36-27(32)20-35-25-7-3-6-23(16-25)19-30(37(33,34)26-8-4-13-28-17-26)18-22-9-11-24(12-10-22)31-15-5-14-29-31/h3-17,21H,18-20H2,1-2H3",NVPXUFQLKWKBHK-UHFFFAOYSA-N
BMGC_DG05719,BMG_DG123012,,,,
BMGC_DG05720,BMG_DG123013,CCC(CC)N1C2=NC(=CN=C2NC1=O)C#C,C(CC)(CC)n1c2c([nH]c1=O)ncc(n2)C#C,"InChI=1S/C12H14N4O/c1-4-8-7-13-10-11(14-8)16(12(17)15-10)9(5-2)6-3/h1,7,9H,5-6H2,2-3H3,(H,13,15,17)",RSQGZEAXODVTOL-UHFFFAOYSA-N
BMGC_DG05721,BMG_DG123015,,c1(nc2c([nH]1)cc(c(c2)Cl)Cl)C(O)(C(F)(F)F)C=C,,HEDZSNUSVHSSQI-UHFFFAOYSA-N
BMGC_DG05722,BMG_DG123020,C1=C(OC(=C1)C=O)CO,c1(oc(CO)cc1)C=O,"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",NOEGNKMFWQHSLB-UHFFFAOYSA-N
BMGC_DG05723,BMG_DG123024,CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)C)O,C(c1c(cc(C(C)(C)C)c(c1)O)O)(C)(C)C,"InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3",JZODKRWQWUWGCD-UHFFFAOYSA-N
BMGC_DG05724,BMG_DG123034,CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O,S(CC(C(Nc1cc(C(F)(F)F)c(C#N)cc1)=O)(O)C)(c2ccc(cc2)F)(=O)=O,"InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)",LKJPYSCBVHEWIU-UHFFFAOYSA-N
BMGC_DG05725,BMG_DG123039,,c1-2c(cc(=O)c(cc1)OC)[C@@H](NC(=O)C)CCc3c2c(c(O)c(c3)OC)OC,,DPOVAJCRYIUTBD-HNNXBMFYSA-N
BMGC_DG05726,BMG_DG123052,CNCCCCOC1=CC=CC=C1CC2=CC=CC=C2,c1cc(Cc2c(cccc2)OCCCCNC)ccc1,"InChI=1S/C18H23NO/c1-19-13-7-8-14-20-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-6,9-12,19H,7-8,13-15H2,1H3",QSQQPMHPCBLLGX-UHFFFAOYSA-N
BMGC_DG05727,BMG_DG123059,C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)N4C=CN=C4,n1(cncc1)C(c2ccc(cc2)-c3ccccc3)c4ccccc4,"InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H",OCAPBUJLXMYKEJ-UHFFFAOYSA-N
BMGC_DG05728,BMG_DG123077,C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O,C1C(C(CCN2CCCCC2)(c3ccccc3)O)C4CC1C=C4,"InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2",YSXKPIUOCJLQIE-UHFFFAOYSA-N
BMGC_DG05729,BMG_DG123095,,c1ccc(CCN2CCCC2)nc1,,OXEFHEYEQUISKC-UHFFFAOYSA-N
BMGC_DG05730,BMG_DG123105,CC(C)NCC(C1=CC=C(C=C1)O)O,c1(ccc(cc1)O)C(CNC(C)C)O,"InChI=1S/C11H17NO2/c1-8(2)12-7-11(14)9-3-5-10(13)6-4-9/h3-6,8,11-14H,7H2,1-2H3",MPCPSVWSWKWJLO-UHFFFAOYSA-N
BMGC_DG05731,BMG_DG123106,,c1cc(CCN2CCCC2)ccn1,,GNJYGFKCUMGKOY-UHFFFAOYSA-N
BMGC_DG05732,BMG_DG123108,,Oc1c(c2c(c(=O)c(CC=C(C)C)c(o2)-c3c(O)cc(O)cc3)c(O)c1)[C@H]4[C@H](C(=O)c5c(O)c(CC=C(C)C)c(O)cc5)[C@H](CC(C)=C4)c6c(O)cc(O)cc6,,DKBPTKFKCCNXNH-JMBMPLIVSA-N
BMGC_DG05733,BMG_DG123110,,NC(C)Cc1c(cc(c(c1)OC)F)OC,,NRANUECGGQVXOT-UHFFFAOYSA-N
BMGC_DG05734,BMG_DG123115,,O=C(NCCCc1ccccc1)C(c2ccccc2)c3ccccc3,,GGASESVHBWYDKY-UHFFFAOYSA-N
BMGC_DG05735,BMG_DG123118,,O=C(O)c1ccc(C(=O)C(=O)c2ccccc2)cc1,,MWJHDSAAGSURCA-UHFFFAOYSA-N
BMGC_DG05736,BMG_DG123142,C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3,,"InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2",URFCJEUYXNAHFI-UHFFFAOYSA-N
BMGC_DG05737,BMG_DG123158,CC(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+],[Na+].OP(C(C)(O)P(=O)([O-])O)(=O)[O-].[Na+],"InChI=1S/C2H8O7P2.2Na/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2",GWBBVOVXJZATQQ-UHFFFAOYSA-L
BMGC_DG05738,BMG_DG123164,CCC1=C(NC2=C1C(=O)C(CC2)CN3CCOCC3)C,c12c([nH]c(c1CC)C)CCC(C2=O)CN3CCOCC3,"InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3",KLPWJLBORRMFGK-UHFFFAOYSA-N
BMGC_DG05739,BMG_DG123167,C(CN)C(=O)O,C(CN)C(=O)O,"InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)",UCMIRNVEIXFBKS-UHFFFAOYSA-N
BMGC_DG05740,BMG_DG123175,,c1(C=C(C#N)C#N)cccnc1,,JMPHHFYSCUHMAL-UHFFFAOYSA-N
BMGC_DG05741,BMG_DG123179,CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3,C(c1ccc(OC(=O)C)cc1)(c2ccc(OC(=O)C)cc2)c3ncccc3,"InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3",KHOITXIGCFIULA-UHFFFAOYSA-N
BMGC_DG05742,BMG_DG123190,[Fe],[Fe],InChI=1S/Fe,XEEYBQQBJWHFJM-UHFFFAOYSA-N
BMGC_DG05743,BMG_DG123191,[La],[La],InChI=1S/La,FZLIPJUXYLNCLC-UHFFFAOYSA-N
BMGC_DG05744,BMG_DG123197,[Mn],[Mn],InChI=1S/Mn,PWHULOQIROXLJO-UHFFFAOYSA-N
BMGC_DG05745,BMG_DG123200,[Hg],[Hg],InChI=1S/Hg,QSHDDOUJBYECFT-UHFFFAOYSA-N
BMGC_DG05746,BMG_DG123210,[Pt],[Pt],InChI=1S/Pt,BASFCYQUMIYNBI-UHFFFAOYSA-N
BMGC_DG05747,BMG_DG123223,[Sm],[Sm],InChI=1S/Sm,KZUNJOHGWZRPMI-UHFFFAOYSA-N
BMGC_DG05748,BMG_DG123225,,c1csc(c1)C(=O)NO,,XNSXTZGRPNUMTQ-UHFFFAOYSA-N
BMGC_DG05749,BMG_DG123226,,O=C(NO)C(c1ccccc1)c2ccccc2,,OFSBBVCLWMCGNY-UHFFFAOYSA-N
BMGC_DG05750,BMG_DG123229,[Ag],[Ag],InChI=1S/Ag,BQCADISMDOOEFD-UHFFFAOYSA-N
BMGC_DG05751,BMG_DG123233,[Tc],,InChI=1S/Tc,GKLVYJBZJHMRIY-UHFFFAOYSA-N
BMGC_DG05752,BMG_DG123237,,[C@]12(C(=CC(CC1)=O)CC[C@]3([C@@]4(CCC([C@]4(CC=C23)C)=O)[H])[H])C,,HJTUINCBGMVXOB-LNMJFAINSA-N
BMGC_DG05753,BMG_DG123238,CN(C)CCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54,[nH]1cc(C=2C(NC(C2c3c4c(n(c3)CCCN(C)C)cccc4)=O)=O)c5c1cccc5,"InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)",QMGUOJYZJKLOLH-UHFFFAOYSA-N
BMGC_DG05754,BMG_DG123250,[Cd],[Cd],InChI=1S/Cd,BDOSMKKIYDKNTQ-UHFFFAOYSA-N
BMGC_DG05755,BMG_DG123253,[Cr],[Cr],InChI=1S/Cr,VYZAMTAEIAYCRO-UHFFFAOYSA-N
BMGC_DG05756,BMG_DG123254,[Cu],[Cu],InChI=1S/Cu,RYGMFSIKBFXOCR-UHFFFAOYSA-N
BMGC_DG05757,BMG_DG123257,,,,
BMGC_DG05758,BMG_DG123263,[Gd],[Gd],InChI=1S/Gd,UIWYJDYFSGRHKR-UHFFFAOYSA-N
BMGC_DG05759,BMG_DG123266,,c1(c(cc(Br)c(c1)OC)OC)C[C@H](C)N,,FXMWUTGUCAKGQL-ZETCQYMHSA-N
BMGC_DG05760,BMG_DG123267,CC(CC1=CC(=C(C=C1OC)C(=O)C)OC)N,,"InChI=1S/C13H19NO3/c1-8(14)5-10-6-13(17-4)11(9(2)15)7-12(10)16-3/h6-8H,5,14H2,1-4H3",NWWLLPGDGZOZAT-UHFFFAOYSA-N
BMGC_DG05761,BMG_DG123272,[He],[He],InChI=1S/He,SWQJXJOGLNCZEY-UHFFFAOYSA-N
BMGC_DG05762,BMG_DG123275,,C1(=C(c2c3c(cccc3)[nH]c2)C(=O)NC1=O)c4c5c(cccc5)[nH]c4,,DQYBRTASHMYDJG-UHFFFAOYSA-N
BMGC_DG05763,BMG_DG123277,[Xe],[Xe],InChI=1S/Xe,FHNFHKCVQCLJFQ-UHFFFAOYSA-N
BMGC_DG05764,BMG_DG123280,[Y],[Y],InChI=1S/Y,VWQVUPCCIRVNHF-UHFFFAOYSA-N
BMGC_DG05765,BMG_DG123281,[Zn],[Zn],InChI=1S/Zn,HCHKCACWOHOZIP-UHFFFAOYSA-N
BMGC_DG05766,BMG_DG123287,C1=CC=C(C=C1)C=O,c1ccc(cc1)C=O,InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H,HUMNYLRZRPPJDN-UHFFFAOYSA-N
BMGC_DG05767,BMG_DG123298,S=[Se],,InChI=1S/SSe/c1-2,VIDTVPHHDGRGAF-UHFFFAOYSA-N
BMGC_DG05768,BMG_DG123302,[Al](Cl)(Cl)Cl,[Al+3].[Cl-].[Cl-].[Cl-],InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3,VSCWAEJMTAWNJL-UHFFFAOYSA-K
BMGC_DG05769,BMG_DG123305,Cl[Cu]Cl,[Cu+2].[Cl-].[Cl-],InChI=1S/2ClH.Cu/h2*1H;/q;;+2/p-2,ORTQZVOHEJQUHG-UHFFFAOYSA-L
BMGC_DG05770,BMG_DG123314,CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCN,C=1(c2c3c(cccc3)n(c2)C)C(NC(=O)C1c4c5c(n(c4)CCCN)cccc5)=O,"InChI=1S/C24H22N4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30)",UQHKJRCFSLMWIA-UHFFFAOYSA-N
BMGC_DG05771,BMG_DG123332,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O,N(CC(COc1ccc(cc1)COCCOC(C)C)O)C(C)C,"InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3",VHYCDWMUTMEGQY-UHFFFAOYSA-N
BMGC_DG05772,BMG_DG123334,,c1(c(cccc1)OC)C(NN)=O,,QMGXWNSSMGAHCA-UHFFFAOYSA-N
BMGC_DG05773,BMG_DG123343,,c12c(nc(s1)N)c(ccc2)O,,PFQJPSASUCHKRO-UHFFFAOYSA-N
BMGC_DG05774,BMG_DG123346,C1=C(C=C(C(=C1SC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl,c1(Sc2c(c(Cl)cc(c2)Cl)O)c(c(Cl)cc(c1)Cl)O,"InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H",JFIOVJDNOJYLKP-UHFFFAOYSA-N
BMGC_DG05775,BMG_DG123349,C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N,n1(c(nc(cc1)N)=O)[C@@H]2O[C@H](CO)CC2,"InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1",WREGKURFCTUGRC-POYBYMJQSA-N
BMGC_DG05776,BMG_DG123353,,C([C@H](C)N)c1c(OC)cc(CC)c(OC)c1,,HXJKWPGVENNMCC-VIFPVBQESA-N
BMGC_DG05777,BMG_DG123359,C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)OC(=O)C,[C@]12([C@@]3([C@@]([C@@]4(CC[C@]([C@]4(C[C@@H]3O)C)(OC(=O)C)C(=O)C)[H])([H])C[C@@H](C1=CC(C=C2)=O)C)F)C,"InChI=1S/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27)22(17,5)12-20(29)24(19,25)21(4)8-6-16(28)11-18(13)21/h6,8,11,13,17,19-20,29H,7,9-10,12H2,1-5H3/t13-,17-,19-,20-,21-,22-,23-,24-/m0/s1",YRFXGQHBPBMFHW-SBTZIJSASA-N
BMGC_DG05778,BMG_DG123363,[O-]S(=O)(=O)[O-].[Mg+2],S([O-])([O-])(=O)=O.[Mg+2],"InChI=1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",CSNNHWWHGAXBCP-UHFFFAOYSA-L
BMGC_DG05779,BMG_DG123366,S=[Se]=S,[Se](=S)=S,InChI=1S/S2Se/c1-3-2,JNMWHTHYDQTDQZ-UHFFFAOYSA-N
BMGC_DG05780,BMG_DG123373,,C(c1c(O)c(Cl)c(C)c(C=O)c1O)/C=C(\C)/CC[C@]2([C@H](C)CCC(=O)[C@@H]2C)C,,IJEHYEVNWOYGMS-WGUBEYSISA-N
BMGC_DG05781,BMG_DG123383,C1=CC=CC=C1,c1ccccc1,InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,UHOVQNZJYSORNB-UHFFFAOYSA-N
BMGC_DG05782,BMG_DG123401,C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)[N+](=O)[O-],c12c(c3c(cccc3)c(c1)[N+]([O-])=O)ccc4c2cccc4,InChI=1S/C18H11NO2/c20-19(21)18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,UAWLTQJFZUYROA-UHFFFAOYSA-N
BMGC_DG05783,BMG_DG123402,,Cc1cc(Cc2cc(C)c(c(c2)CO)O)cc(CO)c1O,,DOMBBFBDIIXIKP-UHFFFAOYSA-N
BMGC_DG05784,BMG_DG123414,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,[C@H]1([C@H]([C@@H]([C@@H](CO)O[C@H]1O)O)O)NC(=O)C,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1",OVRNDRQMDRJTHS-FMDGEEDCSA-N
BMGC_DG05785,BMG_DG123417,CCCCCCC1=C(C=C(C=C1)O)O.C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N,c1(c2c(cccc2)nc3c1cccc3)N.c1(cc(O)ccc1CCCCCC)O,"InChI=1S/C13H10N2.C12H18O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h1-8H,(H2,14,15);7-9,13-14H,2-6H2,1H3",YZODJQFXMFEJRM-UHFFFAOYSA-N
BMGC_DG05786,BMG_DG123427,,C1(C=C[C@@]2([C@]3([C@@H](C[C@@]4([C@H](CC[C@]4([C@@]3(CCC2=C1)[H])[H])O)C)O)[H])C)=O,,XBDIPICFPCBNBB-RUOITVIXSA-N
BMGC_DG05787,BMG_DG123445,,,,
BMGC_DG05788,BMG_DG123447,,,,
BMGC_DG05789,BMG_DG123448,,,,
BMGC_DG05790,BMG_DG123449,,,,
BMGC_DG05791,BMG_DG123454,,COc1cc(cc(c1OC)OC)C(=O)Nc2ccccc2-c3cn4c(csc4n3)CN5CCNCC5,,SBEWVVLMFLTQFE-UHFFFAOYSA-N
BMGC_DG05792,BMG_DG123455,,C1NCCN(C1)Cc2csc3n2cc(n3)-c4ccccc4NC(c5cnc6c(n5)cccc6)=O,,IASPBORHOMBZMY-UHFFFAOYSA-N
BMGC_DG05793,BMG_DG123456,,c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3-c4cn5c(csc5n4)CN6CC[C@H](C6)O,,MUFSINOSQBMSLE-JOCHJYFZSA-N
BMGC_DG05794,BMG_DG123457,,,,
BMGC_DG05795,BMG_DG123464,,,,
BMGC_DG05796,BMG_DG123465,,C(=O)(c1oc(cc1)C#Cc2ccccc2)N3CCC4(COc5c4cc(cc5)CN)CC3,,YKTUSHSSKIWDRY-UHFFFAOYSA-N
BMGC_DG05797,BMG_DG123466,,,,
BMGC_DG05798,BMG_DG123467,,C(CC)S(=O)(=O)Nc1c(c(c(cc1)F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F,,YZDJQTHVDDOVHR-UHFFFAOYSA-N
BMGC_DG05799,BMG_DG123468,,,,
BMGC_DG05800,BMG_DG123469,,c1ccc(Nc2c[nH]c3ncccc23)cc1,,CQFGXDQUQWRXLE-UHFFFAOYSA-N
BMGC_DG05801,BMG_DG123470,,,,
BMGC_DG05802,BMG_DG123478,C1=CC=C2C(=C1)C(=O)NS2(=O)=O.[Na],,"InChI=1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);",IDIPRSBHIGCTDN-UHFFFAOYSA-N
BMGC_DG05803,BMG_DG123513,COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)CC4(CCCC4)CC3=O,C12(CC(N(CCN3CCN(c4c(cccc4)OC)CC3)C(C1)=O)=O)CCCC2,"InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3",AYYCFGDXLUPJAQ-UHFFFAOYSA-N
BMGC_DG05804,BMG_DG123515,CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O,,"InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1",KDQAABAKXDWYSZ-JKDPCDLQSA-N
BMGC_DG05805,BMG_DG123516,CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O,,"InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1",JXLYSJRDGCGARV-XQKSVPLYSA-N
BMGC_DG05806,BMG_DG123573,C[N+]1(CCN(CC1)CC(C2CCCCC2)(C3=CC=CC=C3)O)C,C(CN1CC[N+](CC1)(C)C)(c2ccccc2)(C3CCCCC3)O,"InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1",ZRYHPQCHHOKSMD-UHFFFAOYSA-N
BMGC_DG05807,BMG_DG123575,CCP(CC)CC.CC(=O)OCC1C(C(C(C(O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+],,"InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1",AUJRCFUBUPVWSZ-UHFFFAOYSA-M
BMGC_DG05808,BMG_DG123585,C1=CC=C(C=C1)C(=O)[O-],,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1",WPYMKLBDIGXBTP-UHFFFAOYSA-M
BMGC_DG05809,BMG_DG123598,C[C@]12[C@H]([C@H](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC,,"InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m0/s1",BMGQWWVMWDBQGC-PZFYLCKJSA-N
BMGC_DG05810,BMG_DG123601,OP(=O)([O-])[O-].[Na+].[Na+],[O-]P(O)([O-])=O.[Na+].[Na+],"InChI=1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2",BNIILDVGGAEEIG-UHFFFAOYSA-L
BMGC_DG05811,BMG_DG123608,,COc1ccc2c(c1)C(=O)CC(c3ccccc3OC)O2,,NJGRSFDTFXJJSG-UHFFFAOYSA-N
BMGC_DG05812,BMG_DG123649,C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O,[C@]12([C@@]3([C@]([C@@]4(CC[C@@H]([C@]4(CC3)C)O)[H])(CC[C@]1(C[C@H](CC2)O)[H])[H])[H])C,"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1",CBMYJHIOYJEBSB-YSZCXEEOSA-N
BMGC_DG05813,BMG_DG123658,,,,
BMGC_DG05814,BMG_DG123664,[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+],[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+],"InChI=1S/3Na.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3",RYFMWSXOAZQYPI-UHFFFAOYSA-K
BMGC_DG05815,BMG_DG123666,C[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C.[I-].[I-],[C@@H]12c3c(c(OC)c(cc3CC[N+]1(C)C)OC)Oc4ccc(C[C@H]5c6cc(Oc7cc(C2)ccc7OC)c(cc6CC[N+]5(C)C)OC)cc4.[I-].[I-],"InChI=1S/C40H48N2O6.2HI/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36;;/h9-14,21-24,31-32H,15-20H2,1-8H3;2*1H/q+2;;/p-2/t31-,32+;;/m0../s1",DIGFQJFCDPKEPF-OIUSMDOTSA-L
BMGC_DG05816,BMG_DG123677,C(CCCCN)CCCN,NCCCCCCCCN,InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2,PWGJDPKCLMLPJW-UHFFFAOYSA-N
BMGC_DG05817,BMG_DG123690,,Nc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N,,ADXSZLCTQCWMTE-UHFFFAOYSA-N
BMGC_DG05818,BMG_DG123691,O=[Si]=O,[Si](=O)=O,InChI=1S/O2Si/c1-3-2,VYPSYNLAJGMNEJ-UHFFFAOYSA-N
BMGC_DG05819,BMG_DG123694,[O-]P(=O)([O-])F.[Na+].[Na+],P([O-])([O-])(=O)F.[Na+].[Na+],"InChI=1S/FH2O3P.2Na/c1-5(2,3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",BFDWBSRJQZPEEB-UHFFFAOYSA-L
BMGC_DG05820,BMG_DG123697,CN1C=NC2=C1C=C3C(=C2)C(=NC=N3)NC4=CC(=CC=C4)Br,,"InChI=1S/C16H12BrN5/c1-22-9-20-14-6-12-13(7-15(14)22)18-8-19-16(12)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,19,21)",YAMAGACQNDAKFB-UHFFFAOYSA-N
BMGC_DG05821,BMG_DG123705,,,,
BMGC_DG05822,BMG_DG123714,,CC1(C)N=C(N)N=C(N)N1OCCCOc2ccc(Br)cc2,,MPXYCOHVHSXSDC-UHFFFAOYSA-N
BMGC_DG05823,BMG_DG123725,C1=CC=C(C=C1)C(=O)O,C(O)(=O)c1ccccc1,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",WPYMKLBDIGXBTP-UHFFFAOYSA-N
BMGC_DG05824,BMG_DG123731,CC[N+](C)(C)CC1=CC=CC=C1Br,c1(C[N+](CC)(C)C)c(Br)cccc1,"InChI=1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1",AAQOQKQBGPPFNS-UHFFFAOYSA-N
BMGC_DG05825,BMG_DG123738,,,,
BMGC_DG05826,BMG_DG123745,,c1(C(Nc2ccc(cc2)Cl)=O)c(ccc(c1)Cl)O,,PVWWOFBIYKSBEX-UHFFFAOYSA-N
BMGC_DG05827,BMG_DG123757,C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br,c1(c2nccnc2ccc1NC3=NCCN3)Br,"InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)",XYLJNLCSTIOKRM-UHFFFAOYSA-N
BMGC_DG05828,BMG_DG123760,,N1(c2c(ccc(c2)C(=O)CC)Sc3c1cccc3)CCCN(C)C,,ZQTVCQIJTREKSP-UHFFFAOYSA-N
BMGC_DG05829,BMG_DG123761,,c1c(Br)c(O)c(Br)cc1-c2ccccc2,,SKQRVOXIIAXXEM-UHFFFAOYSA-N
BMGC_DG05830,BMG_DG123766,CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O,n12c(-c3nc4ccccc4cc3C1)cc5c(c2=O)COC(=O)[C@]5(O)CC,"InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1",VSJKWCGYPAHWDS-FQEVSTJZSA-N
BMGC_DG05831,BMG_DG123776,CC(CC1=CC=C(C=C1)OCC(=O)O)NCC(C2=CC(=CC=C2)Cl)O,,"InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)",ZGGNJJJYUVRADP-UHFFFAOYSA-N
BMGC_DG05832,BMG_DG123781,,c12c(C(=O)[C@@]3([C@](O1)(COc4c3cc(OC)c(c4)OC)[H])[H])ccc5c2C[C@@H](O5)C(C)C,,DTFARBHXORYQBF-HBGVWJBISA-N
BMGC_DG05833,BMG_DG123803,[O-]S(=O)(=O)[O-].[Fe+2],S([O-])([O-])(=O)=O.[Fe+2],"InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",BAUYGSIQEAFULO-UHFFFAOYSA-L
BMGC_DG05834,BMG_DG123809,C1=CC=C(C=C1)CO,c1ccc(cc1)CO,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",WVDDGKGOMKODPV-UHFFFAOYSA-N
BMGC_DG05835,BMG_DG123813,[O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+],O(P([O-])([O-])=O)P([O-])([O-])=O.[Na+].[Na+].[Na+].[Na+],"InChI=1S/4Na.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4",FQENQNTWSFEDLI-UHFFFAOYSA-J
BMGC_DG05836,BMG_DG123816,CC(=CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C,[C@@H]1([C@H](O)[C@H](O)[C@@H](CO)O1)n2c3c(c(ncn3)NCC=C(C)C)nc2,"InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1",USVMJSALORZVDV-SDBHATRESA-N
BMGC_DG05837,BMG_DG123819,C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3,c12C(=NCC(Nc1ccc(c2)Br)=O)c3ncccc3,"InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)",VMIYHDSEFNYJSL-UHFFFAOYSA-N
BMGC_DG05838,BMG_DG123824,[O-]S(=O)(=O)[O-].[Ba+2],S([O-])([O-])(=O)=O.[Ba+2],"InChI=1S/Ba.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",TZCXTZWJZNENPQ-UHFFFAOYSA-L
BMGC_DG05839,BMG_DG123826,CCNCC(=O)NC1=C(C=CC=C1C)C,c1(c(cccc1C)C)NC(CNCC)=O,"InChI=1S/C12H18N2O/c1-4-13-8-11(15)14-12-9(2)6-5-7-10(12)3/h5-7,13H,4,8H2,1-3H3,(H,14,15)",WRMRXPASUROZGT-UHFFFAOYSA-N
BMGC_DG05840,BMG_DG123829,,C([C@@H](N)CSC)(=O)O,,IDIDJDIHTAOVLG-VKHMYHEASA-N
BMGC_DG05841,BMG_DG123834,CN(CC1=C(C(=CC(=C1)Br)Br)N)C2CCCCC2,c1(c(c(Br)cc(c1)Br)N)CN(C2CCCCC2)C,"InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3",OJGDCBLYJGHCIH-UHFFFAOYSA-N
BMGC_DG05842,BMG_DG123836,[O-]S(=O)(=O)[O-].[Zn+2],S([O-])([O-])(=O)=O.[Zn+2],"InChI=1S/H2O4S.Zn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",NWONKYPBYAMBJT-UHFFFAOYSA-L
BMGC_DG05843,BMG_DG123840,[N+](=O)([O-])[O-].[K+],[N+]([O-])([O-])=O.[K+],InChI=1S/K.NO3/c;2-1(3)4/q+1;-1,FGIUAXJPYTZDNR-UHFFFAOYSA-N
BMGC_DG05844,BMG_DG123844,[O-]S(=O)(=O)[O-].[Na+].[Na+],[O-]S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",PMZURENOXWZQFD-UHFFFAOYSA-L
BMGC_DG05845,BMG_DG123849,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Mg+2].[Mg+2].[Mg+2],[Mg+2].[O-]P([O-])([O-])=O.[Mg+2].[Mg+2].[O-]P([O-])([O-])=O,"InChI=1S/3Mg.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6",GVALZJMUIHGIMD-UHFFFAOYSA-H
BMGC_DG05846,BMG_DG123850,CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Br,C(c1ccc(cc1)Br)(c2ccccc2)OCCN(C)C,"InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3",NUNIWXHYABYXKF-UHFFFAOYSA-N
BMGC_DG05847,BMG_DG123856,OP(=O)([O-])[O-].[K+].[K+],[O-]P(O)([O-])=O.[K+].[K+],"InChI=1S/2K.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2",ZPWVASYFFYYZEW-UHFFFAOYSA-L
BMGC_DG05848,BMG_DG123865,[O-]P(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+],O(P(OP([O-])(=O)[O-])(=O)[O-])P([O-])(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+],"InChI=1S/5Na.H5O10P3/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q5*+1;/p-5",HWGNBUXHKFFFIH-UHFFFAOYSA-I
BMGC_DG05849,BMG_DG123866,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2],[O-]P(=O)([O-])[O-].[Ca+2].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2],"InChI=1S/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6",QORWJWZARLRLPR-UHFFFAOYSA-H
BMGC_DG05850,BMG_DG123872,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Br,c1(c(cc(N)c(c1)Br)OC)C(NCCN(CC)CC)=O,"InChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)",GIYAQDDTCWHPPL-UHFFFAOYSA-N
BMGC_DG05851,BMG_DG123874,[O-][Cr](=O)(=O)[O-],[Cr]([O-])([O-])(=O)=O,InChI=1S/Cr.4O/q;;;2*-1,ZCDOYSPFYFSLEW-UHFFFAOYSA-N
BMGC_DG05852,BMG_DG123875,[O-]S(=O)(=O)[O-].[Cu+2],S([O-])([O-])(=O)=O.[Cu+2],"InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",ARUVKPQLZAKDPS-UHFFFAOYSA-L
BMGC_DG05853,BMG_DG123879,[O-][W](=O)(=O)[O-],[W](=O)(=O)([O-])[O-],InChI=1S/4O.W/q;;2*-1;,PBYZMCDFOULPGH-UHFFFAOYSA-N
BMGC_DG05854,BMG_DG123881,CC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)Cl,n1c(c(-c2cc(Cl)c(cc2)Cl)c(nc1N)C)N,"InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)",VQJHOPSWBGJHQS-UHFFFAOYSA-N
BMGC_DG05855,BMG_DG123882,CC(C)C(C(=O)NC(=O)N)Br,N(C(C(Br)C(C)C)=O)C(=O)N,"InChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)",CMCCHHWTTBEZNM-UHFFFAOYSA-N
BMGC_DG05856,BMG_DG123888,,CC(C)(C)NC[C@@H](CON=C1c2ccccc2-c3ccccc31)O,,DSKDPDQUXBBVRD-AWEZNQCLSA-N
BMGC_DG05857,BMG_DG123889,,CC(C)(C)NC[C@H](CON=C1c2ccccc2-c3ccccc31)O,,DSKDPDQUXBBVRD-CQSZACIVSA-N
BMGC_DG05858,BMG_DG123891,[O-]S(=O)(=S)[O-].[Na+].[Na+],S(=O)([S-])([O-])=O.[Na+].[Na+],"InChI=1S/2Na.H2O3S2/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",AKHNMLFCWUSKQB-UHFFFAOYSA-L
BMGC_DG05859,BMG_DG123892,OS(=O)(=S)O,S=S(=O)(O)O,"InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)",DHCDFWKWKRSZHF-UHFFFAOYSA-N
BMGC_DG05860,BMG_DG123894,C1CN(CCC1(C2=CC=C(C=C2)Br)O)CCCC(=O)C3=CC=C(C=C3)F,C1(CCN(CC1)CCCC(c2ccc(cc2)F)=O)(c3ccc(cc3)Br)O,"InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2",RKLNONIVDFXQRX-UHFFFAOYSA-N
BMGC_DG05861,BMG_DG123897,C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@H]2O)O)CCC4=C3C=CC(=C4)OC,[C@]12([C@]([C@]3([C@](c4c(cc(OC)cc4)CC3)([H])CC1)[H])(C[C@H]([C@H]2O)O)[H])C,"InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18-,19+/m1/s1",UHQGCIIQUZBJAE-RRQVMCLOSA-N
BMGC_DG05862,BMG_DG123899,I[Hg]I,[Hg+2].[I-].[I-],InChI=1S/Hg.2HI/h;2*1H/q+2;;/p-2,YFDLHELOZYVNJE-UHFFFAOYSA-L
BMGC_DG05863,BMG_DG123908,CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C,C1(=C(C(=O)C(=C(C1=O)C)C)C)C(c2ccccc2)CCCCCC(=O)O,"InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)",ZBVKEHDGYSLCCC-UHFFFAOYSA-N
BMGC_DG05864,BMG_DG123915,C(C(CO)([N+](=O)[O-])Br)O,[N+](C(Br)(CO)CO)([O-])=O,"InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2",LVDKZNITIUWNER-UHFFFAOYSA-N
BMGC_DG05865,BMG_DG123933,[O-]S(=O)(=O)[O-].[K+].[K+],[O-]S(=O)([O-])=O.[K+].[K+],"InChI=1S/2K.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",OTYBMLCTZGSZBG-UHFFFAOYSA-L
BMGC_DG05866,BMG_DG123935,CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl,c-12c(C(=NCc3n1c(nn3)C)c4c(Cl)cccc4)cc(s2)Br,"InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3",UMSGKTJDUHERQW-UHFFFAOYSA-N
BMGC_DG05867,BMG_DG123944,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Zn+2],[Zn+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1S/2NO3.Zn/c2*2-1(3)4;/q2*-1;+2,ONDPHDOFVYQSGI-UHFFFAOYSA-N
BMGC_DG05868,BMG_DG123954,ClCl,ClCl,InChI=1S/Cl2/c1-2,KZBUYRJDOAKODT-UHFFFAOYSA-N
BMGC_DG05869,BMG_DG123958,N(=O)O,ON=O,"InChI=1S/HNO2/c2-1-3/h(H,2,3)",IOVCWXUNBOPUCH-UHFFFAOYSA-N
BMGC_DG05870,BMG_DG123960,,[N+](=N)=[N-],,JUINSXZKUKVTMD-UHFFFAOYSA-N
BMGC_DG05871,BMG_DG123975,,C[C@@]12[C@@H](O)CC[C@@]1([H])[C@]3([H])C=Cc4cc(O)ccc4[C@@]3([H])CC2,,VVLCELUSWGWMSW-ZBRFXRBCSA-N
BMGC_DG05872,BMG_DG123980,F[Sn]F,,InChI=1S/2FH.Sn/h2*1H;/q;;+2/p-2,ANOBYBYXJXCGBS-UHFFFAOYSA-L
BMGC_DG05873,BMG_DG123996,,S(Nc1ccccc1)(=O)(=O)c2ccc(C)cc2,,VLVCWODDMDGANW-UHFFFAOYSA-N
BMGC_DG05874,BMG_DG124026,CCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C,C(CC(C)C)(=O)O[C@H]1[C@@H](OC([C@H]([C@H](OC([C@@H]1CCCC)=O)C)NC(c2c(c(ccc2)NC=O)O)=O)=O)C,"InChI=1S/C26H36N2O9/c1-6-7-9-18-23(37-20(30)12-14(2)3)16(5)36-26(34)21(15(4)35-25(18)33)28-24(32)17-10-8-11-19(22(17)31)27-13-29/h8,10-11,13-16,18,21,23,31H,6-7,9,12H2,1-5H3,(H,27,29)(H,28,32)/t15-,16+,18-,21+,23+/m1/s1",PVEVXUMVNWSNIG-PDPGNHKXSA-N
BMGC_DG05875,BMG_DG124037,,O=C1NC(=O)CC(C1)CC(=O)c2c(O)c(cc(c2)C)C,,YTLMIHBTPWTPEV-UHFFFAOYSA-N
BMGC_DG05876,BMG_DG124042,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Cr+3],[Cr+3].[N+]([O-])([O-])=O.[N+]([O-])([O-])=O.[N+]([O-])([O-])=O,InChI=1S/Cr.3NO3/c;3*2-1(3)4/q+3;3*-1,PHFQLYPOURZARY-UHFFFAOYSA-N
BMGC_DG05877,BMG_DG124063,CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C,,"InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3",VOVIALXJUBGFJZ-UHFFFAOYSA-N
BMGC_DG05878,BMG_DG124095,Cl[Tl],[Tl+].[Cl-],InChI=1S/ClH.Tl/h1H;/q;+1/p-1,GBECUEIQVRDUKB-UHFFFAOYSA-M
BMGC_DG05879,BMG_DG124116,CCCCOC1=CC=C(C=C1)CC(=O)NO,C(Cc1ccc(cc1)OCCCC)(NO)=O,"InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)",MXJWRABVEGLYDG-UHFFFAOYSA-N
BMGC_DG05880,BMG_DG124119,COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC,c1(c(cc(cc1OC)OC)OC)C(=O)CCCN2CCCC2,"InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3",OWYLAEYXIQKAOL-UHFFFAOYSA-N
BMGC_DG05881,BMG_DG124132,CCCCN=C(N)N=C(N)N,N(C(=N)NCCCC)C(=N)N,"InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)",XSEUMFJMFFMCIU-UHFFFAOYSA-N
BMGC_DG05882,BMG_DG124151,C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C,[C@@]12(C3=C([C@]4(CC[C@@H](C([C@@]4(CC3)[H])(C)C)O)C)CC[C@@]1([C@]([C@@H](CCC=C(C)C)C)([H])CC2)C)C,"InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1",CAHGCLMLTWQZNJ-BQNIITSRSA-N
BMGC_DG05883,BMG_DG124154,C[N+](C)(C)CC(=O)[O-],C([O-])(C[N+](C)(C)C)=O,"InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3",KWIUHFFTVRNATP-UHFFFAOYSA-N
BMGC_DG05884,BMG_DG124157,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CC=C4[C@@]3(CC[C@@H](C4)O)C,C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C[C@H](CC4)O)[H])[H])(CC[C@@H]2C(CO)=O)[H],"InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1",MOIQRAOBRXUWGN-WPWXJNKXSA-N
BMGC_DG05885,BMG_DG124165,CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O,,"InChI=1S/C21H28O2.C20H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2;1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h2,13,16-19,23H,3,5-12H2,1H3;1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17+,18+,19-,20-,21-;16-,17-,18+,19+,20+/m01/s1",ORKBYCQJWQBPFG-WOMZHKBXSA-N
BMGC_DG05886,BMG_DG124166,CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2,S(c1c(c(NCCCC)cc(c1)C(=O)O)Oc2ccccc2)(=O)(=O)N,"InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)",MAEIEVLCKWDQJH-UHFFFAOYSA-N
BMGC_DG05887,BMG_DG124172,CCCC(=O)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC,c1(nc(N)c2c(n1)cc(c(OC)c2)OC)N3CCN(C(=O)CCC)CCC3,"InChI=1S/C19H27N5O3/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19/h11-12H,4-10H2,1-3H3,(H2,20,21,22)",RHLJLALHBZGAFM-UHFFFAOYSA-N
BMGC_DG05888,BMG_DG124198,,C1c2c(cccc2)C[C@@H](C(O)=O)N1C(=O)[C@@H](N[C@@H](C(OCC)=O)CCc3ccccc3)C,,JSDRRTOADPPCHY-WTOYTKOKSA-N
BMGC_DG05889,BMG_DG124217,CCOP(=O)(OCC)SCCSCC,P(SCCSCC)(OCC)(OCC)=O,"InChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3",GRPRVIYRYGLIJU-UHFFFAOYSA-N
BMGC_DG05890,BMG_DG124222,,Ic1cccc2[nH]ncc12,,CJQXSPSUIGJNJX-UHFFFAOYSA-N
BMGC_DG05891,BMG_DG124226,CCCSC1=C(C=C(C(=C1)OC)CCN)OC,c1c(c(cc(c1CCN)OC)SCCC)OC,"InChI=1S/C13H21NO2S/c1-4-7-17-13-9-11(15-2)10(5-6-14)8-12(13)16-3/h8-9H,4-7,14H2,1-3H3",OLEVEPDJOFPJTF-UHFFFAOYSA-N
BMGC_DG05892,BMG_DG124229,CCC1=CC(=C(C=C1OC)CCN)OC,c1c(c(cc(c1CC)OC)CCN)OC,"InChI=1S/C12H19NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-6,13H2,1-3H3",VDRGNAMREYBIHA-UHFFFAOYSA-N
BMGC_DG05893,BMG_DG124236,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)O)O,[C@]12([C@]([C@]3([C@](c4c(cc(O)c(c4)O)CC3)([H])CC1)[H])(CC[C@@H]2O)[H])C,"InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1",DILDHNKDVHLEQB-XSSYPUMDSA-N
BMGC_DG05894,BMG_DG124241,C1C(CC2=CC=CC=C21)NCC3=C(C=C(C=C3F)C4=CC(=CC=C4)C5=NC=NN5)F,C1C(Cc2ccccc12)NCc3c(cc(cc3F)-c4cc(ccc4)-c5n[nH]cn5)F,"InChI=1S/C24H20F2N4/c25-22-11-19(15-6-3-7-18(8-15)24-28-14-29-30-24)12-23(26)21(22)13-27-20-9-16-4-1-2-5-17(16)10-20/h1-8,11-12,14,20,27H,9-10,13H2,(H,28,29,30)",WIEDUMBCZQRGSY-UHFFFAOYSA-N
BMGC_DG05895,BMG_DG124242,C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC,CN[C@H](C(N[C@H](C(N1[C@@H](CCC1)c2nc(cs2)C(c3ccc(cc3)F)=O)=O)C4CCCCC4)=O)C,"InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1",UFPFGVNKHCLJJO-SSKFGXFMSA-N
BMGC_DG05896,BMG_DG124243,CC(C)OC(=O)OCSP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O[C@@H]4[C@H](O[C@H]([C@@H]4OC)N5C=CC(=O)NC5=O)CO,O([C@@H]1[C@H](OP(=O)(SCOC(=O)OC(C)C)OC[C@@H]2[C@@H](O)C[C@H](n3cnc4c(ncnc43)N)O2)[C@@H](CO)O[C@H]1n5ccc(=O)[nH]c5=O)C,"InChI=1S/C25H34N7O13PS/c1-12(2)42-25(37)40-11-47-46(38,45-19-14(7-33)44-23(20(19)39-3)31-5-4-16(35)30-24(31)36)41-8-15-13(34)6-17(43-15)32-10-29-18-21(26)27-9-28-22(18)32/h4-5,9-10,12-15,17,19-20,23,33-34H,6-8,11H2,1-3H3,(H2,26,27,28)(H,30,35,36)/t13-,14+,15+,17+,19+,20+,23+,46?/m0/s1",CJCYTUJOSMYXLE-JDLSZIHUSA-N
BMGC_DG05897,BMG_DG124246,C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)CO)Cl,,"InChI=1S/C26H19ClFN3O3/c27-22-12-19(5-8-25(22)33-14-16-2-1-3-18(28)10-16)31-26-21-11-17(4-7-23(21)29-15-30-26)24-9-6-20(13-32)34-24/h1-12,15,32H,13-14H2,(H,29,30,31)",KWZZYAKRBYRQTG-UHFFFAOYSA-N
BMGC_DG05898,BMG_DG124252,CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C,C(Nc1c(cccc1C)C)(C2N(CCCC)CCCC2)=O,"InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)",LEBVLXFERQHONN-UHFFFAOYSA-N
BMGC_DG05899,BMG_DG124260,,n12cc(nc1ccc(c2)SC)-c3ccc(cc3)N(C)C,,WOYCDVDURLTMAW-UHFFFAOYSA-N
BMGC_DG05900,BMG_DG124264,CN1C[C@H]2CCN([C@H]2C1)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=O)C=CC=N5,[H][C@]12CN(C[C@]1(CCN2c3ccc(cc3)-c4ccc(cc4)-n5c(cccn5)=O)[H])C,"InChI=1S/C23H24N4O/c1-25-15-19-12-14-26(22(19)16-25)20-8-4-17(5-9-20)18-6-10-21(11-7-18)27-23(28)3-2-13-24-27/h2-11,13,19,22H,12,14-16H2,1H3/t19-,22+/m1/s1",GNIRITULTPTAQW-KNQAVFIVSA-N
BMGC_DG05901,BMG_DG124265,,CCCn1cnc2c(N)ncnc12,,QTULKOMMYIUZQD-UHFFFAOYSA-N
BMGC_DG05902,BMG_DG124266,CC1=CC(=CC(=C1NC(=O)CC(C)(C)C)C)N2CCC3=C(C2)C=CC(=C3)F,c1c(C)c(c(C)cc1N2Cc3c(cc(cc3)F)CC2)NC(=O)CC(C)(C)C,"InChI=1S/C23H29FN2O/c1-15-10-20(11-16(2)22(15)25-21(27)13-23(3,4)5)26-9-8-17-12-19(24)7-6-18(17)14-26/h6-7,10-12H,8-9,13-14H2,1-5H3,(H,25,27)",FJNPZKZPWVVSON-UHFFFAOYSA-N
BMGC_DG05903,BMG_DG124270,CC1(C(=O)N(C2=C(O1)C=C(C=C2)NS(=O)(=O)C)C3=CC=C(C=C3)F)C,CS(=O)(=O)Nc1ccc2N(C(C(Oc2c1)(C)C)=O)c3ccc(cc3)F,"InChI=1S/C17H17FN2O4S/c1-17(2)16(21)20(13-7-4-11(18)5-8-13)14-9-6-12(10-15(14)24-17)19-25(3,22)23/h4-10,19H,1-3H3",AZNHWXAFPBYFGH-UHFFFAOYSA-N
BMGC_DG05904,BMG_DG124274,CN[C@@H]1CCN(C1)C2=NC(=NC(=C2)NCC3CC3)N,n1c(nc(cc1NCC2CC2)N3C[C@@H](CC3)NC)N,"InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1",ISBHYKVAFKTATD-SNVBAGLBSA-N
BMGC_DG05905,BMG_DG124285,,,,
BMGC_DG05906,BMG_DG124286,,,,
BMGC_DG05907,BMG_DG124287,C1CC(CCC1OC2=C(C(=CC=C2)Cl)F)(CC3=NC(=CC=C3)NC4=NC=CS4)C(=O)O,[C@]1(CC[C@@H](CC1)Oc2c(c(ccc2)Cl)F)(C(=O)O)Cc3cccc(n3)Nc4sccn4,"InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)",LCVIRAZGMYMNNT-UHFFFAOYSA-N;LCVIRAZGMYMNNT-VVONHTQRSA-N
BMGC_DG05908,BMG_DG124289,C1=CC(=CC(=C1)Cl)NC2=NC3=C(C=CC(=C3)C(=O)O)C4=C2C=CN=C4,O=C(O)c1ccc2c(c1)nc(Nc3cccc(Cl)c3)c4c2cncc4,"InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)",MUOKSQABCJCOPU-UHFFFAOYSA-N
BMGC_DG05909,BMG_DG124290,C(C(C(C(C(C=O)O)O)O)O)O,,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",GZCGUPFRVQAUEE-UHFFFAOYSA-N
BMGC_DG05910,BMG_DG124292,CCCCCCCC/C=C\CCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O,,"InChI=1S/C28H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)29-21-20-24-23-30-27-19-18-25(31)22-26(24)27/h9-10,18-19,22-23,30-31H,2-8,11-17,20-21H2,1H3,(H,29,32)/b10-9-",LCQKHZYXPCLVBI-KTKRTIGZSA-N
BMGC_DG05911,BMG_DG124293,CCCCCC1=CC(=CC=C1)CC(=O)O,CCCCCc1cccc(CC(=O)O)c1,"InChI=1S/C13H18O2/c1-2-3-4-6-11-7-5-8-12(9-11)10-13(14)15/h5,7-9H,2-4,6,10H2,1H3,(H,14,15)",PEGQOIGYZLJMIB-UHFFFAOYSA-N
BMGC_DG05912,BMG_DG124294,CC1=CC(=C(C=C1)Cl)OCC(CNC(C)(C)C)O,O(c1cc(C)ccc1Cl)CC(O)CNC(C)(C)C,"InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3",HQIRNZOQPUAHHV-UHFFFAOYSA-N
BMGC_DG05913,BMG_DG124303,C[C@]1(C(=O)NC(=O)N1)CS(=O)(=O)N2CCC(CC2)OC3=NC=C(C=C3)Cl,c1(cnc(cc1)OC2CCN(CC2)S(C[C@@]3(C(NC(N3)=O)=O)C)(=O)=O)Cl,"InChI=1S/C15H19ClN4O5S/c1-15(13(21)18-14(22)19-15)9-26(23,24)20-6-4-11(5-7-20)25-12-3-2-10(16)8-17-12/h2-3,8,11H,4-7,9H2,1H3,(H2,18,19,21,22)/t15-/m1/s1",SFJFBTPHDHUUPU-OAHLLOKOSA-N
BMGC_DG05914,BMG_DG124306,,,,
BMGC_DG05915,BMG_DG124307,,,,
BMGC_DG05916,BMG_DG124308,,,,
BMGC_DG05917,BMG_DG124309,,,,
BMGC_DG05918,BMG_DG124310,,,,
BMGC_DG05919,BMG_DG124313,,n1(ccc2ccc(cc12)C(=O)NO)Cc3ccc(cc3)OC,,AJRGHIGYPXNABY-UHFFFAOYSA-N
BMGC_DG05920,BMG_DG124316,,,,
BMGC_DG05921,BMG_DG124319,,,,
BMGC_DG05922,BMG_DG124334,,c1(ccc(cc1)-c2oc(cc2)C)S(=O)(=O)Nc3c(ccc(c3)N4C[C@H](N[C@H](C4)C)C)OC,,CBXAVILHOBZVOY-CALCHBBNSA-N
BMGC_DG05923,BMG_DG124336,C1=CC(=CC(=C1)NC(=O)C2=CC=CC3=C2C=CC(=C3)OC4=NC=NC(=C4)CO)C(F)(F)F,c1(cccc2cc(ccc12)Oc3ncnc(c3)CO)C(=O)Nc4cc(ccc4)C(F)(F)F,"InChI=1S/C23H16F3N3O3/c24-23(25,26)15-4-2-5-16(10-15)29-22(31)20-6-1-3-14-9-18(7-8-19(14)20)32-21-11-17(12-30)27-13-28-21/h1-11,13,30H,12H2,(H,29,31)",JNLSTLQFDDAULK-UHFFFAOYSA-N
BMGC_DG05924,BMG_DG124338,,,,
BMGC_DG05925,BMG_DG124339,COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO,N(O)C(=O)CCCCCCOc1c(OC)cc2ncnc(Nc3cccc(C#C)c3)c2c1,"InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)",PLIVFNIUGLLCEK-UHFFFAOYSA-N
BMGC_DG05926,BMG_DG124348,CC(=O)N[C@H]1[C@@H](O[C@@H]([C@H](C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O[C@H]3[C@@H](C([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)NC(=O)C)O)O)O)CO)O,,"InChI=1S/C28H44N2O23/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18?,19?,20+,21+,22+,25-,26+,27-,28-/m1/s1",KIUKXJAPPMFGSW-MNSSHETKSA-N
BMGC_DG05927,BMG_DG124361,,,,
BMGC_DG05928,BMG_DG124365,,,,
BMGC_DG05929,BMG_DG124368,,C(c1c(c(ccc1)C(F)(F)F)F)(=O)/N=c\2/n(n(c(c2)C(C)(C)C)C)CC3CC3,,PABOWKPYVAFTRN-PCLIKHOPSA-N
BMGC_DG05930,BMG_DG124373,,,,
BMGC_DG05931,BMG_DG124375,,,,
BMGC_DG05932,BMG_DG124376,,,,
BMGC_DG05933,BMG_DG124378,,,,
BMGC_DG05934,BMG_DG124379,,,,
BMGC_DG05935,BMG_DG124380,,n1(n(c(c(c1C)C(=O)Nc2ccc(cn2)Oc3ccnc4cc(ccc34)OC)=O)-c5ccccc5)CC(C)(C)O,,GLBZSOQDAOLMGC-UHFFFAOYSA-N
BMGC_DG05936,BMG_DG124382,CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)N)S(=O)(=O)N)OC,O(c1c(C(C)C)cc(OC)c(S(N)(=O)=O)c1)c2c(nc(nc2)N)N,"InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19)",HLWURFKMDLAKOD-UHFFFAOYSA-N
BMGC_DG05937,BMG_DG124383,,o1c(cc2c1ccc(c2)CCCOC)-c3cc(c(cc3)OC)OC,,CUEPJIGXQLIOIK-UHFFFAOYSA-N
BMGC_DG05938,BMG_DG124385,CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NCC3=C(C=CC(=C3)F)OC4=CC5=C(C=C4)N(N=C5)CCO,N(C(=O)NCc1c(ccc(c1)F)Oc2cc3cnn(c3cc2)CCO)c4cc(nn4-c5ccc(cc5)C)C(C)(C)C,"InChI=1S/C31H33FN6O3/c1-20-5-8-24(9-6-20)38-29(17-28(36-38)31(2,3)4)35-30(40)33-18-22-15-23(32)7-12-27(22)41-25-10-11-26-21(16-25)19-34-37(26)13-14-39/h5-12,15-17,19,39H,13-14,18H2,1-4H3,(H2,33,35,40)",LNMRSSIMGCDUTP-UHFFFAOYSA-N
BMGC_DG05939,BMG_DG124386,CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCC5=C6CN(CC6=CC=C5)C(=O)O4)(C)C)C(C)(C)C,[C@]1(C[C@H]1CC)(C(NS(C2CC2)(=O)=O)=O)NC(=O)[C@]3(N4C[C@@H](C3)OC(N5Cc6c(c(CCCCC(COC(=O)N[C@H](C4=O)C(C)(C)C)(C)C)ccc6)C5)=O)[H],"InChI=1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1",KUQWGLQLLVFLSM-ONAXAZCASA-N
BMGC_DG05940,BMG_DG124387,C[C@H](C1=NC=C(C=C1)OCC(F)(F)F)NC(=O)CC2=CC=C(C=C2)C(C)C,C(Cc1ccc(cc1)C(C)C)(=O)N[C@H](C)c2ccc(cn2)OCC(F)(F)F,"InChI=1S/C20H23F3N2O2/c1-13(2)16-6-4-15(5-7-16)10-19(26)25-14(3)18-9-8-17(11-24-18)27-12-20(21,22)23/h4-9,11,13-14H,10,12H2,1-3H3,(H,25,26)/t14-/m1/s1",IQIKXZMPPBEWAD-CQSZACIVSA-N
BMGC_DG05941,BMG_DG124389,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)OS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,,"InChI=1S/C13H21NO15S/c1-2(15)14-3-8(7(19)13(28-11(3)22)29-30(23,24)25)26-12-6(18)4(16)5(17)9(27-12)10(20)21/h3-9,11-13,16-19,22H,1H3,(H,14,15)(H,20,21)(H,23,24,25)/t3-,4+,5+,6-,7-,8-,9+,11-,12-,13-/m1/s1",KXKPYJOVDUMHGS-OSRGNVMNSA-N
BMGC_DG05942,BMG_DG124394,,Nc1ncnc2c1ncn2C3CCCCCC3,,FHZRSYFMJLJWBS-UHFFFAOYSA-N
BMGC_DG05943,BMG_DG124395,CC1=C(C=C(C=C1)OC2=NN3C=C(N=C3C=C2)NC(=O)C4CC4)NC(=O)C5=CC(=NN5C)C,n1(nc(cc1C(=O)Nc2c(ccc(c2)Oc3ccc4n(n3)cc(n4)NC(=O)C5CC5)C)C)C,"InChI=1S/C23H23N7O3/c1-13-4-7-16(11-17(13)24-23(32)18-10-14(2)27-29(18)3)33-21-9-8-20-25-19(12-30(20)28-21)26-22(31)15-5-6-15/h4,7-12,15H,5-6H2,1-3H3,(H,24,32)(H,26,31)",DZFZXPPHBWCXPQ-UHFFFAOYSA-N
BMGC_DG05944,BMG_DG124400,,,,
BMGC_DG05945,BMG_DG124401,,,,
BMGC_DG05946,BMG_DG124404,,,,
BMGC_DG05947,BMG_DG124405,,,,
BMGC_DG05948,BMG_DG124406,,,,
BMGC_DG05949,BMG_DG124407,,,,
BMGC_DG05950,BMG_DG124408,,,,
BMGC_DG05951,BMG_DG124409,,,,
BMGC_DG05952,BMG_DG124417,,Fc1c(cc(cc1)F)[C@H]2OC[C@@H](C[C@@H]2N)N3Cc4[nH]ncc4C3,,JFUBTJMMAHQVJI-DIOULYMOSA-N
BMGC_DG05953,BMG_DG124419,C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4,N1(C(CC2(CC1=O)CCCC2)=O)CCCCN3CCN(c4ncccn4)CC3,"InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2",QWCRAEMEVRGPNT-UHFFFAOYSA-N
BMGC_DG05954,BMG_DG124422,CCOC(=O)C(C)(C)NP(=O)(C1=CC=C(O1)C2=C(SC(=N2)N)C(=O)C(C)(C)C)NC(C)(C)C(=O)OCC,P(c1oc(cc1)-c2nc(sc2C(C(C)(C)C)=O)N)(NC(C(=O)OCC)(C)C)(NC(C(=O)OCC)(C)C)=O,"InChI=1S/C24H37N4O7PS/c1-10-33-19(30)23(6,7)27-36(32,28-24(8,9)20(31)34-11-2)15-13-12-14(35-15)16-17(37-21(25)26-16)18(29)22(3,4)5/h12-13H,10-11H2,1-9H3,(H2,25,26)(H2,27,28,32)",CTKZZUXRWBCFEI-UHFFFAOYSA-N
BMGC_DG05955,BMG_DG124423,C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2,c1(ccccc1)CSC(CCSCc2ccccc2)CCCCC(O)=O,"InChI=1S/C22H28O2S2/c23-22(24)14-8-7-13-21(26-18-20-11-5-2-6-12-20)15-16-25-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,23,24)",ZYRLHJIMTROTBO-UHFFFAOYSA-N
BMGC_DG05956,BMG_DG124426,C1CC(C1)N2CCCN(CC2)C(=O)C3=CN=C(C=C3)OC4=CC=C(C=C4)F,C1C(CC1)N2CCN(CCC2)C(c3ccc(nc3)Oc4ccc(cc4)F)=O,"InChI=1S/C21H24FN3O2/c22-17-6-8-19(9-7-17)27-20-10-5-16(15-23-20)21(26)25-12-2-11-24(13-14-25)18-3-1-4-18/h5-10,15,18H,1-4,11-14H2",IQOWHZHNGJXGHG-UHFFFAOYSA-N
BMGC_DG05957,BMG_DG124429,,,,
BMGC_DG05958,BMG_DG124440,C1CN(CCC1=CC2=CC(=CC=C2)OC3=NC=C(C=C3)C(F)(F)F)C(=O)NC4=NN=CC=C4,N1(CCC(CC1)=Cc2cc(ccc2)Oc3ccc(cn3)C(F)(F)F)C(=O)Nc4cccnn4,"InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32)",BATCTBJIJJEPHM-UHFFFAOYSA-N
BMGC_DG05959,BMG_DG124441,COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC,C(c1c(cc(cc1)Nc2nc-3c(CN=C(c4c3ccc(c4)Cl)c5c(cccc5OC)F)cn2)OC)(=O)O,"InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)",ZLHFILGSQDJULK-UHFFFAOYSA-N
BMGC_DG05960,BMG_DG124443,CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCCCCCCCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)N)([C@](C(=O)O3)(C)O)O,CC=1[C@H](OC(=O)/C(/C)=C\C)[C@@H](OC(=O)CCCCCCC)[C@]2([H])[C@@](C[C@H](OC(CCCCCCCCCCCNC(C[C@@H](C(N[C@@H](CCC(N[C@@H](CCC(N[C@@H](CCC(N[C@@H](CCC(O)=O)C(O)=O)=O)C(O)=O)=O)C(O)=O)=O)C(O)=O)=O)N)=O)=O)[C@]3(O)[C@@](O)(C)C(=O)O[C@@]3([H])C21)(C)OC(=O)C,"InChI=1S/C66H100N6O27/c1-8-10-11-17-20-24-51(81)96-55-53-52(37(4)54(55)97-62(91)36(3)9-2)56-66(94,65(7,93)63(92)98-56)44(35-64(53,6)99-38(5)73)95-50(80)23-21-18-15-13-12-14-16-19-22-33-68-48(77)34-39(67)57(82)72-43(61(89)90)27-31-47(76)70-41(59(85)86)25-29-45(74)69-40(58(83)84)26-30-46(75)71-42(60(87)88)28-32-49(78)79/h9,39-44,53-56,93-94H,8,10-35,67H2,1-7H3,(H,68,77)(H,69,74)(H,70,76)(H,71,75)(H,72,82)(H,78,79)(H,83,84)(H,85,86)(H,87,88)(H,89,90)/b36-9-/t39-,40-,41-,42-,43-,44-,53+,54-,55-,56-,64-,65+,66+/m0/s1",UPYNTAIBQVNPIH-ODMLWHIESA-N
BMGC_DG05961,BMG_DG124445,CN(CCO)C(=O)C1=CC=C(C=C1)C(=C2CCN(CC2)CC3=CSC=N3)C4=CC=CC5=C4N=CC=C5,C(c1ccc(cc1)C(=C2CCN(CC2)Cc3ncsc3)c4cccc5cccnc45)(=O)N(C)CCO,"InChI=1S/C29H30N4O2S/c1-32(16-17-34)29(35)24-9-7-21(8-10-24)27(26-6-2-4-23-5-3-13-30-28(23)26)22-11-14-33(15-12-22)18-25-19-36-20-31-25/h2-10,13,19-20,34H,11-12,14-18H2,1H3",ZJKUETLEJYCOBO-UHFFFAOYSA-N
BMGC_DG05962,BMG_DG124446,,C(c1c(cc(cc1)-n2nc(c3C(CC(Cc23)(C)C)=O)C(F)(F)F)N[C@H]4CC[C@@H](CC4)O)(=O)N,,ZFVRYNYOPQZKDG-MQMHXKEQSA-N
BMGC_DG05963,BMG_DG124452,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,C1[C@@H](C[C@@]2([C@](C1)([C@@]3([C@@](CC2)([C@]4([C@](CC3)(C(CC4)=O)C)[H])[H])[H])C)[H])O,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,18+,19+/m1/s1",QGXBDMJGAMFCBF-XRJZGPCZSA-N
BMGC_DG05964,BMG_DG124460,C[C@@H]1CN(C[C@@H](O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F,c1(ccc(cc1)-c2c(c(ccc2)C(=O)Nc3ccc(nc3)N4C[C@@H](O[C@@H](C4)C)C)C)OC(F)(F)F,"InChI=1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+",VZZJRYRQSPEMTK-CALCHBBNSA-N
BMGC_DG05965,BMG_DG124467,,Clc1ccc(cc1)NC(=O)Nc2c(n(n(c2C(C)C)C)-c3ccccc3)=O,,PAEBEUZTAPIOIO-UHFFFAOYSA-N
BMGC_DG05966,BMG_DG124469,CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl,c1(ccc(c(c1)-c2ccccn2)Cl)NC(=O)c3ccc(cc3Cl)S(C)(=O)=O,"InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)",BPQMGSKTAYIVFO-UHFFFAOYSA-N
BMGC_DG05967,BMG_DG124476,,,,
BMGC_DG05968,BMG_DG124478,,,,
BMGC_DG05969,BMG_DG124680,,,,
BMGC_DG05970,BMG_DG124681,,,,
BMGC_DG05971,BMG_DG124682,,,,
BMGC_DG05972,BMG_DG124683,,,,
BMGC_DG05973,BMG_DG124684,,,,
BMGC_DG05974,BMG_DG124694,CS(=O)(=O)OCCCCOS(=O)(=O)C,S(=O)(=O)(OCCCCOS(=O)(=O)C)C,"InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3",COVZYZSDYWQREU-UHFFFAOYSA-N
BMGC_DG05975,BMG_DG124698,CC1=C(C=CC=C1F)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)[C@H]3CCCNC3)O,Clc1ccc(NC(Nc2cccc(F)c2C)=O)c(O)c1S([C@H]3CCCNC3)(=O)=O,"InChI=1S/C19H21ClFN3O4S/c1-11-14(21)5-2-6-15(11)23-19(26)24-16-8-7-13(20)18(17(16)25)29(27,28)12-4-3-9-22-10-12/h2,5-8,12,22,25H,3-4,9-10H2,1H3,(H2,23,24,26)/t12-/m0/s1",NGYNBSHYFOFVLS-LBPRGKRZSA-N
BMGC_DG05976,BMG_DG124701,,Cc1cccc(C)c1CC2=NCCN2,,GPUVYOKQAJEFBO-UHFFFAOYSA-N
BMGC_DG05977,BMG_DG124707,C[C@H]1C[C@H]2[C@@H]3CC[C@@H]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)O)C)C(=O)C,[C@]12(C(=CC(CC1)=O)[C@@H](C)C[C@@]3([C@@]2([C@H](C[C@@]4([C@@H](C(=O)C)CC[C@@]34[H])C)O)[H])[H])C,"InChI=1S/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1",GZENKSODFLBBHQ-ILSZZQPISA-N
BMGC_DG05978,BMG_DG124710,C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F,C(Nc1ccc(nc1)F)(=O)[C@@]2(C)N(c3nc(Nc4cc([nH]n4)C5CC5)c6n(n3)ccc6)CCC2,"InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1",LQVXSNNAFNGRAH-QHCPKHFHSA-N
BMGC_DG05979,BMG_DG124722,C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O,C([C@H](CNC(C)C)c1ccc(cc1)Cl)(=O)N2CCN(CC2)c3c4c(ncn3)[C@@H](C[C@H]4C)O,"InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1",GRZXWCHAXNAUHY-NSISKUIASA-N
BMGC_DG05980,BMG_DG124724,CCC(C)C1(C(=O)NC(=O)NC1=O)CC,C1(C(C(=O)NC(N1)=O)(C(CC)C)CC)=O,"InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)",ZRIHAIZYIMGOAB-UHFFFAOYSA-N
BMGC_DG05981,BMG_DG124731,,[C@]12(C(=CC(=O)CC1)C[C@@H](C)[C@]3([C@]4([C@]([C@@H](O)CC4)(C)CC[C@]23[H])[H])[H])C,,HZWZHWTZLZZBFF-UQYBFTDGSA-N
BMGC_DG05982,BMG_DG124735,,,,
BMGC_DG05983,BMG_DG124736,,,,
BMGC_DG05984,BMG_DG124737,CCOC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F,c1(c(c(ccn1-c2ccc(cc2)F)OCC)C(=O)Nc3cc(c(cc3)Oc4c(c(ncc4)N)Cl)F)=O,"InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)",VNBRGSXVFBYQNN-UHFFFAOYSA-N
BMGC_DG05985,BMG_DG124738,CC(C)C[C@H](C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)(C(=O)O)N)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=CC=C3)N,N[C@H](Cc1ccccc1)C(N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(N[C@@H](C(=O)N3CCC(CC3)(C(O)=O)N)CCCCN)=O)CC(C)C)=O,"InChI=1S/C36H53N7O6/c1-24(2)21-29(32(45)40-28(15-9-10-18-37)34(47)43-19-16-36(39,17-20-43)35(48)49)42-33(46)30(23-26-13-7-4-8-14-26)41-31(44)27(38)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,37-39H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)(H,48,49)/t27-,28-,29-,30-/m1/s1",FWMNVWWHGCHHJJ-SKKKGAJSSA-N
BMGC_DG05986,BMG_DG124740,CC(C)C[C@@H]1CN2CCC3=CC(=C(C=C3[C@H]2C[C@H]1OC(=O)[C@H](C(C)C)N)OC)OC,O(C([C@H](C(C)C)N)=O)[C@@H]1C[C@@]2(c3c(cc(OC)c(OC)c3)CCN2C[C@H]1CC(C)C)[H],"InChI=1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1",GEJDGVNQKABXKG-CFKGEZKQSA-N
BMGC_DG05987,BMG_DG124741,CN1CCC(CC1)CNC2=NN3C(=NC=C3C4=CC(=CC=C4)OC(F)(F)F)C=C2,C1CC(CCN1C)CNc2ccc3n(n2)c(cn3)-c4cc(ccc4)OC(F)(F)F,"InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)",MHXGEROHKGDZGO-UHFFFAOYSA-N
BMGC_DG05988,BMG_DG124742,C1C2CN(CC2CN1)C(=O)C3=CC=C(O3)Cl,,"InChI=1S/C11H13ClN2O2/c12-10-2-1-9(16-10)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2",GTUIQNHJSXQMKW-UHFFFAOYSA-N
BMGC_DG05989,BMG_DG124744,CC1=NC2=C(C=C1)C(=CC=C2)NC[C@](CC(C)(C)C3=CC(=CC4=C3OCC4)F)(C(F)(F)F)O,C(C[C@@](CNc1c2c(ccc1)nc(cc2)C)(C(F)(F)F)O)(C)(C)c3c4c(cc(c3)F)CCO4,"InChI=1S/C25H26F4N2O2/c1-15-7-8-18-20(5-4-6-21(18)31-15)30-14-24(32,25(27,28)29)13-23(2,3)19-12-17(26)11-16-9-10-33-22(16)19/h4-8,11-12,30,32H,9-10,13-14H2,1-3H3/t24-/m1/s1",VJGFOYBQOIPQFY-XMMPIXPASA-N
BMGC_DG05990,BMG_DG124746,,O=C(n1nc(Cc2ccc(-c3ccccc3)cc2)nn1)N(C)C,,VBVLSXPOMAONNK-UHFFFAOYSA-N
BMGC_DG05991,BMG_DG124752,CC(=O)C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O,,"InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3",JERGUCIJOXJXHF-UHFFFAOYSA-N
BMGC_DG05992,BMG_DG124757,,,,
BMGC_DG05993,BMG_DG124758,,[C@]12(CC[C@](CC1)(NC)c3ccccc3)c4[nH]c5ccc(cc5c4CCO2)F,,AMXGKMSRYLZAEO-YHBQERECSA-N
BMGC_DG05994,BMG_DG124764,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/CCC(=O)O)O,,"InChI=1S/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h4,6,13-15,20-22,26,39-40H,3,5,7-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b6-4+/t15-,20-,21-,22+,26-/m1/s1",ZFXICKRXPZTFPB-KCQRSJHASA-N
BMGC_DG05995,BMG_DG124767,,,,
BMGC_DG05996,BMG_DG124769,,,,
BMGC_DG05997,BMG_DG124770,,,,
BMGC_DG05998,BMG_DG124778,C[N+](C)(C)CC(=O)O,,"InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1",KWIUHFFTVRNATP-UHFFFAOYSA-O
BMGC_DG05999,BMG_DG124779,CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)N,C(c1ccc(cc1)N)(=O)OCCCN(CCCC)CCCC,"InChI=1S/C18H30N2O2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3",HQFWVSGBVLEQGA-UHFFFAOYSA-N
BMGC_DG06000,BMG_DG124780,,CC1(N2CCC(CC2)n3c(nc4c3cccc4)[C@@H]5CCCNC5)CCCCCCC1,,CYYNMPPFEJPBJD-OAQYLSRUSA-N
BMGC_DG06001,BMG_DG124783,B([C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)C1=CC=CC(=N1)C2=CC=CC=C2)(O)O,OB([C@@H](NC(=O)[C@@H](NC(c1cccc(-c2ccccc2)n1)=O)[C@H](O)C)CC(C)C)O,"InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1",SJFBTAPEPRWNKH-CCKFTAQKSA-N
BMGC_DG06002,BMG_DG124784,,,,
BMGC_DG06003,BMG_DG124785,,c1cnc(N)nc1-c2c[nH]c3c2c(=O)cc[nH]3,,JYGNOLIKBUTZNC-UHFFFAOYSA-N
BMGC_DG06004,BMG_DG124787,,,,
BMGC_DG06005,BMG_DG124788,,,,
BMGC_DG06006,BMG_DG124791,C1=CC=C(C=C1)[C@H](C#N)O[C@H]2C([C@@H]([C@@H](C(O2)CO[C@H]3C([C@@H]([C@@H](C(O3)CO)O)O)O)O)O)O,,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11?,12?,13+,14+,15+,16+,17?,18?,19+,20+/m0/s1",XUCIJNAGGSZNQT-ZPVJLWCPSA-N
BMGC_DG06007,BMG_DG124796,,O=c1cc(-c2ccccc2)oc3ccc(Cl)cc13,,IFNDLWHUYFSXBK-UHFFFAOYSA-N
BMGC_DG06008,BMG_DG124816,COC[C@]12C[C@]1(CCNC2)C3=CC(=C(C=C3)Cl)Cl,,"InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1",ICXJGCSEMJXNQF-ZIAGYGMSSA-N
BMGC_DG06009,BMG_DG124828,Cl[Cr](Cl)Cl,[Cr+3].[Cl-].[Cl-].[Cl-],InChI=1S/3ClH.Cr/h3*1H;/q;;;+3/p-3,QSWDMMVNRMROPK-UHFFFAOYSA-K
BMGC_DG06010,BMG_DG124829,,,,
BMGC_DG06011,BMG_DG124830,,,,
BMGC_DG06012,BMG_DG124831,,,,
BMGC_DG06013,BMG_DG124837,CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C,C1(C(NC(NC1=O)=O)=O)(CC(C)C)CC=C,"InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)",UZVHFVZFNXBMQJ-UHFFFAOYSA-N
BMGC_DG06014,BMG_DG124839,CC(C)N1C=C(C=CC1=O)C2=NC=C(N=C2C3=CC=C(C=C3)F)N,c1(ccc(cn1C(C)C)-c2c(nc(cn2)N)-c3ccc(cc3)F)=O,"InChI=1S/C18H17FN4O/c1-11(2)23-10-13(5-8-16(23)24)17-18(22-15(20)9-21-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3,(H2,20,22)",MNUJNGGYFNZUNB-UHFFFAOYSA-N
BMGC_DG06015,BMG_DG124847,,,,
BMGC_DG06016,BMG_DG124848,,,,
BMGC_DG06017,BMG_DG124849,,,,
BMGC_DG06018,BMG_DG124850,,,,
BMGC_DG06019,BMG_DG124851,,,,
BMGC_DG06020,BMG_DG124853,CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F,c1(cc(Cc2sc(cc2)-c3ccc(cc3)F)c(cc1)C)[C@H]4[C@H](O)[C@H]([C@H](O)[C@H](O4)CO)O,"InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1",XTNGUQKDFGDXSJ-ZXGKGEBGSA-N
BMGC_DG06021,BMG_DG124854,C[C@@H]1N=C(NC(=N1)N(C)C)N,C[C@H]1N=C(N(C)C)N=C(N)N1,"InChI=1S/C6H13N5/c1-4-8-5(7)10-6(9-4)11(2)3/h4H,1-3H3,(H3,7,8,9,10)/t4-/m1/s1",GFICWFZTBXUVIG-SCSAIBSYSA-N
BMGC_DG06022,BMG_DG124860,COC1=CC2=C(C=C1)NC=C2CCNC(=O)C3=CC(=O)C=CO3,C(CNC(=O)c1cc(=O)cco1)c2c3c([nH]c2)ccc(c3)OC,"InChI=1S/C17H16N2O4/c1-22-13-2-3-15-14(9-13)11(10-19-15)4-6-18-17(21)16-8-12(20)5-7-23-16/h2-3,5,7-10,19H,4,6H2,1H3,(H,18,21)",PNTNBIHOAPJYDB-UHFFFAOYSA-N
BMGC_DG06023,BMG_DG124868,CCCCOC(=O)C1=CC=C(C=C1)N,C(c1ccc(cc1)N)(=O)OCCCC,"InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3",IUWVALYLNVXWKX-UHFFFAOYSA-N
BMGC_DG06024,BMG_DG124870,,,,
BMGC_DG06025,BMG_DG124890,,C(C=C)(=O)N1C[C@H](CCC1)n2nc(c3c2ncnc3N)-c4ccc(cc4)Oc5ccccc5,,XYFPWWZEPKGCCK-SFHVURJKSA-N
BMGC_DG06026,BMG_DG124891,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,C(C=C)(=O)N1C[C@@H](CCC1)n2nc(c3c2ncnc3N)-c4ccc(cc4)Oc5ccccc5,"InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1",XYFPWWZEPKGCCK-GOSISDBHSA-N
BMGC_DG06027,BMG_DG124892,,Nc1c2c(nn(c2ncn1)C3CCN(C(C=C)=O)CC3)-c4ccc(Oc5ccccc5)cc4,,KALPRSFUZYGTNU-UHFFFAOYSA-N
BMGC_DG06028,BMG_DG124896,CNC1=CC=C(C=C1)/C=C/C2=CN=C(C=C2)OCCOCCOCC[18F],c1c(ccc(c1)/C=C/c2ccc(nc2)OCCOCCOCC[18F])NC,"InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+/i21-1",YNDIAUKFXKEXSV-CRYLGTRXSA-N
BMGC_DG06029,BMG_DG124909,,C(COC)(=O)NCc1cccc(n1)-c2cc3c(nc(c4c3n(cn4)C)NC)[nH]2,,ULTCRVJUAZCGPP-UHFFFAOYSA-N
BMGC_DG06030,BMG_DG124910,C[C@@H]([C@@H](C1=CC(=CC=C1)OC)OC2=CC3=C(C=C2)N(N=C3)C4=CC=C(C=C4)F)NC(=O)C(F)(F)F,C(C(F)(F)F)(=O)N[C@H]([C@@H](c1cc(ccc1)OC)Oc2cc3cnn(c3cc2)-c4ccc(cc4)F)C,"InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1",FCNQMDSJHADDFT-WNSKOXEYSA-N
BMGC_DG06031,BMG_DG124913,,Cn1nc(C)c(c1C)-c2cc(ccc2)CCN(C)C,,MFUWRMRKXKCSPL-UHFFFAOYSA-N
BMGC_DG06032,BMG_DG124917,CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5,c1(C#Cc2c(C)ccc(c2)C(Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)=O)n5c(nc1)cccn5,"InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)",PHXJVRSECIGDHY-UHFFFAOYSA-N
BMGC_DG06033,BMG_DG124918,CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCNCC3)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5,c1(C#Cc2c(C)ccc(c2)C(Nc3cc(C(F)(F)F)c(CN4CCNCC4)cc3)=O)n5c(nc1)cccn5,"InChI=1S/C28H25F3N6O/c1-19-4-5-21(15-20(19)7-9-24-17-33-26-3-2-10-34-37(24)26)27(38)35-23-8-6-22(25(16-23)28(29,30)31)18-36-13-11-32-12-14-36/h2-6,8,10,15-17,32H,11-14,18H2,1H3,(H,35,38)",KWRBKHJXXYLTAA-UHFFFAOYSA-N
BMGC_DG06034,BMG_DG124931,,c1(c(oc2c(c1=O)cccc2)-c3ccccc3)N,,ZMFXTDDPSAJSFY-UHFFFAOYSA-N
BMGC_DG06035,BMG_DG124932,CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)SC)O)O)O)Cl,[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)SC)O)O)O)c2cc(c(cc2)Cl)Cc3ccc(cc3)OCC,"InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1",QKDRXGFQVGOQKS-CRSSMBPESA-N
BMGC_DG06036,BMG_DG124935,,,,
BMGC_DG06037,BMG_DG124936,,,,
BMGC_DG06038,BMG_DG124937,,,,
BMGC_DG06039,BMG_DG124938,,,,
BMGC_DG06040,BMG_DG124949,CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H]([C@H]31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)OC(=O)C)OC)OC)O)COC,O(C)[C@@H]1[C@@]23[C@]4([C@](COC)(CN(CC)[C@@H]2[C@H]([C@@H]4OC)[C@@]5([C@@]6([C@H]3C[C@]([C@@H]6OC(=O)c7ccccc7)(O)[C@@H](OC)[C@@H]5O)[H])OC(=O)C)[C@H](O)C1)[H],"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1",XFSBVAOIAHNAPC-NPVHKAFCSA-N
BMGC_DG06041,BMG_DG124959,,C[C@]1(O)[C@@]2([C@]([C@@](C)(O)CC(=O)C(=C(C)C)C2)(CC1)[H])[H],,TXIKNNOOLCGADE-OSRDXIQISA-N
BMGC_DG06042,BMG_DG124980,,c1(-c2cc(O)cc(c2)O)c(cc(cc1O)O)O,,KICYRZIVKKYRFS-UHFFFAOYSA-N
BMGC_DG06043,BMG_DG124995,C1CN2C(=NC=C2C3=CC=CC=C3)CN1C(=O)C4=CC=C(S4)C(C(F)(F)F)(O)O,,"InChI=1S/C19H16F3N3O3S/c20-19(21,22)18(27,28)15-7-6-14(29-15)17(26)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10,27-28H,8-9,11H2",OFBFUNBBOQCNFX-UHFFFAOYSA-N
BMGC_DG06044,BMG_DG124996,,,,
BMGC_DG06045,BMG_DG124997,,,,
BMGC_DG06046,BMG_DG124998,,,,
BMGC_DG06047,BMG_DG124999,,,,
BMGC_DG06048,BMG_DG125000,,,,
BMGC_DG06049,BMG_DG125001,CCCCCCCC/C(=C\CCCCCCCC(=O)O)/[N+](=O)[O-],C(=C\CCCCCCCC(O)=O)(\CCCCCCCC)/[N+](=O)[O-],"InChI=1S/C18H33NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h15H,2-14,16H2,1H3,(H,20,21)/b17-15+",WRADPCFZZWXOTI-BMRADRMJSA-N
BMGC_DG06050,BMG_DG125018,,C(CN(CC=C)CC=C)c1c2ccccc2[nH]c1,,LQEATNFJCMVKAC-UHFFFAOYSA-N
BMGC_DG06051,BMG_DG125021,CC[C@@H](C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl,,"InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m1/s1",RAVIZVQZGXBOQO-CQSZACIVSA-N
BMGC_DG06052,BMG_DG125024,CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32,c1(c2c(cccc2)ccc1)CN(Cc3ccc(C(C)(C)C)cc3)C,"InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3",ABJKWBDEJIDSJZ-UHFFFAOYSA-N
BMGC_DG06053,BMG_DG125034,I,I,InChI=1S/HI/h1H,XMBWDFGMSWQBCA-UHFFFAOYSA-N
BMGC_DG06054,BMG_DG125057,CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)OCCO)O)O)O)O,,"InChI=1S/C29H52O21/c1-10-15(34)16(35)24(13(8-33)45-10)49-28-20(39)18(37)25(50-29-26(43-5-4-30)21(40)23(42-3)12(7-32)47-29)14(48-28)9-44-27-19(38)17(36)22(41-2)11(6-31)46-27/h10-40H,4-9H2,1-3H3",CWSZBVAUYPTXTG-UHFFFAOYSA-N
BMGC_DG06055,BMG_DG125065,CC(C)(C)[C@@]1(CCN2C[C@@H]3C4=CC=CC=C4CCC5=C3C(=CC=C5)[C@H]2C1)O,,"InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25+/m1/s1",ZZJYIKPMDIWRSN-RQTOMXEWSA-N
BMGC_DG06056,BMG_DG125082,CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3],,"InChI=1S/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3",HZHFFEYYPYZMNU-UHFFFAOYSA-K
BMGC_DG06057,BMG_DG125104,C1CC1C2=NC3=CC=CC=C3C(=C2/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C4=CC=C(C=C4)F,,"InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/p-1/b12-11+/t18-,19-/m1/s1",VGYFMXBACGZSIL-MCBHFWOFSA-M
BMGC_DG06058,BMG_DG125119,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)O,,"InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/p-1/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1",TUZYXOIXSAXUGO-PZAWKZKUSA-M
BMGC_DG06059,BMG_DG125121,,C(CCCCC)(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H](CO[C@H]1[C@@H]([C@@H](OC(C[C@@H](CCCCCCCCCCC)OC(CCCCC)=O)=O)[C@H](OP(=O)(O)O)[C@H](O1)CO)NC(C[C@@H](CCCCCCCCCCC)OC(CCCCC)=O)=O)C(=O)O,,PRIXXGNJDNLMBH-DPGPRPECSA-N
BMGC_DG06060,BMG_DG125125,C1[C@@H]([C@H](CN1CC(F)F)C(=O)NC2=NC=C(C=C2)Cl)C(=O)NC3=C(C=C(C=C3)N4C=CC=CC4=O)F,FC(CN1C[C@H](C(Nc2ccc(Cl)cn2)=O)[C@@H](C(Nc3c(F)cc(-n4ccccc4=O)cc3)=O)C1)F,"InChI=1S/C24H21ClF3N5O3/c25-14-4-7-21(29-10-14)31-24(36)17-12-32(13-20(27)28)11-16(17)23(35)30-19-6-5-15(9-18(19)26)33-8-2-1-3-22(33)34/h1-10,16-17,20H,11-13H2,(H,30,35)(H,29,31,36)/t16-,17-/m0/s1",DVMCMTVFXINJGW-IRXDYDNUSA-N
BMGC_DG06061,BMG_DG125127,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3],[O-]S(=O)([O-])=O.[Al+3].[O-]S(=O)([O-])=O.[O-]S(=O)([O-])=O.[Al+3],"InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",DIZPMCHEQGEION-UHFFFAOYSA-H
BMGC_DG06062,BMG_DG125132,C(CS(=O)(=O)O)[C@@H](CSSC[C@H](CCS(=O)(=O)O)N)N,S(SC[C@H](CCS(=O)(=O)O)N)C[C@H](CCS(=O)(=O)O)N,"InChI=1S/C8H20N2O6S4/c9-7(1-3-19(11,12)13)5-17-18-6-8(10)2-4-20(14,15)16/h7-8H,1-6,9-10H2,(H,11,12,13)(H,14,15,16)/t7-,8-/m0/s1",HJPXZXVKLGEMGP-YUMQZZPRSA-N
BMGC_DG06063,BMG_DG125133,,,,
BMGC_DG06064,BMG_DG125134,,,,
BMGC_DG06065,BMG_DG125147,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+],[Al+3].[K+].[O-]S(=O)([O-])=O.[O-]S(=O)([O-])=O,"InChI=1S/Al.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4",GRLPQNLYRHEGIJ-UHFFFAOYSA-J
BMGC_DG06066,BMG_DG125148,CC1=CSC(=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC5=C(C=CC=N5)C6=NC(=NC=C6)N,c1(nnc(c2ccccc12)-c3cc(cs3)C)Nc4ccc(cc4)Oc5c(cccn5)-c6nc(ncc6)N,"InChI=1S/C28H21N7OS/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23/h2-16H,1H3,(H,32,35)(H2,29,31,33)",IVUGFMLRJOCGAS-UHFFFAOYSA-N
BMGC_DG06067,BMG_DG125150,,,,
BMGC_DG06068,BMG_DG125151,,,,
BMGC_DG06069,BMG_DG125152,,Cc1ccc(C(=O)NC2CC2)cc1-c3ccc(C(=O)NCC4CC4)cc3,,BOPSUAHGQHFKGG-UHFFFAOYSA-N
BMGC_DG06070,BMG_DG125154,CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O,c1(nc2c(cn1)c(n(n2-c3cccc(n3)C(C)(C)O)CC=C)=O)Nc4ccc(cc4)N5CCN(CC5)C,"InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)",BKWJAKQVGHWELA-UHFFFAOYSA-N
BMGC_DG06071,BMG_DG125156,CC1=CC(=CC(=C1C2=CC=CC(=C2)COC3=CC4=C(C=C3)[C@@H](CO4)CC(=O)O)C)OCCCS(=O)(=O)C,Cc1c(-c2cc(COc3cc4c(cc3)[C@@H](CO4)CC(O)=O)ccc2)c(C)cc(c1)OCCCS(C)(=O)=O,"InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1",BZCALJIHZVNMGJ-HSZRJFAPSA-N
BMGC_DG06072,BMG_DG125159,,O=C(n1c(n(CCC(C)(O)C)c2c1cccc2)=O)N[C@@H](C(C)(C)C)C(N)=O,,GGNIFXBIJCNXCT-CQSZACIVSA-N
BMGC_DG06073,BMG_DG125160,CC(=C(C#N)C#N)C1=CC2=C(C=C1)C=C(C=C2)N(C)CCF,C(C(C#N)=C(C)c1cc2ccc(cc2cc1)N(C)CCF)#N,"InChI=1S/C18H16FN3/c1-13(17(11-20)12-21)14-3-4-16-10-18(22(2)8-7-19)6-5-15(16)9-14/h3-6,9-10H,7-8H2,1-2H3",IAVCEBMLYVGBLA-UHFFFAOYSA-N
BMGC_DG06074,BMG_DG125173,CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCN3CCCCC3)C)\C)CN4CCCCC4,[C@H]1([C@H]([C@@H]([C@H]([C@](O[C@H]2[C@H](C[C@H](C(/C=C/C(=C/[C@H](CN3CCCCC3)[C@@H](CC)OC(C[C@@H](O)[C@@H]2C)=O)/C)=O)C)CCN4CCCCC4)(O1)[H])O)N(C)C)O)C,"InChI=1S/C41H71N3O8/c1-8-35-32(26-44-20-13-10-14-21-44)23-27(2)15-16-33(45)28(3)24-31(17-22-43-18-11-9-12-19-43)40(29(4)34(46)25-36(47)51-35)52-41-39(49)37(42(6)7)38(48)30(5)50-41/h15-16,23,28-32,34-35,37-41,46,48-49H,8-14,17-22,24-26H2,1-7H3/b16-15+,27-23+/t28-,29+,30-,31+,32-,34-,35-,37+,38-,39-,40-,41+/m1/s1",HNDXPZPJZGTJLJ-UEJFNEDBSA-N
BMGC_DG06075,BMG_DG125174,,C1CCN(CCN1C(C)=O)CCCCC(Nc2n[nH]c(c2)-c3ccc(cc3)OC)=O,,LKMWIEHGNOUIAH-UHFFFAOYSA-N
BMGC_DG06076,BMG_DG125177,,,,
BMGC_DG06077,BMG_DG125185,,CC(=O)Nc1c[nH]nc1C(=O)Nc2ccc(F)cc2,,CWQKPKYIMQTGJK-UHFFFAOYSA-N
BMGC_DG06078,BMG_DG125186,,,,
BMGC_DG06079,BMG_DG125187,,,,
BMGC_DG06080,BMG_DG125188,,,,
BMGC_DG06081,BMG_DG125193,CNC1=NC2=CC(=C(C=C2C(=N1)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C(=O)OC)OC)OC,c1(c(cc2c(c1)c(nc(n2)NC)-c3cccc(c3)NC(c4ccc(cc4)C(OC)=O)=O)OC)OC,"InChI=1S/C26H24N4O5/c1-27-26-29-20-14-22(34-3)21(33-2)13-19(20)23(30-26)17-6-5-7-18(12-17)28-24(31)15-8-10-16(11-9-15)25(32)35-4/h5-14H,1-4H3,(H,28,31)(H,27,29,30)",BBTFKAOFCSOZMB-UHFFFAOYSA-N
BMGC_DG06082,BMG_DG125195,COC1=CC2=NC=CC(=C2C=C1)OCC3=NN=C4N3N=C(C=C4)C5=CC=CC=C5,c1c2nccc(OCc3n4c(nn3)ccc(-c5ccccc5)n4)c2ccc1OC,"InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3",HEAIZQNMNCHNFD-UHFFFAOYSA-N
BMGC_DG06083,BMG_DG125196,,C(c1c2c(n(n1)C(C)(C)C)ncnc2N)c3cc(C)ccc3,,FYCOTGCSHZKHPR-UHFFFAOYSA-N
BMGC_DG06084,BMG_DG125197,,,,
BMGC_DG06085,BMG_DG125200,,C1(O)(c2ccc(Cl)cc2)CCN(CCC[C@@H](O)c3ccc(F)cc3)CC1,,WNZBBTJFOIOEMP-HXUWFJFHSA-N
BMGC_DG06086,BMG_DG125201,CC[C@H](C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@@H]5CO[C@@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl,C([C@@]1(O[C@H](COc2ccc(cc2)N3CCN(CC3)c4ccc(cc4)-n5c(=O)n([C@H](CC)C)nc5)CO1)c6c(Cl)cc(Cl)cc6)n7cncn7,"InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25-,31+,35+/m0/s1",VHVPQPYKVGDNFY-ARROIKNCSA-N
BMGC_DG06087,BMG_DG125215,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]6CCCN6C(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]9CCCN9C(=O)[C@H](C)N,,"InChI=1S/C185H287N53O54S2/c1-20-92(10)144(175(286)228-125(84-137(190)248)164(275)215-115(64-75-294-19)159(270)222-121(78-90(6)7)167(278)232-145(98(16)239)176(287)219-116(33-24-68-203-185(198)199)178(289)236-71-27-36-131(236)170(281)216-110(32-23-67-202-184(196)197)154(265)220-118(147(191)258)79-100-39-47-104(241)48-40-100)231-168(279)123(81-102-43-51-106(243)52-44-102)225-155(266)109(31-22-66-201-183(194)195)211-153(264)108(30-21-65-200-182(192)193)212-162(273)119(76-88(2)3)223-166(277)127(86-142(256)257)221-150(261)95(13)205-148(259)94(12)207-160(271)122(80-101-41-49-105(242)50-42-101)224-158(269)111(55-59-134(187)245)210-149(260)96(14)206-152(263)114(63-74-293-18)214-156(267)112(56-60-135(188)246)213-157(268)113(57-61-139(250)251)217-171(282)132-37-29-73-238(132)181(292)146(99(17)240)233-151(262)97(15)208-161(272)124(83-136(189)247)226-165(276)126(85-141(254)255)209-138(249)87-204-169(280)129-34-25-70-235(129)180(291)128(82-103-45-53-107(244)54-46-103)229-174(285)143(91(8)9)230-173(284)133-38-28-72-237(133)179(290)117(58-62-140(252)253)218-163(274)120(77-89(4)5)227-172(283)130-35-26-69-234(130)177(288)93(11)186/h39-54,88-99,108-133,143-146,239-244H,20-38,55-87,186H2,1-19H3,(H2,187,245)(H2,188,246)(H2,189,247)(H2,190,248)(H2,191,258)(H,204,280)(H,205,259)(H,206,263)(H,207,271)(H,208,272)(H,209,249)(H,210,260)(H,211,264)(H,212,273)(H,213,268)(H,214,267)(H,215,275)(H,216,281)(H,217,282)(H,218,274)(H,219,287)(H,220,265)(H,221,261)(H,222,270)(H,223,277)(H,224,269)(H,225,266)(H,226,276)(H,227,283)(H,228,286)(H,229,285)(H,230,284)(H,231,279)(H,232,278)(H,233,262)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H4,192,193,200)(H4,194,195,201)(H4,196,197,202)(H4,198,199,203)/t92-,93-,94-,95-,96-,97-,98+,99+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,143-,144-,145-,146-/m0/s1",HFDKKNHCYWNNNQ-YOGANYHLSA-N
BMGC_DG06088,BMG_DG125216,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N,,"InChI=1S/C189H285N55O57S/c1-15-93(7)148(179(295)234-128(81-140(193)254)168(284)226-123(74-92(5)6)171(287)239-149(94(8)16-2)180(296)240-150(99(13)247)181(297)222-115(31-22-67-208-189(202)203)156(272)220-117(56-59-139(192)253)161(277)218-113(29-20-65-206-187(198)199)157(273)224-121(151(195)267)76-101-38-48-107(249)49-39-101)238-172(288)126(79-104-44-54-110(252)55-45-104)229-167(283)127(80-105-86-204-90-210-105)230-159(275)114(30-21-66-207-188(200)201)219-164(280)122(73-91(3)4)225-154(270)96(10)212-173(289)133(88-245)236-166(282)125(78-103-42-52-109(251)53-43-103)228-165(281)124(77-102-40-50-108(250)51-41-102)227-158(274)112(28-19-64-205-186(196)197)216-152(268)95(9)211-155(271)119(62-72-302-14)221-169(285)130(84-146(263)264)232-162(278)118(58-61-144(259)260)217-153(269)97(11)213-176(292)136-33-24-68-241(136)182(298)98(12)214-163(279)129(83-145(261)262)231-160(276)116(57-60-143(257)258)215-142(256)87-209-175(291)135-32-23-70-243(135)185(301)132(82-141(194)255)235-170(286)131(85-147(265)266)233-177(293)138-35-26-71-244(138)184(300)120(27-17-18-63-190)223-174(290)134(89-246)237-178(294)137-34-25-69-242(137)183(299)111(191)75-100-36-46-106(248)47-37-100/h36-55,86,90-99,111-138,148-150,245-252H,15-35,56-85,87-89,190-191H2,1-14H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,271)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,268)(H,217,269)(H,218,277)(H,219,280)(H,220,272)(H,221,285)(H,222,297)(H,223,290)(H,224,273)(H,225,270)(H,226,284)(H,227,274)(H,228,281)(H,229,283)(H,230,275)(H,231,276)(H,232,278)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,148-,149-,150-/m0/s1",XKWCTHKJQNUFOQ-HRPSIEBRSA-N
BMGC_DG06089,BMG_DG125230,O=Cl[O],Cl(=O)=O,InChI=1S/ClO2/c2-1-3,OSVXSBDYLRYLIG-UHFFFAOYSA-N
BMGC_DG06090,BMG_DG125248,,,,
BMGC_DG06091,BMG_DG125249,,,,
BMGC_DG06092,BMG_DG125250,,n12nc(ccc1nnc2[C@H](c3cc4c(nccc4)cc3)C)-c5cn(nc5)C,,VQYHPUHKYSSEOB-ZDUSSCGKSA-N
BMGC_DG06093,BMG_DG125256,CNC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C#N)C(F)(F)F)F,C(c1c(cc(cc1)N2C3(CCC3)C(N(C2=S)c4cnc(c(c4)C(F)(F)F)C#N)=O)F)(=O)NC,"InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)",HJBWBFZLDZWPHF-UHFFFAOYSA-N
BMGC_DG06094,BMG_DG125262,CC1=C(C=CC2=C1N=C(C=C2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC,CN1C(=O)[C@]2([H])C[C@H](Oc3c4ccc(OC)c(C)c4nc(-c5scc(C(C)C)n5)c3)C[C@@]2([H])C(=O)N[C@]6(C(=O)NS(=O)(C7CC7)=O)C[C@H]6/C=C\CCCC1,"InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1",JTZZSQYMACOLNN-VDWJNHBNSA-N
BMGC_DG06095,BMG_DG125274,C[C@@H]1[C@H]([C@H](C(=C(C1=O)OC)OC)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C,C1(C(=C([C@@H]([C@@H]([C@H]1C)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)OC)OC)=O,"InChI=1S/C24H38O4/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-20-19(5)21(25)23(27-6)24(28-7)22(20)26/h10,12,14,19-20,22,26H,8-9,11,13,15H2,1-7H3/b17-12+,18-14+/t19-,20-,22-/m1/s1",LJTSIMVOOOLKOL-FNRDIUJOSA-N
BMGC_DG06096,BMG_DG125276,,,,
BMGC_DG06097,BMG_DG125277,,,,
BMGC_DG06098,BMG_DG125279,,Cc1cc(NC(=O)Nc2ncc(CCNc3cc(Nc4ncn[nH]4)ncn3)s2)c(C(F)(F)F)o1,,KNTGXMNWVXZIMW-UHFFFAOYSA-N
BMGC_DG06099,BMG_DG125282,,,,
BMGC_DG06100,BMG_DG125286,[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3],O(P(=O)([O-])[O-])P([O-])(=O)[O-].[Fe+3].O(P(=O)([O-])[O-])P([O-])(=O)[O-].O(P(=O)([O-])[O-])P([O-])(=O)[O-].[Fe+3].[Fe+3].[Fe+3],"InChI=1S/4Fe.3H4O7P2/c;;;;3*1-8(2,3)7-9(4,5)6/h;;;;3*(H2,1,2,3)(H2,4,5,6)/q4*+3;;;/p-12",CADNYOZXMIKYPR-UHFFFAOYSA-B
BMGC_DG06101,BMG_DG125288,,N1C([C@@]2(c3cc(c(cc13)Cl)F)[C@H](N[C@H]([C@@H]2c4cc(ccc4)Cl)C(=O)NCC[C@@H](CO)O)CC(C)(C)C)=O,,UNXQGBMZYKHQCO-NVHWNKAKSA-N
BMGC_DG06102,BMG_DG125294,,,,
BMGC_DG06103,BMG_DG125295,,,,
BMGC_DG06104,BMG_DG125302,,,,
BMGC_DG06105,BMG_DG125303,,c1(cc(cc(c1)N(S(=O)(=O)C)C)C(=O)N[C@H](C)c2ccccc2)C(=O)N[C@H]([C@@H](CNCc3cc(ccc3)OC)O)Cc4ccccc4,,HIQWWDCRULXYDF-SWROZOJRSA-N
BMGC_DG06106,BMG_DG125308,,C=CCc1cc(ccc1OCC(=O)O)Cl,,SUGLMNNOLUZPQE-UHFFFAOYSA-N
BMGC_DG06107,BMG_DG125312,,c1(cc(ccn1)-c2cc3c(s2)cccc3)C(=O)N[C@@H]4C[C@H](CC4)n5cc(c(nc5=O)N)F,,YBTIDKMFVSZULE-HOTGVXAUSA-N
BMGC_DG06108,BMG_DG125314,C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@@H](C3)C(=C)C4)C)CO,,"InChI=1S/C20H32O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h15-17,21H,1,4-13H2,2-3H3/t15-,16+,17-,18-,19+,20+/m0/s1",TUJQVRFWMWRMIO-GNVSMLMZSA-N
BMGC_DG06109,BMG_DG125337,,,,
BMGC_DG06110,BMG_DG125339,,,,
BMGC_DG06111,BMG_DG125340,,,,
BMGC_DG06112,BMG_DG125343,C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC/2CC3C(C(CC(O3)(CC(CC(CCCC(CC(CC(=O)CC(=O)OC(C(/C=C\C=C\C=C\C=C\C=C\C=C\C=C2)C)C(C)CCC(CC(=O)C4=CC=C(C=C4)N)O)O)O)O)O)O)O)C(=O)O)O)N)O.C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC\2CC3C(C(CC(O3)(CC(CC(CC(CC(CCCC(=O)CC(=O)OC(C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C2)C)C(C)CCC(CC(=O)C4=CC=C(C=C4)N)O)O)O)O)O)O)O)C(=O)O)O)N)O,,"InChI=1S/2C58H84N2O18/c1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)29-44(65)28-43(64)27-40(61)18-16-19-41(62)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38;1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)28-41(62)19-16-18-40(61)27-43(64)29-44(65)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38/h4-15,17,20,22-25,35-37,40,42-46,48-49,51-55,57,61,63-66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73);4-15,17,20,22-25,35-37,40-43,45-46,48-49,51-55,57,61-64,66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73)/b5-4+,8-6+,9-7+,12-10+,13-11+,17-14+,20-15+;5-4+,8-6+,9-7+,12-10+,13-11+,17-14-,20-15+/t35?,36?,37-,40?,42?,43?,44?,45?,46?,48?,49?,51?,52+,53-,54+,55?,57+,58?;35?,36?,37-,40?,41?,42?,43?,45?,46?,48?,49?,51?,52+,53-,54+,55?,57+,58?/m11/s1",RZWQQZWPVPHLSY-RIINAYHCSA-N
BMGC_DG06113,BMG_DG125367,,Oc1c(c2c(c(c1)O)c(=O)cc(o2)-c3c(Cl)cccc3)[C@@H]4[C@@H](CO)N(CC4)C,,QLUYMIVVAYRECT-GXTWGEPZSA-N
BMGC_DG06114,BMG_DG125369,CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)N,[nH]1c(c(CCNCc2ccc(/C=C/C(=O)N)cc2)c3c1cccc3)C,"InChI=1S/C21H23N3O/c1-15-18(19-4-2-3-5-20(19)24-15)12-13-23-14-17-8-6-16(7-9-17)10-11-21(22)25/h2-11,23-24H,12-14H2,1H3,(H2,22,25)/b11-10+",VOZMMIFGJRFSNT-ZHACJKMWSA-N
BMGC_DG06115,BMG_DG125372,CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3,CC(c1onc(NC(Nc2ccc(-c3cn4c5ccc(OCCN6CCOCC6)cc5sc4n3)cc2)=O)c1)(C)C,"InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)",CVWXJKQAOSCOAB-UHFFFAOYSA-N
BMGC_DG06116,BMG_DG125384,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-][C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3],,"InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1",OAJLVMGLJZXSGX-QRVZQHAISA-L
BMGC_DG06117,BMG_DG125390,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],[C-]#N.[Co+3].[C@@]12([C@]([C@@H](C(=N1)/C(/C)=C3/[C@]([C@@H](C(=N3)/C=C/4N=C([C@H](C4(C)C)CCC(=O)N)/C(=C\5/[C@@]([C@H](C2[N-]5)CC(=O)N)(CCC(NC[C@H](OP(O[C@H]6[C@H]([C@@H](n7cnc8c7cc(c(c8)C)C)O[C@@H]6CO)O)([O-])=O)C)=O)C)/C)CCC(=O)N)(CC(=O)N)C)CCC(=O)N)(CC(=O)N)C)C,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1",FDJOLVPMNUYSCM-UVKKECPRSA-L
BMGC_DG06118,BMG_DG125397,[CH3-].CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3],,"InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1",ZFLASALABLFSNM-UVKKECPRSA-L
BMGC_DG06119,BMG_DG125398,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co+2],,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+2;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1",DQOCFCZRZOAIBN-UVKKECPRSA-L
BMGC_DG06120,BMG_DG125415,,,,
BMGC_DG06121,BMG_DG125416,,C([C@@](COc1cc(c(cc1)Cl)F)(C)O)(=O)Nc2cc(c(cc2)C#N)C(F)(F)F,,SSFVOEAXHZGTRJ-KRWDZBQOSA-N
BMGC_DG06122,BMG_DG125417,,,,
BMGC_DG06123,BMG_DG125421,CCN(CC)CC(C)OC(=O)[C@H]1CCCC[C@@]1(C2CCCCC2)O,N(CC(OC(=O)[C@H]1CCCC[C@@]1(C2CCCCC2)O)C)(CC)CC,"InChI=1S/C20H37NO3/c1-4-21(5-2)15-16(3)24-19(22)18-13-9-10-14-20(18,23)17-11-7-6-8-12-17/h16-18,23H,4-15H2,1-3H3/t16?,18-,20+/m1/s1",XPYLKZZOBVLVHB-QDKIRNHSSA-N
BMGC_DG06124,BMG_DG125434,,,,
BMGC_DG06125,BMG_DG125435,,CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc13)CN(C5CCOCC5)CC2,,UCMNIYFDRVBMFV-UHFFFAOYSA-N
BMGC_DG06126,BMG_DG125437,,,,
BMGC_DG06127,BMG_DG125438,,,,
BMGC_DG06128,BMG_DG125439,,,,
BMGC_DG06129,BMG_DG125440,,,,
BMGC_DG06130,BMG_DG125441,,,,
BMGC_DG06131,BMG_DG125442,,,,
BMGC_DG06132,BMG_DG125443,,,,
BMGC_DG06133,BMG_DG125451,CNC1=NC(=C(C=C1)C2=CC3=C(O2)C=CC(=C3)O)F,o1c(cc2c1ccc(c2)O)-c3c(nc(cc3)NC)F,"InChI=1S/C14H11FN2O2/c1-16-13-5-3-10(14(15)17-13)12-7-8-6-9(18)2-4-11(8)19-12/h2-7,18H,1H3,(H,16,17)",MYNQXTDIPMCJCR-UHFFFAOYSA-N
BMGC_DG06134,BMG_DG125465,C[N+](C)(C)CC=O,O=CC[N+](C)(C)C,"InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1",SXKNCCSPZDCRFD-UHFFFAOYSA-N
BMGC_DG06135,BMG_DG125467,,O(C)CCCS(c1ccc(cc1)-c2ccc(cc2)CCN3CCC[C@H]3C)(=O)=O,,ADRZQEOBUFIYAZ-LJQANCHMSA-N
BMGC_DG06136,BMG_DG125468,,Oc1ccc(Cc2nnc3ccc(-c4ccccc4)nn23)cc1,,ZGJYGQLGSXWEMY-UHFFFAOYSA-N
BMGC_DG06137,BMG_DG125469,,Fc1cc(ccc1Oc2c3c(ncc2)cc(s3)-c4ncn(c4)C)NC(=S)NC(Cc5ccccc5)=O,,UFICVEHDQUKCEA-UHFFFAOYSA-N
BMGC_DG06138,BMG_DG125470,,,,
BMGC_DG06139,BMG_DG125475,,c12c(cc(Br)cc1)cc[nH]2,,VXWVFZFZYXOBTA-UHFFFAOYSA-N
BMGC_DG06140,BMG_DG125476,,Nc1c2c(ncn1)n(nc2-c3cc4c(nc3)[nH]cc4)C5CCCC5,,NVRXTLZYXZNATH-UHFFFAOYSA-N
BMGC_DG06141,BMG_DG125477,,CC(C)n1nc(-c2cccc(O)c2)c3c(N)ncnc13,,MWYBBCLGEHZSCP-UHFFFAOYSA-N
BMGC_DG06142,BMG_DG125478,,,,
BMGC_DG06143,BMG_DG125479,,,,
BMGC_DG06144,BMG_DG125480,,,,
BMGC_DG06145,BMG_DG125483,C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O,[C@@](CN)(c1ccc(cc1)Cl)(c2ccc(cc2)-c3cn[nH]c3)O,"InChI=1S/C17H16ClN3O/c18-16-7-5-15(6-8-16)17(22,11-19)14-3-1-12(2-4-14)13-9-20-21-10-13/h1-10,22H,11,19H2,(H,20,21)/t17-/m0/s1",IIRWNGPLJQXWFJ-KRWDZBQOSA-N
BMGC_DG06146,BMG_DG125499,,NNC(=O)c1ccccc1S(N)(=O)=O,,YWPOXIABDFDDSR-UHFFFAOYSA-N
BMGC_DG06147,BMG_DG125509,,,,
BMGC_DG06148,BMG_DG125522,,O=C1C(Cc2c1cccc2)C,,BEKNOGMQVKBMQN-UHFFFAOYSA-N
BMGC_DG06149,BMG_DG125523,C1=CC=C(C=C1)C2=CC=CC=C2Cl,c1(c(cccc1)Cl)-c2ccccc2,InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,LAXBNTIAOJWAOP-UHFFFAOYSA-N
BMGC_DG06150,BMG_DG125532,[O-][Se](=O)[O-].[Na+].[Na+],[Se]([O-])([O-])=O.[Na+].[Na+],"InChI=1S/2Na.H2O3Se/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",BVTBRVFYZUCAKH-UHFFFAOYSA-L
BMGC_DG06151,BMG_DG125554,,,,
BMGC_DG06152,BMG_DG125555,,,,
BMGC_DG06153,BMG_DG125556,,,,
BMGC_DG06154,BMG_DG125557,,,,
BMGC_DG06155,BMG_DG125558,,,,
BMGC_DG06156,BMG_DG125559,,,,
BMGC_DG06157,BMG_DG125560,,C(c1c(ccc(c1)N)C)(=O)N[C@H](C)c2cccc3ccccc23,,UVERBUNNCOKGNZ-CQSZACIVSA-N
BMGC_DG06158,BMG_DG125561,,,,
BMGC_DG06159,BMG_DG125572,CCCSC1=C(C=CC(=N1)N2CCC[C@H](C2)CC(=O)O)C(=O)NC3CCCCC3,N1(C[C@@H](CCC1)CC(=O)O)c2ccc(c(n2)SCCC)C(=O)NC3CCCCC3,"InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1",NCDZABJPWMBMIQ-INIZCTEOSA-N
BMGC_DG06160,BMG_DG125573,C[C@@H](C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)F,c1c(cc(F)c(n1)N2CCN(CC2)C(c3cc(ccc3O[C@@H](C)C(F)(F)F)S(C)(=O)=O)=O)C(F)(F)F,"InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1",YUUGYIUSCYNSQR-LBPRGKRZSA-N
BMGC_DG06161,BMG_DG125587,CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO,,"InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)",WWGBHDIHIVGYLZ-UHFFFAOYSA-N
BMGC_DG06162,BMG_DG125588,,N(Cc1ccc(cc1)I)CCCC[C@@H](C(O)=O)NC(N[C@H](C(O)=O)CCC(O)=O)=O,,OXUUJYOSVPMNKP-GJZGRUSLSA-N
BMGC_DG06163,BMG_DG125596,,OC([C@@H](NC(N[C@H](C(O)=O)CCCCNC(Nc1ccc(cc1)I)=O)=O)CCC(=O)O)=O,,LFEGKCKGGNXWDV-KBPBESRZSA-N
BMGC_DG06164,BMG_DG125597,CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=CC=C3)N=C2[C@@H](C)N(CC4=CN=CC=C4)C(=O)CC5=CC=C(C=C5)OC(F)(F)F,c1(ccc(cc1)OC(F)(F)F)CC(=O)N(Cc2cnccc2)[C@H](C)c3nc4c(c(n3-c5ccc(cc5)OCC)=O)cccn4,"InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1",WQTKNBPCJKRYPA-OAQYLSRUSA-N
BMGC_DG06165,BMG_DG125600,C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N,c1(cccc2c1nn(c2)-c3ccc(cc3)[C@H]4CNCCC4)C(=O)N,"InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1",PCHKPVIQAHNQLW-CQSZACIVSA-N
BMGC_DG06166,BMG_DG125602,,O=C(Nc1c(cccc1)Oc2n(nc(c2)C)-c3c(cccc3)Cl)Nc4ccc(cc4)OC(F)(F)F,,SAIPZPCGTLOMFE-UHFFFAOYSA-N
BMGC_DG06167,BMG_DG125610,,,,
BMGC_DG06168,BMG_DG125611,,,,
BMGC_DG06169,BMG_DG125612,,,,
BMGC_DG06170,BMG_DG125613,,,,
BMGC_DG06171,BMG_DG125614,,,,
BMGC_DG06172,BMG_DG125615,,,,
BMGC_DG06173,BMG_DG125616,,,,
BMGC_DG06174,BMG_DG125617,CN1C2=C(C(=C(C1=O)F)NC3=C(C=C(C=C3)I)F)C(=O)N(C=N2)C[C@H](CO)O,c1nc2c(c(n1C[C@H](CO)O)=O)c(c(c(n2C)=O)F)Nc3c(cc(cc3)I)F,"InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1",RCLQNICOARASSR-SECBINFHSA-N
BMGC_DG06175,BMG_DG125618,CCCOCCN1C2=CC(=NC=C2N=C(C1=O)N3CCN(CC3)CCO)C4=CN=C(C=C4)OC,c12c(n(c(c(n1)N3CCN(CC3)CCO)=O)CCOCCC)cc(nc2)-c4cnc(cc4)OC,"InChI=1S/C24H32N6O4/c1-3-13-34-14-11-30-21-15-19(18-4-5-22(33-2)26-16-18)25-17-20(21)27-23(24(30)32)29-8-6-28(7-9-29)10-12-31/h4-5,15-17,31H,3,6-14H2,1-2H3",MNLNAGRCHNMKKJ-UHFFFAOYSA-N
BMGC_DG06176,BMG_DG125623,C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N,C1C(CC1)(c2ccc(-c3nc4ccn5c(c4cc3-c6ccccc6)n[nH]c5=O)cc2)N,"InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)",ULDXWLCXEDXJGE-UHFFFAOYSA-N
BMGC_DG06177,BMG_DG125624,CC1=CN(C2=C1C(=CC(=C2)C(=O)N3CCC4(CC3)CC(=O)C5=C(O4)C=CC(=C5)C6=CC(=CN=C6)C(=O)O)OC)C7CC7,,"InChI=1S/C33H31N3O6/c1-19-18-36(24-4-5-24)26-13-21(14-29(41-2)30(19)26)31(38)35-9-7-33(8-10-35)15-27(37)25-12-20(3-6-28(25)42-33)22-11-23(32(39)40)17-34-16-22/h3,6,11-14,16-18,24H,4-5,7-10,15H2,1-2H3,(H,39,40)",WDBNGXLHMZSUEI-UHFFFAOYSA-N
BMGC_DG06178,BMG_DG125628,C[C@@H]1CCN(CCN1C(=O)C2=C(C=CC(=C2)C)N3N=CC=N3)C4=NC5=C(O4)C=CC(=C5)Cl,n1(nccn1)-c2c(cc(cc2)C)C(=O)N3CCN(c4oc5c(n4)cc(cc5)Cl)CC[C@H]3C,"InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1",JYTNQNCOQXFQPK-MRXNPFEDSA-N
BMGC_DG06179,BMG_DG125631,CC1=NC2=CC=CC(=C2C(=O)N1C3CCC(=O)NC3=O)N,N1C(C(CCC1=O)n2c(nc3cccc(c3c2=O)N)C)=O,"InChI=1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)",RSNPAKAFCAAMBH-UHFFFAOYSA-N
BMGC_DG06180,BMG_DG125641,,CC(C)Nc1cc(Cl)nc2c(C#N)cnn12,,HFTLYNKTSANXFA-UHFFFAOYSA-N
BMGC_DG06181,BMG_DG125642,,,,
BMGC_DG06182,BMG_DG125643,,Sc1cccc(-c2cnc[nH]2)c1,,GZDISEVTMUIDGB-UHFFFAOYSA-N
BMGC_DG06183,BMG_DG125663,,,,
BMGC_DG06184,BMG_DG125674,CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C,C(C1=C(CCC(C1)(C)C)c2ccc(cc2)Cl)N3CCN(CC3)c4ccc(cc4)C(NS(=O)(=O)c5cc(c(cc5)N[C@H](CCN6CCOCC6)CSc7ccccc7)S(C(F)(F)F)(=O)=O)=O,"InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1",JLYAXFNOILIKPP-KXQOOQHDSA-N
BMGC_DG06185,BMG_DG125683,CC[C@@H]([C@@H](C)O)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CN=C(C=C3C)C,n1c(c2c(nc1N[C@H]([C@@H](C)O)CC)n(cn2)C(C)C)NCc3cnc(cc3C)C,"InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27)/t15-,17+/m1/s1",DLPIYBKBHMZCJI-WBVHZDCISA-N
BMGC_DG06186,BMG_DG125691,CN1C(=CC=N1)C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C(=O)N,C1CC(CCO1)(c2cc(ccc2)Sc3ccc(cc3)-c4ccnn4C)C(=O)N,"InChI=1S/C22H23N3O2S/c1-25-20(9-12-24-25)16-5-7-18(8-6-16)28-19-4-2-3-17(15-19)22(21(23)26)10-13-27-14-11-22/h2-9,12,15H,10-11,13-14H2,1H3,(H2,23,26)",DVNQWYLVSNPCJZ-UHFFFAOYSA-N
BMGC_DG06187,BMG_DG125692,COC1=CC=CC(=C1)C2=CC(=C(C(=C2)F)NC3=C(C=CC=N3)C(=O)O)F,c1(Nc2c(cccn2)C(O)=O)c(F)cc(-c3cccc(OC)c3)cc1F,"InChI=1S/C19H14F2N2O3/c1-26-13-5-2-4-11(8-13)12-9-15(20)17(16(21)10-12)23-18-14(19(24)25)6-3-7-22-18/h2-10H,1H3,(H,22,23)(H,24,25)",OMPATGZMNFWVOH-UHFFFAOYSA-N
BMGC_DG06188,BMG_DG125697,CCCC[C@@]1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=CC(=CC=C3)NC(=O)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)O)O)OCC5=CC=CC=C5)O)CC,S(=O)(=O)(OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)Nc2cc(ccc2)[C@@H]3c4c(S(C[C@@]([C@@H]3O)(CC)CCCC)(=O)=O)ccc(c4)N(C)C)O)OCc5ccccc5)O)O,"InChI=1S/C38H51N3O12S2/c1-5-7-18-38(6-2)23-54(46,47)30-17-16-27(41(3)4)20-28(30)31(35(38)44)25-14-11-15-26(19-25)39-37(45)40-36-33(43)34(51-21-24-12-9-8-10-13-24)32(42)29(53-36)22-52-55(48,49)50/h8-17,19-20,29,31-36,42-44H,5-7,18,21-23H2,1-4H3,(H2,39,40,45)(H,48,49,50)/t29-,31-,32-,33-,34+,35-,36-,38-/m1/s1",ULVBLFBUTQMAGZ-RTNCXNSASA-N
BMGC_DG06189,BMG_DG125701,CC(C)OC1=C(C=C(C=N1)C2=NC(=NO2)C3=C4C=CN(C4=CC=C3)CCCC(=O)O)Cl,n1(ccc2c(cccc12)-c3noc(n3)-c4cnc(c(c4)Cl)OC(C)C)CCCC(=O)O,"InChI=1S/C22H21ClN4O4/c1-13(2)30-22-17(23)11-14(12-24-22)21-25-20(26-31-21)16-5-3-6-18-15(16)8-10-27(18)9-4-7-19(28)29/h3,5-6,8,10-13H,4,7,9H2,1-2H3,(H,28,29)",NFIGDBFIDKDNIG-UHFFFAOYSA-N
BMGC_DG06190,BMG_DG125702,C1CN(CCC1OC2=C(C=CC(=C2)F)Br)C3=NOC(=C3)C4=NN(N=N4)CC(=O)O,C(Cn1nc(nn1)-c2cc(no2)N3CCC(CC3)Oc4c(ccc(c4)F)Br)(=O)O,"InChI=1S/C17H16BrFN6O4/c18-12-2-1-10(19)7-13(12)28-11-3-5-24(6-4-11)15-8-14(29-22-15)17-20-23-25(21-17)9-16(26)27/h1-2,7-8,11H,3-6,9H2,(H,26,27)",UJEAABFSXKCSGI-UHFFFAOYSA-N
BMGC_DG06191,BMG_DG125705,,c1(cnc(N)nc1)C(=O)NC=2N3CCN=C3c4c(c(c(cc4)OCCCN5CCOCC5)OC)N2,,PZBCKZWLPGJMAO-UHFFFAOYSA-N
BMGC_DG06192,BMG_DG125713,CC(C)C1=CC(=NC(=N1)N)N2CC[C@H](C2)N,c1(nc(cc(n1)C(C)C)N2C[C@@H](CC2)N)N,"InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1",COOGVHJHSCBOQT-MRVPVSSYSA-N
BMGC_DG06193,BMG_DG125715,C1=CC(=CC(=C1)Cl)NC(=O)NC2=NC=C(S2)CCNC3=NC=NC4=C3SC=C4,c1nc(sc1CCNc2c3c(ncn2)ccs3)NC(=O)Nc4cc(Cl)ccc4,"InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)",FAYAUAZLLLJJGH-UHFFFAOYSA-N
BMGC_DG06194,BMG_DG125716,CC(C)C1=NOC(=N1)N2CCC(CC2)COC3=CN=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C,c1cc(cnc1-c2ccc(cc2)S(=O)(=O)C)OCC3CCN(CC3)c4onc(n4)C(C)C,"InChI=1S/C23H28N4O4S/c1-16(2)22-25-23(31-26-22)27-12-10-17(11-13-27)15-30-19-6-9-21(24-14-19)18-4-7-20(8-5-18)32(3,28)29/h4-9,14,16-17H,10-13,15H2,1-3H3",AYJRTVVIBJSSKN-UHFFFAOYSA-N
BMGC_DG06195,BMG_DG125719,,CCc1cc2c(cc1Cn3c(C(=O)O)c(Cc4cccc(C(=O)O)c4)c(=O)c5cc(O)ccc35)OCO2,,FFJSPULNDJGPKT-UHFFFAOYSA-N
BMGC_DG06196,BMG_DG125728,C1CC2(CCC1C3=CC=C(C=C3)OCCN4CCOCC4)OC5(C6CC7CC(C6)CC5C7)OO2,N1(CCOCC1)CCOc2ccc(cc2)[C@H]3CC[C@@]4(CC3)OO[C@@]5(C6CC7CC5CC(C6)C7)O4,"InChI=1S/C28H39NO5/c1-3-26(31-14-11-29-9-12-30-13-10-29)4-2-22(1)23-5-7-27(8-6-23)32-28(34-33-27)24-16-20-15-21(18-24)19-25(28)17-20/h1-4,20-21,23-25H,5-19H2",XLCNVWUKICLURR-WMORPJFDSA-N;XLCNVWUKICLURR-UHFFFAOYSA-N
BMGC_DG06197,BMG_DG125729,,n1c(ccc2cc(ccc12)C(=O)N[C@@H](c3ccccc3)C(N(C)Cc4ccc(cc4)F)=O)NC(=O)c5c(cccc5)-c6ccc(cc6)OC(C)C,,HMTLPJFACYNTHS-KDXMTYKHSA-N
BMGC_DG06198,BMG_DG125740,,C(c1ccc(cc1)C2(CC2)NC(=O)c3cccc4ccn(c34)Cc5ccc(cc5)C(F)(F)F)(=O)O,,BWXAZFCPGFKANL-UHFFFAOYSA-N
BMGC_DG06199,BMG_DG125745,,c1(nc(CN2CCN(CC(N)=O)CC2)on1)-c3cn(CC4CCOCC4)c5c(Cl)cccc53,,AKWUNZFZIXEOPV-UHFFFAOYSA-N
BMGC_DG06200,BMG_DG125746,CC(C)(C)C1=C(C=NN1C2=CC=C(C=C2)C(=O)O)C(=O)NC3C4CC5CC(C4)CC3C5,C(c1ccc(cc1)-n2ncc(c2C(C)(C)C)C(NC3C4CC5CC(CC3C5)C4)=O)(=O)O,"InChI=1S/C25H31N3O3/c1-25(2,3)22-20(13-26-28(22)19-6-4-16(5-7-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h4-7,13-15,17-18,21H,8-12H2,1-3H3,(H,27,29)(H,30,31)",XWBXJBSVYVJAMZ-UHFFFAOYSA-N
BMGC_DG06201,BMG_DG125752,C1CN(C[C@H]([C@H]1NCC2=CC3=C(C=N2)OCCO3)F)CCN4C(=O)C=CC5=C4C=C(C=C5)C#N,n1cc2OCCOc2cc1CN[C@H]3CCN(C[C@H]3F)CCn4c(ccc5c4cc(cc5)C#N)=O,"InChI=1S/C25H26FN5O3/c26-20-16-30(7-8-31-22-11-17(13-27)1-2-18(22)3-4-25(31)32)6-5-21(20)29-14-19-12-23-24(15-28-19)34-10-9-33-23/h1-4,11-12,15,20-21,29H,5-10,14,16H2/t20-,21+/m1/s1",JYJKOWWSKTWAJA-RTWAWAEBSA-N
BMGC_DG06202,BMG_DG125784,,,,
BMGC_DG06203,BMG_DG125785,,,,
BMGC_DG06204,BMG_DG125786,,,,
BMGC_DG06205,BMG_DG125787,,,,
BMGC_DG06206,BMG_DG125788,,,,
BMGC_DG06207,BMG_DG125789,,,,
BMGC_DG06208,BMG_DG125790,,O([C@@H]([C@@H](NC(=O)C1CC1)C)c2ccc(OC)nc2)c3cc4c(n(nc4)-c5ccc(F)cc5)cc3,,YDRQCGICZKAGCQ-LMKMVOKYSA-N
BMGC_DG06209,BMG_DG125791,CC1=C(C=C(C=C1)CO)N(C)C2=NC(=NC=C2)NC3=CC(=CC(=C3)S(=O)(=O)C)N4CCOCC4,,"InChI=1S/C24H29N5O4S/c1-17-4-5-18(16-30)12-22(17)28(2)23-6-7-25-24(27-23)26-19-13-20(29-8-10-33-11-9-29)15-21(14-19)34(3,31)32/h4-7,12-15,30H,8-11,16H2,1-3H3,(H,25,26,27)",IVWHSTCJCURGMH-UHFFFAOYSA-N
BMGC_DG06210,BMG_DG125792,CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)NNC(=O)OCCSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)NCC1=CN=C2C(=N1)C(=O)NC(=N2)N)O)O)CC)OC)C(=O)OC)O,C(C[C@H](NC(CC[C@H](NC(c1ccc(NCc2cnc3c(n2)c([nH]c(n3)N)=O)cc1)=O)C(O)=O)=O)C(N[C@H](C(N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CSSCCOC(NNC([C@]4([C@@H]([C@]5([C@]6([C@@]7([C@]4(N(c8cc(c(cc87)[C@@]9(c%10[nH]c%11ccccc%11c%10CC[N@]%12C[C@](C[C@@H](C9)C%12)(O)CC)C(=O)OC)OC)C)[H])CCN6CC=C5)[H])CC)O)O)=O)=O)C(=O)O)=O)CCCNC(N)=N)=O)(O)=O,"InChI=1S/C86H109N21O26S2/c1-6-82(129)35-42-36-85(78(127)132-5,64-47(21-26-106(39-42)41-82)46-12-8-9-13-50(46)95-64)49-30-48-57(34-58(49)131-4)105(3)75-84(48)23-27-107-25-11-22-83(7-2,74(84)107)76(125)86(75,130)77(126)103-104-81(128)133-28-29-134-135-40-56(73(123)124)100-70(119)55(33-62(113)114)99-69(118)54(32-61(111)112)98-67(116)51(14-10-24-90-79(87)88)96-68(117)53(31-60(109)110)94-59(108)20-19-52(72(121)122)97-66(115)43-15-17-44(18-16-43)91-37-45-38-92-65-63(93-45)71(120)102-80(89)101-65/h8-9,11-13,15-18,22,30,34,38,42,51-56,74-76,91,95,125,129-130H,6-7,10,14,19-21,23-29,31-33,35-37,39-41H2,1-5H3,(H,94,108)(H,96,117)(H,97,115)(H,98,116)(H,99,118)(H,100,119)(H,103,126)(H,104,128)(H,109,110)(H,111,112)(H,113,114)(H,121,122)(H,123,124)(H4,87,88,90)(H3,89,92,101,102,120)/t42-,51-,52-,53-,54-,55-,56-,74-,75+,76+,82-,83+,84+,85-,86-/m0/s1",KUZYSQSABONDME-QRLOMCMNSA-N
BMGC_DG06211,BMG_DG125794,,c1c(ccc[n+]1CC(P(=O)([O-])O)P(=O)(O)O)OCCCCCCCCCC,,QYJHUOZDBUEKQC-UHFFFAOYSA-N
BMGC_DG06212,BMG_DG125795,,c1(ccccn1)C(=O)Nc2c3c([nH]n2)C(N(C3)C(=O)N4[C@H](CN([C@@H](C4)C)CC5CCOCC5)C)(C)C,,WIUOWTNXQICTJG-MSOLQXFVSA-N
BMGC_DG06213,BMG_DG125802,,N(C[C@@H]1N=C(OC1)N)(CC)c2ccccc2,,PPONHQQJLWPUPH-JTQLQIEISA-N
BMGC_DG06214,BMG_DG125803,,,,
BMGC_DG06215,BMG_DG125807,CC1=CC2=C(N1)C=CC(=C2F)OC3=C4C=C(C(=CC4=NC=C3)OCC5(CC5)N)OC,C1(CC1)(N)COc2c(cc3c(ccnc3c2)Oc4c(c5cc([nH]c5cc4)C)F)OC,"InChI=1S/C23H22FN3O3/c1-13-9-15-16(27-13)3-4-19(22(15)24)30-18-5-8-26-17-11-21(20(28-2)10-14(17)18)29-12-23(25)6-7-23/h3-5,8-11,27H,6-7,12,25H2,1-2H3",KSMZEXLVHXZPEF-UHFFFAOYSA-N
BMGC_DG06216,BMG_DG125808,,c1(c(cccn1Cc2c(c(ccn2)C)COc3cccc4c(cc(nc34)C)-c5n[nH]cc5C)C(F)(F)F)=O,,KFVOKCIYVVCZGF-UHFFFAOYSA-N
BMGC_DG06217,BMG_DG125809,C1CCC2(C1)C(=O)N([C@@H](CN2)C3=CC(=CC(=C3)F)F)CC(=O)NC4=CC5=C(C[C@@]6(C5)C7=C(NC6=O)N=CC=C7)C=C4,C1CCCC21NC[C@H](N(C2=O)CC(=O)Nc3cc4C[C@]5(Cc4cc3)c6c(nccc6)NC5=O)c7cc(cc(c7)F)F,"InChI=1S/C31H29F2N5O3/c32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40/h3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40)/t25-,30+/m0/s1",AZAANWYREOQRFB-SETSBSEESA-N
BMGC_DG06218,BMG_DG125813,,N1(CCC(CC1)C(O)(c2cc3OCOc3cc2)c4cc5OCOc5cc4)C(=O)Oc6ccc(cc6)[N+](=O)[O-],,SEGYOKHGGFKMCX-UHFFFAOYSA-N
BMGC_DG06219,BMG_DG125817,,,,
BMGC_DG06220,BMG_DG125818,,,,
BMGC_DG06221,BMG_DG125861,CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](CC2=CC(=C(C=C2F)F)F)N,O=C1[C@@H](COC(C)(C)C)N(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CCN1,"InChI=1S/C19H26F3N3O3/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/m1/s1",LCDDAGSJHKEABN-MLGOLLRUSA-N
BMGC_DG06222,BMG_DG125865,,C(c1c(cc(cc1)-c2c[nH]c3c2cc(cn3)-c4ccccc4)C5CCCC5)(=O)O,,WVSBGSNVCDAMCF-UHFFFAOYSA-N
BMGC_DG06223,BMG_DG125876,,,,
BMGC_DG06224,BMG_DG125877,,,,
BMGC_DG06225,BMG_DG125878,,CC(C)CCN1c2c(N(C(C1C)=O)C)cnc(Nc3cc(c(c(c3)F)O)F)n2,,DTEKTGDVSARYDS-UHFFFAOYSA-N
BMGC_DG06226,BMG_DG125879,CC1=C(C=C(C=C1)O)NC2=C3C=C(C(=CC3=NC=C2)C4=CSC(=N4)CN5CCOCC5)S(=O)(=O)C,,"InChI=1S/C25H26N4O4S2/c1-16-3-4-17(30)11-21(16)27-20-5-6-26-22-12-19(24(13-18(20)22)35(2,31)32)23-15-34-25(28-23)14-29-7-9-33-10-8-29/h3-6,11-13,15,30H,7-10,14H2,1-2H3,(H,26,27)",KNLRJRUFOIDTER-UHFFFAOYSA-N
BMGC_DG06227,BMG_DG125880,,,,
BMGC_DG06228,BMG_DG125888,CCC1=CN=C(N=C1)N2CCC(CC2)C3=NC(=CS3)COC4=CC=C(C=C4)N5C=NN=N5,c1(ncc(cn1)CC)N2CCC(CC2)c3scc(n3)COc4ccc(cc4)-n5nnnc5,"InChI=1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-9-7-17(8-10-29)21-26-18(14-32-21)13-31-20-5-3-19(4-6-20)30-15-25-27-28-30/h3-6,11-12,14-15,17H,2,7-10,13H2,1H3",NFTMKHWBOINJGM-UHFFFAOYSA-N
BMGC_DG06229,BMG_DG125890,C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC[C@@H]6C[C@@H](CC[C@@]6([C@H]5CC4=C(C3)C)C)NS(=O)(=O)C)C)NC1,C[C@H]1[C@@]2(O[C@]3([C@]1(NC[C@H](C3)C)[H])[H])CC(C)=C4[C@@](CC2)([C@]5([C@](C4)([C@]6(C)[C@](CC5)(C[C@@H](CC6)NS(C)(=O)=O)[H])[H])[H])[H],"InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1",HZLFFNCLTRVYJG-WWGOJCOQSA-N
BMGC_DG06230,BMG_DG125898,CCCC[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC1=CC=NC=C1)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=CC=C3)N,[C@@H](Cc1ccccc1)(C(N[C@@H](C(N[C@@H](C(NCc2ccncc2)=O)CCCNC(=N)N)=O)CCCC)=O)NC([C@@H](Cc3ccccc3)N)=O,"InChI=1S/C36H49N9O4/c1-2-3-15-30(34(48)43-29(16-10-19-41-36(38)39)33(47)42-24-27-17-20-40-21-18-27)44-35(49)31(23-26-13-8-5-9-14-26)45-32(46)28(37)22-25-11-6-4-7-12-25/h4-9,11-14,17-18,20-21,28-31H,2-3,10,15-16,19,22-24,37H2,1H3,(H,42,47)(H,43,48)(H,44,49)(H,45,46)(H4,38,39,41)/t28-,29-,30-,31-/m1/s1",DBOGGOVKHSCMNB-OMRVPHBLSA-N
BMGC_DG06231,BMG_DG125903,CNC(=O)C1=CC=CC2=C1C=CC(=C2)OC3=C4C=C(C(=CC4=NC=C3)OCC5(CC5)N)OC,c1(cccc2cc(ccc12)Oc3ccnc4cc(c(cc34)OC)OCC5(CC5)N)C(=O)NC,"InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)",CUDVHEFYRIWYQD-UHFFFAOYSA-N
BMGC_DG06232,BMG_DG125910,CC1=C2C=C(C(=O)N(C2=NC(=N1)N)C3CCC(CC3)OCCO)C4=CN=C(C=C4)OC,c1(nc2c(c(n1)C)cc(c(n2[C@H]3CC[C@@H](CC3)OCCO)=O)-c4cnc(cc4)OC)N,"InChI=1S/C22H27N5O4/c1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26)",XDLYKKIQACFMJG-WKILWMFISA-N;XDLYKKIQACFMJG-UHFFFAOYSA-N
BMGC_DG06233,BMG_DG125914,,N(C(=O)c1cn(CCCCC)c2ccc(C(C)C)cc2c1=O)C34CC5CC(C3)CC(C4)C5,,KUMKLUDNETVLDS-UHFFFAOYSA-N
BMGC_DG06234,BMG_DG125926,,C=CCNc1ccncc1S(N)(=O)=O,,HYUSVYAJBKXAKB-UHFFFAOYSA-N
BMGC_DG06235,BMG_DG125932,,,,
BMGC_DG06236,BMG_DG125938,CC1=C(N(C=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)C)CCO)C3=CC=CC=C3C(F)(F)F,C(CO)n1c(c(C)c(C(Nc2ccc(S(C)(=O)=O)cc2)=O)c1)-c3c(C(F)(F)F)cccc3,"InChI=1S/C22H21F3N2O4S/c1-14-18(21(29)26-15-7-9-16(10-8-15)32(2,30)31)13-27(11-12-28)20(14)17-5-3-4-6-19(17)22(23,24)25/h3-10,13,28H,11-12H2,1-2H3,(H,26,29)",NOSNHVJANRODGR-UHFFFAOYSA-N
BMGC_DG06237,BMG_DG125952,,c1(c(c(c2c(o1)c(c(cc2O)OCCO)CC=C(C)C)=O)OCCO)-c3ccc(cc3)OC,,WTJGVHRGWYENBZ-UHFFFAOYSA-N
BMGC_DG06238,BMG_DG125956,,CCc1nc(N)nc(N)c1C#CCc2cc(OC)ccc2OC,,NNFDQABYXZBKRK-UHFFFAOYSA-N
BMGC_DG06239,BMG_DG125957,,,,
BMGC_DG06240,BMG_DG125960,,,,
BMGC_DG06241,BMG_DG125979,,c1cc(ccc1-c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2)C(=O)N,,VQSBCCFCEYSUBI-UHFFFAOYSA-N
BMGC_DG06242,BMG_DG125981,CCC1=CNC2=C1C(=NC=N2)N3CC[C@@](C3)(CNC(=O)C4=C(C=C(C=C4)F)F)N,,"InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1",MOZRQQTUYAYCQT-FQEVSTJZSA-N
BMGC_DG06243,BMG_DG125985,C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N,c1(nccc(-c2ccc(cc2)C(NCC#N)=O)n1)Nc3ccc(cc3)N4CCOCC4,"InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)",ZVHNDZWQTBEVRY-UHFFFAOYSA-N
BMGC_DG06244,BMG_DG126000,CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)NC)F)C4=CC5=C(C=C4)N=CC=C5,c1(cc(ccn1)Oc2cc(c(cc2)NC(=O)Nc3cc(nn3-c4cc5cccnc5cc4)C(C)(C)C)F)C(=O)NC,"InChI=1S/C30H28FN7O3/c1-30(2,3)26-17-27(38(37-26)19-7-9-23-18(14-19)6-5-12-33-23)36-29(40)35-24-10-8-20(15-22(24)31)41-21-11-13-34-25(16-21)28(39)32-4/h5-17H,1-4H3,(H,32,39)(H2,35,36,40)",WVXNSAVVKYZVOE-UHFFFAOYSA-N
BMGC_DG06245,BMG_DG126001,,C([C@@H](NS(=O)(=O)c1ccc2c(oc3c2cc(cc3)NC(=O)OC)c1)C(C)C)(=O)O,,MKAIHDAGQJQAHA-KRWDZBQOSA-N
BMGC_DG06246,BMG_DG126002,,Brc1nc2c([nH]cc2)nc1,,KTKMLXBEBKGQGL-UHFFFAOYSA-N
BMGC_DG06247,BMG_DG126004,CC1=NC=C(S1)C(=O)N[C@@H](COC)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[C@]3(CO3)C,C([C@H](Cc1ccccc1)NC(=O)[C@H](COC)NC(=O)[C@H](COC)NC(c2sc(nc2)C)=O)([C@]3(CO3)C)=O,"InChI=1S/C25H32N4O7S/c1-15-26-11-20(37-15)24(33)29-19(13-35-4)23(32)28-18(12-34-3)22(31)27-17(21(30)25(2)14-36-25)10-16-8-6-5-7-9-16/h5-9,11,17-19H,10,12-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t17-,18-,19-,25+/m0/s1",SWZXEVABPLUDIO-WSZYKNRRSA-N
BMGC_DG06248,BMG_DG126006,,COc1cc(N2CCN(C)CC2)c3O[C@@H](C(Nc4ccc(N5CCOCC5)cc4)=O)CCc3c1,,SKOWCFJEXPLGNE-XMMPIXPASA-N
BMGC_DG06249,BMG_DG126010,,c1(nc-2c(c(n1)N3C[C@@H](CC3)N)CCCc4c2cccc4)N,,SDTRYHWIXVHTLM-GFCCVEGCSA-N
BMGC_DG06250,BMG_DG126014,C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C3=NNC(=O)C=C3,N1([C@@H](CCC1)C)CCCOc2ccc(cc2)-c3ccc([nH]n3)=O,"InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1",XUKROCVZGZNGSI-CQSZACIVSA-N
BMGC_DG06251,BMG_DG126016,,c1ccc(Cc2ncc3c(n2)CCNCC3)cc1,,CZWQBSKNHUVZLI-UHFFFAOYSA-N
BMGC_DG06252,BMG_DG126022,,c1(nc-2c(c(n1)N3CCNCC3)CCCc4c2cccc4)N,,KUZRWWLVBUPCRK-UHFFFAOYSA-N
BMGC_DG06253,BMG_DG126025,CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2C(F)(F)F)NC3=C(C=C(C=C3)N4CCOCC4)OC,c1(c(cc(nc1)Nc2ccc(cc2OC)N3CCOCC3)Nc4c(cccc4)C(NC)=O)C(F)(F)F,"InChI=1S/C25H26F3N5O3/c1-29-24(34)17-5-3-4-6-19(17)31-21-14-23(30-15-18(21)25(26,27)28)32-20-8-7-16(13-22(20)35-2)33-9-11-36-12-10-33/h3-8,13-15H,9-12H2,1-2H3,(H,29,34)(H2,30,31,32)",IGUBBWJDMLCRIK-UHFFFAOYSA-N
BMGC_DG06254,BMG_DG126031,CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8,,"InChI=1S/C64H82N18O13/c1-34(2)23-46(56(88)75-45(13-7-21-69-64(66)67)63(95)82-22-8-14-52(82)62(94)72-31-53(65)85)76-58(90)48(25-36-28-70-42-11-5-3-9-40(36)42)78-57(89)47(24-35-15-17-39(84)18-16-35)77-61(93)51(32-83)81-59(91)49(26-37-29-71-43-12-6-4-10-41(37)43)79-60(92)50(27-38-30-68-33-73-38)80-55(87)44-19-20-54(86)74-44/h3-6,9-12,15-18,28-30,33-34,44-52,70-71,83-84H,7-8,13-14,19-27,31-32H2,1-2H3,(H2,65,85)(H,68,73)(H,72,94)(H,74,86)(H,75,88)(H,76,90)(H,77,93)(H,78,89)(H,79,92)(H,80,87)(H,81,91)(H4,66,67,69)/t44-,45-,46-,47-,48+,49-,50-,51-,52-/m0/s1",VXKHXGOKWPXYNA-PGBVPBMZSA-N
BMGC_DG06255,BMG_DG126032,C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C.C(=O)(C(F)(F)F)O,C(F)(F)(C(=O)O)F.C([C@@H](NC([C@@H](NC([C@H](NC([C@H](Cc1ccc(cc1)O)NC([C@@H](NC([C@@H](Cc2cccnc2)NC([C@@H](Cc3ccc(cc3)Cl)NC([C@@H](Cc4cc5c(cc4)cccc5)NC(C)=O)=O)=O)=O)CO)=O)=O)CCCNC(N)=O)=O)CC(C)C)=O)CCCNC(=N)N)(=O)N6[C@H](C(N[C@@H](C(N)=O)C)=O)CCC6,"InChI=1S/C70H92ClN17O14.C2HF3O2/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44;3-2(4,5)1(6)7/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102);(H,6,7)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+;/m1./s1",QJPSZAPHZMUGOX-ANRVCLKPSA-N
BMGC_DG06256,BMG_DG126033,C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C,C([C@@H](NC([C@@H](NC([C@H](NC([C@H](Cc1ccc(cc1)O)NC([C@@H](NC([C@@H](Cc2cccnc2)NC([C@@H](Cc3ccc(cc3)Cl)NC([C@@H](Cc4cc5c(cc4)cccc5)NC(C)=O)=O)=O)=O)CO)=O)=O)CCCNC(N)=O)=O)CC(C)C)=O)CCCNC(=N)N)(=O)N6[C@H](C(N[C@@H](C(N)=O)C)=O)CCC6,"InChI=1S/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1",SBNPWPIBESPSIF-MHWMIDJBSA-N
BMGC_DG06257,BMG_DG126036,,C(=O)([C@@H](N)Cc1ccc(O)cc1)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C)CCCCN)Cc2ccccc2)CCC(=O)N)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)Cc3ccccc3,,AGTSSZRZBSNTGQ-ITZCFHCWSA-N
BMGC_DG06258,BMG_DG126037,CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N,C([C@@H](NC([C@@](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](Cc1ccccc1)NC(CNC(CNC([C@H](Cc2ccc(cc2)O)N)=O)=O)=O)=O)CC(C)C)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)([C@H](CC)C)[H])=O)CCCNC(=N)N)(=O)N3[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCCCN)C(O)=O)=O)CC(C)C)=O)CCCCN)=O)CCC3,"InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1",OVVIBUHLQIYUEU-IWIISZHXSA-N
BMGC_DG06259,BMG_DG126038,C([C@@H](C(=O)O)N)[SeH],[C@@H](C(O)=O)(C[SeH])N,"InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1",ZKZBPNGNEQAJSX-REOHCLBHSA-N
BMGC_DG06260,BMG_DG126040,CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8,C(=O)([C@H]1NC(CC1)=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)NCC(=O)N)CCC2)CCCNC(=N)N)CC(C)C)Cc3ccc4c(c3)cccc4)Cc5ccc(O)cc5)CO)Cc6c[nH]c7ccccc67)Cc8c[nH]cn8,"InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1",RWHUEXWOYVBUCI-ITQXDASVSA-N
BMGC_DG06261,BMG_DG126041,,N1[C@](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N2[C@H](C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N3[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CC(C)C)=O)[C@@H](C)CC)=O)Cc4ccc(cc4)O)=O)CCC3)=O)=O)CCCNC(N)=N)=O)CCC2)=O)CCCCN)=O)CC(=O)N)=O)CCC(=O)O)=O)Cc5ccc(cc5)O)=O)CC(C)C)(CCC1=O)[H],,PCJGZPGTCUMMOT-ISULXFBGSA-N
BMGC_DG06262,BMG_DG126042,C(C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)CN=C(N)N,,"InChI=1S/C54H110N36O10/c55-28(10-1-19-74-46(56)57)37(91)83-29(11-2-20-75-47(58)59)38(92)84-30(12-3-21-76-48(60)61)39(93)85-31(13-4-22-77-49(62)63)40(94)86-32(14-5-23-78-50(64)65)41(95)87-33(15-6-24-79-51(66)67)42(96)88-34(16-7-25-80-52(68)69)43(97)89-35(17-8-26-81-53(70)71)44(98)90-36(45(99)100)18-9-27-82-54(72)73/h28-36H,1-27,55H2,(H,83,91)(H,84,92)(H,85,93)(H,86,94)(H,87,95)(H,88,96)(H,89,97)(H,90,98)(H,99,100)(H4,56,57,74)(H4,58,59,75)(H4,60,61,76)(H4,62,63,77)(H4,64,65,78)(H4,66,67,79)(H4,68,69,80)(H4,70,71,81)(H4,72,73,82)/t28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1",XUNKPNYCNUKOAU-VXJRNSOOSA-N
BMGC_DG06263,BMG_DG126044,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8,c1(C[C@@H](C(N[C@@H](CO)C(N[C@H](C(N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(N2CCC[C@H]2C(=O)NCC)=O)CCCNC(N)=N)Cc3c[nH]c4ccccc43)=O)Cc5ccc(cc5)O)=O)=O)NC([C@H](Cc6nc[nH]c6)NC([C@]7(NC(=O)CC7)[H])=O)=O)c8c([nH]c1)cccc8,"InChI=1S/C64H83N17O12/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69)/t45-,46-,47-,48-,49+,50-,51-,52-,53-/m0/s1",GJKXGJCSJWBJEZ-XRSSZCMZSA-N
BMGC_DG06264,BMG_DG126049,CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCCN8,,"InChI=1S/C69H87N15O12/c1-42(2)59(67(93)81-54(35-46-25-27-49(85)28-26-46)61(87)76-51(69(95)96)22-12-13-29-70)83-65(91)55(34-45-20-10-5-11-21-45)78-62(88)52(32-43-16-6-3-7-17-43)77-64(90)56(36-47-38-71-40-74-47)79-63(89)53(33-44-18-8-4-9-19-44)80-66(92)58-24-15-31-84(58)68(94)57(37-48-39-72-41-75-48)82-60(86)50-23-14-30-73-50/h3-11,16-21,25-28,38-42,50-59,73,85H,12-15,22-24,29-37,70H2,1-2H3,(H,71,74)(H,72,75)(H,76,87)(H,77,90)(H,78,88)(H,79,89)(H,80,92)(H,81,93)(H,82,86)(H,83,91)(H,95,96)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1",AIRMFERKNRDUKD-PVGXKDMPSA-N
BMGC_DG06265,BMG_DG126050,CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8,,"InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)",RWHUEXWOYVBUCI-UHFFFAOYSA-N
BMGC_DG06266,BMG_DG126051,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CN(C=N2)CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8,C([C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]2CCC(N2)=O)C(N[C@H](C(N[C@@H](Cc3ccc(cc3)O)C(N[C@H](Cc4cn(cn4)Cc5ccccc5)C(N[C@H](C(N[C@H](C(=O)N6[C@H](C(NCC)=O)CCC6)CCCNC(=N)N)=O)CC(C)C)=O)=O)=O)CO)=O)c7c8c([nH]c7)cccc8,"InChI=1S/C66H86N18O12/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71)/t47-,48-,49-,50-,51-,52-,53+,54-,55-/m0/s1",HHXHVIJIIXKSOE-QILQGKCVSA-N
BMGC_DG06267,BMG_DG126060,C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C.CC(=O)O,CC(=O)O.C([C@@H](NC([C@@H](NC([C@H](NC([C@H](Cc1ccc(cc1)O)NC([C@@H](NC([C@@H](Cc2cccnc2)NC([C@@H](Cc3ccc(cc3)Cl)NC([C@@H](Cc4cc5c(cc4)cccc5)NC(C)=O)=O)=O)=O)CO)=O)=O)CCCNC(N)=O)=O)CC(C)C)=O)CCCNC(=N)N)(=O)N6[C@H](C(N[C@@H](C(N)=O)C)=O)CCC6,"InChI=1S/C70H92ClN17O14.C2H4O2/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44;1-2(3)4/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102);1H3,(H,3,4)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+;/m1./s1",KFEFLCOCAHJBEA-ANRVCLKPSA-N
BMGC_DG06268,BMG_DG126071,CCCC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@@H](CCCCNC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C,N1(CCC[C@H]1C(N[C@@H](C(N)=O)C)=O)C([C@@H](NC([C@@H](NC([C@H](NC([C@H](Cc2ccc(cc2)O)N(C)C(=O)[C@H](CO)NC([C@H](NC([C@@H](Cc3ccc(cc3)Cl)NC([C@@H](Cc4cc5c(cc4)cccc5)NC(C)=O)=O)=O)Cc6cccnc6)=O)=O)CCCCNC(N)=O)=O)CCCC)=O)CCCNC(N)=N)=O,"InChI=1S/C72H96ClN17O14/c1-5-6-17-52(63(96)85-54(19-12-33-79-71(75)76)70(103)90-34-13-20-59(90)67(100)81-42(2)61(74)94)83-62(95)53(18-9-10-32-80-72(77)104)84-68(101)60(39-45-24-29-51(93)30-25-45)89(4)69(102)58(41-91)88-66(99)57(38-47-14-11-31-78-40-47)87-65(98)56(36-44-22-27-50(73)28-23-44)86-64(97)55(82-43(3)92)37-46-21-26-48-15-7-8-16-49(48)35-46/h7-8,11,14-16,21-31,35,40,42,52-60,91,93H,5-6,9-10,12-13,17-20,32-34,36-39,41H2,1-4H3,(H2,74,94)(H,81,100)(H,82,92)(H,83,95)(H,84,101)(H,85,96)(H,86,97)(H,87,98)(H,88,99)(H4,75,76,79)(H3,77,80,104)/t42-,52+,53-,54+,55-,56-,57-,58+,59+,60+/m1/s1",KATZUZNTRINHDT-HALMFYTRSA-N
BMGC_DG06269,BMG_DG126085,CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCSC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]6CCC(=O)N6,,"InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1",GGMAXEWLXWJGSF-PEWBXTNBSA-N
BMGC_DG06270,BMG_DG126107,C1CCC(C(C1)C2=CC(=C(C=C2)C#N)C(F)(F)F)O,,"InChI=1S/C14H14F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h5-7,11,13,19H,1-4H2",MENRRRXHFQYXDW-UHFFFAOYSA-N
BMGC_DG06271,BMG_DG126108,C1CC[C@H]([C@H](C1)C2=CC(=C(C=C2)C#N)C(F)(F)F)O,C(c1c(cc(cc1)[C@@H]2[C@@H](CCCC2)O)C(F)(F)F)#N,"InChI=1S/C14H14F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h5-7,11,13,19H,1-4H2/t11-,13-/m1/s1",MENRRRXHFQYXDW-DGCLKSJQSA-N
BMGC_DG06272,BMG_DG126109,,,,
BMGC_DG06273,BMG_DG126110,,c1(cc(cc(c1)O)O)C(=O)Nc2ccc(cc2)O,,JMFHJQBJQSFWGM-UHFFFAOYSA-N
BMGC_DG06274,BMG_DG126112,CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC(=C)[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C,[C@]12([C@@](C(=C)C[C@]1([C@@]3(C=C(C)C=4[C@@]([C@@]3([H])CC2)(CCC(C4)=O)C)[H])[H])(OC(=O)C)C(=O)C)C,"InChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1",UDKABVSQKJNZBH-DWNQPYOZSA-N
BMGC_DG06275,BMG_DG126126,,c1c(c(nc(c1F)Nc2cc([nH]n2)C)N[C@H](c3ccc(cc3)F)C)C#N,,SUNXHXDJOIXABJ-NSHDSACASA-N
BMGC_DG06276,BMG_DG126127,C1=CC(=CC=C1C2=C(N=CN=C2OCCOC3=NC=C(C=N3)Br)NS(=O)(=O)N)Br,n1c(c(c(nc1)OCCOc2ncc(cn2)Br)-c3ccc(cc3)Br)NS(=O)(N)=O,"InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)",DKULOVKANLVDEA-UHFFFAOYSA-N
BMGC_DG06277,BMG_DG126128,,c12ccc(cc1c(cn2NC(c3c(nc(nc3)-c4ncccc4)C)=O)C)F,,YNVKAENVJKEMOU-UHFFFAOYSA-N
BMGC_DG06278,BMG_DG126134,C1CC2=CC(=NC=C2OC1)CNC3CCN(CC3)C[C@@H]4CN5C(=O)C=CC6=C5N4C(=O)C=N6,C1[C@H](n2c(cnc3ccc(n1c23)=O)=O)CN4CCC(CC4)NCc5cc6c(cn5)OCCC6,"InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1",PZFAZQUREQIODZ-LJQANCHMSA-N
BMGC_DG06279,BMG_DG126140,CCC1[C@@](C(C(C(=NOCOCCOC)C(C[C@@](C(C(C(C(C(=O)O1)C)OC2C[C@@](C(C(O2)C)O)(C)OC)C)O[C@H]3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O,,"InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/t22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,38-,39+,40+,41+/m0/s1",RXZBMPWDPOLZGW-YVNHRGETSA-N
BMGC_DG06280,BMG_DG126143,,,,
BMGC_DG06281,BMG_DG126145,COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F,C1(CC1)(C(=O)Nc2ccc(cc2)Oc3ccnc4cc(c(cc34)OC)OC)C(=O)Nc5ccc(cc5)F,"InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)",ONIQOQHATWINJY-UHFFFAOYSA-N
BMGC_DG06282,BMG_DG126151,CCCCOC1=CC=CC(=C1)CCNCC(=O)N(C)C,C(c1cccc(OCCCC)c1)CNCC(=O)N(C)C,"InChI=1S/C16H26N2O2/c1-4-5-11-20-15-8-6-7-14(12-15)9-10-17-13-16(19)18(2)3/h6-8,12,17H,4-5,9-11,13H2,1-3H3",GRHBODILPPXVKN-UHFFFAOYSA-N
BMGC_DG06283,BMG_DG126156,,N#Cc1ccc(cc1)CNC(=O)CCCCCN2CCN(CC2)c3ccccc3-c4ccccc4,,BQEDZLDNNBDKDS-UHFFFAOYSA-N
BMGC_DG06284,BMG_DG126161,CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)NC3=CC=CC=C3C4=CN5C(=CSC5=N4)CN6CCOCC6,Cc1c(C(Nc2ccccc2-c3cn4c(CN5CCOCC5)csc4n3)=O)sc(-c6cccnc6)n1,"InChI=1S/C26H24N6O2S2/c1-17-23(36-25(28-17)18-5-4-8-27-13-18)24(33)29-21-7-3-2-6-20(21)22-15-32-19(16-35-26(32)30-22)14-31-9-11-34-12-10-31/h2-8,13,15-16H,9-12,14H2,1H3,(H,29,33)",LAMQVIQMVKWXOC-UHFFFAOYSA-N
BMGC_DG06285,BMG_DG126164,CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C3=CC4=CC=CC=C4C=C3,o1c(nc2c1ccc(c2)S(=O)(=O)CC)-c3cc4ccccc4cc3,"InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3",KSGCNXAZROJSNW-UHFFFAOYSA-N
BMGC_DG06286,BMG_DG126167,CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)NCCO)C#N,,"InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3",XRVDGNKRPOAQTN-UHFFFAOYSA-N
BMGC_DG06287,BMG_DG126174,,,,
BMGC_DG06288,BMG_DG126182,,,,
BMGC_DG06289,BMG_DG126183,,,,
BMGC_DG06290,BMG_DG126184,,,,
BMGC_DG06291,BMG_DG126185,,,,
BMGC_DG06292,BMG_DG126186,,,,
BMGC_DG06293,BMG_DG126187,,,,
BMGC_DG06294,BMG_DG126191,,c1(ccc(cc1)F)CSC[C@@H](C(O)=O)NC(=O)N[C@H](C(O)=O)CCC(O)=O,,IDTMSHGCAZPVLC-RYUDHWBXSA-N
BMGC_DG06295,BMG_DG126193,,,,
BMGC_DG06296,BMG_DG126194,,,,
BMGC_DG06297,BMG_DG126195,,,,
BMGC_DG06298,BMG_DG126218,,,,
BMGC_DG06299,BMG_DG126219,,,,
BMGC_DG06300,BMG_DG126220,,,,
BMGC_DG06301,BMG_DG126221,,,,
BMGC_DG06302,BMG_DG126222,C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)OS(=O)(=O)O)O)O,S(=O)(=O)(O)Oc1cc(cc(c1)O)/C=C/c2ccc(O)cc2,"InChI=1S/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+",DULQFFCIVGYOFH-OWOJBTEDSA-N
BMGC_DG06303,BMG_DG126224,COC1=CC2=C(C=C1)C=C(C=C2)OCC3(CN(C3)C(=O)C4=CC=C(C=C4)F)C(=O)O,N1(CC(C1)(C(=O)O)COc2cc3ccc(cc3cc2)OC)C(c4ccc(cc4)F)=O,"InChI=1S/C23H20FNO5/c1-29-19-8-4-17-11-20(9-5-16(17)10-19)30-14-23(22(27)28)12-25(13-23)21(26)15-2-6-18(24)7-3-15/h2-11H,12-14H2,1H3,(H,27,28)",LWJGMYMNSNVCEM-UHFFFAOYSA-N
BMGC_DG06304,BMG_DG126225,,,,
BMGC_DG06305,BMG_DG126228,CC1=C(NC2=C1C(=O)N(CCC2)C[C@@H](CN3CCOCC3)O)/C=C\4/C5=C(C=CC(=C5)F)NC4=O,N1(C(c2c(CCC1)[nH]c(c2C)/C=C/3\C(Nc4ccc(cc34)F)=O)=O)C[C@@H](CN5CCOCC5)O,"InChI=1S/C25H29FN4O4/c1-15-22(12-19-18-11-16(26)4-5-20(18)28-24(19)32)27-21-3-2-6-30(25(33)23(15)21)14-17(31)13-29-7-9-34-10-8-29/h4-5,11-12,17,27,31H,2-3,6-10,13-14H2,1H3,(H,28,32)/b19-12-/t17-/m1/s1",MCTXSDCWFQAGFS-UEXNTNOUSA-N
BMGC_DG06306,BMG_DG126230,CNC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=NC=CN=C3N(C)S(=O)(=O)C)C(F)(F)F,C(c1ccc(cc1)Nc2nc(c(cn2)C(F)(F)F)NCc3c(nccn3)N(S(=O)(=O)C)C)(=O)NC,"InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)",FWLMVFUGMHIOAA-UHFFFAOYSA-N
BMGC_DG06307,BMG_DG126233,CN1C=C(N=C1C2CCN(CC2)C3=NC=NC4=C3C=NN4)C5=CC(=C(C=C5)F)C(F)(F)F,c1nc2c(c(n1)N3CCC(CC3)c4nc(cn4C)-c5cc(c(cc5)F)C(F)(F)F)cn[nH]2,"InChI=1S/C21H19F4N7/c1-31-10-17(13-2-3-16(22)15(8-13)21(23,24)25)29-19(31)12-4-6-32(7-5-12)20-14-9-28-30-18(14)26-11-27-20/h2-3,8-12H,4-7H2,1H3,(H,26,27,28,30)",FYXRSVDHGLUMHB-UHFFFAOYSA-N
BMGC_DG06308,BMG_DG126242,,N(CCc1ccccc1)(C)C,,TXOFSCODFRHERQ-UHFFFAOYSA-N
BMGC_DG06309,BMG_DG126251,C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3,C(C[C@H](C1CCCC1)n2ncc(c2)-c3ncnc4c3cc[nH]4)#N,"InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1",HFNKQEVNSGCOJV-OAHLLOKOSA-N
BMGC_DG06310,BMG_DG126255,CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H](C(=O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC,O=C(O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H](OC(=O)C[C@H](OCCCCCCCCCC)CCCCCCCCCCC)[C@H]1NC(=O)C[C@H](OCCCCCCCCCC)CCCCCCCCCCC)NC(=O)C[C@H](OCCCCCCCCCC)CCCCCCCCCCC,"InChI=1S/C81H157N2O16P/c1-7-13-19-25-31-37-40-46-52-58-69(93-61-55-49-43-34-28-22-16-10-4)64-74(85)82-72(80(88)89)68-96-81-77(83-75(86)65-70(59-53-47-41-38-32-26-20-14-8-2)94-62-56-50-44-35-29-23-17-11-5)79(78(73(67-84)97-81)99-100(90,91)92)98-76(87)66-71(60-54-48-42-39-33-27-21-15-9-3)95-63-57-51-45-36-30-24-18-12-6/h69-73,77-79,81,84H,7-68H2,1-6H3,(H,82,85)(H,83,86)(H,88,89)(H2,90,91,92)/t69-,70-,71-,72+,73-,77-,78-,79-,81-/m1/s1",ICLAYQQKWJGHBV-XJZMHMBSSA-N
BMGC_DG06311,BMG_DG126257,COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=C(C=C3)Cl)Cl)F)OC4CCN(CC4)C(=O)C=C,C(C=C)(=O)N1CCC(CC1)Oc2cc3c(ncnc3cc2OC)Nc4c(c(c(cc4)Cl)Cl)F,"InChI=1S/C23H21Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h3-5,10-13H,1,6-9H2,2H3,(H,27,28,29)",LPFWVDIFUFFKJU-UHFFFAOYSA-N
BMGC_DG06312,BMG_DG126258,C[C@@H]1CC[C@H](CN1C(=O)C2=C(C=CC(=C2)C)C3=NC=CC=N3)COC4=NC=C(C=C4)F,C(=O)(c1c(ccc(c1)C)-c2ncccn2)N3C[C@H](COc4ccc(cn4)F)CC[C@H]3C,"InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1",NPFDWHQSDBWQLH-QZTJIDSGSA-N
BMGC_DG06313,BMG_DG126260,C[As](=O)(C)O,[As](=O)(O)(C)C,"InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)",OGGXGZAMXPVRFZ-UHFFFAOYSA-N
BMGC_DG06314,BMG_DG126275,,,,
BMGC_DG06315,BMG_DG126276,,,,
BMGC_DG06316,BMG_DG126277,,,,
BMGC_DG06317,BMG_DG126278,,,,
BMGC_DG06318,BMG_DG126279,,,,
BMGC_DG06319,BMG_DG126280,,,,
BMGC_DG06320,BMG_DG126281,,,,
BMGC_DG06321,BMG_DG126284,CC1=CC(=C(N=C1)C(=O)C2=C3C=CNC3=NC=N2)NS(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F,c1c(c(cc(c1)S(Nc2c(ncc(c2)C)C(c3c4c(ncn3)[nH]cc4)=O)(=O)=O)C(F)(F)F)Cl,"InChI=1S/C20H13ClF3N5O3S/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16/h2-9,29H,1H3,(H,25,27,28)",LUUMLYXKTPBTQR-UHFFFAOYSA-N
BMGC_DG06322,BMG_DG126286,CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=N2)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC,n1c(nc(nc1)Nc2c(cccc2)S(=O)(=O)C(C)C)Nc3c(cc(cc3)N4CCC(CC4)N5CCN(CC5)C)OC,"InChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)",MGGBYMDAPCCKCT-UHFFFAOYSA-N
BMGC_DG06323,BMG_DG126288,,N1(CCN(CC1)c2c(cc(cc2)NC(c3c(cccc3)-c4cnccc4)=O)F)C(C(=O)N(CC)CC)c5ccccc5,,OVUNRYUVDVWTTE-UHFFFAOYSA-N
BMGC_DG06324,BMG_DG126289,CN1C=C(C=N1)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)C4=NC=C(C=N4)OCCN5CCOCC5,c1(ccc(nn1Cc2cc(ccc2)-c3ncc(cn3)OCCN4CCOCC4)-c5cnn(c5)C)=O,"InChI=1S/C25H27N7O3/c1-30-18-21(14-28-30)23-5-6-24(33)32(29-23)17-19-3-2-4-20(13-19)25-26-15-22(16-27-25)35-12-9-31-7-10-34-11-8-31/h2-6,13-16,18H,7-12,17H2,1H3",CIUKPBWULKEZMF-UHFFFAOYSA-N
BMGC_DG06325,BMG_DG126301,CC1O[C@]2(CN3CCC2CC3)CS1,,"InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8?,10-/m1/s1",WUTYZMFRCNBCHQ-LHIURRSHSA-N
BMGC_DG06326,BMG_DG126305,CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C,,"InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22?/m1/s1",XLMALTXPSGQGBX-ZZWBGTBQSA-N
BMGC_DG06327,BMG_DG126308,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C.C1=CC=C(C=C1)C[NH2+]CC[NH2+]CC2=CC=CC=C2,,"InChI=1S/2C16H18N2O4S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12+,14-;/m11./s1",BVGLIYRKPOITBQ-ANPZCEIESA-N
BMGC_DG06328,BMG_DG126318,,,,
BMGC_DG06329,BMG_DG126319,,,,
BMGC_DG06330,BMG_DG126320,,,,
BMGC_DG06331,BMG_DG126321,,,,
BMGC_DG06332,BMG_DG126322,,CC(=O)Nc1nc(-c2ccc(F)c(C)n2)c(-c3ccc4nccnc4c3)[nH]1,,TYPILNNEZPSNTI-UHFFFAOYSA-N
BMGC_DG06333,BMG_DG126323,,,,
BMGC_DG06334,BMG_DG126325,CC(C)C1=NC2=C(C=CC(=C2)O)C(=O)N1C3=CC=C(C=C3)C#N,C(c1ccc(cc1)-n2c(nc3cc(ccc3c2=O)O)C(C)C)#N,"InChI=1S/C18H15N3O2/c1-11(2)17-20-16-9-14(22)7-8-15(16)18(23)21(17)13-5-3-12(10-19)4-6-13/h3-9,11,22H,1-2H3",JFPXRFIBKKSHGY-UHFFFAOYSA-N
BMGC_DG06335,BMG_DG126336,CN1CCN(CC1)C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6,c12ccc(cc1c(n[nH]2)NC(c3c(cc(cc3)N4CCN(CC4)C)NC5CCOCC5)=O)Cc6cc(cc(c6)F)F,"InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)",HAYYBYPASCDWEQ-UHFFFAOYSA-N
BMGC_DG06336,BMG_DG126351,,c1(cc2c(c(n(c2cc1)Cc3ccc(Cl)cc3)C)C(C(Nc4ccnc(c4)OC)=O)=O)C,,RIKZRSJVZWKHNX-UHFFFAOYSA-N
BMGC_DG06337,BMG_DG126354,CCOC(=O)C1=C(NC(=NC1C2=C(C=C(C=C2)F)Br)C3=NC=CS3)CN4CCOCC4,O1CCN(CC=2NC(=NC(c3ccc(F)cc3Br)C2C(=O)OCC)c4nccs4)CC1,"InChI=1S/C21H22BrFN4O3S/c1-2-30-21(28)17-16(12-27-6-8-29-9-7-27)25-19(20-24-5-10-31-20)26-18(17)14-4-3-13(23)11-15(14)22/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,25,26)",SQGRDKSRFFUBBU-UHFFFAOYSA-N
BMGC_DG06338,BMG_DG126360,CNC(=O)C1=C(C=C(C=C1)C2=NN3C(=CN=C3N=C2)CC4=CC5=C(C=C4)N=CC=C5)F,C(c1c(cc(cc1)-c2cnc3n(n2)c(cn3)Cc4cc5cccnc5cc4)F)(=O)NC,"InChI=1S/C23H17FN6O/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20/h2-9,11-13H,10H2,1H3,(H,25,31)",LIOLIMKSCNQPLV-UHFFFAOYSA-N
BMGC_DG06339,BMG_DG126368,,,,
BMGC_DG06340,BMG_DG126369,,,,
BMGC_DG06341,BMG_DG126371,C1CN2CCC1[C@H]([C@@H]2CC3=CN=CC=C3)NC(=O)C4=CC5=CC=CC=C5O4,C([C@H]1[C@@H](C2CCN1CC2)NC(=O)c3cc4c(o3)cccc4)c5cccnc5,"InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1",OXKRFEWMSWPKKV-GHTZIAJQSA-N
BMGC_DG06342,BMG_DG126372,C1CN2CCC1[C@H](C2)OC(=O)N(CC3=CC(=C(C(=C3)F)F)F)C4=CC(=CC=C4)F,O(C(N(c1cccc(c1)F)Cc2cc(c(c(c2)F)F)F)=O)[C@@H]3C4CCN(C3)CC4,"InChI=1S/C21H20F4N2O2/c22-15-2-1-3-16(10-15)27(11-13-8-17(23)20(25)18(24)9-13)21(28)29-19-12-26-6-4-14(19)5-7-26/h1-3,8-10,14,19H,4-7,11-12H2/t19-/m0/s1",UXZDMXYRRQJIBJ-IBGZPJMESA-N
BMGC_DG06343,BMG_DG126373,CC(C)CC(=O)C1=CC(=C(C=C1)OC(F)F)OC2CCOC2,,"InChI=1S/C16H20F2O4/c1-10(2)7-13(19)11-3-4-14(22-16(17)18)15(8-11)21-12-5-6-20-9-12/h3-4,8,10,12,16H,5-7,9H2,1-2H3",IXURVUHDDXFYDR-UHFFFAOYSA-N
BMGC_DG06344,BMG_DG126374,,c1c(nc[nH]1)CCCNC(=N)NC(=O)CCC2CCCCC2,,QBGKYFYOFBXHFM-UHFFFAOYSA-N
BMGC_DG06345,BMG_DG126375,CCN(CC(C)O)C1=NN=C(C=C1)NNC(=O)OCC,n1nc(NNC(=O)OCC)ccc1N(CC(O)C)CC,"InChI=1S/C12H21N5O3/c1-4-17(8-9(3)18)11-7-6-10(13-15-11)14-16-12(19)20-5-2/h6-7,9,18H,4-5,8H2,1-3H3,(H,13,14)(H,16,19)",QLTVVOATEHFXLT-UHFFFAOYSA-N
BMGC_DG06346,BMG_DG126379,,N(c1c2c(nc(n1)N3CCN(C)CCC3)cc(OC)c(OC)c2)C4CCN(Cc5ccccc5)CC4,,OSXFATOLZGZLSK-UHFFFAOYSA-N
BMGC_DG06347,BMG_DG126381,C1=CC(=NC=C1CC2=CNC3=C2C=C(C=N3)Cl)NCC4=CN=C(C=C4)C(F)(F)F,c1(c[nH]c2ncc(cc12)Cl)Cc3cnc(NCc4cnc(cc4)C(F)(F)F)cc3,"InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)",JGWRKYUXBBNENE-UHFFFAOYSA-N
BMGC_DG06348,BMG_DG126382,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5,[C@@H](Cc1ccccc1)(NC([C@H](CCN2CCOCC2)NC(N(Cc3nc(C(C)C)sc3)C)=O)=O)CC[C@H](Cc4ccccc4)NC(OCc5cncs5)=O,"InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1",ZCIGNRJZKPOIKD-CQXVEOKZSA-N
BMGC_DG06349,BMG_DG126391,CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC,C(N[C@@H](C(C)C)C(N1[C@H](c2[nH]c(-c3ccc(-c4ccc(-c5cnc([C@@H]6CCCN6C([C@@H](NC(OC)=O)C(C)C)=O)[nH]5)cc4)cc3)cn2)CCC1)=O)(OC)=O,"InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1",FKRSSPOQAMALKA-CUPIEXAXSA-N
BMGC_DG06350,BMG_DG126392,,CCc1nnc(NS(=O)(=O)N)s1,,HVRGNGCSIVHKLU-UHFFFAOYSA-N
BMGC_DG06351,BMG_DG126393,,N1(CCC(CC1)Cc2cc(ccc2)Oc3ccc(cn3)C(F)(F)F)C(=O)Nc4cnccc4,,NBOJHRYUGLRASX-UHFFFAOYSA-N
BMGC_DG06352,BMG_DG126397,,,,
BMGC_DG06353,BMG_DG126415,C[C@H](C1=NC=C(S1)C(=O)NC2=NC=C(C(=C2)C(F)(F)F)Cl)NC(=O)C3=C(C(=NC=N3)N)Cl,c1nc(c(c(n1)C(N[C@@H](c2ncc(s2)C(Nc3cc(c(cn3)Cl)C(F)(F)F)=O)C)=O)Cl)N,"InChI=1S/C17H12Cl2F3N7O2S/c1-6(28-15(31)12-11(19)13(23)27-5-26-12)16-25-4-9(32-16)14(30)29-10-2-7(17(20,21)22)8(18)3-24-10/h2-6H,1H3,(H,28,31)(H2,23,26,27)(H,24,29,30)/t6-/m1/s1",VWMJHAFYPMOMGF-ZCFIWIBFSA-N
BMGC_DG06354,BMG_DG126421,C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C)O,[C@@]12([C@@]([C@](O)(C)CC1)(CC[C@]3([C@]2([C@@H](CC4=CC(=O)CC[C@]34[H])C)[H])[H])C)[H],"InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1",PTQMMNYJKCSPET-OMHQDGTGSA-N
BMGC_DG06355,BMG_DG126425,,,,
BMGC_DG06356,BMG_DG126434,CS(=O)(=O)CC[C@H]1[C@@H]2COC3=C(C=CC(=C3[C@@]2(CCO1)S(=O)(=O)C4=CC=C(C=C4)Cl)F)F,c1cc(c2c(c1F)OC[C@@]3([C@]2(CCO[C@H]3CCS(C)(=O)=O)S(c4ccc(cc4)Cl)(=O)=O)[H])F,"InChI=1S/C21H21ClF2O6S2/c1-31(25,26)11-8-18-15-12-30-20-17(24)7-6-16(23)19(20)21(15,9-10-29-18)32(27,28)14-4-2-13(22)3-5-14/h2-7,15,18H,8-12H2,1H3/t15-,18-,21-/m0/s1",AMXSRXZYBDALJG-XERREHJYSA-N
BMGC_DG06357,BMG_DG126436,CN1CC[C@H](C[C@@H]1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N,N(C(=O)Nc1ccc(cc1)C#N)[C@H]2C[C@@H](N(CC2)C)c3[nH]c4c(n3)cccc4,"InChI=1S/C21H22N6O/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20/h2-9,16,19H,10-12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1",SFNSLLSYNZWZQG-VQIMIIECSA-N
BMGC_DG06358,BMG_DG126437,CCNCCS(=O)(=O)NC[C@@]1(N(N=C(S1)NC(=O)C(C)(C)C)C(=O)C(C)(C)C)C2=CC=CC=C2,S(NC[C@]1(c2ccccc2)N(C(C(C)(C)C)=O)N=C(NC(=O)C(C)(C)C)S1)(CCNCC)(=O)=O,"InChI=1S/C23H37N5O4S2/c1-8-24-14-15-34(31,32)25-16-23(17-12-10-9-11-13-17)28(19(30)22(5,6)7)27-20(33-23)26-18(29)21(2,3)4/h9-13,24-25H,8,14-16H2,1-7H3,(H,26,27,29)/t23-/m0/s1",YVAFBXLHPINSIK-QHCPKHFHSA-N
BMGC_DG06359,BMG_DG126438,COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F,c1(c(cc(cc1)F)F)S(=O)(=O)Nc2c(ncc(c2)-c3cc4c(ccnc4cc3)-c5cnncc5)OC,"InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3",CGBJSGAELGCMKE-UHFFFAOYSA-N
BMGC_DG06360,BMG_DG126439,CC[C@@H]1C[C@@]1(C(=O)O)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)(C)C)NC(=O)OC3C[C@H]4C[C@H]4C3)OC5=CC(=NC6=C5C=CC(=C6Cl)OCCN7CCOCC7)C8=CSC(=N8)NC(C)C,c1(OCCN2CCOCC2)c(Cl)c3nc(-c4csc(NC(C)C)n4)cc(O[C@H]5CN(C([C@H](C(C)(C)C)NC(=O)O[C@@H]6C[C@@H]7C[C@@H]7C6)=O)[C@H](C(N[C@]8(C(O)=O)C[C@H]8CC)=O)C5)c3cc1,"InChI=1S/C45H60ClN7O9S/c1-7-27-21-45(27,41(56)57)51-39(54)33-19-29(22-53(33)40(55)38(44(4,5)6)50-43(58)62-28-17-25-16-26(25)18-28)61-35-20-31(32-23-63-42(49-32)47-24(2)3)48-37-30(35)8-9-34(36(37)46)60-15-12-52-10-13-59-14-11-52/h8-9,20,23-29,33,38H,7,10-19,21-22H2,1-6H3,(H,47,49)(H,50,58)(H,51,54)(H,56,57)/t25-,26+,27-,28?,29-,33+,38-,45-/m1/s1",OTXAMWFYPMNDME-FQQWJMKMSA-N;OTXAMWFYPMNDME-OPUYQWCOSA-N
BMGC_DG06361,BMG_DG126441,,c12c(c(-c3ccc(cc3)Cl)c(cn1)S(=O)(=O)c4cc(ccc4)C#N)ccc(F)c2,,BXQVEFQXOWJFLQ-UHFFFAOYSA-N
BMGC_DG06362,BMG_DG126456,CN1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N,C(c1cc(ccc1)-c2ccc(n(n2)Cc3cc(ccc3)-c4ncc(cn4)OCC5CCN(CC5)C)=O)#N,"InChI=1S/C29H28N6O2/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3",AHYMHWXQRWRBKT-UHFFFAOYSA-N
BMGC_DG06363,BMG_DG126460,,,,
BMGC_DG06364,BMG_DG126461,,,,
BMGC_DG06365,BMG_DG126463,,c12ccc(cc1c(n[nH]2)NC(c3c(cc(cc3)N4CCNCC4)NC5CCOCC5)=O)Cc6cc(cc(c6)F)F,,SKXAZUOZHANICG-UHFFFAOYSA-N
BMGC_DG06366,BMG_DG126469,,c1(c(c(C(Nc2ccc(C3=NCCN3)cc2)=O)ccc1)N)C(Nc4ccc(C5=NCCN5)cc4)=O,,OBAUDPAEJYJNTG-UHFFFAOYSA-N
BMGC_DG06367,BMG_DG126471,,n1cnc2c(c1N([C@H]3CN(CC[C@@H]3C)C(CC#N)=O)C)cc[nH]2,,UJLAWZDWDVHWOW-AAEUAGOBSA-N
BMGC_DG06368,BMG_DG126472,,O=C1CCc2cc(-c3cccnc3)ccc2C1,,XMIVJNDWTQQRAQ-UHFFFAOYSA-N
BMGC_DG06369,BMG_DG126476,,,,
BMGC_DG06370,BMG_DG126477,COC1=CC=C(C=C1)N2C=NC3=C2C=C(C=C3)C4=NNC(=S)O4,,"InChI=1S/C16H12N4O2S/c1-21-12-5-3-11(4-6-12)20-9-17-13-7-2-10(8-14(13)20)15-18-19-16(23)22-15/h2-9H,1H3,(H,19,23)",QBVJMUOTMRYUKR-UHFFFAOYSA-N
BMGC_DG06371,BMG_DG126478,COCCNCC1=CN=C(C=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=C(C=C5)F)F,C(NC(=S)Nc1ccc(Oc2ccnc3cc(-c4ncc(CNCCOC)cc4)sc32)c(F)c1)(=O)Cc5ccc(F)cc5,"InChI=1S/C31H27F2N5O3S2/c1-40-13-12-34-17-20-4-8-24(36-18-20)28-16-25-30(43-28)27(10-11-35-25)41-26-9-7-22(15-23(26)33)37-31(42)38-29(39)14-19-2-5-21(32)6-3-19/h2-11,15-16,18,34H,12-14,17H2,1H3,(H2,37,38,39,42)",YRCHYHRCBXNYNU-UHFFFAOYSA-N
BMGC_DG06372,BMG_DG126480,CCOC(=O)[C@H](CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)O[C@H](C3=C(C=C(C=C3)Cl)N4C=CC(=N4)C)C(F)(F)F)N,CCOC(=O)[C@H](Cc1ccc(cc1)-c2cc(nc(N)n2)O[C@H](c3ccc(cc3-n4ccc(C)n4)Cl)C(F)(F)F)N,"InChI=1S/C27H26ClF3N6O3/c1-3-39-25(38)20(32)12-16-4-6-17(7-5-16)21-14-23(35-26(33)34-21)40-24(27(29,30)31)19-9-8-18(28)13-22(19)37-11-10-15(2)36-37/h4-11,13-14,20,24H,3,12,32H2,1-2H3,(H2,33,34,35)/t20-,24+/m0/s1",MDSQOJYHHZBZKA-GBXCKJPGSA-N
BMGC_DG06373,BMG_DG126481,C1COCCN1CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)SC4=NN=C5N4N=C(C=C5)C6=CC=C(C=C6)F,S(c1n2c(nn1)ccc(n2)-c3ccc(cc3)F)c4cc5c(cc4)nc(s5)NC(NCCN6CCOCC6)=O,"InChI=1S/C25H23FN8O2S2/c26-17-3-1-16(2-4-17)19-7-8-22-30-31-25(34(22)32-19)37-18-5-6-20-21(15-18)38-24(28-20)29-23(35)27-9-10-33-11-13-36-14-12-33/h1-8,15H,9-14H2,(H2,27,28,29,35)",ODIUNTQOXRXOIV-UHFFFAOYSA-N
BMGC_DG06374,BMG_DG126492,B([C@H](CC(C)C)NC(=O)CNC(=O)C1=C(C=CC(=C1)Cl)Cl)(O)O,OB(O)[C@@H](NC(=O)CNC(=O)c1c(ccc(c1)Cl)Cl)CC(C)C,"InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1",MXAYKZJJDUDWDS-LBPRGKRZSA-N
BMGC_DG06375,BMG_DG126496,C1CN(C=CC1=O)C2=C(C=C(C(=C2F)F)N3C[C@@H](OC3=O)CNC4=NOC=C4)F,C1CC(C=CN1c2c(cc(c(c2F)F)N3C(O[C@H](C3)CNc4ccon4)=O)F)=O,"InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1",SULYVXZZUMRQAX-NSHDSACASA-N
BMGC_DG06376,BMG_DG126497,C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CS[C@@H]4CC[C@H](C[C@H]4O)N)C,,"InChI=1S/C28H45NO5S/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3/t16-,17+,18-,20-,21-,22-,24+,25+,26-,27+,28+/m1/s1",KPVIXBKIJXZQJX-FCEONZPQSA-N
BMGC_DG06377,BMG_DG126501,,,,
BMGC_DG06378,BMG_DG126505,,c1(c(O[C@@](c2ccccc2)([C@@]3(CNCCO3)[H])[H])cccc1)C,,BTDIKAPSRZPGSC-ROUUACIJSA-N
BMGC_DG06379,BMG_DG126508,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,c12c(c(=O)n(c(n1C)=O)C)n(C)cn2,"InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3",RYYVLZVUVIJVGH-UHFFFAOYSA-N
BMGC_DG06380,BMG_DG126510,,,,
BMGC_DG06381,BMG_DG126511,,O=C1Nc2cc(Cl)cc(Cl)c2C1=O,,CGCVHJCZBIYRQC-UHFFFAOYSA-N
BMGC_DG06382,BMG_DG126512,CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)C4=CSC(=N4)C5=CC=CC=C5)NC2=O)C,c1(cc\2c(cc1)NC(/C2=C\c3[nH]c(c(c3C)C(NCCN(CC)CC)=O)C)=O)-c4nc(sc4)-c5ccccc5,"InChI=1S/C31H33N5O2S/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21/h7-13,16-18,33H,5-6,14-15H2,1-4H3,(H,32,38)(H,34,37)/b24-17-",QDWKGEFGLQMDAM-ULJHMMPZSA-N
BMGC_DG06383,BMG_DG126514,COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCN4CCCCC4)NC2=O,,"InChI=1S/C24H28N4O4/c1-32-19-8-5-17(6-9-19)16-28-23(30)20-10-7-18(15-21(20)26-24(28)31)22(29)25-11-14-27-12-3-2-4-13-27/h5-10,15H,2-4,11-14,16H2,1H3,(H,25,29)(H,26,31)",RLQXOTMOPGYNGI-UHFFFAOYSA-N
BMGC_DG06384,BMG_DG126526,C1=CC(=CC=C1CNCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)[123I],N(Cc1ccc(cc1)[123I])CCCC[C@@H](C(O)=O)NC(N[C@H](C(O)=O)CCC(O)=O)=O,"InChI=1S/C19H26IN3O7/c20-13-6-4-12(5-7-13)11-21-10-2-1-3-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h4-7,14-15,21H,1-3,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1/i20-4",OXUUJYOSVPMNKP-ZANJDRPYSA-N
BMGC_DG06385,BMG_DG126529,,O=C(c1c(C)n(Cc2ccc(Cl)cc2)c(-c3ccccc3)c1N)c4ccccc4,,KGXYGMKEFDUWNB-UHFFFAOYSA-N
BMGC_DG06386,BMG_DG126530,,[nH]1c2c(c3c(C)c(CC)n(CC(F)(F)F)c3cc2)c(Cl)cc1=O,,OMXGOGXEWUCLFI-UHFFFAOYSA-N
BMGC_DG06387,BMG_DG126531,,n1ccc(c2ccccc12)-c3cnn4cc(cnc43)-c5ccc(cc5)N6CCNCC6,,CDOVNWNANFFLFJ-UHFFFAOYSA-N
BMGC_DG06388,BMG_DG126533,,,,
BMGC_DG06389,BMG_DG126542,CCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)C3=CC=CC=C3,c1cccc(c1)C2CCN(CC2)c3c(c(n(cc3)CCCC)=O)Cl,"InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3",HYOGJHCDLQSAHX-UHFFFAOYSA-N
BMGC_DG06390,BMG_DG126543,CC1=NC(=C(S1)C2=CC=C(C=C2)F)C(=O)N3CCCC[C@H]3CNC(=O)C4=C5C=COC5=CC=C4,C1CC[C@H](N(C1)C(c2nc(sc2-c3ccc(cc3)F)C)=O)CNC(=O)c4c5ccoc5ccc4,"InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1",ZJXIUGNEAIHSBI-IBGZPJMESA-N
BMGC_DG06391,BMG_DG126546,C1CC1OCCOC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl,O[C@H]1[C@H](c2cc(Cc3ccc(cc3)OCCOC4CC4)c(cc2)Cl)O[C@@H]([C@H]([C@@H]1O)O)CO,"InChI=1S/C24H29ClO7/c25-19-8-3-15(24-23(29)22(28)21(27)20(13-26)32-24)12-16(19)11-14-1-4-17(5-2-14)30-9-10-31-18-6-7-18/h1-5,8,12,18,20-24,26-29H,6-7,9-11,13H2/t20-,21-,22+,23-,24+/m1/s1",BTCRKOKVYTVOLU-SJSRKZJXSA-N
BMGC_DG06392,BMG_DG126549,,c12c(c(=O)[nH]c([nH]1)=O)[nH]c(n2)Br,,ZFQWSCZYQLPFFZ-UHFFFAOYSA-N
BMGC_DG06393,BMG_DG126556,,,,
BMGC_DG06394,BMG_DG126559,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-][C@@H]1[C@@H]([C@@H]([C@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3],,"InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;4-,6+,7+,10+;/m11./s1",OAJLVMGLJZXSGX-SLAFOUTOSA-L
BMGC_DG06395,BMG_DG126562,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@@H](C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co],,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/p-2/t31-,34+,35+,36+,37-,41+,52+,53+,56?,57-,59+,60-,61-,62-;;/m0../s1",ITFLMCXLENHUAD-PMEYKKDOSA-L
BMGC_DG06396,BMG_DG126566,CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC,O(c1c(cc(CCN(CCCC(C#N)(C(C)C)c2cc(c(cc2)OC)OC)C)cc1)OC)C,"InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3",SGTNSNPWRIOYBX-UHFFFAOYSA-N
BMGC_DG06397,BMG_DG126611,[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)([O-])[O-])O)O,,"InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1?,2-,3-,4-,5+,6?/m0/s1",INAPMGSXUVUWAF-GFWFORPUSA-L
BMGC_DG06398,BMG_DG126958,C[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O,,"InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/p-1/t9-,11-,12-,13-/m1/s1",RZZPDXZPRHQOCG-OJAKKHQRSA-M
BMGC_DG06399,BMG_DG127123,CC(C(=O)NC(CCC(=O)[O-])C(=O)[O-])[NH3+],,"InChI=1S/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/p-1",VYZAGTDAHUIRQA-UHFFFAOYSA-M
BMGC_DG06400,BMG_DG127190,,,,
BMGC_DG06401,BMG_DG127191,,,,
BMGC_DG06402,BMG_DG127195,CN1C=C(C2=C1C=C(C=C2)N3CCC(CC3)OCC4=C(ON=C4C5=C(C=CC=C5Cl)Cl)C6CC6)C(=O)O,C1CN(c2cc3c(cc2)c(C(=O)O)cn3C)CCC1OCc4c(-c5c(cccc5Cl)Cl)noc4C6CC6,"InChI=1S/C28H27Cl2N3O4/c1-32-14-20(28(34)35)19-8-7-17(13-24(19)32)33-11-9-18(10-12-33)36-15-21-26(31-37-27(21)16-5-6-16)25-22(29)3-2-4-23(25)30/h2-4,7-8,13-14,16,18H,5-6,9-12,15H2,1H3,(H,34,35)",RPVDFHPBGBMWID-UHFFFAOYSA-N
BMGC_DG06403,BMG_DG127197,,n1c(oc(c2c1cc(cc2CC)OC)=O)-c3c(nccc3)N4C[C@H](CC4)N(C)C,,RCPIMTCZGQJSGZ-HNNXBMFYSA-N
BMGC_DG06404,BMG_DG127202,,c1(ncc(cn1)-c2nc3c(c(n2)N4CCOCC4)sc(c3C)CN5CCN(CC5)S(=O)(=O)C)N,,AKKCGLXULFRAET-UHFFFAOYSA-N
BMGC_DG06405,BMG_DG127208,,c1c(c(ccc1)N(C(=O)CF)Cc2cc(ccc2OC)OC)Oc3ccccc3,,NSOMTOOLHNHIJA-UHFFFAOYSA-N
BMGC_DG06406,BMG_DG127213,CC1=CC=CC=C1S(=O)(=O)[N-]C(=O)C2=CC(=C(O2)C)COC3=CC=C(C=C3)C4=NC=C(C=C4)OC.[Na+],COc1cnc(-c2ccc(OCc3cc(C(=O)[N-]S(=O)(=O)c4c(C)cccc4)oc3C)cc2)cc1.[Na+],"InChI=1S/C26H24N2O6S.Na/c1-17-6-4-5-7-25(17)35(30,31)28-26(29)24-14-20(18(2)34-24)16-33-21-10-8-19(9-11-21)23-13-12-22(32-3)15-27-23;/h4-15H,16H2,1-3H3,(H,28,29);/q;+1/p-1",TVDHMDXPKGMXRT-UHFFFAOYSA-M
BMGC_DG06407,BMG_DG127216,COC(CNC(=O)N)C[Hg]Cl,,"InChI=1S/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1",BJFGVYCULWBXKF-UHFFFAOYSA-M
BMGC_DG06408,BMG_DG127217,,CCNC(=O)c1cc2c(-c3cc(c(cc3Cl)Cl)OCCN4CCCC4)nc(N)nc2s1,,WJUNQSYQHHIVFX-UHFFFAOYSA-N
BMGC_DG06409,BMG_DG127223,,,,
BMGC_DG06410,BMG_DG127226,,,,
BMGC_DG06411,BMG_DG127227,,,,
BMGC_DG06412,BMG_DG127228,,C(c1cc(c(cc1)C)/C=C/n2cnc3c(ncnc23)NC4CC4)(=O)Nc5cc(ccn5)C(F)(F)F,,PPHMKXKASWTCSZ-VQHVLOKHSA-N
BMGC_DG06413,BMG_DG127234,CC(C)(CC1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)OC)O,COc1ccc2[nH]c(C(N3CCC(CC(O)(C)C)CC3)=O)cc2c1,"InChI=1S/C19H26N2O3/c1-19(2,23)12-13-6-8-21(9-7-13)18(22)17-11-14-10-15(24-3)4-5-16(14)20-17/h4-5,10-11,13,20,23H,6-9,12H2,1-3H3",OXSCPDKUZWPWFR-UHFFFAOYSA-N
BMGC_DG06414,BMG_DG127239,,C(c1c(ccc(c1)C)NC(c2cc(ccc2)S(=O)(=O)n3ccc4c(c(ccc34)OC)C)=O)(=O)O,,LYXBTAXWNCLYLA-UHFFFAOYSA-N
BMGC_DG06415,BMG_DG127240,,C1CC(C1)c2nc3c(nccn3)n2Cc4cc(=O)[nH]c5c4ccc(c5F)F,,ISGGXCWQSOCOCW-UHFFFAOYSA-N
BMGC_DG06416,BMG_DG127242,COCCNCC1=CN=C(C=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F,c1(ccc(cc1)F)NC(C2(C(Nc3ccc(Oc4ccnc5cc(-c6ncc(CNCCOC)cc6)sc45)c(F)c3)=O)CC2)=O,"InChI=1S/C33H29F2N5O4S/c1-43-15-14-36-18-20-2-8-25(38-19-20)29-17-26-30(45-29)28(10-13-37-26)44-27-9-7-23(16-24(27)35)40-32(42)33(11-12-33)31(41)39-22-5-3-21(34)4-6-22/h2-10,13,16-17,19,36H,11-12,14-15,18H2,1H3,(H,39,41)(H,40,42)",WLAVZAAODLTUSW-UHFFFAOYSA-N
BMGC_DG06417,BMG_DG127248,C1=CC=C(C(=C1)C(=O)O)O.C(CO)N(CCO)CCO,c1(ccccc1O)C(=O)O.N(CCO)(CCO)CCO,"InChI=1S/C7H6O3.C6H15NO3/c8-6-4-2-1-3-5(6)7(9)10;8-4-1-7(2-5-9)3-6-10/h1-4,8H,(H,9,10);8-10H,1-6H2",UEVAMYPIMMOEFW-UHFFFAOYSA-N
BMGC_DG06418,BMG_DG127250,,N1(Cc2ccccc2)CCC(CC1)N(C(=O)CC)c3ccccc3,,POQDXIFVWVZVML-UHFFFAOYSA-N
BMGC_DG06419,BMG_DG127252,CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CCCCC3,C=1(c2c(N(C)C(CN1)=O)ccc(c2)Cl)C=3CCCCC3,"InChI=1S/C16H17ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h5,7-9H,2-4,6,10H2,1H3",IQWYAQCHYZHJOS-UHFFFAOYSA-N
BMGC_DG06420,BMG_DG127264,,,,
BMGC_DG06421,BMG_DG127272,C1CCC(CC1)COC2=CC=CC(=C2)[C@@H](CCN)O,[C@H](CCN)(O)c1cc(OCC2CCCCC2)ccc1,"InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2/t16-/m1/s1",WJIGGYYSZBWCGC-MRXNPFEDSA-N
BMGC_DG06422,BMG_DG127278,CC(C)(CC1=CC=CC=C1Cl)N,c1(CC(N)(C)C)c(Cl)cccc1,"InChI=1S/C10H14ClN/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6H,7,12H2,1-2H3",HXCXASJHZQXCKK-UHFFFAOYSA-N
BMGC_DG06423,BMG_DG127291,C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4,N1(CCC(CC1)(C(=O)N[C@@H](CCO)c2ccc(cc2)Cl)N)c3c4c(ncn3)[nH]cc4,"InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m0/s1",JDUBGYFRJFOXQC-KRWDZBQOSA-N
BMGC_DG06424,BMG_DG127293,CC1=NC2=C(C(=N1)NC3=NNC4=C3CN(C4(C)C)C(=O)N[C@H](CN(C)C)C5=CC=CC=C5)SC=C2,n1[nH]c2c(c1Nc3c4c(nc(n3)C)ccs4)CN(C2(C)C)C(=O)N[C@H](CN(C)C)c5ccccc5,"InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1",AYCPARAPKDAOEN-LJQANCHMSA-N
BMGC_DG06425,BMG_DG127294,CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I,c1(c(c(NC(=O)CCCCC(Nc2c(c(C(=O)O)c(c(c2I)C(=O)NC)I)I)=O)c(c(c1I)C(=O)O)I)I)C(=O)NC,"InChI=1S/C24H20I6N4O8/c1-31-21(37)9-13(25)11(23(39)40)17(29)19(15(9)27)33-7(35)5-3-4-6-8(36)34-20-16(28)10(22(38)32-2)14(26)12(18(20)30)24(41)42/h3-6H2,1-2H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)(H,39,40)(H,41,42)",SMQYOVYWPWASGU-UHFFFAOYSA-N
BMGC_DG06426,BMG_DG127299,,,,
BMGC_DG06427,BMG_DG127300,,,,
BMGC_DG06428,BMG_DG127301,,,,
BMGC_DG06429,BMG_DG127311,,N#CC1(c2ccccn2)CCN(Cc3cc(C(=O)O)c(=O)n4ccccc34)CC1,,RJTJRVASUFIDQM-UHFFFAOYSA-N
BMGC_DG06430,BMG_DG127316,COC1=CC=CC(=C1)C(=O)COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3,O=C1C(Cc2ccc(OCC(c3cccc(OC)c3)=O)cc2)SC(=O)N1,"InChI=1S/C19H17NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,17H,9,11H2,1H3,(H,20,22,23)",YAUMOGALQJYOJQ-UHFFFAOYSA-N
BMGC_DG06431,BMG_DG127336,,c12c(cc(s1)C(=O)Nc3c(c(ccc3)-c4cn(c(c(n4)Nc5ccc(cc5)[C@H]6N(CCN(C6=O)C)C)=O)C)C)CCCC2,,CDOOFZZILLRUQH-GDLZYMKVSA-N
BMGC_DG06432,BMG_DG127349,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34CO,[H][C@@]12CCC(=O)[C@]1(CC[C@]3([H])[C@]4(CO)C(=CC(CC4)=O)CC[C@@]23[H])C,"InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1",XGUHPTGEXRHMQQ-BGJMDTOESA-N
BMGC_DG06433,BMG_DG127353,CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C,,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3",GMRQFYUYWCNGIN-UHFFFAOYSA-N
BMGC_DG06434,BMG_DG127356,CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC5=CC=C(C=C5)O)N,,"InChI=1S/C63H83N17O14/c1-34(2)24-45(58(90)74-43(18-11-23-70-63(68)69)57(89)75-44(54(67)86)26-35-12-5-3-6-13-35)73-53(85)32-72-56(88)46(27-36-14-7-4-8-15-36)77-62(94)50(33-81)80-61(93)49(30-52(66)84)79-59(91)47(28-38-31-71-42-17-10-9-16-40(38)42)78-60(92)48(29-51(65)83)76-55(87)41(64)25-37-19-21-39(82)22-20-37/h3-10,12-17,19-22,31,34,41,43-50,71,81-82H,11,18,23-30,32-33,64H2,1-2H3,(H2,65,83)(H2,66,84)(H2,67,86)(H,72,88)(H,73,85)(H,74,90)(H,75,89)(H,76,87)(H,77,94)(H,78,92)(H,79,91)(H,80,93)(H4,68,69,70)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1",RITKWYDZSSQNJI-INXYWQKQSA-N
BMGC_DG06435,BMG_DG127400,,c1(nc2c(c(n1)N3CCOCC3)sc(c2)C(O)(C)C)-c4cnc(nc4)N,,LEXMMFPAPDGYGZ-UHFFFAOYSA-N
BMGC_DG06436,BMG_DG127402,CC(=O)O[C@H]1C[C@H]([C@@]2(CC[C@H]3C(=O)O[C@H](C[C@@]3([C@H]2C1=O)C)C4=COC=C4)C)C(=O)OC,,"InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17+,19-,22-,23-/m0/s1",OBSYBRPAKCASQB-KWMFLVSKSA-N
BMGC_DG06437,BMG_DG127403,CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=N4)C5=CC(=CC=C5)N)C,[C@H]1([C@H](C([C@](C(O[C@@H]([C@@]2([C@@]([C@H](C([C@@H](C[C@@]1(C)OC)C)=O)C)(N(C(O2)=O)CCCCn3nnc(c3)-c4cccc(c4)N)[H])C)CC)=O)(C)F)=O)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O,"InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26+,27+,31+,32-,34-,35-,37-,38+,41-,42+,43-/m1/s1",IXXFZUPTQVDPPK-ZAWHAJPISA-N
BMGC_DG06438,BMG_DG127405,,,,
BMGC_DG06439,BMG_DG127406,,,,
BMGC_DG06440,BMG_DG127493,C([C@@H]1C([C@@H](C(C(O1)O)NS(=O)(=O)[O-])O)O[C@H]2C([C@H](C(C(O2)C(=O)[O-])O)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-],,"InChI=1S/C12H21NO20S3/c14-4-3(13-34(20,21)22)11(19)30-2(1-29-35(23,24)25)7(4)31-12-9(33-36(26,27)28)6(16)5(15)8(32-12)10(17)18/h2-9,11-16,19H,1H2,(H,17,18)(H,20,21,22)(H,23,24,25)(H,26,27,28)/p-4/t2-,3?,4-,5?,6+,7?,8?,9?,11?,12-/m1/s1",OHJKXVLJWUPWQG-IUYNYSEKSA-J
BMGC_DG06441,BMG_DG127494,C(C(C(=O)NCC(=O)[O-])[NH3+])S,,"InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)",ZUKPVRWZDMRIEO-UHFFFAOYSA-N
BMGC_DG06442,BMG_DG127567,CP(=O)(CCC(C(=O)[O-])[NH3+])[O-],,"InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/p-1",IAJOBQBIJHVGMQ-UHFFFAOYSA-M
BMGC_DG06443,BMG_DG127662,COC1=CC(=CC(=C1O)OC)/C=C/C(=O)NCCC2=CC=C(C=C2)O,,"InChI=1S/C19H21NO5/c1-24-16-11-14(12-17(25-2)19(16)23)5-8-18(22)20-10-9-13-3-6-15(21)7-4-13/h3-8,11-12,21,23H,9-10H2,1-2H3,(H,20,22)/b8-5+",IEDBNTAKVGBZEP-VMPITWQZSA-N
BMGC_DG06444,BMG_DG127934,CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)[C@@H](C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C,,"InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36+,37+,43-,44-,45-,46-,47-,48-,49-,50+,60-,61-/m0/s1",DOAKLVKFURWEDJ-KUSUSGESSA-N
BMGC_DG06445,BMG_DG127943,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=C(C4)NN=C5)C,[C@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)(O)C)[H])([H])CC[C@]1(Cc5[nH]ncc5C2)[H])[H])C,"InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1",LKAJKIOFIWVMDJ-IYRCEVNGSA-N
BMGC_DG06446,BMG_DG127953,CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O,c12sc(CN3CCN(C([C@@H](O)C)=O)CC3)c(C)c1nc(-c4cnc(N)nc4)nc2N5CCOCC5,"InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1",YOVVNQKCSKSHKT-HNNXBMFYSA-N
BMGC_DG06447,BMG_DG127956,CC(C)CNC(=O)/C=C/CCCC/C=C/C1=CC2=C(C=C1)OCO2,,"InChI=1S/C20H27NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h7-13,16H,3-6,14-15H2,1-2H3,(H,21,22)/b9-7+,10-8+",PAXQNYHJDFKFEU-FIFLTTCUSA-N
BMGC_DG06448,BMG_DG127957,,n1n(c2c(c1C)cc(s2)C(=O)Nc3cnc(cc3)N4CCC(CC4)O)C5CCCCC5,,NFWMSIMJLJHZPQ-UHFFFAOYSA-N
BMGC_DG06449,BMG_DG127961,,o1c(cc2c1c(cc(c2)C#N)-c3cc(ccc3)F)[C@@](c4cncn4C)(c5ccc(cc5)C#N)N,,BCNAPHWOUDETDR-MHZLTWQESA-N
BMGC_DG06450,BMG_DG127968,C(C(CO)OP(=O)(O)O)O,P(OC(CO)CO)(=O)(O)O,"InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)",DHCLVCXQIBBOPH-UHFFFAOYSA-N
BMGC_DG06451,BMG_DG127972,C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C,C(c1cc(ccc1)-c2ccc3c(nc(nc3n2)N4[C@H](COCC4)C)N5[C@H](COCC5)C)(=O)NC,"InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1",JUSFANSTBFGBAF-IRXDYDNUSA-N
BMGC_DG06452,BMG_DG127973,C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C,c12c(nc(nc1N3CCOC[C@@H]3C)N4CCOC[C@@H]4C)nc(cc2)-c5ccc(c(c5)CO)OC,"InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1",KVLFRAWTRWDEDF-IRXDYDNUSA-N
BMGC_DG06453,BMG_DG127974,,,,
BMGC_DG06454,BMG_DG127975,,c12nc(cc(n1ncn2)Nc3ccc(cc3)C(F)(F)F)C,,LRHHXKBKRNNFRV-UHFFFAOYSA-N
BMGC_DG06455,BMG_DG127981,,O=C(CCN1CCN(CC1)C(=O)OCc2cc(cc(c2)Cl)Cl)c3cc4c(cc3)[nH]c(=O)o4,,JMSUDQYHPSNBSN-UHFFFAOYSA-N
BMGC_DG06456,BMG_DG127988,C1CN(C(=O)N[C@@H]1O)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F,FC1(F)[C@@H](O[C@@H]([C@H]1O)CO)N2C(=O)N[C@@H](CC2)O,"InChI=1S/C9H14F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4-7,14-16H,1-3H2,(H,12,17)/t4-,5-,6-,7-/m1/s1",VUDZSIYXZUYWSC-DBRKOABJSA-N
BMGC_DG06457,BMG_DG127996,,C(Oc1c(NC(C)=O)cc2c(c1)ncc(c2Nc3cc(c(cc3)OCc4ncccc4)Cl)C#N)C,,YUNSMEPCTRVPTN-UHFFFAOYSA-N
BMGC_DG06458,BMG_DG127999,,C(c1c(cc(cc1)NC(COS(=O)(=O)c2ccc(C)cc2)=O)O)(=O)O,,HWNUSGNZBAISFM-UHFFFAOYSA-N
BMGC_DG06459,BMG_DG128010,,,,
BMGC_DG06460,BMG_DG128011,CC(C)C[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2,,"InChI=1S/C18H21NO4S/c1-13(2)12-17(18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)/t17-/m1/s1",FBSVJQQVDISETN-QGZVFWFLSA-N
BMGC_DG06461,BMG_DG128013,CC1=CC(=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)Cl)OC(C)C,,"InChI=1S/C19H16Cl2O3/c1-10(2)23-16-8-11(3)4-6-13(16)19-17(21)18(22)14-9-12(20)5-7-15(14)24-19/h4-10H,1-3H3",PWGZOUCWGRTPSM-UHFFFAOYSA-N
BMGC_DG06462,BMG_DG128045,,c1(OC[C@@H](CNC(C)(C)C)O)ccccc1-c2ccccc2,,DBHPVKNFKBKJCE-MRXNPFEDSA-N
BMGC_DG06463,BMG_DG128067,CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C)C(=O)C)I,c1(c(c(NC(=O)C)c(c(c1I)C(=O)O)I)I)N(C(=O)C)C,"InChI=1S/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)",GGGDNPWHMNJRFN-UHFFFAOYSA-N
BMGC_DG06464,BMG_DG128077,CN(C)CCN(CC1=CC=C(C=C1)Cl)C2=CC=CC=N2,N(CCN(C)C)(c1ccccn1)Cc2ccc(cc2)Cl,"InChI=1S/C16H20ClN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3",ICKFFNBDFNZJSX-UHFFFAOYSA-N
BMGC_DG06465,BMG_DG128089,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)N3C=C[N+](=C3)CC(C4=C(C=C(C=C4)Cl)Cl)OCC5=C(C=C(C=C5)Cl)Cl)Cl,c1[n+](ccn1C(c2ccc(cc2)Cl)c3ccc(cc3)Cl)CC(OCc4c(cc(cc4)Cl)Cl)c5c(cc(cc5)Cl)Cl,"InChI=1S/C31H23Cl6N2O/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36/h1-16,19,30-31H,17-18H2/q+1",CTKNMSVWMRRCPW-UHFFFAOYSA-N
BMGC_DG06466,BMG_DG128097,CC1=CC=CC=C1C(C2=CC=CC=C2)OCCNC,c1(C(c2ccccc2)OCCNC)c(C)cccc1,"InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)17(19-13-12-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3",PNYKGCPSFKLFKA-UHFFFAOYSA-N
BMGC_DG06467,BMG_DG128126,CC(CC1=C2C3=C(C(=C(C4=C3C(=C5C2=C(C(=O)C=C5OC)C(=C1OC)O)C(=CC4=O)OC)O)OC)CC(C)OC(=O)OC6=CC=C(C=C6)O)OC(=O)C7=CC=CC=C7,,"InChI=1S/C44H38O14/c1-20(56-43(50)22-10-8-7-9-11-22)16-25-31-32-26(17-21(2)57-44(51)58-24-14-12-23(45)13-15-24)42(55-6)40(49)34-28(47)19-30(53-4)36(38(32)34)35-29(52-3)18-27(46)33(37(31)35)39(48)41(25)54-5/h7-15,18-21,45,48-49H,16-17H2,1-6H3",LSUTUUOITDQYNO-UHFFFAOYSA-N
BMGC_DG06468,BMG_DG128132,,c1ccc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1,,PKQSDHHTBMYENT-UHFFFAOYSA-N
BMGC_DG06469,BMG_DG128146,CN(C)C(=O)COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N,c1cc(ccc1NC(N)=N)C(Oc2ccc(CC(OCC(N(C)C)=O)=O)cc2)=O,"InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)",XASIMHXSUQUHLV-UHFFFAOYSA-N
BMGC_DG06470,BMG_DG128147,CC(=O)O[C@@H]1[C@H](CN[C@@H]1CC2=CC=C(C=C2)OC)O,N1[C@@H]([C@H](OC(=O)C)[C@H](C1)O)Cc2ccc(cc2)OC,"InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1",YKJYKKNCCRKFSL-RDBSUJKOSA-N
BMGC_DG06471,BMG_DG128153,CC1(C2CCC1(C(=O)C2)C)C,,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3",DSSYKIVIOFKYAU-UHFFFAOYSA-N
BMGC_DG06472,BMG_DG128158,,C(CNCCCN)NCCCN,,RXFCIXRFAJRBSG-UHFFFAOYSA-N
BMGC_DG06473,BMG_DG128160,,Oc1c2c3[C@@](Cc4cc(Oc5cc6[C@@](Cc7ccc(O2)cc7)(N(C)CCc6cc5OC)[H])c(cc4)O)(N(C)CCc3cc1OC)[H],,NGZXDRGWBULKFA-VSGBNLITSA-N
BMGC_DG06474,BMG_DG128162,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C,C1(c2c(cccc2)C(c3c1cccc3)(C)C)=CCCN(C)C,"InChI=1S/C21H25N/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h5-8,10-14H,9,15H2,1-4H3",GWWLWDURRGNSRS-UHFFFAOYSA-N
BMGC_DG06475,BMG_DG128163,CN1C(=CC(=O)C2=C1C=C(C=C2)OC)C3=CC=CC=C3,COc1ccc2c(=O)cc(-c3ccccc3)n(C)c2c1,"InChI=1S/C17H15NO2/c1-18-15(12-6-4-3-5-7-12)11-17(19)14-9-8-13(20-2)10-16(14)18/h3-11H,1-2H3",SNNYHVVKJUPXKZ-UHFFFAOYSA-N
BMGC_DG06476,BMG_DG128176,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6,n1(c(nc2c1c(C(OC(OC(OC3CCCCC3)=O)C)=O)ccc2)OCC)Cc4ccc(-c5c(-c6nnn[nH]6)cccc5)cc4,"InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)",GHOSNRCGJFBJIB-UHFFFAOYSA-N
BMGC_DG06477,BMG_DG128178,CCOC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC=CC=C3SC)OC,n1c(oc(c2c1cc(c(c2)OCC)OC)=O)-c3c(cccc3)SC,"InChI=1S/C18H17NO4S/c1-4-22-15-9-12-13(10-14(15)21-2)19-17(23-18(12)20)11-7-5-6-8-16(11)24-3/h5-10H,4H2,1-3H3",JTQBMTFVGGUDPN-UHFFFAOYSA-N
BMGC_DG06478,BMG_DG128184,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O,n1(c(nc2c1c(C(O)=O)ccc2)OCC)Cc3ccc(-c4c(-c5nnn[nH]5)cccc4)cc3,"InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)",HTQMVQVXFRQIKW-UHFFFAOYSA-N
BMGC_DG06479,BMG_DG128196,C(P(=O)(O)O)(P(=O)(O)O)(Cl)Cl,C(Cl)(Cl)(P(O)(=O)O)P(O)(=O)O,"InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)",ACSIXWWBWUQEHA-UHFFFAOYSA-N
BMGC_DG06480,BMG_DG128201,COC(=O)NC1=NC2=CC=CC=C2N1,c1(nc2ccccc2[nH]1)NC(=O)OC,"InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)",TWFZGCMQGLPBSX-UHFFFAOYSA-N
BMGC_DG06481,BMG_DG128202,CCCCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C=C3)C)(C)C)O,c12-c3c(ccc(c3)C)C(Oc1cc(cc2O)CCCCC)(C)C,"InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3",VBGLYOIFKLUMQG-UHFFFAOYSA-N
BMGC_DG06482,BMG_DG128203,CCCC(C)(CO[N+](=O)[O-])CO[N+](=O)[O-],C(C(CCC)(CO[N+](=O)[O-])C)O[N+](=O)[O-],"InChI=1S/C7H14N2O6/c1-3-4-7(2,5-14-8(10)11)6-15-9(12)13/h3-6H2,1-2H3",BLJBDLGFKNXUCB-UHFFFAOYSA-N
BMGC_DG06483,BMG_DG128209,C1[C@H](C2=C(NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O,n1(c2c([C@@H](CNC=N2)O)nc1)[C@@H]3O[C@H](CO)[C@H]([C@H]3O)O,"InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1",YOOVTUPUBVHMPG-LODYRLCVSA-N
BMGC_DG06484,BMG_DG128226,C1=C2C(=C3C=C(C(=O)C(=C3OC2=C(C(=C1I)O)I)I)I)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O,,"InChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)",VDNLFJGJEQUWRB-UHFFFAOYSA-N
BMGC_DG06485,BMG_DG128227,CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N,,"InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)",CZGUSIXMZVURDU-UHFFFAOYSA-N
BMGC_DG06486,BMG_DG128242,C1=CC(=CN=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@](O2)(COC(=O)C3=CN=CC=C3)O)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5,O([C@H]1[C@@H]([C@@H](COC(c2cccnc2)=O)O[C@@]1(COC(c3cccnc3)=O)O)OC(=O)c4cccnc4)C(c5cccnc5)=O,"InChI=1S/C30H24N4O10/c35-26(19-5-1-9-31-13-19)40-17-23-24(42-28(37)21-7-3-11-33-15-21)25(43-29(38)22-8-4-12-34-16-22)30(39,44-23)18-41-27(36)20-6-2-10-32-14-20/h1-16,23-25,39H,17-18H2/t23-,24-,25+,30-/m1/s1",FUWFSXZKBMCSKF-ZASNTINBSA-N
BMGC_DG06487,BMG_DG128244,C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)OC2=CC=C(C=C2)[N+](=O)[O-],P(Oc1ccc([N+](=O)[O-])cc1)(Oc2ccc([N+](=O)[O-])cc2)(O)=O,"InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)",MHSVUSZEHNVFKW-UHFFFAOYSA-N
BMGC_DG06488,BMG_DG128249,C[N+](C)(C)CCOC(=O)N,C(=O)(N)OCC[N+](C)(C)C,"InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1",VPJXQGSRWJZDOB-UHFFFAOYSA-O
BMGC_DG06489,BMG_DG128257,[NH4+].[Cl-],[NH4+].[Cl-],InChI=1S/ClH.H3N/h1H;1H3,NLXLAEXVIDQMFP-UHFFFAOYSA-N
BMGC_DG06490,BMG_DG128264,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,N1(C(=O)N)c2c(C=Cc3c1cccc3)cccc2,"InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)",FFGPTBGBLSHEPO-UHFFFAOYSA-N
BMGC_DG06491,BMG_DG128268,C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N,C12C(c3c(cccc3)N(c4c1cccc4)C(=O)N)O2,"InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)",ZRWWEEVEIOGMMT-UHFFFAOYSA-N
BMGC_DG06492,BMG_DG128277,,CCOC(=O)c1ccc[nH]1,,PAEYAKGINDQUCT-UHFFFAOYSA-N
BMGC_DG06493,BMG_DG128287,,n1nc2ccccc2c(c1)O,,UFMBERDMCRCVSM-UHFFFAOYSA-N
BMGC_DG06494,BMG_DG128307,,O=C1C(Br)=C(Br)C(=O)c2ncccc12,,CPZKOUMVYNIHQE-UHFFFAOYSA-N
BMGC_DG06495,BMG_DG128308,CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O,c1(c(oc2c1cccc2)CC)C(c3ccc(cc3)O)=O,"InChI=1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3",RFRXIWQYSOIBDI-UHFFFAOYSA-N
BMGC_DG06496,BMG_DG128321,CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2,C1(C(=O)OCCOCCN(CC)CC)(c2ccccc2)CCCC1,"InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3",CFJMRBQWBDQYMK-UHFFFAOYSA-N
BMGC_DG06497,BMG_DG128332,CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2,C(c1ccc(cc1)Cl)(c2ncccc2)OCCN(C)C,"InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3",OJFSXZCBGQGRNV-UHFFFAOYSA-N
BMGC_DG06498,BMG_DG128333,,c1(ccc(cc1)OCCCCCCC)O,,HZBABTUFXQLADL-UHFFFAOYSA-N
BMGC_DG06499,BMG_DG128338,CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC(C3=CC(=CC(=C3)O)O)O,C(CCn1cnc2n(C)c(=O)n(c(=O)c12)C)NCC(O)c3cc(O)cc(O)c3,"InChI=1S/C18H23N5O5/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3",WVLAAKXASPCBGT-UHFFFAOYSA-N
BMGC_DG06500,BMG_DG128344,CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C,c12OC(C)(C)Cc1cccc2OC(=O)NC,"InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)",DUEPRVBVGDRKAG-UHFFFAOYSA-N
BMGC_DG06501,BMG_DG128353,C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@H]2O)O)CCC4=C3C=CC(=C4)O,c1(ccc2[C@]3(CC[C@@]4([C@@H]([C@@H](C[C@]4([C@@]3(CCc2c1)[H])[H])O)O)C)[H])O,"InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17-,18+/m1/s1",PROQIPRRNZUXQM-PNVOZDDCSA-N
BMGC_DG06502,BMG_DG128366,CC1=C(C(=O)C(=C(C1=O)N2CC2)C(COC(=O)N)OC)N3CC3,C1(=C(C(C(N2CC2)=C(C1=O)C)=O)C(COC(N)=O)OC)N3CC3,"InChI=1S/C15H19N3O5/c1-8-11(17-3-4-17)14(20)10(9(22-2)7-23-15(16)21)12(13(8)19)18-5-6-18/h9H,3-7H2,1-2H3,(H2,16,21)",SHHKQEUPHAENFK-UHFFFAOYSA-N
BMGC_DG06503,BMG_DG128369,C(C(C(=O)O)N)S(=O)(=O)O,S(CC(C(=O)O)N)(=O)(=O)O,"InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)",XVOYSCVBGLVSOL-UHFFFAOYSA-N
BMGC_DG06504,BMG_DG128372,,N(c1ccccc1)(c2ccccc2)C(NC)=O,,IMFYAZJNDOZIFV-UHFFFAOYSA-N
BMGC_DG06505,BMG_DG128402,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=N[N-]4)CO)Cl,,"InChI=1S/C22H22ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3/q-1",MDMTUGIZSFHDIC-UHFFFAOYSA-N
BMGC_DG06506,BMG_DG128410,CCCC(C)(COC(=O)N)COC(=O)NC(C)C,C(NC(C)C)(=O)OCC(COC(=O)N)(CCC)C,"InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)",OFZCIYFFPZCNJE-UHFFFAOYSA-N
BMGC_DG06507,BMG_DG128415,C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C,C1(CC[C@@]2([C@]3(CC[C@@]4([C@H](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])C(CO)=O)C)[H])C)=O,"InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15+,16+,17+,18-,20+,21+/m1/s1",USPYDUPOCUYHQL-VEVMSBRDSA-N
BMGC_DG06508,BMG_DG128421,CCCCCCNC(=O)N1C=C(C(=O)NC1=O)F,n1(c([nH]c(=O)c(c1)F)=O)C(NCCCCCC)=O,"InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)",AOCCBINRVIKJHY-UHFFFAOYSA-N
BMGC_DG06509,BMG_DG128431,C(CCl)NC(=O)N(CCCl)N=O,N(C(=O)NCCCl)(N=O)CCCl,"InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)",DLGOEMSEDOSKAD-UHFFFAOYSA-N
BMGC_DG06510,BMG_DG128433,,C[C@@]12[C@]([C@]3([C@](CC1)(c4c(CC3)cc(cc4)OC5OCCCC5)[H])[H])(CC[C@@H]2O)[H],,BOLMNLJKDBCJIB-CUFSGNDSSA-N
BMGC_DG06511,BMG_DG128445,,c1ccc(cc1)COC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O,,SCIBOUZRPFCBFX-HOTGVXAUSA-N
BMGC_DG06512,BMG_DG128449,C(C[C@@H](C(=O)[O-])[NH3+])CN=C(N)NO,,"InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1",FQWRAVYMZULPNK-BYPYZUCNSA-N
BMGC_DG06513,BMG_DG128451,C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N,N1(CCC(CC1)(N2CCCCC2)C(=O)N)CCCN3c4c(CCc5c3cccc5)cccc4,"InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)",NWPJLRSCSQHPJV-UHFFFAOYSA-N
BMGC_DG06514,BMG_DG128453,CCCCOCC(CN1C(=O)C(C(=O)NC1=O)(CC)C2=CC=CC=C2)OC(=O)N,C1(c2ccccc2)(C(N(CC(COCCCC)OC(N)=O)C(=O)NC1=O)=O)CC,"InChI=1S/C20H27N3O6/c1-3-5-11-28-13-15(29-18(21)26)12-23-17(25)20(4-2,16(24)22-19(23)27)14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3,(H2,21,26)(H,22,24,27)",QHZQILHUJDRDAI-UHFFFAOYSA-N
BMGC_DG06515,BMG_DG128462,CC(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)C(=O)O,[nH]1c2c(ccc(c2)C(C(=O)O)C)c3c1ccc(c3)Cl,"InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)",PUXBGTOOZJQSKH-UHFFFAOYSA-N
BMGC_DG06516,BMG_DG128475,CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O,N1c2c(c(OCC(CNC(C)(C)C)O)ccc2)CCC1=O,"InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)",LWAFSWPYPHEXKX-UHFFFAOYSA-N
BMGC_DG06517,BMG_DG128487,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,[nH]1c2c(c(OCC(O)CNCCOc3c(OC)cccc3)ccc2)c4c1cccc4,"InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3",OGHNVEJMJSYVRP-UHFFFAOYSA-N
BMGC_DG06518,BMG_DG128495,CC1=C2COC(=O)C2=C(C(=C1O)C/C=C(\C)/CCC(=O)O)O,,"InChI=1S/C16H18O6/c1-8(4-6-12(17)18)3-5-10-14(19)9(2)11-7-22-16(21)13(11)15(10)20/h3,19-20H,4-7H2,1-2H3,(H,17,18)/b8-3+",MHSRNZSBNXFMLF-FPYGCLRLSA-N
BMGC_DG06519,BMG_DG128504,,c1(N2C(N=C(N=C2N)N)(C)C)cc(c(cc1)Cl)Cl,,FPULLBVUFHTKQQ-UHFFFAOYSA-N
BMGC_DG06520,BMG_DG128507,C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(C5O)O)C=C2,,"InChI=1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H",YDXRLMMGARHIIC-UHFFFAOYSA-N
BMGC_DG06521,BMG_DG128516,[Br-],[Br-],InChI=1S/BrH/h1H/p-1,CPELXLSAUQHCOX-UHFFFAOYSA-M
BMGC_DG06522,BMG_DG128518,CN1C2=CC=CC=C2N=N1,c12c(cccc1)nnn2C,"InChI=1S/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3",HXQHRUJXQJEGER-UHFFFAOYSA-N
BMGC_DG06523,BMG_DG128533,,c12c3c(ccc(c3)O)ccc2OCN(C1)Cc4ccccc4,,CLOONOJPKIVAIE-UHFFFAOYSA-N
BMGC_DG06524,BMG_DG128541,,,,
BMGC_DG06525,BMG_DG128542,,C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(CC3)=CC(CC4)=O)[H])[H])(CC[C@@H]2C(COS(c5ccc(cc5)Br)(=O)=O)=O)[H],,ZQNARVKYKGBJES-YNHSGCSHSA-N
BMGC_DG06526,BMG_DG128543,COC1=CC2=NC=CC3=C2N(C1=O)C4=CC=CC=C34,n1ccc2c3n(c(c(cc13)OC)=O)c4ccccc42,"InChI=1S/C15H10N2O2/c1-19-13-8-11-14-10(6-7-16-11)9-4-2-3-5-12(9)17(14)15(13)18/h2-8H,1H3",TXEFUSAHPIYZHD-UHFFFAOYSA-N
BMGC_DG06527,BMG_DG128547,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl,[C@]12([C@]([C@]3([C@](c4c(cc(OC(N(CCCl)CCCl)=O)cc4)CC3)([H])CC1)[H])(CC[C@@H]2OP(=O)(O)O)[H])C,"InChI=1S/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30)/t18-,19-,20+,21+,23+/m1/s1",ADFOJJHRTBFFOF-RBRWEJTLSA-N
BMGC_DG06528,BMG_DG128548,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl,[C@]12([C@]([C@]3([C@](c4c(cc(OC(N(CCCl)CCCl)=O)cc4)CC3)([H])CC1)[H])(CC[C@@H]2O)[H])C,"InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1",FRPJXPJMRWBBIH-RBRWEJTLSA-N
BMGC_DG06529,BMG_DG128552,CCC(=O)N(C1CCNCC1)C2=CC=CC=C2,C(N(c1ccccc1)C2CCNCC2)(=O)CC,"InChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3",PMCBDBWCQQBSRJ-UHFFFAOYSA-N
BMGC_DG06530,BMG_DG128556,,OCCCCC(O)=O,,PHOJOSOUIAQEDH-UHFFFAOYSA-N
BMGC_DG06531,BMG_DG128564,,[Fe+2].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N,,UETZVSHORCDDTH-UHFFFAOYSA-N
BMGC_DG06532,BMG_DG128592,CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C,[C@]12([C@]3(CC[C@]4([C@@](C)(CC[C@]5(CC[C@H]([C@@]54[H])C(=C)C)C)[C@@]3(CC[C@@]1([H])C([C@@H](O)CC2)(C)C)C)[H])[H])C,"InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1",MQYXUWHLBZFQQO-QGTGJCAVSA-N
BMGC_DG06533,BMG_DG128599,C[C@H](CO)O,C[C@H](CO)O,"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1",DNIAPMSPPWPWGF-GSVOUGTGSA-N
BMGC_DG06534,BMG_DG128600,Br,Br,InChI=1S/BrH/h1H,CPELXLSAUQHCOX-UHFFFAOYSA-N
BMGC_DG06535,BMG_DG128608,,c12c(C(=O)C=CC1=O)[nH]cn2,,UVXXFOQQHBSTIC-UHFFFAOYSA-N
BMGC_DG06536,BMG_DG128613,C1=CC(=CC(=C1)Cl)NN=C(C#N)C#N,c1(cc(ccc1)Cl)NN=C(C#N)C#N,"InChI=1S/C9H5ClN4/c10-7-2-1-3-8(4-7)13-14-9(5-11)6-12/h1-4,13H",UGTJLJZQQFGTJD-UHFFFAOYSA-N
BMGC_DG06537,BMG_DG128614,Cl[Au](Cl)Cl,[Au+3].[Cl-].[Cl-].[Cl-],InChI=1S/Au.3ClH/h;3*1H/q+3;;;/p-3,RJHLTVSLYWWTEF-UHFFFAOYSA-K
BMGC_DG06538,BMG_DG128619,CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(=O)C)N(C)C,c12N(c3c(cccc3)Sc1ccc(c2)C(C)=O)CC(N(C)C)C,"InChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3",XLOQNFNTQIRSOX-UHFFFAOYSA-N
BMGC_DG06539,BMG_DG128626,[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[Fe],[Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+],InChI=1S/5CO.Fe/c5*1-2;,FYOFOKCECDGJBF-UHFFFAOYSA-N
BMGC_DG06540,BMG_DG128627,C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2],[n+]1(c(cccc1)[S-])[O-].[Zn+2].[n+]1(c(cccc1)[S-])[O-],"InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2",OTPSWLRZXRHDNX-UHFFFAOYSA-L
BMGC_DG06541,BMG_DG128628,O=[Ti]=O,,InChI=1S/2O.Ti,GWEVSGVZZGPLCZ-UHFFFAOYSA-N
BMGC_DG06542,BMG_DG128638,,,,
BMGC_DG06543,BMG_DG128656,C1[C@@H]([C@H]1N)C2=CC=CC=C2,,"InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1",AELCINSCMGFISI-BDAKNGLRSA-N
BMGC_DG06544,BMG_DG128663,,,,
BMGC_DG06545,BMG_DG128665,CC(=O)N1C=C(C2=C1C=CC(=C2)O)CCN,,"InChI=1S/C12H14N2O2/c1-8(15)14-7-9(4-5-13)11-6-10(16)2-3-12(11)14/h2-3,6-7,16H,4-5,13H2,1H3",AZRQSPSPOGVDRQ-UHFFFAOYSA-N
BMGC_DG06546,BMG_DG128676,CCCC1C(=O)N2C3=C(C=CC(=C3)C)N=C(N2C1=O)N(C)C,N12N(C(=O)C(C1=O)CCC)c3cc(C)ccc3N=C2N(C)C,"InChI=1S/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11H,5-6H2,1-4H3",MPHPHYZQRGLTBO-UHFFFAOYSA-N
BMGC_DG06547,BMG_DG128678,CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O,,"InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)",BOEGTKLJZSQCCD-UHFFFAOYSA-N
BMGC_DG06548,BMG_DG128679,,C12=C3C(=CC(=O)CC3)CC[C@]1([C@]4([C@]([C@](O)(C)CC4)(C)C=C2)[H])[H],,CCCIJQPRIXGQOE-XWSJACJDSA-N
BMGC_DG06549,BMG_DG128680,O=[As]O[As]=O,,InChI=1S/As2O3/c3-1-5-2-4,IKWTVSLWAPBBKU-UHFFFAOYSA-N
BMGC_DG06550,BMG_DG128682,COCC(CN1C=CN=C1[N+](=O)[O-])O,c1([N+]([O-])=O)n(ccn1)CC(O)COC,"InChI=1S/C7H11N3O4/c1-14-5-6(11)4-9-3-2-8-7(9)10(12)13/h2-3,6,11H,4-5H2,1H3",OBBCSXFCDPPXOL-UHFFFAOYSA-N
BMGC_DG06551,BMG_DG128706,CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO,[C@@]12([C@@](C(=O)CO)(CC[C@]2([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)[H])(CCC(C4)=O)C)[H])[H])OC(=O)CCC)C,"InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1",BMCQMVFGOVHVNG-TUFAYURCSA-N
BMGC_DG06552,BMG_DG128709,,c1(cc(c2c(o1)cccc2)=O)-c3ccc(cc3)F,,ZHXIMGYEMBZGOI-UHFFFAOYSA-N
BMGC_DG06553,BMG_DG128723,,S(Nc1cc(C(CNC(C)C)O)ccc1O)(=O)(=O)C,,HHRNQOGXBRYCHF-UHFFFAOYSA-N
BMGC_DG06554,BMG_DG128733,CC(CC1=CC2=C(C(=C1)OC)OCO2)N,c12OCOc1cc(CC(C)N)cc2OC,"InChI=1S/C11H15NO3/c1-7(12)3-8-4-9(13-2)11-10(5-8)14-6-15-11/h4-5,7H,3,6,12H2,1-2H3",YQYUWUKDEVZFDB-UHFFFAOYSA-N
BMGC_DG06555,BMG_DG128745,,c12c(oc(cc1=O)-c3cc(OC)c(c(c3)OC)OC)c(OC)c(c(c2O)OC)OC,,MQBFFYQCZCKSBX-UHFFFAOYSA-N
BMGC_DG06556,BMG_DG128761,CCC(=O)N(C1=CC=CC=N1)C(C)CN2CCCCC2,N(c1ccccn1)(C(CN2CCCCC2)C)C(CC)=O,"InChI=1S/C16H25N3O/c1-3-16(20)19(15-9-5-6-10-17-15)14(2)13-18-11-7-4-8-12-18/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3",ZBAFFZBKCMWUHM-UHFFFAOYSA-N
BMGC_DG06557,BMG_DG128762,,[V](=O)(=O)[O-],,ALTWGIIQPLQAAM-UHFFFAOYSA-N
BMGC_DG06558,BMG_DG128767,,O=C(c1ccccc1)N2c3ccccc3Sc4ccccc24,,RVBAUHGQSLEOSR-UHFFFAOYSA-N
BMGC_DG06559,BMG_DG128773,CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3OC(=O)C)C(=O)O,c12C(c3c(OC(=O)C)cccc3C(c1cc(cc2OC(=O)C)C(=O)O)=O)=O,"InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)",TYNLGDBUJLVSMA-UHFFFAOYSA-N
BMGC_DG06560,BMG_DG128782,[B-](F)(F)(F)F,[B-](F)(F)(F)F,"InChI=1S/BF4/c2-1(3,4)5/q-1",ODGCEQLVLXJUCC-UHFFFAOYSA-N
BMGC_DG06561,BMG_DG128812,CCCCO,OCCCC,"InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",LRHPLDYGYMQRHN-UHFFFAOYSA-N
BMGC_DG06562,BMG_DG128843,,,,
BMGC_DG06563,BMG_DG128867,CCCCC1=CC2=C(C=C1OCC3=CC=CC=C3)NC=C(C2=O)C(=O)OC,c1(c(c2cc(CCCC)c(cc2[nH]c1)OCc3ccccc3)=O)C(=O)OC,"InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)",NNOPDLNHPOLRRE-UHFFFAOYSA-N
BMGC_DG06564,BMG_DG128870,CS(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)C(=O)N,N1(c2cc(S(=O)(=O)C)ccc2Sc3c1cccc3)CCCN4CCC(C(=O)N)CC4,"InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)",BQDBKDMTIJBJLA-UHFFFAOYSA-N
BMGC_DG06565,BMG_DG128881,CCCC(=O)O,CCCC(=O)O,"InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)",FERIUCNNQQJTOY-UHFFFAOYSA-N
BMGC_DG06566,BMG_DG128896,,c1(c(sc2c1CCN(C)C2)N)C#N,,WVPOJZUKIIRHOQ-UHFFFAOYSA-N
BMGC_DG06567,BMG_DG128920,[O-][Se](=O)(=O)[O-],[Se](=O)(=O)([O-])[O-],"InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)/p-2",QYHFIVBSNOWOCQ-UHFFFAOYSA-L
BMGC_DG06568,BMG_DG128934,,c1(c(CC(=O)O)cccc(c1O)=O)C(=O)O,,GROJNADPOMHDCI-UHFFFAOYSA-N
BMGC_DG06569,BMG_DG128939,C1=CC=C(C(=C1)C=NCCN=CC2=CC=CC=C2O)O,Oc1c(cccc1)/C=N/CC/N=C/c2c(O)cccc2,"InChI=1S/C16H16N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1-8,11-12,19-20H,9-10H2",VEUMANXWQDHAJV-UHFFFAOYSA-N;VEUMANXWQDHAJV-JYFOCSDGSA-N
BMGC_DG06570,BMG_DG128942,CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)CO,O1[C@@]23[C@]([C@@]4([C@]([C@]5([C@@]([C@](CC5)([C@@H]([C@@]6(OC(=O)C(=C(C6)C)CO)[H])C)[H])(CC4)C)[H])(C[C@@]12[H])[H])[H])(C)C(=O)C=C[C@@H]3O,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",DBRXOUCRJQVYJQ-CKNDUULBSA-N
BMGC_DG06571,BMG_DG128951,CCNC1(CCCCC1=O)C2=CC=CS2,C1(c2sccc2)(C(=O)CCCC1)NCC,"InChI=1S/C12H17NOS/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h5,7,9,13H,2-4,6,8H2,1H3",QAXBVGVYDCAVLV-UHFFFAOYSA-N
BMGC_DG06572,BMG_DG128980,,c1(c(oc2c(c1=O)cccc2)-c3ccc(cc3)C)O,,QAHZLNKOVIYDGB-UHFFFAOYSA-N
BMGC_DG06573,BMG_DG128982,,c1(c(c(=O)c2c(o1)cc(cc2)OC)O)-c3cc(OC)c(cc3)OC,,KSAJVJYHNOORPX-UHFFFAOYSA-N
BMGC_DG06574,BMG_DG128998,,C(O)(=O)c1c2c(nc(c1)-c3ccncc3)cccc2,,IBXRRNLSWGROLA-UHFFFAOYSA-N
BMGC_DG06575,BMG_DG129016,,C(CC(CCCCC)O)(=O)O,,NDPLAKGOSZHTPH-UHFFFAOYSA-N
BMGC_DG06576,BMG_DG129018,CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=C(C=C2O)Cl)S(=O)(=O)N,S(c1cc(C(Nc2c(cccc2C)C)=O)c(cc1Cl)O)(=O)(=O)N,"InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)",MTZBBNMLMNBNJL-UHFFFAOYSA-N
BMGC_DG06577,BMG_DG129020,CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F,n1n(c(-c2ccc(cc2)C)cc1C(F)(F)F)-c3ccc(S(=O)(=O)N)cc3,"InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)",RZEKVGVHFLEQIL-UHFFFAOYSA-N
BMGC_DG06578,BMG_DG129026,CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C,c1(c(cc(NC(N(CC)CC)=O)cc1)C(C)=O)OCC(CNC(C)(C)C)O,"InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)",JOATXPAWOHTVSZ-UHFFFAOYSA-N
BMGC_DG06579,BMG_DG129052,,c1(C(Nc2ccc(cc2)Cl)=O)c(c(I)cc(c1)I)OC(=O)C,,ICKMASVVMCGZLR-UHFFFAOYSA-N
BMGC_DG06580,BMG_DG129062,CCCC(C)(C1C[C@@]23C=CC1(C4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)O,,"InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17?,18-,21?,22?,23-,24+,25?/m1/s1",CAHCBJPUTCKATP-HBDRVVKHSA-N
BMGC_DG06581,BMG_DG129085,C[C@H](CC1=CC=CC=C1)N(C)CC#C,c1cc(C[C@H](N(CC#C)C)C)ccc1,"InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1",MEZLKOACVSPNER-GFCCVEGCSA-N
BMGC_DG06582,BMG_DG129091,C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,N1(C(c2ccc(cc2)Cl)c3ccccc3)CCN(CC1)CCOCC(=O)O,"InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)",ZKLPARSLTMPFCP-UHFFFAOYSA-N
BMGC_DG06583,BMG_DG129097,C1CC(CCC1CN)C(=O)OC2=CC=C(C=C2)CCC(=O)O,C([C@@H]1CC[C@H](CC1)CN)(=O)Oc2ccc(CCC(O)=O)cc2,"InChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)",FHRSHSOEWXUORL-HDJSIYSDSA-N;FHRSHSOEWXUORL-UHFFFAOYSA-N
BMGC_DG06584,BMG_DG129100,CCCCCCCCCCCCCCCC[N+](C)(C)C,C(CCCCCCCCCCCCC)CC[N+](C)(C)C,"InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1",RLGQACBPNDBWTB-UHFFFAOYSA-N
BMGC_DG06585,BMG_DG129104,CCCCCCCCCCCCCCCCO,OCCCCCCCCCCCCCCCC,"InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3",BXWNKGSJHAJOGX-UHFFFAOYSA-N
BMGC_DG06586,BMG_DG129108,CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1,[n+]1(CCCCCCCCCCCCCCCC)ccccc1,"InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3/q+1",NEUSVAOJNUQRTM-UHFFFAOYSA-N
BMGC_DG06587,BMG_DG129109,CC1OC2(CN3CCC2CC3)CS1,,"InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3",WUTYZMFRCNBCHQ-UHFFFAOYSA-N
BMGC_DG06588,BMG_DG129110,CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O,,"InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)",RLCKHJSFHOZMDR-UHFFFAOYSA-N
BMGC_DG06589,BMG_DG129113,CN1C=C(N=C1C2=CC=C(C=C2)OCC(CNCCOC3=CC(=C(C=C3)O)C(=O)N)O)C(F)(F)F,c1(cn(c(-c2ccc(OCC(O)CNCCOc3ccc(c(c3)C(N)=O)O)cc2)n1)C)C(F)(F)F,"InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)",GKJZEKSHCJELPL-UHFFFAOYSA-N
BMGC_DG06590,BMG_DG129115,CC(C)(C)NCC(COC1=CC=CC2=C1NC(=O)N2)O,c1c(OCC(CNC(C)(C)C)O)c2c(cc1)[nH]c(=O)[nH]2,"InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)",UMQUQWCJKFOUGV-UHFFFAOYSA-N
BMGC_DG06591,BMG_DG129116,C1CSC2=N[C@H](CN21)C3=CC=CC=C3,C12=N[C@@H](c3ccccc3)CN1CCS2,"InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1",HLFSDGLLUJUHTE-SNVBAGLBSA-N
BMGC_DG06592,BMG_DG129117,,c1(-c2ccccc2)sc(NC(C)=O)cc1,,OSKPBKKQLNRUFG-UHFFFAOYSA-N
BMGC_DG06593,BMG_DG129124,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4,CN1CCN(CC1)c2c3cccn3c4ccc(cc4n2)C(F)(F)F,"InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3",LXFHSCDLMBZYKY-UHFFFAOYSA-N
BMGC_DG06594,BMG_DG129126,,Nc1n2c(c3c(n1)ccc(c3)Cl)nc(n2)-c4ccco4,,MSJODEOZODDVGW-UHFFFAOYSA-N
BMGC_DG06595,BMG_DG129130,CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)O)N)O)O,,"InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)",PAOANWZGLPPROA-UHFFFAOYSA-N
BMGC_DG06596,BMG_DG129139,C[C@H]([C@H](C1=CC=CC=C1)O)N,[C@@H]([C@H](N)C)(c1ccccc1)O,"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m1/s1",DLNKOYKMWOXYQA-VXNVDRBHSA-N
BMGC_DG06597,BMG_DG129141,CC(CN(C)C)C(C)(CC1=CC=C(C=C1)Cl)O,c1(CC(C(CN(C)C)C)(C)O)ccc(Cl)cc1,"InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3",KVHHQGIIZCJATJ-UHFFFAOYSA-N
BMGC_DG06598,BMG_DG129145,CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Fe+2],[Fe+2].c1c2[n-]c(cc3C(C)=C(C=C)c(cc4c(C)c(CCC(O)=O)c(cc5C(CCC(O)=O)=C(C)c1n5)[n-]4)n3)c(C=C)c2C,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2",KABFMIBPWCXCRK-RGGAHWMASA-L;KABFMIBPWCXCRK-UHFFFAOYSA-L
BMGC_DG06599,BMG_DG129155,COC1=CC=C(C=C1)N2CCNCC2,c1c(ccc(c1)N2CCNCC2)OC,"InChI=1S/C11H16N2O/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3",MRDGZSKYFPGAKP-UHFFFAOYSA-N
BMGC_DG06600,BMG_DG129161,C[C@@](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[C@H]3CCCN3C,[C@@](c1ccc(cc1)Cl)(c2ccccc2)(OCC[C@@H]3N(CCC3)C)C,"InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1",YNNUSGIPVFPVBX-NHCUHLMSSA-N
BMGC_DG06601,BMG_DG129184,,c1(C(NNc2ccccc2)=O)ccc(OC)cc1,,FUKLJLAWEQBGGR-UHFFFAOYSA-N
BMGC_DG06602,BMG_DG129188,C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5,c1cc2c(c3[n+](cc4c(c(ccc4c31)OC)OC)C)cc5c(OCO5)c2,"InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1",LLEJIEBFSOEYIV-UHFFFAOYSA-N
BMGC_DG06603,BMG_DG129202,C(C(Cl)(Cl)Cl)(O)O,C(C(O)O)(Cl)(Cl)Cl,"InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H",RNFNDJAIBTYOQL-UHFFFAOYSA-N
BMGC_DG06604,BMG_DG129206,C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl,C(=O)(O)CCCc1ccc(cc1)N(CCCl)CCCl,"InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)",JCKYGMPEJWAADB-UHFFFAOYSA-N
BMGC_DG06605,BMG_DG129214,,C1(=C(C(=O)C(=C(C1=O)O)c2ccc(cc2)CC)O)c3ccc(cc3)CC,,JTTAVDAEVCLLLX-UHFFFAOYSA-N
BMGC_DG06606,BMG_DG129219,[Ca+2],[Ca+2],InChI=1S/Ca/q+2,BHPQYMZQTOCNFJ-UHFFFAOYSA-N
BMGC_DG06607,BMG_DG129220,CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,N1(C(c2ccc(cc2)Cl)c3ccccc3)CCN(CC1)C,"InChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3",WFNAKBGANONZEQ-UHFFFAOYSA-N
BMGC_DG06608,BMG_DG129224,CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O,[N+]1(=C(c2c(ccc(c2)Cl)N=C(C1)NC)c3ccccc3)[O-],"InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3",BUCORZSTKDOEKQ-UHFFFAOYSA-N;ANTSCNMPPGJYLG-UHFFFAOYSA-N
BMGC_DG06609,BMG_DG129225,C[C@]12CC[C@H]3[C@H]([C@@H]1[C@H]([C@H]([C@@H]2O)O)O)CCC4=C3C=CC(=C4)O,[C@]12([C@]([C@]3([C@](c4c(cc(cc4)O)CC3)([H])CC1)[H])([C@H]([C@H]([C@@H]2O)O)O)[H])C,"InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1",AJIPIJNNOJSSQC-NYLIRDPKSA-N
BMGC_DG06610,BMG_DG129250,CN1C(S(=O)(=O)CCC1=O)C2=CC=C(C=C2)Cl,S1(C(N(C)C(CC1)=O)c2ccc(cc2)Cl)(=O)=O,"InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3",WEQAYVWKMWHEJO-UHFFFAOYSA-N
BMGC_DG06611,BMG_DG129257,CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl,c12c(NC(CCCN(CC)CC)C)ccnc1cc(cc2)Cl,"InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)",WHTVZRBIWZFKQO-UHFFFAOYSA-N
BMGC_DG06612,BMG_DG129264,C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2,S1(NC=Nc2c1cc(c(c2)Cl)S(=O)(=O)N)(=O)=O,"InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)",JBMKAUGHUNFTOL-UHFFFAOYSA-N
BMGC_DG06613,BMG_DG129265,CS(=O)(=O)C1=CC=C(C=C1)[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O,S(c1ccc([C@H]([C@H](NC(C(Cl)Cl)=O)CO)O)cc1)(=O)(=O)C,"InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1",OTVAEFIXJLOWRX-NXEZZACHSA-N
BMGC_DG06614,BMG_DG129271,CC1(CCCC2(C1=CC(=O)O2)C)C,CC12CCCC(C)(C)C1=CC(=O)O2,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3",IMKHDCBNRDRUEB-UHFFFAOYSA-N
BMGC_DG06615,BMG_DG129276,C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1,c12c(c(Cl)cc(c1cccn2)Cl)O,"InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",WDFKMLRRRCGAKS-UHFFFAOYSA-N
BMGC_DG06616,BMG_DG129280,CC1=CC(=CC(=C1Cl)C)O,c1(c(cc(cc1C)O)C)Cl,"InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3",OSDLLIBGSJNGJE-UHFFFAOYSA-N
BMGC_DG06617,BMG_DG129284,C1=NC2=C(N1)C(=S)N=C(N2)N,c12nc(N)[nH]c(c1nc[nH]2)=S,"InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",WYWHKKSPHMUBEB-UHFFFAOYSA-N
BMGC_DG06618,BMG_DG129301,,C(N)(=O)CN.Cl,,WKNMKGVLOWGGOU-UHFFFAOYSA-N
BMGC_DG06619,BMG_DG129309,,C(C)(=O)Nc1sc(nn1)S,,DWSMAMSVZRCQMP-UHFFFAOYSA-N
BMGC_DG06620,BMG_DG129311,,c1(=S)cccc[nH]1,,WHMDPDGBKYUEMW-UHFFFAOYSA-N
BMGC_DG06621,BMG_DG129341,C(=S)(N)N,C(=S)(N)N,"InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)",UMGDCJDMYOKAJW-UHFFFAOYSA-N
BMGC_DG06622,BMG_DG129344,,c1([nH]cn[nH]1)=S,,AFBBKYQYNPNMAT-UHFFFAOYSA-N
BMGC_DG06623,BMG_DG129350,,c1cc(Cl)cc2nc(S)sc12,,NKYDKCVZNMNZCM-UHFFFAOYSA-N
BMGC_DG06624,BMG_DG129355,C1(=NNC(=S)S1)N,Nc1sc(nn1)S,"InChI=1S/C2H3N3S2/c3-1-4-5-2(6)7-1/h(H2,3,4)(H,5,6)",GDGIVSREGUOIJZ-UHFFFAOYSA-N
BMGC_DG06625,BMG_DG129362,C1[C@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O,,"InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1",LKDRXBCSQODPBY-VRPWFDPXSA-N
BMGC_DG06626,BMG_DG129371,,N(c1ccc(cc1)OC)N.Cl,,FQHCPFMTXFJZJS-UHFFFAOYSA-N
BMGC_DG06627,BMG_DG129386,,c1(c([nH]ccc1)=S)O,,MARYDOMJDFATPK-UHFFFAOYSA-N
BMGC_DG06628,BMG_DG129454,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Fe+2].[Fe+2].[Fe+3].[Fe+3].[Fe+3].[Fe+3],,InChI=1S/18CN.7Fe/c18*1-2;;;;;;;/q18*-1;3*+2;4*+3,DCYOBGZUOMKFPA-UHFFFAOYSA-N
BMGC_DG06629,BMG_DG129474,[C@@H]([C@@H](C(=O)O)S)(C(=O)O)S,[C@@H]([C@@H](C(=O)O)S)(C(=O)O)S,"InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)/t1-,2+",ACTRVOBWPAIOHC-XIXRPRMCSA-N
BMGC_DG06630,BMG_DG129485,C[C@@H]1CCC[C@H](C=CC(=O)O[C@]23[C@@H](C=CC1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)CC4=CC=CC=C4)C)O)O,,"InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1",GBOGMAARMMDZGR-BKRFDJOMSA-N
BMGC_DG06631,BMG_DG129486,C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O,[C@]12([C@@]([C@@H](C3=CC(=O)OC3)CC1)([C@H](O)C[C@@]4([C@]5(CC[C@@H](C[C@]5(CC[C@]42[H])[H])O[C@@]6(O[C@H](C)[C@H]([C@H](C6)O)O[C@@]7(O[C@H](C)[C@H]([C@H](C7)O)O[C@@]8(O[C@H](C)[C@H]([C@H](C8)O)O)[H])[H])[H])C)[H])C)O,"InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1",LTMHDMANZUZIPE-PUGKRICDSA-N
BMGC_DG06632,BMG_DG129487,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=S)N,n1(c2c(c(=S)[nH]c(n2)N)nc1)[C@H]3[C@@H]([C@H](O)[C@H](O3)CO)O,"InChI=1S/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)/t3-,5-,6-,9-/m1/s1",OTDJAMXESTUWLO-UUOKFMHZSA-N
BMGC_DG06633,BMG_DG129495,,C1(N(C(=O)CC)c2ccccc2)(C(=O)OC)CCNCC1,,HFNFODVRYCEIQL-UHFFFAOYSA-N
BMGC_DG06634,BMG_DG129497,,C(=O)(C1CCNCC1)c2ccc(cc2)F,,ABERUOJGWHYBJL-UHFFFAOYSA-N
BMGC_DG06635,BMG_DG129531,,C(OC(NCCC(O)=O)=O)C1c2c(-c3c1cccc3)cccc2,,LINBWYYLPWJQHE-UHFFFAOYSA-N
BMGC_DG06636,BMG_DG129569,,[C@@H]([C@H](N)c1ccccc1)(N)c2ccccc2,,PONXTPCRRASWKW-ZIAGYGMSSA-N
BMGC_DG06637,BMG_DG129570,CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2,C(CCN(C)C)(c1ccc(cc1)Cl)c2ncccc2,"InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3",SOYKEARSMXGVTM-UHFFFAOYSA-N
BMGC_DG06638,BMG_DG129578,,CC(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,,KGBTVIQRHXYTRQ-UHFFFAOYSA-N
BMGC_DG06639,BMG_DG129580,CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl,N1(c2c(ccc(c2)Cl)Sc3c1cccc3)CCCN(C)C,"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3",ZPEIMTDSQAKGNT-UHFFFAOYSA-N
BMGC_DG06640,BMG_DG129581,,Cc1nc(N)nc2c1CSCC2,,ONZWAEXRMZGFAN-UHFFFAOYSA-N
BMGC_DG06641,BMG_DG129583,CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl,S(NC(=O)NCCC)(c1ccc(cc1)Cl)(=O)=O,"InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)",RKWGIWYCVPQPMF-UHFFFAOYSA-N
BMGC_DG06642,BMG_DG129599,CC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC3=CC=CC=C3,N12[C@@](SC([C@@H]1C(=O)O)(C)C)([H])[C@@H](C2=O)NC(C(Oc3ccccc3)C)=O,"InChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)/t9?,11-,12+,15-/m1/s1",NONJJLVGHLVQQM-JHXYUMNGSA-N
BMGC_DG06643,BMG_DG129608,CN1C(=O)C2=CC=CC=C2S1(=O)=O,c12c(S(=O)(=O)N(C1=O)C)cccc2,"InChI=1S/C8H7NO3S/c1-9-8(10)6-4-2-3-5-7(6)13(9,11)12/h2-5H,1H3",DDIIAJRLFATEEE-UHFFFAOYSA-N
BMGC_DG06644,BMG_DG129620,C(CCN)CCN,NCCCCCN,InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2,VHRGRCVQAFMJIZ-UHFFFAOYSA-N
BMGC_DG06645,BMG_DG129627,,,,
BMGC_DG06646,BMG_DG129629,C(O)(P(=O)(O)O)P(=O)(O)O,C(P(=O)(O)O)(P(=O)(O)O)O,"InChI=1S/CH6O7P2/c2-1(9(3,4)5)10(6,7)8/h1-2H,(H2,3,4,5)(H2,6,7,8)",HJZKOAYDRQLPME-UHFFFAOYSA-N
BMGC_DG06647,BMG_DG129641,C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O,C1(NC(=O)c2c1cccc2)(c3cc(S(=O)(=O)N)c(cc3)Cl)O,"InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)",JIVPVXMEBJLZRO-UHFFFAOYSA-N
BMGC_DG06648,BMG_DG129645,,O=C1Nc2ccc(OC(F)(F)F)cc2C1=O,,XHAJMVPMNOBILF-UHFFFAOYSA-N
BMGC_DG06649,BMG_DG129648,C1=CC2=C(C=C1Cl)NC(=O)O2,c1([nH]c2cc(Cl)ccc2o1)=O,"InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)",TZFWDZFKRBELIQ-UHFFFAOYSA-N
BMGC_DG06650,BMG_DG129650,,s1n(c(n(c1=O)Cc2ccc(cc2)F)=O)-c3ccc(cc3)C,,QUIIIYITNGOFEI-UHFFFAOYSA-N
BMGC_DG06651,BMG_DG129680,,N1(CCCc2c(C1)cc(c(c2)O)O)C(NCCc3ccc(cc3)Cl)=S,,DRCMAZOSEIMCHM-UHFFFAOYSA-N
BMGC_DG06652,BMG_DG129684,C1=CC=C2C(=C1)C3=CC=CC=C3[I+]2.[Cl-],c1c2c(ccc1)-c3c(cccc3)[I+]2.[Cl-],InChI=1S/C12H8I.ClH/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h1-8H;1H/q+1;/p-1,FCFZKAVCDNTYID-UHFFFAOYSA-M
BMGC_DG06653,BMG_DG129686,CC(=NCCCC[C@@H](C(=O)O)N)N,C([C@@H](C(O)=O)N)CCCNC(C)=N,"InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1",ONYFNWIHJBLQKE-ZETCQYMHSA-N
BMGC_DG06654,BMG_DG129689,C(C[C@@H](C(=O)O)N)CNC(=S)N,,"InChI=1S/C6H13N3O2S/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",BKGWACHYAMTLAF-BYPYZUCNSA-N
BMGC_DG06655,BMG_DG129692,CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,C(CC(=O)O)(CC(=O)O)(C(=O)O)O.C(=C(\c1ccccc1)/CC)(\c2ccc(cc2)OCCN(C)C)/c3ccccc3,"InChI=1S/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;",FQZYTYWMLGAPFJ-OQKDUQJOSA-N
BMGC_DG06656,BMG_DG129693,CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3,C(=C(\c1ccccc1)/CC)(\c2ccc(cc2)OCCN(C)C)/c3ccccc3,"InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-",NKANXQFJJICGDU-QPLCGJKRSA-N
BMGC_DG06657,BMG_DG129717,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,[C@]12([C@]([C@]3([C@]([C@@]4([C@](C[C@H](O)CC4)([H])CC3)C)([H])C[C@@H]1O)[H])(CC[C@@]2([C@@H](CCC(=O)NCCS(O)(=O)=O)C)[H])[H])C,"InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1",AWDRATDZQPNJFN-VAYUFCLWSA-N
BMGC_DG06658,BMG_DG129718,CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,,"InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",YUDPTGPSBJVHCN-YMILTQATSA-N
BMGC_DG06659,BMG_DG129726,,NC[C@H](O)CC(=O)O,,YQGDEPYYFWUPGO-GSVOUGTGSA-N
BMGC_DG06660,BMG_DG129753,,,,
BMGC_DG06661,BMG_DG129759,CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)C,C1(=C(C(=O)C(=C(C1=O)C)C)C)CC[C@](O)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C,"InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1",LTVDFSLWFKLJDQ-IEOSBIPESA-N
BMGC_DG06662,BMG_DG129796,,[n+]1(cn(cc1)CCCCCCCCCCCCCCCC)C,,DCLKMMFVIGOXQN-UHFFFAOYSA-N
BMGC_DG06663,BMG_DG129811,,c1ccc(cc1)-c2cccc(c2)B(O)O,,GOXICVKOZJFRMB-UHFFFAOYSA-N
BMGC_DG06664,BMG_DG129813,B(C1=CC=C(C=C1)C#N)(O)O,,"InChI=1S/C7H6BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H",CEBAHYWORUOILU-UHFFFAOYSA-N
BMGC_DG06665,BMG_DG129814,,c1c(cc(cc1F)F)B(O)O,,QWQBQRYFWNIDOC-UHFFFAOYSA-N
BMGC_DG06666,BMG_DG129817,,c1cc(ccc1B(O)O)O,,COIQUVGFTILYGA-UHFFFAOYSA-N
BMGC_DG06667,BMG_DG129819,,COc1cccc(B(O)O)c1,,NLLGFYPSWCMUIV-UHFFFAOYSA-N
BMGC_DG06668,BMG_DG129820,,OB(O)c1ccc2ccccc2c1,,KPTRDYONBVUWPD-UHFFFAOYSA-N
BMGC_DG06669,BMG_DG129843,,O1C(CC(=O)c2c1ccc(O)c2)c3ccccc3,,XYHWPQUEOOBIOW-UHFFFAOYSA-N
BMGC_DG06670,BMG_DG129860,,n1(nccc1)C(=N)N,,UCQFSGCWHRTMGG-UHFFFAOYSA-N
BMGC_DG06671,BMG_DG129872,,O=C1Nc2c(Cl)ccc(Cl)c2C1=O,,NUXYYWOWNFEMNH-UHFFFAOYSA-N
BMGC_DG06672,BMG_DG129896,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3C([C@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4([C@@H](C5C6([C@](C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)[C@@H](C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31?,34-,35?,36?,37+,41+,52?,53-,56?,57-,59?,60?,61+,62?;;/m0../s1",FDJOLVPMNUYSCM-RKLHWWGLSA-L
BMGC_DG06673,BMG_DG129897,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-].[Br-],[C@]12(CC[C@]3([C@]([C@@]2(C[C@H]([N+]4(C)CCCCC4)[C@@H]1OC(=O)C)[H])(CC[C@@]5([C@@]3(C[C@H]([N+]6(C)CCCCC6)[C@H](C5)OC(=O)C)C)[H])[H])[H])C.[Br-].[Br-],"InChI=1S/C35H60N2O4.2BrH/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36;;/h26-33H,7-23H2,1-6H3;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1",NPIJXCQZLFKBMV-YTGGZNJNSA-L
BMGC_DG06674,BMG_DG129901,CCOC(=S)[S-].[K+],[K+].O(C(=S)[S-])CC,"InChI=1S/C3H6OS2.K/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1",JCBJVAJGLKENNC-UHFFFAOYSA-M
BMGC_DG06675,BMG_DG129925,CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=C2)N,c1c(ccc(n1)Oc2ccc(cc2)C(C)(C)C)N,"InChI=1S/C15H18N2O/c1-15(2,3)11-4-7-13(8-5-11)18-14-9-6-12(16)10-17-14/h4-10H,16H2,1-3H3",WHIWGRCYMQLLAO-UHFFFAOYSA-N
BMGC_DG06676,BMG_DG129927,C1=NC(=C2C(=N1)N(C(=N2)N=[N+]=[N-])[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,,"InChI=1S/C10H15N8O13P3/c11-7-4-8(14-2-13-7)18(10(15-4)16-17-12)9-6(20)5(19)3(29-9)1-28-33(24,25)31-34(26,27)30-32(21,22)23/h2-3,5-6,9,19-20H,1H2,(H,24,25)(H,26,27)(H2,11,13,14)(H2,21,22,23)/t3-,5-,6-,9-/m1/s1",PQISXOFEOCLOCT-UUOKFMHZSA-N
BMGC_DG06677,BMG_DG129952,,c1cc(cc(c1)C(=O)CBr)C#N,,XWCGNFLHRINYCE-UHFFFAOYSA-N
BMGC_DG06678,BMG_DG129988,,CCN(CCOC(C(c1ccccc1)CC)=O)CC,,CKWHSYRZDLWQFV-UHFFFAOYSA-N
BMGC_DG06679,BMG_DG129997,,[N+](c1ccc(-c2n[nH]cc2)cc1)([O-])=O,,IPIYADCDDIUVPS-UHFFFAOYSA-N
BMGC_DG06680,BMG_DG130007,,C1CNCCN1c2ccccc2-c3ccccc3,,RKRVRTJVCWZOQS-UHFFFAOYSA-N
BMGC_DG06681,BMG_DG130019,,OC(=O)c1cnc([nH]1)-c2ccccc2,,XCAXKZJNJCKTQH-UHFFFAOYSA-N
BMGC_DG06682,BMG_DG130023,CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1,C1(c2c(CCc3c1cccc3)scc2)=C4CCN(C)CC4,"InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3",FIADGNVRKBPQEU-UHFFFAOYSA-N
BMGC_DG06683,BMG_DG130025,,,,
BMGC_DG06684,BMG_DG130026,,c1(c(cc(c(c1)OC)CC)OC)CC(N)C,,HXJKWPGVENNMCC-UHFFFAOYSA-N
BMGC_DG06685,BMG_DG130030,,c12c(c(cc(o1)C(O)=O)=O)cccc2,,RVMGXWBCQGAWBR-UHFFFAOYSA-N
BMGC_DG06686,BMG_DG130031,,O=C(N1CCCC1)C23CC4CC(CC(C4)C2)C3,,RVXVNLMWQYKNHL-UHFFFAOYSA-N
BMGC_DG06687,BMG_DG130035,,,,
BMGC_DG06688,BMG_DG130048,CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)C)[H])NC([C@@H](c3ccccc3)N)=O,"InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1",ZAIPMKNFIOOWCQ-UEKVPHQBSA-N
BMGC_DG06689,BMG_DG130055,CCC(CC)(CNC(=O)CCCO)C1=CC(=CC=C1)OC,C(c1cc(OC)ccc1)(CNC(=O)CCCO)(CC)CC,"InChI=1S/C17H27NO3/c1-4-17(5-2,13-18-16(20)10-7-11-19)14-8-6-9-15(12-14)21-3/h6,8-9,12,19H,4-5,7,10-11,13H2,1-3H3,(H,18,20)",LMBMDLOSPKIWAP-UHFFFAOYSA-N
BMGC_DG06690,BMG_DG130061,CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N,C(Nc1c(N)cccc1)(c2ccc(NC(=O)C)cc2)=O,"InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)",VAZAPHZUAVEOMC-UHFFFAOYSA-N
BMGC_DG06691,BMG_DG130066,C1CN=C(N1)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4,C1(C(C2=NCCN2)C1)(c3ccccc3)c4ccccc4,"InChI=1S/C18H18N2/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17/h1-10,16H,11-13H2,(H,19,20)",IPOBOOXFSRWSHL-UHFFFAOYSA-N
BMGC_DG06692,BMG_DG130078,CC1=CC(=O)N(C(=C1)C2CCCCC2)O,c1(cc(cc(n1O)=O)C)C2CCCCC2,"InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3",SCKYRAXSEDYPSA-UHFFFAOYSA-N
BMGC_DG06693,BMG_DG130086,CC1(CCCCC1)COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3,N1C(SC(C1=O)Cc2ccc(OCC3(C)CCCCC3)cc2)=O,"InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,20,21)",YZFWTZACSRHJQD-UHFFFAOYSA-N
BMGC_DG06694,BMG_DG130088,CCN(CC)CCN1C(=NOC1=N)C2=CC=CC=C2,n1(c(noc1=N)-c2ccccc2)CCN(CC)CC,"InChI=1S/C14H20N4O/c1-3-17(4-2)10-11-18-13(16-19-14(18)15)12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3",MGSPDRWOUCPKNZ-UHFFFAOYSA-N
BMGC_DG06695,BMG_DG130101,CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC,O(C)c1c2c3c(cc1OC)CCN(C)[C@@]3(Cc4cc(Oc5ccc(C[C@]6(c7cc(O2)c(OC)cc7CCN6C)[H])cc5)c(O)cc4)[H],"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1",DFOCUWZXJBAUSQ-URLMMPGGSA-N
BMGC_DG06696,BMG_DG130103,CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3,c12C(O[C@@](c1ccc(c2OC)OC)([C@]3(c4c(c5OCOc5cc4CCN3C)OC)[H])[H])=O,"InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1",AKNNEGZIBPJZJG-MSOLQXFVSA-N
BMGC_DG06697,BMG_DG130116,CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)NC(=O)C=C3,c1c(OCCCC(N(C2CCCCC2)C)=O)cc3ccc(=O)[nH]c3c1,"InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)",UIAYVIIHMORPSJ-UHFFFAOYSA-N
BMGC_DG06698,BMG_DG130119,C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4,n1(nnnc1CCCCOc2cc3CCC(Nc3cc2)=O)C4CCCCC4,"InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)",RRGUKTPIGVIEKM-UHFFFAOYSA-N
BMGC_DG06699,BMG_DG130127,CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O,c1(cc(C(O)CNC(C)C)ccc1N)C#N,"InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3",BUXRLJCGHZZYNE-UHFFFAOYSA-N
BMGC_DG06700,BMG_DG130134,,c1(ccc(cc1)S(N)(=O)=O)NCc2ccccc2,,HLIBJQGJVDHCNB-UHFFFAOYSA-N
BMGC_DG06701,BMG_DG130136,,C1CNCCc2c1c3ccccc3n2C,,ZBXDOQWPGBISAR-UHFFFAOYSA-N
BMGC_DG06702,BMG_DG130139,CC1=C(N=CN1)CSCCNC(=NC)NC#N,N(C#N)=C(NC)NCCSCc1nc[nH]c1C,"InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)",AQIXAKUUQRKLND-UHFFFAOYSA-N
BMGC_DG06703,BMG_DG130169,,NC(Nc1ccc(cc1)Cl)=N,,ZSJNJAJDBNFVCA-UHFFFAOYSA-N
BMGC_DG06704,BMG_DG130173,CC1(C2CCC(O1)(CC2)C)C,O1C([C@H]2CCC1(CC2)C)(C)C,"InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3",WEEGYLXZBRQIMU-LUYSIGKXSA-N;WEEGYLXZBRQIMU-UHFFFAOYSA-N
BMGC_DG06705,BMG_DG130211,C1CN(CCN1)C2=NC=NC3=C2SC=C3,c1nc(N2CCNCC2)c3sccc3n1,"InChI=1S/C10H12N4S/c1-6-15-9-8(1)12-7-13-10(9)14-4-2-11-3-5-14/h1,6-7,11H,2-5H2",GVNSLBIXJYZCCB-UHFFFAOYSA-N
BMGC_DG06706,BMG_DG130216,C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4,,"InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2",DERZBLKQOCDDDZ-UHFFFAOYSA-N
BMGC_DG06707,BMG_DG130218,CCC1=NC=CC(=C1)C(=S)N,C(c1cc(CC)ncc1)(=S)N,"InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)",AEOCXXJPGCBFJA-UHFFFAOYSA-N
BMGC_DG06708,BMG_DG130223,,Cc1cccc(C[C@H](N)C(O)=O)c1,,JZRBSTONIYRNRI-VIFPVBQESA-N
BMGC_DG06709,BMG_DG130233,,,,
BMGC_DG06710,BMG_DG130234,CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3,c1(nn(CC)c2c(c1=O)cc3c(OCO3)c2)C(=O)O,"InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)",VDUWPHTZYNWKRN-UHFFFAOYSA-N
BMGC_DG06711,BMG_DG130260,,C(CN(C)C)c1c2c([nH]c1)ccc(F)c2,,BXYDWQABVPBLBU-UHFFFAOYSA-N
BMGC_DG06712,BMG_DG130269,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl,C1(C(c2ccc(OC(C(=O)O)(C)C)cc2)C1)(Cl)Cl,"InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)",KPSRODZRAIWAKH-UHFFFAOYSA-N
BMGC_DG06713,BMG_DG130272,,c1ccc(c(c1)-c2c3ccc(c(c3oc-4c(c(=O)ccc24)[As]5SCCS5)[As]6SCCS6)O)C(=O)O,,KCPRYVGBEBFLIG-UHFFFAOYSA-N
BMGC_DG06714,BMG_DG130284,,S=c1cnc2ccccc2[nH]1,,INQXGZFDGDSRIF-UHFFFAOYSA-N
BMGC_DG06715,BMG_DG130286,,,,
BMGC_DG06716,BMG_DG130288,,c1ccc(-c2ncc(-c3cc[nH]n3)s2)cc1,,NRAHRUHGPGBWSI-UHFFFAOYSA-N
BMGC_DG06717,BMG_DG130290,,O=C(O)Cc1sc(-c2ccccc2)nc1-c3ccccc3,,WNGOHXAHAKLKAR-UHFFFAOYSA-N
BMGC_DG06718,BMG_DG130291,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O,c1(c(c2cc(F)c(cc2n(c1)C3CC3)N4CCNCC4)=O)C(=O)O,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)",MYSWGUAQZAJSOK-UHFFFAOYSA-N
BMGC_DG06719,BMG_DG130296,CC(CN(C1=C(C=C(C(=C1I)N)I)I)C(=O)C)C(=O)O,c1(N(CC(C(=O)O)C)C(=O)C)c(c(N)c(cc1I)I)I,"InChI=1S/C12H13I3N2O3/c1-5(12(19)20)4-17(6(2)18)11-8(14)3-7(13)10(16)9(11)15/h3,5H,4,16H2,1-2H3,(H,19,20)",GSVQIUGOUKJHRC-UHFFFAOYSA-N
BMGC_DG06720,BMG_DG130297,C1CC1C2=CC=CC=C2OCC3=NCCN3,C1CNC(COc2ccccc2C3CC3)=N1,"InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)",YAORIDZYZDUZCM-UHFFFAOYSA-N
BMGC_DG06721,BMG_DG130300,,Nc1nccc(-c2ccc3noc(-c4ccc(Cl)cc4)c3c2)n1,,AQVFETGXIRKVAQ-UHFFFAOYSA-N
BMGC_DG06722,BMG_DG130302,,C(Cl)(C(=O)O)CC(=O)O,,QEGKXSHUKXMDRW-UHFFFAOYSA-N
BMGC_DG06723,BMG_DG130306,C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O,[N+](O[C@H]1[C@@]2([C@]([C@@H](O)CO2)([H])OC1)[H])([O-])=O,"InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1",YWXYYJSYQOXTPL-SLPGGIOYSA-N
BMGC_DG06724,BMG_DG130308,C1CCN(CC1)CCCOC2=CC=C(C=C2)CN3CCCCC3,N1(CCCCC1)CCCOc2ccc(cc2)CN3CCCCC3,"InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2",PTKHFRNHJULJKT-UHFFFAOYSA-N
BMGC_DG06725,BMG_DG130314,[NH2-].[NH2-].Cl[Pt+2]Cl,,InChI=1S/2ClH.2H2N.Pt/h2*1H;2*1H2;/q;;2*-1;+4/p-2,DQLATGHUWYMOKM-UHFFFAOYSA-L
BMGC_DG06726,BMG_DG130316,,O=S(=O)(N)N1CCCCC1,,FLKRMXAWABTWSH-UHFFFAOYSA-N
BMGC_DG06727,BMG_DG130324,COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F,,"InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)",DCSUBABJRXZOMT-UHFFFAOYSA-N
BMGC_DG06728,BMG_DG130326,,c1cc-2c(cc1)C(c3c2nnc(c3)-c4ccccc4C)=O,,KKPUXQRFWHNBLA-UHFFFAOYSA-N
BMGC_DG06729,BMG_DG130327,CN1CCC2=CC(=C(C=C2C1)OC)OC,COc1cc2c(cc1OC)CN(C)CC2,"InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3",TXPPKWZEHFNZOE-UHFFFAOYSA-N
BMGC_DG06730,BMG_DG130330,,C12(CCC(CC1)(CC2)c3ccccc3)N,,JXMVQBDHMBOHDH-UHFFFAOYSA-N
BMGC_DG06731,BMG_DG130333,C(=O)(N)O,C(=O)(O)N,"InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)",KXDHJXZQYSOELW-UHFFFAOYSA-N
BMGC_DG06732,BMG_DG130339,CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,C1(c2c(cc(C#N)cc2)CO1)(c3ccc(cc3)F)CCCN(C)C,"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3",WSEQXVZVJXJVFP-UHFFFAOYSA-N
BMGC_DG06733,BMG_DG130400,CC#CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br,C(C#CC)(=O)Nc1cc2c(ncnc2cc1)Nc3cc(ccc3)Br,"InChI=1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3,5-11H,1H3,(H,22,24)(H,20,21,23)",BTYYWOYVBXILOJ-UHFFFAOYSA-N
BMGC_DG06734,BMG_DG130410,,NCc1ccc(cc1)-c2cccs2,,YKNLMMDEWQZCLJ-UHFFFAOYSA-N
BMGC_DG06735,BMG_DG130413,,,,
BMGC_DG06736,BMG_DG130421,C1COCCN1CCCCNC(=O)C2=CC3=CC=CC=C3O2,,"InChI=1S/C17H22N2O3/c20-17(16-13-14-5-1-2-6-15(14)22-16)18-7-3-4-8-19-9-11-21-12-10-19/h1-2,5-6,13H,3-4,7-12H2,(H,18,20)",KUJQEQAVMNFFAO-UHFFFAOYSA-N
BMGC_DG06737,BMG_DG130430,,c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc2)Cl,,FRPJSHKMZHWJBE-UHFFFAOYSA-N
BMGC_DG06738,BMG_DG130435,CNC1=NC(=NC(=N1)N(C)C)N(C)C,c1(nc(nc(n1)NC)N(C)C)N(C)C,"InChI=1S/C8H16N6/c1-9-6-10-7(13(2)3)12-8(11-6)14(4)5/h1-5H3,(H,9,10,11,12)",XIFVTSIIYVGRHJ-UHFFFAOYSA-N
BMGC_DG06739,BMG_DG130438,,c1cc2C(C(=C(C(c2cc1)=O)O)CC=C(Cl)Cl)=O,,LKEVYYRGUCTKBS-UHFFFAOYSA-N
BMGC_DG06740,BMG_DG130476,,O=C1Nc2c(C(=O)O)cccc2C1=O,,ROODQCZSWXEDJL-UHFFFAOYSA-N
BMGC_DG06741,BMG_DG130479,,N1(C(C(=O)c2c1cccc2)=O)Cc3ccc(cc3)Cl,,VEBLIIOSJXGVAW-UHFFFAOYSA-N
BMGC_DG06742,BMG_DG130481,C(=O)(N)OP(=O)(O)O,P(OC(=O)N)(=O)(O)O,"InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)",FFQKYPRQEYGKAF-UHFFFAOYSA-N
BMGC_DG06743,BMG_DG130482,COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl)N,c1(C(NC2CCN(CC2)Cc3ccccc3)=O)c(OC)cc(N)c(Cl)c1,"InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)",BVPWJMCABCPUQY-UHFFFAOYSA-N
BMGC_DG06744,BMG_DG130483,CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC(=C(C=C42)OC)OC,,"InChI=1S/C20H21NO3/c1-11-8-14-13-9-16(22-4)17(23-5)10-15(13)21-18(14)12-6-7-20(2,3)24-19(11)12/h6-10,21H,1-5H3",IUZVYLWUISSZCS-UHFFFAOYSA-N
BMGC_DG06745,BMG_DG130492,CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#C)O,C1=2[C@]([C@]3([C@]([C@](O)(C#C)CC3)(CC)C=C1)[H])(CCC=4C2CCC(C4)=O)[H],"InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1",BJJXHLWLUDYTGC-ANULTFPQSA-N
BMGC_DG06746,BMG_DG130497,,c12c(c(ccc1Sc3ccccc3)[N+](=O)[O-])non2,,OSZUOJOLBOOODG-UHFFFAOYSA-N
BMGC_DG06747,BMG_DG130500,C1=CC2=C(C=C1Cl)ONC2=O,,"InChI=1S/C7H4ClNO2/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)",SJAPSPJRTQCDNO-UHFFFAOYSA-N
BMGC_DG06748,BMG_DG130501,C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl,c1(n(c2ccccc2n1)Cc3ccc(cc3)Cl)CN4CCCC4,"InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2",CJXAEXPPLWQRFR-UHFFFAOYSA-N
BMGC_DG06749,BMG_DG130518,,O=C(O)c1ccc(-c2ccc(F)cc2)cc1,,LXWNTLBMNCXRQN-UHFFFAOYSA-N
BMGC_DG06750,BMG_DG130524,CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O,c1(c(cc(cc1Cl)C(CNC(C)(C)C)O)Cl)N,"InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3",STJMRWALKKWQGH-UHFFFAOYSA-N
BMGC_DG06751,BMG_DG130525,,c1cc(cc(c1)F)COc2ccc(cc2)C(=O)O,,GSTZODCOPHCYCV-UHFFFAOYSA-N
BMGC_DG06752,BMG_DG130532,,OB(O)c1ccc(F)nc1,,OJBYZWHAPXIJID-UHFFFAOYSA-N
BMGC_DG06753,BMG_DG130537,C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O,C(C(c1ccccc1)(c2ccccc2)O)(OC3C[N+]4(C)CCC3CC4)=O,"InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1",HOOSGZJRQIVJSZ-UHFFFAOYSA-N
BMGC_DG06754,BMG_DG130553,[Mn+2],[Mn+2],InChI=1S/Mn/q+2,WAEMQWOKJMHJLA-UHFFFAOYSA-N
BMGC_DG06755,BMG_DG130559,,n1(c(c(c2cc(ccc12)OC)CC(=O)OCC)C)C(=O)c3ccc(cc3)Cl,,COIRSVPTDJIIKY-UHFFFAOYSA-N
BMGC_DG06756,BMG_DG130565,,C(CC)(Oc1ccc(C2(c3ccc(OC(CC)(C)C(O)=O)cc3)CCCCC2)cc1)(C)C(O)=O,,BMOVQUBVGICXQN-UHFFFAOYSA-N
BMGC_DG06757,BMG_DG130577,C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1,c12c(c(I)cc(c1cccn2)Cl)O,"InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",QCDFBFJGMNKBDO-UHFFFAOYSA-N
BMGC_DG06758,BMG_DG130601,CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,N1(C(CC(=O)N(c2c1cc(cc2)Cl)C)=O)c3ccccc3,"InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3",CXOXHMZGEKVPMT-UHFFFAOYSA-N
BMGC_DG06759,BMG_DG130607,C1=CC(=CC=C1CN=C(N)SCCCC2=CN=CN2)Cl,[nH]1c(CCCSC(NCc2ccc(cc2)Cl)=N)cnc1,"InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)",UCAIEVHKDLMIFL-UHFFFAOYSA-N
BMGC_DG06760,BMG_DG130609,CN1CCC(CC1)N(CC2=CC=CS2)C3=CC=CC=C3,N(C1CCN(CC1)C)(Cc2sccc2)c3ccccc3,"InChI=1S/C17H22N2S/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3",KLOHYVOVXOUKQI-UHFFFAOYSA-N
BMGC_DG06761,BMG_DG130618,CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)C)O)C,[C@@]12([C@]([C@]3([C@]([C@]4([C@](C(=O)C(=C4)C)(O)CC(=C3)CO)[H])(O)[C@@H]([C@H]1OC(CCCCCCCCCCCCC)=O)C)[H])(C2(C)C)[H])OC(C)=O,"InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1",PHEDXBVPIONUQT-RGYGYFBISA-N
BMGC_DG06762,BMG_DG130621,,C1CC(CCN1CCCN2c3ccccc3CCc4ccc(Cl)cc42)(C(=O)N)N5CCCCC5,,QAZKXHSIKKNOHH-UHFFFAOYSA-N
BMGC_DG06763,BMG_DG130624,,c1ccc2c(CCc3ccncc3)c[nH]c2c1,,UUEYCHLWAOBOHG-UHFFFAOYSA-N
BMGC_DG06764,BMG_DG130630,CC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl,CC(C)/N=c/1\cc2-c(cc1Nc3ccc(cc3)Cl)nc4ccccc4n2-c5ccc(cc5)Cl,"InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3",WDQPAMHFFCXSNU-BGABXYSRSA-N;WDQPAMHFFCXSNU-UHFFFAOYSA-N
BMGC_DG06765,BMG_DG130634,,n1cn(c2nc(nc(c12)Nc3cc(ccc3)Cl)N[C@H]4[C@H](CCCC4)N)CC,,UTBSBSOBZHXMHI-LSDHHAIUSA-N
BMGC_DG06766,BMG_DG130644,,c1cnc(c2ccoc12)N3CCNCC3,,LUIZVTKJWSGSPA-UHFFFAOYSA-N
BMGC_DG06767,BMG_DG130648,CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O,C(c1c(Cl)cccc1)(CCN(C)C)(c2ccccc2)O,"InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3",WRCHFMBCVFFYEQ-UHFFFAOYSA-N
BMGC_DG06768,BMG_DG130655,,O=C(O)c1cccc(-c2cc[nH]n2)c1,,RXZRBZWATRFHCS-UHFFFAOYSA-N
BMGC_DG06769,BMG_DG130658,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl,C(C(=O)OCC)(Oc1ccc(cc1)Cl)(C)C,"InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3",KNHUKKLJHYUCFP-UHFFFAOYSA-N
BMGC_DG06770,BMG_DG130667,CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl,C(C(=O)O)(Oc1ccc(cc1)Cl)(C)C,"InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)",TXCGAZHTZHNUAI-UHFFFAOYSA-N
BMGC_DG06771,BMG_DG130670,,c1(C(=S)N)nccnc1,,LIURPUMROGYCLW-UHFFFAOYSA-N
BMGC_DG06772,BMG_DG130673,,,,
BMGC_DG06773,BMG_DG130674,,C1CCN(CC1)c2ccc(cc2NC(=O)c3ccncc3)C(F)(F)F,,DWFGGOFPIISJIT-UHFFFAOYSA-N
BMGC_DG06774,BMG_DG130677,CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl,c1(ccc(cc1)Cl)CCCC[N+](CCCCCCC)(CC)CC,"InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1",WPSYTTKBGAZSCX-UHFFFAOYSA-N
BMGC_DG06775,BMG_DG130683,CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)CC2=C(C=C(C=C2)Cl)Cl,c1c(c(ccc1C(CC(C)(C)C)(C)C)O)Cc2c(cc(cc2)Cl)Cl,"InChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3",HQVZOORKDNCGCK-UHFFFAOYSA-N
BMGC_DG06776,BMG_DG130685,C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N,,"InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)",NFLWUMRGJYTJIN-UHFFFAOYSA-N
BMGC_DG06777,BMG_DG130695,,C(=O)(NO)CCCc1ccccc1,,UPHXPXYRKPCXHK-UHFFFAOYSA-N
BMGC_DG06778,BMG_DG130697,C(=O)=O,C(=O)=O,InChI=1S/CO2/c2-1-3,CURLTUGMZLYLDI-UHFFFAOYSA-N
BMGC_DG06779,BMG_DG130698,CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3,,"InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3",GKIRPKYJQBWNGO-UHFFFAOYSA-N
BMGC_DG06780,BMG_DG130702,,O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c2ccc(Cl)cc2,,JFUIMTGOQCQTPF-UHFFFAOYSA-N
BMGC_DG06781,BMG_DG130704,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,N1(c2cc(Cl)ccc2CCc3c1cccc3)CCCN(C)C,"InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3",GDLIGKIOYRNHDA-UHFFFAOYSA-N
BMGC_DG06782,BMG_DG130714,C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl,C=1(c2c(NC(CN1)=O)ccc([N+]([O-])=O)c2)c3c(Cl)cccc3,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)",DGBIGWXXNGSACT-UHFFFAOYSA-N
BMGC_DG06783,BMG_DG130726,C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl,C1(Nc2c(Cl)cccc2Cl)=NCCN1,"InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)",GJSURZIOUXUGAL-UHFFFAOYSA-N
BMGC_DG06784,BMG_DG130734,CC1CCCC(N1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C,,"InChI=1S/C14H20ClN3O3S/c1-9-4-3-5-10(2)18(9)17-14(19)11-6-7-12(15)13(8-11)22(16,20)21/h6-10H,3-5H2,1-2H3,(H,17,19)(H2,16,20,21)",LBXHRAWDUMTPSE-UHFFFAOYSA-N
BMGC_DG06785,BMG_DG130740,C1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,C1CCCN(C1)CCOC(c2ccc(cc2)Cl)c3ccccc3,"InChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2",FLNXBVJLPJNOSI-UHFFFAOYSA-N
BMGC_DG06786,BMG_DG130744,CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-],C(C(CCl)O)n1c([N+]([O-])=O)cnc1C,"InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3",IPWKIXLWTCNBKN-UHFFFAOYSA-N
BMGC_DG06787,BMG_DG130749,,C(Sc1c([N+]([O-])=O)cccc1)c2n(CC=C)c(=S)[nH]n2,,VWFIHGWHMXSTAO-UHFFFAOYSA-N
BMGC_DG06788,BMG_DG130751,,NC(=O)c1sc(-c2ccsc2)cc1N,,BMUACLADCKCNKZ-UHFFFAOYSA-N
BMGC_DG06789,BMG_DG130754,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O,N=1C(C(Nc2c(C1c3ccccc3)cc(cc2)Cl)=O)C(=O)O,"InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)",XDDJGVMJFWAHJX-UHFFFAOYSA-N
BMGC_DG06790,BMG_DG130756,,N1(CCN(CC1)c2nc(ns2)-c3ccccc3)C(=O)Nc4ccccc4,,BHBOSTKQCZEAJM-UHFFFAOYSA-N
BMGC_DG06791,BMG_DG130758,C1=C(C=C(C(=C1I)[O-])I)C[C@@H](C(=O)[O-])[NH3+],,"InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/p-1/t7-/m0/s1",NYPYHUZRZVSYKL-ZETCQYMHSA-M
BMGC_DG06792,BMG_DG130760,,CCCCNC(=O)N1CCN(C(c2ccccc2)c3ccccc3)CC1,,QRGYLEAVFDZUPV-UHFFFAOYSA-N
BMGC_DG06793,BMG_DG130761,[C-]#[O+],[C-]#[O+],InChI=1S/CO/c1-2,UGFAIRIUMAVXCW-UHFFFAOYSA-N
BMGC_DG06794,BMG_DG130762,CC(C)NCC(C1=CC=CC=C1Cl)O,c1(c(Cl)cccc1)C(CNC(C)C)O,"InChI=1S/C11H16ClNO/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12/h3-6,8,11,13-14H,7H2,1-2H3",SSMSBSWKLKKXGG-UHFFFAOYSA-N
BMGC_DG06795,BMG_DG130766,CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3Cl)C,c12c(C(=NCC(N1C)=O)c3c(Cl)cccc3)cc(s2)CC,"InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3",CHBRHODLKOZEPZ-UHFFFAOYSA-N
BMGC_DG06796,BMG_DG130771,,c1(c([nH]ccc1)=O)O,,GGOZGYRTNQBSSA-UHFFFAOYSA-N
BMGC_DG06797,BMG_DG130775,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4,C(n1cncc1)(c2c(Cl)cccc2)(c3ccccc3)c4ccccc4,"InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H",VNFPBHJOKIVQEB-UHFFFAOYSA-N
BMGC_DG06798,BMG_DG130781,,NCC(N)P(=O)(O)O,,CCYLOQJVEOHSGI-UHFFFAOYSA-N
BMGC_DG06799,BMG_DG130819,C1=NC(=C2C(=N1)N(C=N2)CCNCCCCCO)N,C(CCCCNCCn1cnc2c(ncnc12)N)O,"InChI=1S/C12H20N6O/c13-11-10-12(16-8-15-11)18(9-17-10)6-5-14-4-2-1-3-7-19/h8-9,14,19H,1-7H2,(H2,13,15,16)",CVPTTZZCRDVGSU-UHFFFAOYSA-N
BMGC_DG06800,BMG_DG130823,C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl,C12(c3c(NC(CN1CCO2)=O)ccc(c3)Cl)c4c(cccc4)Cl,"InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)",ZIXNZOBDFKSQTC-UHFFFAOYSA-N
BMGC_DG06801,BMG_DG130829,C1(C(O1)(Cl)Cl)Cl,ClC1(OC1Cl)Cl,"InChI=1S/C2HCl3O/c3-1-2(4,5)6-1/h1H",CMMXCVYESRODNH-UHFFFAOYSA-N
BMGC_DG06802,BMG_DG130831,,c12c(nccc1)c(O)ccc2Cl,,CTQMJYWDVABFRZ-UHFFFAOYSA-N
BMGC_DG06803,BMG_DG130833,,N([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C(=O)N,,FKWQEFWENKGUGF-VFUOTHLCSA-N
BMGC_DG06804,BMG_DG130834,,,,
BMGC_DG06805,BMG_DG130838,[F-],[F-],InChI=1S/FH/h1H/p-1,KRHYYFGTRYWZRS-UHFFFAOYSA-M
BMGC_DG06806,BMG_DG130839,,,,
BMGC_DG06807,BMG_DG130858,C[C@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C)O)C,[C@]12(C(=CC(CC1)=O)C[C@@H]([C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)(O)C)[H])[H])C)C,"InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16-,17-,18+,19-,20-,21-/m0/s1",IVFYLRMMHVYGJH-PVPPCFLZSA-N
BMGC_DG06808,BMG_DG130880,,,,
BMGC_DG06809,BMG_DG130894,CCOC(=O)C1C2CCC(N2C)CC1OC(=O)C3=CC=CC=C3,,"InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3",NMPOSNRHZIWLLL-UHFFFAOYSA-N
BMGC_DG06810,BMG_DG130909,CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC,,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3",ZPUCINDJVBIVPJ-UHFFFAOYSA-N
BMGC_DG06811,BMG_DG130914,,C1(N(C(c2c3c(cccc13)cc(c2)[N+](=O)[O-])=O)NCCO)=O,,SURCGQGDUADKBL-UHFFFAOYSA-N
BMGC_DG06812,BMG_DG130915,,C=1(C(C(C(=O)OCC)=C(NC1C)C)c2cc([N+]([O-])=O)ccc2)C(=O)OCC,,ITAOFSSOVNYZCS-UHFFFAOYSA-N
BMGC_DG06813,BMG_DG130916,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O,C(CCCCCCCCCCCCCCCCCCCCCCCCC)(=O)N[C@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)CO[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O1)CO,"InChI=1S/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1",VQFKFAKEUMHBLV-BYSUZVQFSA-N
BMGC_DG06814,BMG_DG130917,CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O,,"InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1",JYIKNQVWKBUSNH-OGZDCFRISA-N
BMGC_DG06815,BMG_DG130942,CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2,P(Sc1ccccc1)(Sc2ccccc2)(OCC)=O,"InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3",AWZOLILCOUMRDG-UHFFFAOYSA-N
BMGC_DG06816,BMG_DG130950,C(=O)[O-],,"InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1",BDAGIHXWWSANSR-UHFFFAOYSA-M
BMGC_DG06817,BMG_DG130990,CCN(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C,c1(=O)n(C)c(=O)c2c(n1C)ncn2CCN(CC)CC,"InChI=1S/C13H21N5O2/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3/h9H,5-8H2,1-4H3",AWKLBIOQCIORSB-UHFFFAOYSA-N
BMGC_DG06818,BMG_DG130991,CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,,"InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)",IAKHMKGGTNLKSZ-UHFFFAOYSA-N
BMGC_DG06819,BMG_DG130993,CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O,S(=O)(=O)(O)c1cc2c(cc1)cccc2.[C@@]([C@@H](CN(C)C)C)(OC(=O)CC)(Cc1ccccc1)c2ccccc2,"InChI=1S/C22H29NO2.C10H8O3S/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h6-15,18H,5,16-17H2,1-4H3;1-7H,(H,11,12,13)/t18-,22+;/m1./s1",VZPXFHVJUUSVLH-MYXGOWFTSA-N
BMGC_DG06820,BMG_DG130998,CCN(CC)C(=S)[S-],,"InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1",LMBWSYZSUOEYSN-UHFFFAOYSA-M
BMGC_DG06821,BMG_DG131022,,CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1,,KPLRLDFXFOARQY-UHFFFAOYSA-N
BMGC_DG06822,BMG_DG131025,,c1(cccc(c1)C(NC23CC4CC(C2)CC(C3)C4)=O)O,,GQDAKYXTUUGGNW-UHFFFAOYSA-N
BMGC_DG06823,BMG_DG131029,C(=O)O,C(=O)O,"InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)",BDAGIHXWWSANSR-UHFFFAOYSA-N
BMGC_DG06824,BMG_DG131038,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NO5,[C@]12(C(=Cc3c(C1)cno3)CC[C@]4([C@@]5(CC[C@]([C@]5(CC[C@]24[H])C)(C#C)O)[H])[H])C,"InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1",POZRVZJJTULAOH-LHZXLZLDSA-N
BMGC_DG06825,BMG_DG131043,CNCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24,C12(c3c(cccc3)C(CC1)c4c2cccc4)CNC,"InChI=1S/C18H19N/c1-19-12-18-11-10-13(14-6-2-4-8-16(14)18)15-7-3-5-9-17(15)18/h2-9,13,19H,10-12H2,1H3",GNRXCIONJWKSEA-UHFFFAOYSA-N
BMGC_DG06826,BMG_DG131057,,Clc1cc(N2CCN(CCc3ccccc3)CC2)ccc1,,NKMGWZZAFWDLFG-UHFFFAOYSA-N
BMGC_DG06827,BMG_DG131074,[Li+],[Li+],InChI=1S/Li/q+1,HBBGRARXTFLTSG-UHFFFAOYSA-N
BMGC_DG06828,BMG_DG131083,COC1=C(C=C2C(=C1)C3=C(C(=C(C4=C3C(=NC=C4)C2=O)OC)OC)OC)OC,COc1cc2c(cc1OC)-c3c(OC)c(OC)c(OC)c4ccnc(c34)C2=O,"InChI=1S/C21H19NO6/c1-24-13-8-11-12(9-14(13)25-2)18(23)17-15-10(6-7-22-17)19(26-3)21(28-5)20(27-4)16(11)15/h6-9H,1-5H3",AZTLZBDEFBJZQG-UHFFFAOYSA-N
BMGC_DG06829,BMG_DG131086,,C1=2N(c3ccccc3-c4c1cccc4)CCN2,,BOXYVDQJGZULRA-UHFFFAOYSA-N
BMGC_DG06830,BMG_DG131087,CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O,[C@@]123[C@@]([C@H](OC([C@@](CC(=O)OC)(O)CCCC(O)(C)C)=O)C(=C1)OC)(c4c(cc5c(c4)OCO5)CCN2CCC3)[H],"InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1",HYFHYPWGAURHIV-JFIAXGOJSA-N
BMGC_DG06831,BMG_DG131094,CC=CCC=CCCC(=O)[C@@H]1[C@@H](O1)C(=O)N,,"InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/t10-,11-/m1/s1",GVEZIHKRYBHEFX-GHMZBOCLSA-N
BMGC_DG06832,BMG_DG131098,,COC(=O)c1ccccc1OC(=O)c2ccccc2,,VFRPYBIGSSNAJS-UHFFFAOYSA-N
BMGC_DG06833,BMG_DG131116,,,,
BMGC_DG06834,BMG_DG131117,,c1(-c2ccccc2)nc(N)sn1,,OYAHSBDYBOBAAQ-UHFFFAOYSA-N
BMGC_DG06835,BMG_DG131120,,OB(O)c1ccc(F)cc1,,LBUNNMJLXWQQBY-UHFFFAOYSA-N
BMGC_DG06836,BMG_DG131129,,C(Cn1c2c(nc1NCCCO)cc(c(c2)C)C)(c3cc(c(c(c3)C(C)(C)C)O)C(C)(C)C)=O,,CYCGGKILBWERDJ-UHFFFAOYSA-N
BMGC_DG06837,BMG_DG131133,,c12c3c4ccc1c5c(ccc(c5)O)cc2ccc3ccc4,,OBBBXCAFTKLFGZ-UHFFFAOYSA-N
BMGC_DG06838,BMG_DG131135,C(C(=O)O)ON,C(CON)(=O)O,"InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)",NQRKYASMKDDGHT-UHFFFAOYSA-N
BMGC_DG06839,BMG_DG131138,,c1(C(NC(Cc2ccccc2)C)C#N)ccccc1,,NFHVTCJKAHYEQN-UHFFFAOYSA-N
BMGC_DG06840,BMG_DG131141,C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O,[C@]12([C@@]([C@@H](C3=CC(=O)OC3)CC1)([C@H](O)C[C@]4([C@]2(CC[C@@]5(C[C@@H](O[C@@]6(O[C@H](C)[C@H]([C@H](C6)O)O[C@@]7(O[C@H](C)[C@H]([C@H](C7)O)O[C@@]8(O[C@H](C)[C@H]([C@H](C8)O)O[C@]9([C@@H]([C@@H](O)[C@@H]([C@H](O9)CO)O)O)[H])[H])[H])[H])CC[C@]45C)[H])[H])[H])C)O,"InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1",OBATZBGFDSVCJD-LALPQLPRSA-N
BMGC_DG06841,BMG_DG131172,CC1=C(C2=CC=CC=C2S1)CC3=NCCN3,c1(c(sc2c1cccc2)C)CC3=NCCN3,"InChI=1S/C13H14N2S/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9/h2-5H,6-8H2,1H3,(H,14,15)",NDNKHWUXXOFHTD-UHFFFAOYSA-N
BMGC_DG06842,BMG_DG131174,C1=CC=C2C(=C1)NC(=O)C(O2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,C1(C(Oc2c(N1)cccc2)(c3ccc(cc3)O)c4ccc(cc4)O)=O,"InChI=1S/C20H15NO4/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)19(24)21-17-3-1-2-4-18(17)25-20/h1-12,22-23H,(H,21,24)",BPKUDUSVDVLOPY-UHFFFAOYSA-N
BMGC_DG06843,BMG_DG131177,CN1C[C@@H](C[C@H]2[C@H]1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5,c12cn(C)c3c2c(ccc3)[C@@]4([C@@](C1)(N(C[C@H](CNC(=O)OCc5ccccc5)C4)C)[H])[H],"InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1",WZHJKEUHNJHDLS-QTGUNEKASA-N
BMGC_DG06844,BMG_DG131185,,c1cc(c(cc1C(=O)OC)O)O,,CUFLZUDASVUNOE-UHFFFAOYSA-N
BMGC_DG06845,BMG_DG131187,CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C,c1(c(c(C)c2c(o1)cc(OP(=S)(OCC)OCC)cc2)Cl)=O,"InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3",BXNANOICGRISHX-UHFFFAOYSA-N
BMGC_DG06846,BMG_DG131191,CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)O,c1(c(C(=O)O)cccn1)Nc2c(c(Cl)ccc2)C,"InChI=1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18)",CLOMYZFHNHFSIQ-UHFFFAOYSA-N
BMGC_DG06847,BMG_DG131192,CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)O,c1(c(c2ccc(cc2n(c1)CC)-c3ccncc3)=O)C(=O)O,"InChI=1S/C17H14N2O3/c1-2-19-10-14(17(21)22)16(20)13-4-3-12(9-15(13)19)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,21,22)",XBPZXDSZHPDXQU-UHFFFAOYSA-N
BMGC_DG06848,BMG_DG131222,CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC,c1ccc2c(c1)n(c(n2)NC(OC)=O)C(NCCCC)=O,"InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)",RIOXQFHNBCKOKP-UHFFFAOYSA-N
BMGC_DG06849,BMG_DG131227,CC1=CC=C(C=C1)O,c1(ccc(C)cc1)O,"InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3",IWDCLRJOBJJRNH-UHFFFAOYSA-N
BMGC_DG06850,BMG_DG131231,C(/C=C/Cl)O,,"InChI=1S/C3H5ClO/c4-2-1-3-5/h1-2,5H,3H2/b2-1+",HJGHXDNIPAWLLE-OWOJBTEDSA-N
BMGC_DG06851,BMG_DG131233,C[N+](C)(C)CC(CC(=O)[O-])O,C(CC(C[N+](C)(C)C)O)([O-])=O,"InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3",PHIQHXFUZVPYII-UHFFFAOYSA-N
BMGC_DG06852,BMG_DG131234,,n1(C(c2c(cccc2)OCc3cccc(c3)Cl)=C)cncc1,,WHPAGCJNPTUGGD-UHFFFAOYSA-N
BMGC_DG06853,BMG_DG131241,C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)[O-],,"InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)/p-2",IMZMKUWMOSJXDT-UHFFFAOYSA-L
BMGC_DG06854,BMG_DG131247,C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)O)C(=O)C=C(O2)C(=O)O,c1(c2c(cccc2OCC(COc3c4c(cc(oc4ccc3)C(=O)O)=O)O)oc(c1)C(=O)O)=O,"InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)",IMZMKUWMOSJXDT-UHFFFAOYSA-N
BMGC_DG06855,BMG_DG131248,,O=c1[nH]c(=O)c(F)cn1[C@@H]2OCCC2,,WFWLQNSHRPWKFK-ZCFIWIBFSA-N
BMGC_DG06856,BMG_DG131252,CCN(C1=CC=CC=C1C)C(=O)C=CC,,"InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3",DNTGGZPQPQTDQF-UHFFFAOYSA-N
BMGC_DG06857,BMG_DG131285,CCN(CC)C(=O)N[C@@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C,CN1C[C@@H](NC(=O)N(CC)CC)C=C2c3cccc4c3c(c[nH]4)C[C@]21[H],"InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1",BKRGVLQUQGGVSM-KBXCAEBGSA-N
BMGC_DG06858,BMG_DG131291,C1=CC=C(C=C1)C2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Cl,n1c(c(CC(=O)O)sc1-c2ccccc2)-c3ccc(cc3)Cl,"InChI=1S/C17H12ClNO2S/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21)",JIEKMACRVQTPRC-UHFFFAOYSA-N
BMGC_DG06859,BMG_DG131294,,c12c(c(c3c(cc1)cccc3)=NOCCNC)cccc2,,SEDQWOMFMIJKCU-UHFFFAOYSA-N
BMGC_DG06860,BMG_DG131296,CS(=O)(=O)N(CC1=CC=CO1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O,,"InChI=1S/C21H22N2O4S/c1-28(25,26)22(15-17-7-6-12-27-17)13-16(24)14-23-20-10-4-2-8-18(20)19-9-3-5-11-21(19)23/h2-12,16,24H,13-15H2,1H3",OQAFDLPAPSSOHY-UHFFFAOYSA-N
BMGC_DG06861,BMG_DG131299,C1=CC=C(C(=C1)O)O,c1ccc(c(c1)O)O,"InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H",YCIMNLLNPGFGHC-UHFFFAOYSA-N
BMGC_DG06862,BMG_DG131303,CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CC(=C5[C@@]4(CCC(=C5)OCCCl)C)C=O)F)O)C)OC(O2)(C)C,[C@@]12([C@@]3([C@@]([C@@]4(CC(C=O)=C5[C@@]([C@]4([C@H](C3)O)F)(CCC(OCCCl)=C5)C)[H])([H])C[C@]1(OC(O2)(C)C)[H])C)C(COC(=O)C)=O,"InChI=1S/C29H38ClFO8/c1-16(33)37-15-23(35)29-24(38-25(2,3)39-29)12-20-21-10-17(14-32)19-11-18(36-9-8-30)6-7-26(19,4)28(21,31)22(34)13-27(20,29)5/h11,14,20-22,24,34H,6-10,12-13,15H2,1-5H3/t20-,21-,22-,24+,26-,27-,28-,29+/m0/s1",QNXUUBBKHBYRFW-QWAPGEGQSA-N
BMGC_DG06863,BMG_DG131308,,n1([Si](C)(C)C)ccnc1,,YKFRUJSEPGHZFJ-UHFFFAOYSA-N
BMGC_DG06864,BMG_DG131313,CC1CC(CC(C1)(C)C)OC(=O)C(C2=CC=CC=C2)O,O(C1CC(C)CC(C)(C)C1)C(=O)C(c2ccccc2)O,"InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3",WZHCOOQXZCIUNC-UHFFFAOYSA-N
BMGC_DG06865,BMG_DG131321,CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31,C1(=CCCN(C)C)c2c(cccc2)C=Cc3c1cccc3,"InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3",JURKNVYFZMSNLP-UHFFFAOYSA-N
BMGC_DG06866,BMG_DG131329,CC(=O)OC1=CC=C(C=C1)C(=C2CCCCC2)C3=CC=C(C=C3)OC(=O)C,c1(C(=C2CCCCC2)c3ccc(OC(C)=O)cc3)ccc(cc1)OC(C)=O,"InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3",GVOUFPWUYJWQSK-UHFFFAOYSA-N
BMGC_DG06867,BMG_DG131334,,C1(=O)C[C@@]2([C@@](C[C@H](OC(=O)c3ccc(-c4ccccc4)cc3)[C@H]2CO)(O1)[H])[H],,SZJVIFMPKWMGSX-OKYOBFRVSA-N
BMGC_DG06868,BMG_DG131342,C1CCC(C1)(C(=O)O)N,C(C1(N)CCCC1)(=O)O,"InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)",NILQLFBWTXNUOE-UHFFFAOYSA-N
BMGC_DG06869,BMG_DG131345,,N1C(S[C@H](C1=O)Cc2ccc(OCCc3ncc(cc3)CC)cc2)=O,,HYAFETHFCAUJAY-KRWDZBQOSA-N
BMGC_DG06870,BMG_DG131346,,N1C(S[C@@H](C1=O)Cc2ccc(OCCc3ncc(cc3)CC)cc2)=O,,HYAFETHFCAUJAY-QGZVFWFLSA-N
BMGC_DG06871,BMG_DG131351,,c12c(c(C)c(s1)C)c(N)ncn2,,DJXOGZDFPCBFPP-UHFFFAOYSA-N
BMGC_DG06872,BMG_DG131355,CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(C)Cl,,"InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1",KDLRVYVGXIQJDK-NOWPCOIGSA-N
BMGC_DG06873,BMG_DG131362,C1CCC(C1)CC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl,S1(c2c(cc(c(S(=O)(=O)N)c2)Cl)NC(N1)CC3CCCC3)(=O)=O,"InChI=1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19)",BKYKPTRYDKTTJY-UHFFFAOYSA-N
BMGC_DG06874,BMG_DG131366,CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O,C(C(=O)OCCN(C)C)(C1(O)CCCC1)c2ccccc2,"InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3",SKYSRIRYMSLOIN-UHFFFAOYSA-N
BMGC_DG06875,BMG_DG131374,C1CNP(=O)(OC1)N(CCCl)CCCl,P1(NCCCO1)(N(CCCl)CCCl)=O,"InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)",CMSMOCZEIVJLDB-UHFFFAOYSA-N
BMGC_DG06876,BMG_DG131381,C1C2=CC=CC=C2OC(=O)N1CC(=O)N,C1(N(Cc2c(O1)cccc2)CC(=O)N)=O,"InChI=1S/C10H10N2O3/c11-9(13)6-12-5-7-3-1-2-4-8(7)15-10(12)14/h1-4H,5-6H2,(H2,11,13)",KYCBWEZLKCTALM-UHFFFAOYSA-N
BMGC_DG06877,BMG_DG131382,C1=CC=C(C=C1)C2=C(OC(=N2)N(CCO)CCO)C3=CC=CC=C3,c1(c(-c2ccccc2)oc(n1)N(CCO)CCO)-c3ccccc3,"InChI=1S/C19H20N2O3/c22-13-11-21(12-14-23)19-20-17(15-7-3-1-4-8-15)18(24-19)16-9-5-2-6-10-16/h1-10,22-23H,11-14H2",UUCMDZWCRNZCOY-UHFFFAOYSA-N
BMGC_DG06878,BMG_DG131383,C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O,C(NC(=N)NCCCCCCNC(NC(Nc1ccc(cc1)Cl)=N)=N)(Nc2ccc(cc2)Cl)=N.OC[C@H]([C@H]([C@@H]([C@H](C(O)=O)O)O)O)O.OC[C@H]([C@H]([C@@H]([C@H](C(O)=O)O)O)O)O,"InChI=1S/C22H30Cl2N10.2C6H12O7/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1",YZIYKJHYYHPJIB-UUPCJSQJSA-N
BMGC_DG06879,BMG_DG131390,C1C2CC(C1C=C2)C3NC4=CC(=C(C=C4S(=O)(=O)N3)S(=O)(=O)N)Cl,S1(NC(Nc2c1cc(S(=O)(=O)N)c(Cl)c2)C3C4C=CC(C3)C4)(=O)=O,"InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)",BOCUKUHCLICSIY-UHFFFAOYSA-N
BMGC_DG06880,BMG_DG131391,,P(O)(O)(=O)Oc1cccc2c1c(CCN(C)C)cn2C,,IXYYGDKANFIKTQ-UHFFFAOYSA-N
BMGC_DG06881,BMG_DG131393,C1CCN(CC1)CCC(C2CCCC2)(C3=CC=CC=C3)O,C(CCN1CCCCC1)(c2ccccc2)(C3CCCC3)O,"InChI=1S/C19H29NO/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2",SWRUZBWLEWHWRI-UHFFFAOYSA-N
BMGC_DG06882,BMG_DG131395,CCCCCCCCCCOC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OCC)OCC,c1(c(c2cc(OCCCCCCCCCC)c(cc2nc1)OCC)O)C(=O)OCC,"InChI=1S/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26)",JHAYEQICABJSTP-UHFFFAOYSA-N
BMGC_DG06883,BMG_DG131399,CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C,C1(C(C=C(Cl)Cl)C1(C)C)C(OC(c2cc(Oc3ccccc3)ccc2)C#N)=O,"InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3",KAATUXNTWXVJKI-UHFFFAOYSA-N
BMGC_DG06884,BMG_DG131401,,COc1cc(CNc2ccc3nc(N)nc(N)c3c2)cc(OC)c1OC,,YYJWQABXDCUJEF-UHFFFAOYSA-N
BMGC_DG06885,BMG_DG131404,CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1,C1(c2c(C=Cc3c1cccc3)cccc2)=C4CCN(CC4)C,"InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3",JJCFRYNCJDLXIK-UHFFFAOYSA-N
BMGC_DG06886,BMG_DG131412,COC(=O)[C@H](CS)N,O(C)C([C@H](CS)N)=O,"InChI=1S/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m0/s1",MCYHPZGUONZRGO-VKHMYHEASA-N
BMGC_DG06887,BMG_DG131429,,c1(c(ccc(c1)[N+](=O)[O-])C)S(=O)(=O)N(C)C,,IFIUFCJFLGCQPH-UHFFFAOYSA-N
BMGC_DG06888,BMG_DG131441,C1=CC=C(C=C1)NC2=CC=C(C=C2)C(=O)O,,"InChI=1S/C13H11NO2/c15-13(16)10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,(H,15,16)",DPAMLADQPZFXMD-UHFFFAOYSA-N
BMGC_DG06889,BMG_DG131443,C1CN(C(=O)NC1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,N1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO)O)C(NC(CC1)O)=O,"InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5?,6-,7-,8-/m1/s1",UCKYOOZPSJFJIZ-XVKVHKPRSA-N
BMGC_DG06890,BMG_DG131453,,c1(N)ccc2nc(N)nc(c2c1)N,,LJBWEZVYRBKOCI-UHFFFAOYSA-N
BMGC_DG06891,BMG_DG131460,C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4,c1(ccncc1)NC(C(c2c3ccccc3n(Cc4ccc(cc4)Cl)c2)=O)=O,"InChI=1S/C22H16ClN3O2/c23-16-7-5-15(6-8-16)13-26-14-19(18-3-1-2-4-20(18)26)21(27)22(28)25-17-9-11-24-12-10-17/h1-12,14H,13H2,(H,24,25,28)",SOLIIYNRSAWTSQ-UHFFFAOYSA-N
BMGC_DG06892,BMG_DG131461,,C(C)(=O)NC=1SC(N(N1)C(=O)C)(c2ccccc2)C,,JEFVYQYZCAVNTP-UHFFFAOYSA-N
BMGC_DG06893,BMG_DG131466,CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O)N=O,[C@@H]1(NC(N(N=O)C)=O)[C@H]([C@H](O)[C@H](O[C@@H]1O)CO)O,"InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7+/m1/s1",ZSJLQEPLLKMAKR-GKHCUFPYSA-N
BMGC_DG06894,BMG_DG131499,C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O,,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2",GUBGYTABKSRVRQ-UHFFFAOYSA-N
BMGC_DG06895,BMG_DG131500,C1CC2C(C1)C3CC2CC3OC(=S)[S-],,"InChI=1S/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)/p-1",PWLXJBSAUKKGCM-UHFFFAOYSA-M
BMGC_DG06896,BMG_DG131502,C1CC2C(C1)C3CC2CC3OC(=S)S,,"InChI=1S/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)",PWLXJBSAUKKGCM-UHFFFAOYSA-N
BMGC_DG06897,BMG_DG131513,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,[C@@H]1([C@H](O)[C@@H](CO)NC[C@@H]1O)O,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1",LXBIFEVIBLOUGU-JGWLITMVSA-N
BMGC_DG06898,BMG_DG131529,,c12c(C(=O)c3c(C1=O)cccc3)cc(c(c2OC)C=O)O,,IPDMWUNUULAXLU-UHFFFAOYSA-N
BMGC_DG06899,BMG_DG131536,C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O,C1(c2c(cccc2O)C(c3c1c(O)ccc3)=O)=O,"InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H",QBPFLULOKWLNNW-UHFFFAOYSA-N
BMGC_DG06900,BMG_DG131537,,n1c(nc2c(c1N)cc(c(OC)c2)OC)N(C)C,,JALPLGVFZRCLGE-UHFFFAOYSA-N
BMGC_DG06901,BMG_DG131540,,c1(C(OCCCCOC(c2ccccc2)=O)=O)ccccc1,,YHOWYTOWCBNTHB-UHFFFAOYSA-N
BMGC_DG06902,BMG_DG131550,C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N,S(c1ccc(cc1)N)(c2ccc(cc2)N)(=O)=O,"InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2",MQJKPEGWNLWLTK-UHFFFAOYSA-N
BMGC_DG06903,BMG_DG131558,C1CS(=O)(=O)NCN1CN2CCS(=O)(=O)NC2,S1(NCN(CC1)CN2CNS(CC2)(=O)=O)(=O)=O,"InChI=1S/C7H16N4O4S2/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11/h8-9H,1-7H2",AJKIRUJIDFJUKJ-UHFFFAOYSA-N
BMGC_DG06904,BMG_DG131581,,c12c(c3ccccc3oc1c(CO)ccc2NCCN(CC)CC)=O,,FKEBOYZZRAPIFN-UHFFFAOYSA-N
BMGC_DG06905,BMG_DG131591,C1CN(CC2=CC=CC=C21)C(=N)N,c12c(CCN(C1)C(N)=N)cccc2,"InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)",JWPGJSVJDAJRLW-UHFFFAOYSA-N
BMGC_DG06906,BMG_DG131597,,NC(=N)NC(=N)Nc1c(Cl)cccc1,,MKWFJPZMYHPQIA-UHFFFAOYSA-N
BMGC_DG06907,BMG_DG131602,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,[N+](CCCCCCCCCC[N+](C)(C)C)(C)(C)C,"InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2",MTCUAOILFDZKCO-UHFFFAOYSA-N
BMGC_DG06908,BMG_DG131604,CCCCCCCCCC(=O)O,C(=O)(O)CCCCCCCCC,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",GHVNFZFCNZKVNT-UHFFFAOYSA-N
BMGC_DG06909,BMG_DG131607,,c1(n(c(-c2sc(N)nn2)nc1)C)[N+]([O-])=O,,VDZZTXBMKRQEPO-UHFFFAOYSA-N
BMGC_DG06910,BMG_DG131608,C,C,InChI=1S/CH4/h1H4,VNWKTOKETHGBQD-UHFFFAOYSA-N
BMGC_DG06911,BMG_DG131610,CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C,O=C1C(OC)=C(OC)C(=O)C(=C1C)CCCCCCCCCC,"InChI=1S/C19H30O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h5-13H2,1-4H3",VMEGFMNVSYVVOM-UHFFFAOYSA-N
BMGC_DG06912,BMG_DG131612,CC1=C(C(=O)C=CN1C)O,c1(c(n(C)ccc1=O)C)O,"InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3",TZXKOCQBRNJULO-UHFFFAOYSA-N
BMGC_DG06913,BMG_DG131615,CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O,C(N(O)CCCCCN)(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O,"InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)",UBQYURCVBFRUQT-UHFFFAOYSA-N
BMGC_DG06914,BMG_DG131618,CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl,n1(-c2cc(c(Cl)cc2Cl)OC(C)C)nc(C(C)(C)C)oc1=O,"InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3",CHNUNORXWHYHNE-UHFFFAOYSA-N
BMGC_DG06915,BMG_DG131629,,c1c2c3c([nH]c2ccc1)-c4c(SC3)cccc4,,ZGOOPZVQMLHPFM-UHFFFAOYSA-N
BMGC_DG06916,BMG_DG131635,CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O,,"InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3",CYQFCXCEBYINGO-UHFFFAOYSA-N
BMGC_DG06917,BMG_DG131649,CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CC(=O)C,n1(c(n(c2ncn(CC(C)=O)c2c1=O)CCCC)=O)CCCC,"InChI=1S/C16H24N4O3/c1-4-6-8-19-14-13(18(11-17-14)10-12(3)21)15(22)20(16(19)23)9-7-5-2/h11H,4-10H2,1-3H3",HJPRDDKCXVCFOH-UHFFFAOYSA-N
BMGC_DG06918,BMG_DG131666,,Nc1nc2c(s1)cccc2Cl,,OEQQFQXMCPMEIH-UHFFFAOYSA-N
BMGC_DG06919,BMG_DG131721,CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C,[n+]1(c2c(cccc2)c(cc1C)N)CCCCCCCCCC[n+]3c4c(cccc4)c(cc3C)N,"InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2",PCSWXVJAIHCTMO-UHFFFAOYSA-P
BMGC_DG06920,BMG_DG131739,[Fe+3],[Fe+3],InChI=1S/Fe/q+3,VTLYFUHAOXGGBS-UHFFFAOYSA-N
BMGC_DG06921,BMG_DG131752,CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31,N1(c2c(CCc3c1cccc3)cccc2)CCCNC,"InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3",HCYAFALTSJYZDH-UHFFFAOYSA-N
BMGC_DG06922,BMG_DG131759,C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.[Ca+2],S(c1cc(O)ccc1O)([O-])(=O)=O.[Ca+2].S(c1cc(O)ccc1O)([O-])(=O)=O,"InChI=1S/2C6H6O5S.Ca/c2*7-4-1-2-5(8)6(3-4)12(9,10)11;/h2*1-3,7-8H,(H,9,10,11);/q;;+2/p-2",QGNBTYAQAPLTMX-UHFFFAOYSA-L
BMGC_DG06923,BMG_DG131760,,c1-2c(cc(=O)c(cc1)OC)[C@@H](NC(=O)C)CCc3c2c(c(OC)c(c3)O)OC,,JRRUSQGIRBEMRN-HNNXBMFYSA-N
BMGC_DG06924,BMG_DG131762,C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3,c12C(=NCC(Nc1ccc(c2)Cl)=O)c3ccccc3,"InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)",AKPLHCDWDRPJGD-UHFFFAOYSA-N
BMGC_DG06925,BMG_DG131802,COC1=CC(=C(C=C1CCN)OC)Cl,c1c(c(cc(c1OC)CCN)OC)Cl,"InChI=1S/C10H14ClNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3",CGKQFIWIPSIVAS-UHFFFAOYSA-N
BMGC_DG06926,BMG_DG131811,CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,c1(c(ccc(c1)CNC(=O)CCCCCCCC)O)OC,"InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)",RGOVYLWUIBMPGK-UHFFFAOYSA-N
BMGC_DG06927,BMG_DG131829,CNCC[C@@H](C1=CC=CS1)OC2=CC=C(C3=CC=CC=C32)O,,"InChI=1S/C18H19NO2S/c1-19-11-10-17(18-7-4-12-22-18)21-16-9-8-15(20)13-5-2-3-6-14(13)16/h2-9,12,17,19-20H,10-11H2,1H3/t17-/m0/s1",DRRXQCXSBONKPD-KRWDZBQOSA-N
BMGC_DG06928,BMG_DG131831,CNCC[C@@H](C1=CC=CS1)OC2=CC=C(C3=CC=CC=C32)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,O(c1c2c(c(cc1)O[C@@H](CCNC)c3cccs3)cccc2)[C@@H]4O[C@H](C(O)=O)[C@H]([C@@H]([C@H]4O)O)O,"InChI=1S/C24H27NO8S/c1-25-11-10-17(18-7-4-12-34-18)31-15-8-9-16(14-6-3-2-5-13(14)15)32-24-21(28)19(26)20(27)22(33-24)23(29)30/h2-9,12,17,19-22,24-28H,10-11H2,1H3,(H,29,30)/t17-,19-,20-,21+,22-,24+/m0/s1",OBIZFSZXDHWUJZ-ANUWOGMRSA-N
BMGC_DG06929,BMG_DG131837,,c1(sccc1)[C@@H](Oc2c3c(ccc2)c(c(cc3)OC)O)CCNC,,MHWRJCBZOCBFBD-INIZCTEOSA-N
BMGC_DG06930,BMG_DG131855,,N1(CCC(CC1)=C2c3c(CCc4c2[n+](ccc4)[O-])cc(cc3)Cl)C(=O)OCC,,AEYRDESTWAYZTA-UHFFFAOYSA-N
BMGC_DG06931,BMG_DG131893,C[C@H]1CCC[C@@H](CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1)O,c12c(c(cc(c1)O)O)C(O[C@H](CCC[C@@H](CCCCC2)O)C)=O,"InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1",DWTTZBARDOXEAM-GXTWGEPZSA-N
BMGC_DG06932,BMG_DG131895,C(C(=O)O)Cl,C(=O)(O)CCl,"InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)",FOCAUTSVDIKZOP-UHFFFAOYSA-N
BMGC_DG06933,BMG_DG131899,C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C,[C@]12([C@@]3([C@@]([C@@]4([C@@]([C@@H]([C@H](O)CC4)C)([H])CC3)C)([H])[C@@H](C[C@]1(/C(=C(/C(=O)O)\CCC=C(C)C)/[C@H](C2)OC(=O)C)[H])O)C)C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",IECPWNUMDGFDKC-MZJAQBGESA-N
BMGC_DG06934,BMG_DG131903,CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4,[C@@]12([H])[C@](O1)([H])[C@@H]3C[C@H](OC(=O)[C@@H](c4ccccc4)CO)C[C@H]2N3C,"InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12-,13-,14+,15-,16+/m1/s1",STECJAGHUSJQJN-FWXGHANASA-N;STECJAGHUSJQJN-USLFZFAMSA-N
BMGC_DG06935,BMG_DG131907,,C(=C/OC)(\C(=O)OC)/[C@@H]1[C@@H](CN2CCc3c4ccccc4[nH]c3[C@]2([H])C1)CC,,NMLUOJBSAYAYEM-QALMDFCDSA-N
BMGC_DG06936,BMG_DG131909,O.[O-]Cl=O.[O-]Cl=O.[O-]Cl=O.[O-]Cl=O.O=O,,"InChI=1S/4ClHO2.O2.H2O/c4*2-1-3;1-2;/h4*(H,2,3);;1H2/p-4",VOWOEBADKMXUBU-UHFFFAOYSA-J
BMGC_DG06937,BMG_DG131911,CCO[C@@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@@](CC3)(OO4)C)C)C,[H][C@]12CC[C@H]([C@@]3(CC[C@@]4(O[C@](O[C@@H]([C@@H]1C)OCC)([H])[C@]23OO4)C)[H])C,"InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1",NLYNIRQVMRLPIQ-XQLAAWPRSA-N
BMGC_DG06938,BMG_DG131915,C[C@H]1C(=O)N[C@H](C(=O)N/C(=C/NC(=O)N)/C(=O)N[C@H](C(=O)NC[C@@H](C(=O)N1)N)[C@H]2CCN=C(N2)N)CNC(=O)C[C@H](CCCN)N.C1CN=C(N[C@H]1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C/NC(=O)N)/C(=O)N2)CNC(=O)C[C@H](CCCN)N)CO)N)N,,"InChI=1S/C25H44N14O8.C25H44N14O7/c26-4-1-2-11(27)6-17(41)32-8-14-20(43)35-15(9-34-25(30)47)21(44)39-18(13-3-5-31-24(29)38-13)23(46)33-7-12(28)19(42)37-16(10-40)22(45)36-14;1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11/h9,11-14,16,18,40H,1-8,10,26-28H2,(H,32,41)(H,33,46)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47);10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46)/b15-9+;16-10+/t11-,12-,13+,14-,16-,18-;11-,12-,13-,14+,15-,18-/m00/s1",VCOPTHOUUNAYKQ-WBTCAYNUSA-N
BMGC_DG06939,BMG_DG131917,C1CCN[C@H](C1)[C@@H](C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O,c12nc(cc(c1cccc2C(F)(F)F)[C@H]([C@]3(CCCCN3)[H])O)C(F)(F)F,"InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15-/m1/s1",XEEQGYMUWCZPDN-IUODEOHRSA-N
BMGC_DG06940,BMG_DG131918,C1CCN[C@@H](C1)[C@H](C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O,c12nc(C(F)(F)F)cc(c1cccc2C(F)(F)F)[C@@H]([C@]3(NCCCC3)[H])O,"InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15-/m0/s1",XEEQGYMUWCZPDN-WFASDCNBSA-N
BMGC_DG06941,BMG_DG131919,C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)O)C,C[C@@H]1[C@]2([C@]34[C@@](O[C@](C)(OO3)CC[C@]4([C@H](C)CC2)[H])(O[C@@H]1O)[H])[H],"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1",BJDCWCLMFKKGEE-ISOSDAIHSA-N
BMGC_DG06942,BMG_DG131920,CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O,[C@]1(O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)O)([C@](NC([C@H]2N(C[C@@H](C2)CCC)C)=O)([C@H](O)C)[H])[H],"InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1",OJMMVQQUTAEWLP-KIDUDLJLSA-N
BMGC_DG06943,BMG_DG131925,C1=CC(=CC=C1N)S(=O)(=O)NC(=S)N,c1cc(N)ccc1S(=O)(=O)NC(=S)N,"InChI=1S/C7H9N3O2S2/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13/h1-4H,8H2,(H3,9,10,13)",UEMLYRZWLVXWRU-UHFFFAOYSA-N
BMGC_DG06944,BMG_DG131926,,C(NNC(=O)c1ccncc1)(=S)N,,VXVGIABASNIWKS-UHFFFAOYSA-N
BMGC_DG06945,BMG_DG131933,,n12c(sc([nH]1)=S)nnc2C,,NBEJIOMDWFNHOW-UHFFFAOYSA-N
BMGC_DG06946,BMG_DG131941,C[C@H]1C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O1)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C,O1C([C@H](NC([C@H](OC([C@@H](NC([C@@H](OC([C@H](NC([C@H](OC([C@@H](NC([C@@H](OC([C@H](NC([C@H](OC([C@@H](NC([C@@H]1C)=O)C(C)C)=O)C(C)C)=O)C(C)C)=O)C)=O)C(C)C)=O)C(C)C)=O)C(C)C)=O)C)=O)C(C)C)=O)C(C)C)=O)C(C)C)=O,"InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m0/s1",FCFNRCROJUBPLU-DNDCDFAISA-N
BMGC_DG06947,BMG_DG131943,CCCC(C)C1(C(=O)NC(=S)NC1=O)CC,C1(C(C(NC(N1)=S)=O)(C(CCC)C)CC)=O,"InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",IUJDSEJGGMCXSG-UHFFFAOYSA-N
BMGC_DG06948,BMG_DG131944,,C(Nc1ccccc1)(=S)NCC(=O)O,,UWTLARNSDZXILM-UHFFFAOYSA-N
BMGC_DG06949,BMG_DG131954,CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)OCC=C(C)C,c1(OCC=C(C)C)c(ccc(c1)NC(c2c(occ2)C)=S)Cl,"InChI=1S/C17H18ClNO2S/c1-11(2)6-8-21-16-10-13(4-5-15(16)18)19-17(22)14-7-9-20-12(14)3/h4-7,9-10H,8H2,1-3H3,(H,19,22)",YZHIXLCGPOTQNB-UHFFFAOYSA-N
BMGC_DG06950,BMG_DG131970,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O,S(Oc1cc2CC[C@]3([C@@]4(CCC([C@]4(CC[C@@]3(c2cc1)[H])C)=O)[H])[H])(=O)(=O)O,"InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1",JKKFKPJIXZFSSB-CBZIJGRNSA-N
BMGC_DG06951,BMG_DG131973,CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C,,"InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+",VMXUWOKSQNHOCA-UKTHLTGXSA-N
BMGC_DG06952,BMG_DG131993,CCCCN1C(=O)[C@H](NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)[C@@H](C5CCCCC5)O,C12(CCN(Cc3ccc(Oc4ccc(cc4)C(=O)O)cc3)CC1)C(N[C@@](C(N2CCCC)=O)([C@@H](C5CCCCC5)O)[H])=O,"InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1",GWNOTCOIYUNTQP-FQLXRVMXSA-N
BMGC_DG06953,BMG_DG131997,CC(C)CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCCC(C)C,C(Nc1ccc(cc1)OCCC(C)C)(Nc2ccc(cc2)OCCC(C)C)=S,"InChI=1S/C23H32N2O2S/c1-17(2)13-15-26-21-9-5-19(6-10-21)24-23(28)25-20-7-11-22(12-8-20)27-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,24,25,28)",BWBONKHPVHMQHE-UHFFFAOYSA-N
BMGC_DG06954,BMG_DG132006,,C[C@@]12C=3C([C@@]4(C)[C@](C)(CC3)[C@@]([C@@H](CC[C@@H]([C@](CO)(C)O)O)C)(CC4)[H])=CC[C@]1(C(C)(C)C(=O)CC2)[H],,KASALCUNLBTNAA-LIPCCPSCSA-N
BMGC_DG06955,BMG_DG132014,,c1(NC(Nc2ccc(N(C)C)cc2)=S)ccc(OCCCC)cc1,,JYCBKPOKWDDOOV-UHFFFAOYSA-N
BMGC_DG06956,BMG_DG132023,CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C,[C@H]1(O[C@@]2([C@H](C([C@H](C(O[C@@H]([C@@]3([C@H](N(C(O3)=O)CCCCn4cc(-c5cnccc5)nc4)[C@@H](C)C([C@@H](C[C@@]2(C)OC)C)=O)C)CC)=O)C)=O)C)[H])[C@@H]([C@H](C[C@@H](C)O1)N(C)C)O,"InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1",LJVAJPDWBABPEJ-PNUFFHFMSA-N
BMGC_DG06957,BMG_DG132032,C1C(S/C(=C(\C#N)/N2C=CN=C2)/S1)C3=CC=CC=C3Cl,S1/C(=C(\n2ccnc2)/C#N)/SC(c3c(cccc3)Cl)C1,"InChI=1S/C14H10ClN3S2/c15-11-4-2-1-3-10(11)13-8-19-14(20-13)12(7-16)18-6-5-17-9-18/h1-6,9,13H,8H2/b14-12+",ZRTQSJFIDWNVJW-WYMLVPIESA-N
BMGC_DG06958,BMG_DG132034,CC1=NN=C(N1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C,[C@H]1(n2c(C)nnc2C(C)C)C[C@@H]3CC[C@@H](N3CC[C@@H](c4ccccc4)NC(C5CCC(F)(F)CC5)=O)C1;[C@H]1(C[C@@H]2CC[C@@H](N2CC[C@@H](c3ccccc3)NC(C4CCC(F)(F)CC4)=O)C1)n5c(C)nnc5C(C)C,"InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25?,26-/m0/s1",GSNHKUDZZFZSJB-QYOOZWMWSA-N;GSNHKUDZZFZSJB-HLMSNRGBSA-N;GSNHKUDZZFZSJB-QUMGSSFMSA-N
BMGC_DG06959,BMG_DG132037,C1[C@H](S/C(=C(\C#N)/N2C=CN=C2)/S1)C3=C(C=C(C=C3)Cl)Cl,n1(/C(=C\2/S[C@@H](CS2)c3ccc(cc3Cl)Cl)/C#N)ccnc1,"InChI=1S/C14H9Cl2N3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+/t13-/m0/s1",YTAOBBFIOAEMLL-REQDGWNSSA-N
BMGC_DG06960,BMG_DG132038,,S=C1NC(=O)C(Cc2oc(-c3c(cccc3)C(F)(F)F)cc2)C(=O)N1,,DNZPLHRZXUJATK-UHFFFAOYSA-N
BMGC_DG06961,BMG_DG132073,,C(Nc1cc2[nH]ncc2cc1)(Nc3cc4[nH]ncc4cc3)=S,,OTJWJLLGPAFTIP-UHFFFAOYSA-N
BMGC_DG06962,BMG_DG132094,,n12c(n[nH]c1=S)sc3c2ccc(C)c3,,PNCWBLPFJAQSMI-UHFFFAOYSA-N
BMGC_DG06963,BMG_DG132111,,COc1c2[nH]c3ccccc3c(=S)c2c(OC)cc1,,KFAKESMKRPNZTM-UHFFFAOYSA-N
BMGC_DG06964,BMG_DG132118,COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2,,"InChI=1S/C22H29N3O3S2/c1-28-22(27)20(10-11-30-2)25-21(26)18-9-8-17(24-13-16(23)14-29)12-19(18)15-6-4-3-5-7-15/h3-9,12,16,20,24,29H,10-11,13-14,23H2,1-2H3,(H,25,26)/t16-,20+/m1/s1",GKFPROVOIQKYTO-UZLBHIALSA-N
BMGC_DG06965,BMG_DG132119,CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,C(CC(=O)O)(CC(=O)O)(C(=O)O)O.C(=C(\c1ccccc1)/CCCl)(\c2ccc(cc2)OCCN(C)C)/c3ccccc3,"InChI=1S/C26H28ClNO.C6H8O7/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-16H,17-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;",IWEQQRMGNVVKQW-OQKDUQJOSA-N
BMGC_DG06966,BMG_DG132120,CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3,C(=C(\c1ccccc1)/CCCl)(\c2ccc(cc2)OCCN(C)C)/c3ccccc3,"InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-",XFCLJVABOIYOMF-QPLCGJKRSA-N
BMGC_DG06967,BMG_DG132136,CC(CC1=CC=CC=C1)N,C(c1ccccc1)C(N)C,"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3",KWTSXDURSIMDCE-UHFFFAOYSA-N
BMGC_DG06968,BMG_DG132139,,[Zn+2].[Cl-].[Cl-],,JIAARYAFYJHUJI-UHFFFAOYSA-L
BMGC_DG06969,BMG_DG132141,[O-2].[Zn+2],[O-2].[Zn+2],InChI=1S/O.Zn/q-2;+2,RNWHGQJWIACOKP-UHFFFAOYSA-N
BMGC_DG06970,BMG_DG132144,CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC,,"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3",MKXZASYAUGDDCJ-UHFFFAOYSA-N
BMGC_DG06971,BMG_DG132148,,OCCC#Cc1n(c(c(n1)-c2ccc(cc2)F)-c3ccncc3)CCCc4ccccc4,,QSUSKMBNZQHHPA-UHFFFAOYSA-N
BMGC_DG06972,BMG_DG132154,,O(c1c2c(Oc3c(O2)c(O)c(c(O)c3)-c4c(O)c5c(cc4O)Oc6c(O5)c(Oc7cc(O)cc(O)c7)c(O)cc6O)c(O)cc1O)c8cc(O)cc(O)c8,,FHYNTHBAMAEFJB-UHFFFAOYSA-N
BMGC_DG06973,BMG_DG132155,,c1(cc(cc(c1)Oc2c3Oc4c(cc(cc4Oc3c(O)cc2O)Oc5c(cc(cc5O)Oc6c7c(c(O)cc6O)Oc8c(c(O)cc(c8)O)O7)O)O)O)O,,DRZQFGYIIYNNEC-UHFFFAOYSA-N
BMGC_DG06974,BMG_DG132157,C(CC(C(F)F)(C(=O)O)N)CN,C(C(=O)O)(C(F)F)(N)CCCN,"InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)",VLCYCQAOQCDTCN-UHFFFAOYSA-N
BMGC_DG06975,BMG_DG132161,C[C@H]1CN(CCN1[C@@H](COC)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C,C1CC(N2CCN([C@@H](COC)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)(C)CCN1C(=O)c4c(ncnc4C)C,"InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24-/m0/s1",CNPVJJQCETWNEU-CYFREDJKSA-N
BMGC_DG06976,BMG_DG132162,,c1nc(cn1C(CCc2ccccc2)CO)C(=O)N,,ZUYUIKKHHBEVHL-UHFFFAOYSA-N
BMGC_DG06977,BMG_DG132174,CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5,[C@H]1(C(N[C@H](C(C(NC2CC2)=O)=O)CCC)=O)N(C[C@@]3([H])[C@]1([H])CCC3)C([C@@H](NC([C@@H](NC(=O)c4cnccn4)C5CCCCC5)=O)C(C)(C)C)=O,"InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1",BBAWEDCPNXPBQM-GDEBMMAJSA-N
BMGC_DG06978,BMG_DG132179,COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N,n1(c2c(c(OC)nc(n2)N)nc1)[C@H]3[C@H]([C@H](O)[C@H](O3)CO)O,"InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1",IXOXBSCIXZEQEQ-UHTZMRCNSA-N
BMGC_DG06979,BMG_DG132187,CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(C4=CC=CC=C4)C5=CC=C(C=C5)F)CC3,c1(ccc(C(c2ccccc2)=C3CCN(CCc4c(nc5n(c4=O)ccs5)C)CC3)cc1)F,"InChI=1S/C27H26FN3OS/c1-19-24(26(32)31-17-18-33-27(31)29-19)13-16-30-14-11-22(12-15-30)25(20-5-3-2-4-6-20)21-7-9-23(28)10-8-21/h2-10,17-18H,11-16H2,1H3",MFVJXLPANKSLLD-UHFFFAOYSA-N
BMGC_DG06980,BMG_DG132189,CN1CC[C@@H]([C@H](C1)COC2=CC=C(C=C2)OC)C3=CC=CC=C3,[C@H]1([C@H](CCN(C1)C)c2ccccc2)COc3ccc(OC)cc3,"InChI=1S/C20H25NO2/c1-21-13-12-20(16-6-4-3-5-7-16)17(14-21)15-23-19-10-8-18(22-2)9-11-19/h3-11,17,20H,12-15H2,1-2H3/t17-,20-/m1/s1",OJSFTALXCYKKFQ-YLJYHZDGSA-N
BMGC_DG06981,BMG_DG132197,CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C2=CC=CC=C2,[C@]1(CCC=C[C@H]1N(C)C)(c2ccccc2)C(OCC)=O;[C@]1([C@H](N(C)C)C=CCC1)(C(=O)OCC)c2ccccc2,"InChI=1S/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3/t15-,17+/m1/s1",WDEFBBTXULIOBB-WBVHZDCISA-N
BMGC_DG06982,BMG_DG132204,C1C[C@H](N(C1)C(=O)CN)C(=O)O,C(CN)(=O)N1[C@H](C(O)=O)CCC1,"InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1",KZNQNBZMBZJQJO-YFKPBYRVSA-N
BMGC_DG06983,BMG_DG132208,,,,
BMGC_DG06984,BMG_DG132220,,O(C)c1c2c(cc(c1C(C)=O)O)occ2,,JGNYBYBMPAOPJD-UHFFFAOYSA-N
BMGC_DG06985,BMG_DG132240,C1=CC(=CC=C1C(=O)[O-])F,,"InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/p-1",BBYDXOIZLAWGSL-UHFFFAOYSA-M
BMGC_DG06986,BMG_DG132486,CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,c12c(N(C(=O)CN=C1c3ccccc3)C)ccc(c2)Cl,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3",AAOVKJBEBIDNHE-UHFFFAOYSA-N
BMGC_DG06987,BMG_DG132585,,,,
BMGC_DG06988,BMG_DG132609,[I-],[I-],InChI=1S/HI/h1H/p-1,XMBWDFGMSWQBCA-UHFFFAOYSA-M
BMGC_DG06989,BMG_DG132680,,C1(=NCCN1)Cc2c(cc(cc2C)C)C,,DUHARNKZLBMPBS-UHFFFAOYSA-N
BMGC_DG06990,BMG_DG132693,CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C,n1c(nc(cc1OP(=S)(OCC)OCC)C)C(C)C,"InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3",FHIVAFMUCKRCQO-UHFFFAOYSA-N
BMGC_DG06991,BMG_DG132845,,C(c1c(ccc(c1)S(=O)(=O)N)OC)(=O)NCC2N(CCC2)C,,QCKAYJICSQJJCU-UHFFFAOYSA-N
BMGC_DG06992,BMG_DG132867,CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl,S1(NC(C)=Nc2c1cc(cc2)Cl)(=O)=O,"InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)",GDLBFKVLRPITMI-UHFFFAOYSA-N
BMGC_DG06993,BMG_DG132908,COC1CNCCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl,,"InChI=1S/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19)",OMLDMGPCWMBPAN-UHFFFAOYSA-N
BMGC_DG06994,BMG_DG133185,CC1CC(=O)NN=C1C2=CC=C(C=C2)N3C=CN=C3,C1(CC(C(=NN1)c2ccc(cc2)-n3ccnc3)C)=O,"InChI=1S/C14H14N4O/c1-10-8-13(19)16-17-14(10)11-2-4-12(5-3-11)18-7-6-15-9-18/h2-7,9-10H,8H2,1H3,(H,16,19)",AEZZPAQOEUQNBB-UHFFFAOYSA-N
BMGC_DG06995,BMG_DG133188,CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O,O1c2c(C=CC1(C)CCC=C(C)C)c(cc(c2)CCCCC)O,"InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3",UVOLYTDXHDXWJU-UHFFFAOYSA-N
BMGC_DG06996,BMG_DG133249,CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3,,"InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3",CBQGYUDMJHNJBX-UHFFFAOYSA-N
BMGC_DG06997,BMG_DG133530,CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC,c1(C(=O)NCCN(CC)CC)c2c(cccc2)nc(c1)OCCCC,"InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)",PUFQVTATUTYEAL-UHFFFAOYSA-N
BMGC_DG06998,BMG_DG133552,C1=CC=C(C=C1)C(COC(=O)N)C(=O)O,c1c(cccc1)C(C(O)=O)COC(N)=O,"InChI=1S/C10H11NO4/c11-10(14)15-6-8(9(12)13)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,14)(H,12,13)",AYRIVCKWIAUVOO-UHFFFAOYSA-N
BMGC_DG06999,BMG_DG133554,CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=NC(=CC=C3)C(=O)O)OCC,n1c(csc1-c2cc(OCC)c(OCC)cc2)-c3nc(C(=O)O)ccc3,"InChI=1S/C19H18N2O4S/c1-3-24-16-9-8-12(10-17(16)25-4-2)18-21-15(11-26-18)13-6-5-7-14(20-13)19(22)23/h5-11H,3-4H2,1-2H3,(H,22,23)",XDBHURGONHZNJF-UHFFFAOYSA-N
BMGC_DG07000,BMG_DG133566,,c1(nc(nc2nc[nH]c12)N)OCc3cc(cs3)Br,,JUJPKFNFCWJBCX-UHFFFAOYSA-N
BMGC_DG07001,BMG_DG133568,CC1=NC(=CC=C1)C#CC2=CC=CC=C2,c1(cccc(n1)C#Cc2ccccc2)C,"InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3",NEWKHUASLBMWRE-UHFFFAOYSA-N
BMGC_DG07002,BMG_DG133580,CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCNCC3,N1CCC(CC1)C(=O)Nc2sc(cn2)SCc3oc(cn3)C(C)(C)C,"InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)",OUSFTKFNBAZUKL-UHFFFAOYSA-N
BMGC_DG07003,BMG_DG133586,CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,c1(c(C(=O)OCCCC)cccc1)C(=O)OCCCC,"InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3",DOIRQSBPFJWKBE-UHFFFAOYSA-N
BMGC_DG07004,BMG_DG133588,,C[N+](C)(C)c1cccc(c1)[N+](=O)[O-],,XWUIDCOCPBPGFY-UHFFFAOYSA-N
BMGC_DG07005,BMG_DG133596,[Li],[Li],InChI=1S/Li,WHXSMMKQMYFTQS-UHFFFAOYSA-N
BMGC_DG07006,BMG_DG133623,,CC(C(=O)c1cccc(c1)Br)NC(C)(C)C,,GIDJZDYNVHMFAH-UHFFFAOYSA-N
BMGC_DG07007,BMG_DG133626,,CC(C(=O)c1ccc(cc1)Cl)NC(C)(C)C,,IELBAACIVCODPI-UHFFFAOYSA-N
BMGC_DG07008,BMG_DG133629,,C1Cc2ccc(cc2C1)Nc3[nH]c4c(c(=O)n3)[nH]cn4,,NEGTVXJJUKTMCG-UHFFFAOYSA-N
BMGC_DG07009,BMG_DG133642,C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl,,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1",DCOPUUMXTXDBNB-UHFFFAOYSA-M
BMGC_DG07010,BMG_DG133646,CCCC(C)C1(C(=O)NC(=S)NC1=O)CC=C,C1(C(C(=O)NC(N1)=S)(C(CCC)C)CC=C)=O,"InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)",XLOMZPUITCYLMJ-UHFFFAOYSA-N
BMGC_DG07011,BMG_DG133654,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O,c12c(C(=O)c3c(C1=O)cccc3OC)c(O)c4c(c2O)C[C@](C[C@@]4(O[C@@H]5O[C@@H](C)[C@H]([C@H](C5)N)O)[H])(C(=O)C)O,"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1",STQGQHZAVUOBTE-VGBVRHCVSA-N
BMGC_DG07012,BMG_DG133685,C12=C(NC(=O)N1)NC(=O)NC2=S,c12c(c(=S)[nH]c([nH]1)=O)[nH]c([nH]2)=O,"InChI=1S/C5H4N4O2S/c10-4-6-1-2(7-4)8-5(11)9-3(1)12/h(H4,6,7,8,9,10,11,12)",SXHQUGJSTGOXMD-UHFFFAOYSA-N
BMGC_DG07013,BMG_DG133722,C(C1C(C(C(C(O1)[S-])O)O)O)O.[Au+],,"InChI=1S/C6H12O5S.Au/c7-1-2-3(8)4(9)5(10)6(12)11-2;/h2-10,12H,1H2;/q;+1/p-1",XHVAWZZCDCWGBK-UHFFFAOYSA-M
BMGC_DG07014,BMG_DG133723,C(CNC(=S)[S-])NC(=S)[S-].[Mn+2],[S-]C(NCCNC([S-])=S)=S.[Mn+2],"InChI=1S/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2",YKSNLCVSTHTHJA-UHFFFAOYSA-L
BMGC_DG07015,BMG_DG133724,,C(=C(/c1ccccc1)\CC)(\c2ccc(OCCN(C)C)cc2)/c3ccccc3,,NKANXQFJJICGDU-OCEACIFDSA-N
BMGC_DG07016,BMG_DG133743,CCCC[Sn](CCCC)CCCC,C([SnH](CCCC)CCCC)CCC,"InChI=1S/3C4H9.Sn/c3*1-3-4-2;/h3*1,3-4H2,2H3;",PIILXFBHQILWPS-UHFFFAOYSA-N;DBGVGMSCBYYSLD-UHFFFAOYSA-N
BMGC_DG07017,BMG_DG133748,CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(/CCOP(=O)(O)O)\SC(=O)C2=CC=CC=C2)/C,,"InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/b17-13-",BTNNPSLJPBRMLZ-LGMDPLHJSA-N
BMGC_DG07018,BMG_DG133762,C(C[C@@H](C(=O)O)N)[C@H](CN)O,OC(=O)[C@H](CC[C@@H](O)CN)N,"InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1",YSMODUONRAFBET-UHNVWZDZSA-N
BMGC_DG07019,BMG_DG133772,CNC(=S)NCCCCC1=CN=CN1,c1ncc(CCCCNC(NC)=S)[nH]1,"InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)",HXRBAVXGYZUSED-UHFFFAOYSA-N
BMGC_DG07020,BMG_DG133782,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,N(c1c(Cl)cccc1Cl)c2c(CC(O)=O)cccc2,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",DCOPUUMXTXDBNB-UHFFFAOYSA-N
BMGC_DG07021,BMG_DG133785,C[C@]12CCCCC[C@H]([C@@H]1N)CC3=C2C=C(C=C3)O,[C@]12(c3c(ccc(c3)O)C[C@@]([C@@H]1N)(CCCCC2)[H])C,"InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1",VTMVHDZWSFQSQP-VBNZEHGJSA-N
BMGC_DG07022,BMG_DG133803,CC1=CC=CC=C1N2CCN(CC2)CCC3=NN=C4N3CCCC4,n12c(nnc1CCCC2)CCN3CCN(CC3)c4c(C)cccc4,"InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3",RFWZESUMWJKKRN-UHFFFAOYSA-N
BMGC_DG07023,BMG_DG133807,,c12c([nH]c(o1)=S)c(ccc2)O,,VNDCJUYCWFLPPM-UHFFFAOYSA-N
BMGC_DG07024,BMG_DG133811,C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCC#N)O)F,N1(C(C(N=C(c2c1ccc(c2)Cl)c3c(cccc3)F)O)=O)CCC#N,"InChI=1S/C18H13ClFN3O2/c19-11-6-7-15-13(10-11)16(12-4-1-2-5-14(12)20)22-17(24)18(25)23(15)9-3-8-21/h1-2,4-7,10,17,24H,3,9H2",XAXMYHMKTCNRRZ-UHFFFAOYSA-N
BMGC_DG07025,BMG_DG133816,CN/C(=C\[N+](=O)[O-])/NCCSCC1=CSC(=N1)CN(C)C,,"InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3/b11-6+",SGXXNSQHWDMGGP-IZZDOVSWSA-N
BMGC_DG07026,BMG_DG133822,C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=S,[nH]1c(n(c(c2ccccc12)=O)CCN3CCC(CC3)C(c4ccc(cc4)F)=O)=S,"InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)",SMYALUSCZJXWHG-UHFFFAOYSA-N
BMGC_DG07027,BMG_DG133825,C[C@@H](C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2)N[C@@H](CCC3=CC=CC=C3)C(=O)O,N1(C([C@@H](N[C@H](C(=O)O)CCc2ccccc2)C)=O)[C@@H](CC3(C1)SCCS3)C(=O)O,"InChI=1S/C20H26N2O5S2/c1-13(21-15(18(24)25)8-7-14-5-3-2-4-6-14)17(23)22-12-20(28-9-10-29-20)11-16(22)19(26)27/h2-6,13,15-16,21H,7-12H2,1H3,(H,24,25)(H,26,27)/t13-,15-,16-/m0/s1",FMMDBLMCSDRUPA-BPUTZDHNSA-N
BMGC_DG07028,BMG_DG133837,CCN1CCC[C@H]1CNC(=O)C2=C(C(=CC(=C2OC)Cl)Cl)O,c1(c(c(Cl)cc(c1OC)Cl)O)C(NC[C@H]2N(CCC2)CC)=O,"InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1",WAOQONBSWFLFPE-VIFPVBQESA-N
BMGC_DG07029,BMG_DG133840,C1[C@@H]2CC(C[C@H]3N2CC(=O)C1C3)OC(=O)C4=CNC5=CC=CC=C54,c1(C(O[C@@H]2C[C@]3(N4[C@@H](C2)C[C@H](C(C4)=O)C3)[H])=O)c[nH]c5c1cccc5,"InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11?,12-,13+,14?",UKTAZPQNNNJVKR-YXSUXZIUSA-N;UKTAZPQNNNJVKR-AKJUYKBHSA-N
BMGC_DG07030,BMG_DG133842,,c12n(cnc1-c3nc(C4CC4)on3)c5c(cccc5)n(c2=O)C(C)C,,ZGEGOFCLSWVVKG-UHFFFAOYSA-N
BMGC_DG07031,BMG_DG133844,C[C@@H]1CC(=O)NN=C1C2=CC=C(C=C2)NN=C(C#N)C#N,N1=C([C@H](C)CC(N1)=O)c2ccc(NN=C(C#N)C#N)cc2,"InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1",WHXMKTBCFHIYNQ-SECBINFHSA-N
BMGC_DG07032,BMG_DG133857,CN1CCN(CC1)/C=C\2/C(=O)N3C(=N2)CN=C(C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5Cl,N12c3c(C(c4c(cccc4)Cl)=NCC1=N\C(\C2=O)=C/N5CCN(C)CC5)cc([N+](=O)[O-])cc3,"InChI=1S/C23H21ClN6O3/c1-27-8-10-28(11-9-27)14-19-23(31)29-20-7-6-15(30(32)33)12-17(20)22(25-13-21(29)26-19)16-4-2-3-5-18(16)24/h2-7,12,14H,8-11,13H2,1H3/b19-14-",UTEFBSAVJNEPTR-RGEXLXHISA-N
BMGC_DG07033,BMG_DG133870,CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCC[N+](C)(C)[O-])/C3=CC=CC=C3,,"InChI=1S/C26H29NO2/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)29-20-19-27(2,3)28/h5-18H,4,19-20H2,1-3H3/b26-25-",YAASNACECBQAFW-QPLCGJKRSA-N
BMGC_DG07034,BMG_DG133878,CN(C)CC1=CC=C(O1)CSCCN/C(=C\[N+](=O)[O-])/NCC2=CC3=C(C=C2)OCO3,,"InChI=1S/C20H26N4O5S/c1-23(2)11-16-4-5-17(29-16)13-30-8-7-21-20(12-24(25)26)22-10-15-3-6-18-19(9-15)28-14-27-18/h3-6,9,12,21-22H,7-8,10-11,13-14H2,1-2H3/b20-12+",HXRSXEDVVARPHP-UDWIEESQSA-N
BMGC_DG07035,BMG_DG133885,CCCS(=O)CCCN(CC)CC(COC1=CC=C(C=C1)C#N)O,,"InChI=1S/C18H28N2O3S/c1-3-11-24(22)12-5-10-20(4-2)14-17(21)15-23-18-8-6-16(13-19)7-9-18/h6-9,17,21H,3-5,10-12,14-15H2,1-2H3",ZMHOBBKJBYLXFR-UHFFFAOYSA-N
BMGC_DG07036,BMG_DG133890,CC[C@]12CC[C@H]3[C@H]([C@@H]1C=C[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34,[C@]12([C@]([C@]3([C@]([C@@]4(C(=CC(=O)CC4)CC3)[H])([H])CC1)[H])(C=C[C@]2(C#C)O)[H])CC,"InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1",SIGSPDASOTUPFS-XUDSTZEESA-N
BMGC_DG07037,BMG_DG133899,C/C(=C(\C1=C(C=C(C=C1)Cl)Cl)/OCCOC2=CC=C(C=C2)Cl)/N3C=CN=C3,C(\c1c(cc(cc1)Cl)Cl)(=C(/n2cncc2)\C)/OCCOc3ccc(cc3)Cl,"InChI=1S/C20H17Cl3N2O2/c1-14(25-9-8-24-13-25)20(18-7-4-16(22)12-19(18)23)27-11-10-26-17-5-2-15(21)3-6-17/h2-9,12-13H,10-11H2,1H3/b20-14-",JMFOSJNGKJCTMJ-ZHZULCJRSA-N
BMGC_DG07038,BMG_DG133910,CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,C([C@@H](NC=O)CC(C)C)(=O)O[C@@H](CCCCCCCCCCC)C[C@@H]1OC([C@H]1CCCCCC)=O,"InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1",AHLBNYSZXLDEJQ-FWEHEUNISA-N
BMGC_DG07039,BMG_DG133911,CC/C(=C(/C1=CC=C(C=C1)OCCN2CCCC2)\C3=CC=C(C=C3)I)/C4=CC=CC=C4,C(=C(/c1ccccc1)\CC)(\c2ccc(cc2)I)/c3ccc(cc3)OCCN4CCCC4,"InChI=1S/C28H30INO/c1-2-27(22-8-4-3-5-9-22)28(23-10-14-25(29)15-11-23)24-12-16-26(17-13-24)31-21-20-30-18-6-7-19-30/h3-5,8-17H,2,6-7,18-21H2,1H3/b28-27-",JJKOTMDDZAJTGQ-DQSJHHFOSA-N
BMGC_DG07040,BMG_DG133912,C1=CC(=C(C=C1Cl)Cl)/C(=C/N2C=NC=N2)/Cl,n1(cncn1)/C=C(\Cl)/c2c(Cl)cc(cc2)Cl,InChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H/b10-4-,XGLHZTBDUXXHOM-WMZJFQQLSA-N
BMGC_DG07041,BMG_DG133917,C1=CC(=CC=C1CN)S(=O)(=O)N.C1=CC(=CC=C1N)S(=O)(=O)NC(=S)N,O=S(NC(=S)N)(=O)c1ccc(cc1)N.O=S(=O)(c1ccc(cc1)CN)N,"InChI=1S/C7H9N3O2S2.C7H10N2O2S/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13;8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,8H2,(H3,9,10,13);1-4H,5,8H2,(H2,9,10,11)",ZLYHTQKHXIVMLY-UHFFFAOYSA-N
BMGC_DG07042,BMG_DG133924,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O,[N@]12[C@]([C@@H](c3c4c(ccc(c4)OC)ncc3)O)(C[C@H](CC1)[C@H](C2)C=C)[H],"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1",LOUPRKONTZGTKE-WZBLMQSHSA-N
BMGC_DG07043,BMG_DG133927,CN1[C@@H]2CC[C@H]1CC(=C3C4=CC=CC=C4CSC5=CC=CC=C53)C2,c1ccc2c(C(c3ccccc3SC2)=C4C[C@H]5N([C@@H](C4)CC5)C)c1,"InChI=1S/C22H23NS/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22/h2-9,17-18H,10-14H2,1H3/t17-,18+",JOQKFRLFXDPXHX-HDICACEKSA-N;JOQKFRLFXDPXHX-YFUWWQDYSA-N
BMGC_DG07044,BMG_DG133928,,C(O)(=O)[C@H]1N(C(=O)[C@H](C)CS)C[C@@H](Sc2ccccc2)C1,,UQWLOWFDKAFKAP-WXHSDQCUSA-N
BMGC_DG07045,BMG_DG133936,,C[C@]12[C@]3([C@]4(C[C@H](CC3)C(=C)C4)CC[C@@]1([C@@](C(O)=O)(C)CCC2)[H])[H],,NIKHGUQULKYIGE-MHHCCDILSA-N
BMGC_DG07046,BMG_DG133987,CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC,N#Cc1ccccc1Oc2ncnc(Oc3ccccc3/C(/C(=O)OC)=C\OC)c2,"InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+",WFDXOXNFNRHQEC-GHRIWEEISA-N
BMGC_DG07047,BMG_DG133997,,OC[C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O,,FZHXIRIBWMQPQF-SLPGGIOYSA-N
BMGC_DG07048,BMG_DG134005,C1=NC(=S)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,OP(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2c3c(c([nH]cn3)=S)nc2)(=O)O,"InChI=1S/C10H13N4O7PS/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)23/h2-4,6-7,10,15-16H,1H2,(H,11,12,23)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1",ZKRFOXLVOKTUTA-KQYNXXCUSA-N
BMGC_DG07049,BMG_DG134008,CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC,c12c(c3c(OC)cccc3[nH]1)CCN4[C@]2(C[C@H](/C(/C(=O)OC)=C\OC)[C@H](CC)C4)[H],"InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1",LELBFTMXCIIKKX-QVRQZEMUSA-N
BMGC_DG07050,BMG_DG134045,,c12c(c(n(C)c(n1C)=O)=S)nc([nH]2)SC,,KBRBLIPQXNCIFS-UHFFFAOYSA-N
BMGC_DG07051,BMG_DG134070,,c12c(c(n(C)c(n1C)=O)=S)nc([nH]2)SCCN3CCCC3,,KLAIFKHPSDRWRR-UHFFFAOYSA-N
BMGC_DG07052,BMG_DG134096,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=NC2=S)N,P(=O)(O)(O)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2c3c(c(nc([nH]3)N)=S)nc2,"InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(24)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-21-23(18,19)20/h2-3,5-6,9,16-17H,1H2,(H2,18,19,20)(H3,11,13,14,24)/t3-,5-,6-,9-/m1/s1",BPZXYEUJBFHASJ-UUOKFMHZSA-N
BMGC_DG07053,BMG_DG134102,C[C@@H]([C@H]([C@H]([C@@H](C=O)O)O)O)O,C[C@@H]([C@H]([C@H]([C@@H](C=O)O)O)O)O,"InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6-/m0/s1",PNNNRSAQSRJVSB-KCDKBNATSA-N
BMGC_DG07054,BMG_DG134114,CC(=O)C1=CCC[C@@H]2CC[C@H]1N2,C(C)(C=1[C@]2(CC[C@@](CCC1)(N2)[H])[H])=O,"InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m1/s1",SGNXVBOIDPPRJJ-PSASIEDQSA-N
BMGC_DG07055,BMG_DG134118,C[C@@H](CC1=CC=C(C=C1)OC)NC[C@H](C2=CC(=C(C=C2)O)NC=O)O,,"InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m0/s1",BPZSYCZIITTYBL-ORAYPTAESA-N
BMGC_DG07056,BMG_DG134128,,,,
BMGC_DG07057,BMG_DG134134,CC[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC4=COC=C4)CC)C=C(C=C3)O,,"InChI=1S/C21H27NO2/c1-3-18-20-11-16-5-6-17(23)12-19(16)21(18,4-2)8-9-22(20)13-15-7-10-24-14-15/h5-7,10,12,14,18,20,23H,3-4,8-9,11,13H2,1-2H3/t18-,20+,21+/m0/s1",HEYXXBUDMDVUNQ-CEWLAPEOSA-N
BMGC_DG07058,BMG_DG134147,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CO)O)C)C,C[C@]12[C@](C(CO)=O)(O)[C@H](C)C[C@]2([C@]3(C([C@@]4(C(CC3)=CC(=O)C=C4)C)=CC1)[H])[H],"InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16-,18+,20+,21+,22+/m1/s1",ZYTXTXAMMDTYDQ-DGEXFFLYSA-N
BMGC_DG07059,BMG_DG134149,,c1(c2c(c3c(o1)c4c(cc3OC)O[C@@]5([C@]4([C@H]([C@@H](O5)O)O)[H])[H])CCC2=O)=O,,JRZBEIPOZPNWID-KFZJALRRSA-N
BMGC_DG07060,BMG_DG134151,CC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)O[C@H]5C[C@@H]([C@@H](CO5)O)O)N,c1cc2c(cc1)C(=O)c3c(C2=O)c(O)c4C[C@@](C[C@@H](c4c3O)O[C@]5(C[C@@H]([C@@H](CO5)O)O)[H])(N)C(=O)C,"InChI=1S/C25H25NO9/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3/t14-,15+,16-,17-,25-/m0/s1",VJZITPJGSQKZMX-XDPRQOKASA-N
BMGC_DG07061,BMG_DG134153,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,C1[C@H](C[C@@]2([C@](C1)([C@@]3([C@@](CC2)([C@]4([C@]([C@H](C3)O)([C@](CC4)([C@H](C)CCC(=O)NCC(=O)O)[H])C)[H])[H])[H])C)[H])O,"InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1",WVULKSPCQVQLCU-BUXLTGKBSA-N
BMGC_DG07062,BMG_DG134172,,c1cc(ccc1OCCN(C)C)/C(=C(/CCCl)\c2ccccc2)/c3ccc(cc3)O,,OIUCUUXSMIJSEB-QPLCGJKRSA-N
BMGC_DG07063,BMG_DG134178,CSC(=S)NCC1=CNC2=CC=CC=C21,c1cc2c(c[nH]c2cc1)CNC(=S)SC,"InChI=1S/C11H12N2S2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)",QYKQWFZDEDFELK-UHFFFAOYSA-N
BMGC_DG07064,BMG_DG134200,CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O,,"InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34?,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1",JYIKNQVWKBUSNH-QWDBRQCVSA-N
BMGC_DG07065,BMG_DG134205,CC(C)C[C@H]1C(=O)N2[C@H](N1)[C@@](C3=CC=CC=C32)(C[C@H]4C5=NC6=CC=CC=C6C(=O)N5C7=CC=CC=C7C(=O)N4)O,n-12c([C@@H](NC(c3c1cccc3)=O)C[C@]4([C@@]5(N(c6ccccc46)C([C@@H](N5)CC(C)C)=O)[H])O)nc7ccccc7c2=O,"InChI=1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30-,31-/m0/s1",MGMRIOLWEROPJY-FPACPZPDSA-N
BMGC_DG07066,BMG_DG134208,CCOC(=O)COC1=CC2=C(CC[C@@H](C2)NC[C@@H](C3=CC(=CC=C3)Cl)O)C=C1,c12c(ccc(c1)OCC(=O)OCC)CC[C@H](NC[C@@H](c3cc(Cl)ccc3)O)C2,"InChI=1S/C22H26ClNO4/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3/t19-,21-/m0/s1",RDJQCOBTKKAQAH-FPOVZHCZSA-N
BMGC_DG07067,BMG_DG134217,,N1C(c2c(/C(/CC1)=C/3\N=C(NC3=O)N)cc([nH]2)Br)=O,,ATBAETXFFCOZOY-DAXSKMNVSA-N
BMGC_DG07068,BMG_DG134224,C1=CC=C(C=C1)COC2=CC3=C(C=CC=N3)C=C2,,"InChI=1S/C16H13NO/c1-2-5-13(6-3-1)12-18-15-9-8-14-7-4-10-17-16(14)11-15/h1-11H,12H2",SIDLHXXVIBTSJZ-UHFFFAOYSA-N
BMGC_DG07069,BMG_DG134225,,C(CCCc1ccccc1)N2CCC(CC2)c3ccccc3,,HQGDPZPNAXRCSA-UHFFFAOYSA-N
BMGC_DG07070,BMG_DG134234,COC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC=C2)NC3=CC=C(C=C3)O,S(Nc1c(Nc2ccc(cc2)O)nccc1)(c3ccc(cc3)OC)(=O)=O,"InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)",URCVCIZFVQDVPM-UHFFFAOYSA-N
BMGC_DG07071,BMG_DG134235,C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I,[nH]1cnc(c1)CCCSC(=N)NCCc2ccc(cc2)I,"InChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)",UBHYDQAARZKHEZ-UHFFFAOYSA-N
BMGC_DG07072,BMG_DG134236,,c12c(c3ccccc3sc1c(CNS(C)(=O)=O)ccc2NCCN(CC)CC)=O,,NAMOLZVVTPNNTE-UHFFFAOYSA-N
BMGC_DG07073,BMG_DG134238,C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)O,C[C@@]12O[C@](n3c4c(c5C(=O)NCc5c6c4n1c7c6cccc7)c8c3cccc8)([H])C[C@]2(O)C(OC)=O,"InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m1/s1",KOZFSFOOLUUIGY-SOLYNIJKSA-N
BMGC_DG07074,BMG_DG134240,,C1CNCCC1Cc2cnc[nH]2,,MCNGUYXRBCIGOV-UHFFFAOYSA-N
BMGC_DG07075,BMG_DG134242,CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC(=CC=C4)I)O)O,n1(c2nc(nc(NCc3cc(ccc3)I)c2nc1)Cl)[C@H]4[C@@H]([C@@H]([C@H](O4)C(NC)=O)O)O,"InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1",IPSYPUKKXMNCNQ-PFHKOEEOSA-N
BMGC_DG07076,BMG_DG134245,C1CCC(CC1)NC(=S)N2CCC(CC2)C3=CN=CN3,N1(CCC(CC1)c2nc[nH]c2)C(NC3CCCCC3)=S,"InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)",QKDDJDBFONZGBW-UHFFFAOYSA-N
BMGC_DG07077,BMG_DG134249,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl,C(Cl)(Cl)(Cl)C(c1ccc(cc1)Cl)c2ccc(cc2)Cl,"InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H",YVGGHNCTFXOJCH-UHFFFAOYSA-N
BMGC_DG07078,BMG_DG134255,,c1c(cc(cn1)[C@H]2N(CCC2)C)C#C,,NUPUDYKEEJNZRG-LBPRGKRZSA-N
BMGC_DG07079,BMG_DG134256,CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN)/C3=CC=CC=C3,C(=C(/CC)\c1ccccc1)(\c2ccc(OCCN)cc2)/c3ccccc3,"InChI=1S/C24H25NO/c1-2-23(19-9-5-3-6-10-19)24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)26-18-17-25/h3-16H,2,17-18,25H2,1H3/b24-23-",MCJKBWHDNUSJLW-VHXPQNKSSA-N
BMGC_DG07080,BMG_DG134259,,c12c([C@@]3([C@@H]([C@H](C1)N(CC3)CC=C)C)C)cc(cc2)O,,LGQCVMYAEFTEFN-DQYPLSBCSA-N
BMGC_DG07081,BMG_DG134276,CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl,c1(c(Cl)cc(cc1)CC(=O)N(C)[C@H]2[C@@H](CCCC2)N3CCCC3)Cl,"InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1",VQLPLYSROCPWFF-QZTJIDSGSA-N
BMGC_DG07082,BMG_DG134289,C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\C3=CC=C(C=C3)OCCO)/CCCl,C(COc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccccc3)O,"InChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-",LUMKNAVTFCDUIE-VHXPQNKSSA-N
BMGC_DG07083,BMG_DG134298,CC(/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3)O,C(=C(/C(C)O)\c1ccccc1)(\c2ccc(OCCN(C)C)cc2)/c3ccccc3,"InChI=1S/C26H29NO2/c1-20(28)25(21-10-6-4-7-11-21)26(22-12-8-5-9-13-22)23-14-16-24(17-15-23)29-19-18-27(2)3/h4-17,20,28H,18-19H2,1-3H3/b26-25-",BPHFBQJMFWCHGH-QPLCGJKRSA-N
BMGC_DG07084,BMG_DG134307,C1CN(CCN1C[C@H](COC2=CC=CC3=C2C=CC=N3)O)C4C5=CC=CC=C5[C@H]6[C@H](C6(F)F)C7=CC=CC=C47,C1(F)(F)[C@@]2([H])[C@]1([H])c3ccccc3[C@H](N4CCN(CC4)C[C@H](COc5c6c(nccc6)ccc5)O)c7ccccc27,"InChI=1S/C32H31F2N3O2/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27/h1-14,21,29-31,38H,15-20H2/t21-,29-,30+,31?/m1/s1",IHOVFYSQUDPMCN-DBEBIPAYSA-N;IHOVFYSQUDPMCN-XAKVHENESA-N
BMGC_DG07085,BMG_DG134313,COC1=CC2=C(C=CN=C2C=C1)[C@@H](C3CC4CCN3CC4C=C)O,,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13?,14?,19?,20-/m0/s1",LOUPRKONTZGTKE-LHFMAAMQSA-N
BMGC_DG07086,BMG_DG134315,C1=CC2C(O2)C(=C1)Br,,"InChI=1S/C6H5BrO/c7-4-2-1-3-5-6(4)8-5/h1-3,5-6H",RLBVUCNBWFGERE-UHFFFAOYSA-N
BMGC_DG07087,BMG_DG134316,CN1C[C@@H]2[C@@H](C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24,,"InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1",VSWBSWWIRNCQIJ-GJZGRUSLSA-N
BMGC_DG07088,BMG_DG134319,,N1(CCc2c([C@H](C1)c3ccccc3)cc(c(c2)Cl)O)C,,GOTMKOSCLKVOGG-OAHLLOKOSA-N
BMGC_DG07089,BMG_DG134324,C1=C(NC(=O)NC1=O)C(=O)[O-].C1=C(NC(=O)NC1=O)C(=O)[O-].[Mg+2],c1(cc(=O)[nH]c([nH]1)=O)C([O-])=O.[Mg+2].c1(cc([nH]c([nH]1)=O)=O)C([O-])=O,"InChI=1S/2C5H4N2O4.Mg/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2",QWLHYYKDLOVBNV-UHFFFAOYSA-L
BMGC_DG07090,BMG_DG134327,C(C(Cl)(Cl)Cl)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O,O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)CC(Cl)(Cl)Cl,"InChI=1S/C8H11Cl3O7/c9-8(10,11)1-17-7-4(14)2(12)3(13)5(18-7)6(15)16/h2-5,7,12-14H,1H2,(H,15,16)/t2-,3-,4+,5-,7+/m0/s1",IQOASJJGUQMXDW-GHQVIJFQSA-N
BMGC_DG07091,BMG_DG134332,C1=NC(=S)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,,"InChI=1S/C10H15N4O13P3S/c15-6-4(1-24-29(20,21)27-30(22,23)26-28(17,18)19)25-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)31/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,22,23)(H,11,12,31)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1",GQNRDWAOABGWGP-KQYNXXCUSA-N
BMGC_DG07092,BMG_DG134333,,c12c(CCN3C[C@@H]([C@H](C[C@@]13[H])/C(/C(=O)OC)=C\OC)CC)c4c(cccc4[nH]2)O,,IIRZCWUQUBSIPF-ZZTFNPIZSA-N
BMGC_DG07093,BMG_DG134339,C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O,c1(Cc2c(ccc(c2)Cl)O)c(ccc(c1)Cl)O,"InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2",MDNWOSOZYLHTCG-UHFFFAOYSA-N
BMGC_DG07094,BMG_DG134344,C(CC(=O)[O-])CO,,"InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)/p-1",SJZRECIVHVDYJC-UHFFFAOYSA-M
BMGC_DG07095,BMG_DG134385,C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CNC)N)N)N)O,[C@@H]1(CNC)CC[C@@H](N)[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](NC)[C@](O)(C)CO3)[C@H](N)C[C@@H]2N)O1,"InChI=1S/C20H41N5O7/c1-20(28)8-29-19(14(27)17(20)25-3)32-16-12(23)6-11(22)15(13(16)26)31-18-10(21)5-4-9(30-18)7-24-2/h9-19,24-28H,4-8,21-23H2,1-3H3/t9-,10+,11-,12+,13-,14+,15+,16-,17+,18+,19+,20-/m0/s1",DNYGXMICFMACRA-XHEDQWPISA-N
BMGC_DG07096,BMG_DG134386,C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N)NC(=O)[C@H](CN)O)O,O([C@@]1([H])OC[C@@](O)(C)[C@H](NC)[C@H]1O)[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@]3([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CN)O3)N)NC(=O)[C@@H](O)CN,"InChI=1S/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-/m0/s1",UDIIBEDMEYAVNG-ZKFPOVNWSA-N
BMGC_DG07097,BMG_DG134391,CCCCCNC(=O)C1=COC(=N1)[C@@H]2[C@H]3CC[C@@H]([C@@H]2CC4=CC=CC=C4CCC(=O)O)O3,C1C[C@H]2O[C@@H]1[C@H](Cc3ccccc3CCC(O)=O)[C@@H]2c4occ(n4)C(NCCCCC)=O,"InChI=1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)/t18-,20-,21+,23-/m0/s1",BBPRUNPUJIUXSE-DXKRWKNPSA-N
BMGC_DG07098,BMG_DG134392,CCOC(=O)CCCCCCCCC(C)C1=CC=CC=C1I,C(=O)(OCC)CCCCCCCCC(c1ccccc1I)C,"InChI=1S/C19H29IO2/c1-3-22-19(21)15-9-7-5-4-6-8-12-16(2)17-13-10-11-14-18(17)20/h10-11,13-14,16H,3-9,12,15H2,1-2H3",IWRUDYQZPTVTPA-UHFFFAOYSA-N
BMGC_DG07099,BMG_DG134397,,c1c2onc(c2ccc1F)C3CCN(CC3)CCCOc4ccc5c(c4)occ(c5=O)CO,,ICAXEUYZCLRXKY-UHFFFAOYSA-N
BMGC_DG07100,BMG_DG134405,C([C@H]([C@@H]([C@@H]([C@H](C=O)O)O)O)O)O,C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6-/m0/s1",GZCGUPFRVQAUEE-KCDKBNATSA-N
BMGC_DG07101,BMG_DG134407,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O,[C@]1([C@@H]([C@H]([C@@H](O)[C@H](O1)CO)O)O)(O[C@@]([C@@H]([C@@H](O)C=O)O)([C@H](O)CO)[H])[H],"InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h1,4-12,14-21H,2-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1",DKXNBNKWCZZMJT-JVCRWLNRSA-N
BMGC_DG07102,BMG_DG134408,,[C@@H](CO)(O)[C@@]1(C=C2[C@@](CC1)([C@@]3(CC[C@H](C([C@]3(CC2)[H])(C)C)O)C)[H])C,,NCAZLDCEJHFJDT-KHKZNYETSA-N
BMGC_DG07103,BMG_DG134410,COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(CCCC3=CN=CC=C3)CCCC4=CN=CC=C4,N1([C@@H](CCCC1)C(=O)OC(CCCc2cnccc2)CCCc3cnccc3)C(=O)C(c4cc(c(c(c4)OC)OC)OC)=O,"InChI=1S/C34H41N3O7/c1-41-29-20-26(21-30(42-2)32(29)43-3)31(38)33(39)37-19-5-4-16-28(37)34(40)44-27(14-6-10-24-12-8-17-35-22-24)15-7-11-25-13-9-18-36-23-25/h8-9,12-13,17-18,20-23,27-28H,4-7,10-11,14-16,19H2,1-3H3/t28-/m0/s1",CGVWPQOFHSAKRR-NDEPHWFRSA-N
BMGC_DG07104,BMG_DG134412,,O(c1c2c3c([nH]c2ccc1)[C@]4(N(C[C@@H]([C@H](C4)/C(/C(OC)=O)=C\OC)C=C)CC3)[H])C,,JGZKIGWXPPFMRG-CYSPOEIOSA-N
BMGC_DG07105,BMG_DG134413,CC1=CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C)C,[C@]12([C@@]3([C@]([C@@]4(CC[C@@H]([C@]4(CC3)C)O)[H])(CC[C@]1(CC(=O)C=C2C)[H])[H])[H])C,"InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10,13,15-18,22H,4-9,11H2,1-3H3/t13-,15-,16-,17-,18-,19-,20-/m0/s1",ANJQEDFWRSLVBR-VHUDCFPWSA-N
BMGC_DG07106,BMG_DG134419,CC1=NC(=S)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,,"InChI=1S/C11H15N4O7PS/c1-4-13-9-6(10(24)14-4)12-3-15(9)11-8(17)7(16)5(22-11)2-21-23(18,19)20/h3,5,7-8,11,16-17H,2H2,1H3,(H,13,14,24)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1",JZBDJXVVRLSRDO-IOSLPCCCSA-N
BMGC_DG07107,BMG_DG134420,,C(=C/OC)(\C(=O)OC)/[C@@H]1[C@H](CN2CCc3c4ccccc4[nH]c3[C@@]2([H])C1)CC,,NMLUOJBSAYAYEM-AZQGJTAVSA-N
BMGC_DG07108,BMG_DG134421,C[C@H]1[C@@H]2CC3=C([C@@]1(CCN2C)C)C=C(C=C3)O,,"InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3/t10-,14-,15+/m0/s1",YGSVZRIZCHZUHB-NZVBXONLSA-N
BMGC_DG07109,BMG_DG134422,CC1=CC2=C(C[C@H]3[C@@H]4[C@]2(CCCC4)CCN3C)C=C1,c1cc(cc2c1C[C@@H]3N(CC[C@@]42CCCC[C@]34[H])C)C,"InChI=1S/C18H25N/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3/t15-,17+,18+/m1/s1",KBEZZLAAKIIPFK-NJAFHUGGSA-N
BMGC_DG07110,BMG_DG134424,,C[C@]12c3c(C[C@H]([C@@H]1C)N(CC2)CC4CC4)ccc(c3)O,,YQYVFVRQLZMJKJ-JBBXEZCESA-N
BMGC_DG07111,BMG_DG134432,,C/1(\NC([C@@H](NC([C@@H](NC(=O)[C@H](CNC([C@@](NC1=O)([C@@]2(N=C(N[C@H](C2)O)N)[H])[H])=O)NC(C[C@@H](N)CCCN)=O)CO)=O)CO)=O)=C\NC(=O)N,,GXFAIFRPOKBQRV-GHXCTMGLSA-N
BMGC_DG07112,BMG_DG134436,C1=C(C=C(C(=C1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N,c1c(cc(c(c1Cl)Cl)S(=O)(=O)N)S(=O)(=O)N,"InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)",GJQPMPFPNINLKP-UHFFFAOYSA-N
BMGC_DG07113,BMG_DG134476,COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4C=C3,c1c(ccc2ccccc12)C(=O)NCCCCN3CCN(CC3)c4c(cccc4)OC,"InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)",MNHDKMDLOJSCGN-UHFFFAOYSA-N
BMGC_DG07114,BMG_DG134477,CC(C)C1=C(C(=CC=C1)C(C)C)OCOP(=O)([O-])[O-].[Na+].[Na+],P(OCOc1c(C(C)C)cccc1C(C)C)([O-])([O-])=O.[Na+].[Na+],"InChI=1S/C13H21O5P.2Na/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16;;/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16);;/q;2*+1/p-2",LWYLQNWMSGFCOZ-UHFFFAOYSA-L
BMGC_DG07115,BMG_DG134478,CC(C)C1=C(C(=CC=C1)C(C)C)OCOP(=O)(O)O,P(OCOc1c(C(C)C)cccc1C(C)C)(O)(O)=O,"InChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16)",QVNNONOFASOXQV-UHFFFAOYSA-N
BMGC_DG07116,BMG_DG134480,C1=CC(=CN=C1)[C@H](CNCCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=NC(=CS4)C5=CC=C(C=C5)C(F)(F)F)O,c1(ccc(cc1)-c2scc(n2)-c3ccc(cc3)C(F)(F)F)S(=O)(=O)Nc4ccc(cc4)CCNC[C@@H](c5cnccc5)O,"InChI=1S/C31H27F3N4O3S2/c32-31(33,34)25-9-5-22(6-10-25)28-20-42-30(37-28)23-7-13-27(14-8-23)43(40,41)38-26-11-3-21(4-12-26)15-17-36-19-29(39)24-2-1-16-35-18-24/h1-14,16,18,20,29,36,38-39H,15,17,19H2/t29-/m0/s1",MSOUIIHPMJCUNI-LJAQVGFWSA-N
BMGC_DG07117,BMG_DG134484,CCOC(=O)[C@H](CCC1=CC=CC=C1)CC2(CCCC2)C(=O)N[C@H]3CCC4=CC=CC=C4N(C3=O)CC(=O)O,N1(C([C@H](CCc2c1cccc2)NC(=O)C3(CCCC3)C[C@@H](CCc4ccccc4)C(=O)OCC)=O)CC(=O)O,"InChI=1S/C31H38N2O6/c1-2-39-29(37)24(15-14-22-10-4-3-5-11-22)20-31(18-8-9-19-31)30(38)32-25-17-16-23-12-6-7-13-26(23)33(28(25)36)21-27(34)35/h3-7,10-13,24-25H,2,8-9,14-21H2,1H3,(H,32,38)(H,34,35)/t24-,25+/m1/s1",XMQODGUTLZXUGZ-RPBOFIJWSA-N
BMGC_DG07118,BMG_DG134485,CC(C)NC(=O)C[C@H]1CCCN(C2=CC=CC=C12)C(=O)C3=C(C=C(C=C3)N4CCCC4)Cl,N1(CCC[C@@H](c2c1cccc2)CC(=O)NC(C)C)C(c3c(cc(cc3)N4CCCC4)Cl)=O,"InChI=1S/C26H32ClN3O2/c1-18(2)28-25(31)16-19-8-7-15-30(24-10-4-3-9-21(19)24)26(32)22-12-11-20(17-23(22)27)29-13-5-6-14-29/h3-4,9-12,17-19H,5-8,13-16H2,1-2H3,(H,28,31)/t19-/m1/s1",INGXCNVWWKKWOO-LJQANCHMSA-N
BMGC_DG07119,BMG_DG134487,CN(CC1=CC=CC=C1)CC2=C(SC3=C2C(=O)N(C(=O)N3CC4=C(C=CC=C4F)F)C5=CC=CC=C5)C6=CC=C(C=C6)NC(=O)NOC,n1(c2c(c(CN(Cc3ccccc3)C)c(s2)-c4ccc(NC(=O)NOC)cc4)c(n(c1=O)-c5ccccc5)=O)Cc6c(F)cccc6F,"InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)",UCQSBGOFELXYIN-UHFFFAOYSA-N
BMGC_DG07120,BMG_DG134490,CC(C)OC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5,N1(CCN(CC1)c2ncnc3cc(c(cc23)OC)OCCCN4CCCCC4)C(=O)Nc5ccc(cc5)OC(C)C,"InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)",UXXQOJXBIDBUAC-UHFFFAOYSA-N
BMGC_DG07121,BMG_DG134491,C1=CC(=C(C(=C1)Cl)C2=C3C=CC(=NN3C=NC2=O)SC4=C(C=C(C=C4)F)F)Cl,c1(c2n(nc(cc2)Sc3c(cc(cc3)F)F)cnc1=O)-c4c(Cl)cccc4Cl,InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H,VEPKQEUBKLEPRA-UHFFFAOYSA-N
BMGC_DG07122,BMG_DG134501,COP(=O)(OC)OC=C(Cl)Cl,C(=C(Cl)Cl)OP(=O)(OC)OC,"InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3",OEBRKCOSUFCWJD-UHFFFAOYSA-N
BMGC_DG07123,BMG_DG134514,,C=1(c2c(N(CCO)C(CN1)=O)ccc(c2)Cl)c3c(F)cccc3,,FOCBRQQHNOKOJQ-UHFFFAOYSA-N
BMGC_DG07124,BMG_DG134538,CCC(=O)N([C@H]1CCN(C[C@H]1C)CCC2=CC=CC=C2)C3=CC=CC=C3,N(c1ccccc1)(C(CC)=O)[C@@H]2[C@@H](CN(CCc3ccccc3)CC2)C,"InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19-,22+/m1/s1",MLQRZXNZHAOCHQ-KNQAVFIVSA-N
BMGC_DG07125,BMG_DG134554,CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2,C1(C(=O)OCCN(CC)CC)(C2CCCCC2)CCCCC1,"InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3",CURUTKGFNZGFSE-UHFFFAOYSA-N
BMGC_DG07126,BMG_DG134612,C1=CC(=C(C=C1C(=O)NO)O)O,c1(cc(c(O)cc1)O)C(NO)=O,"InChI=1S/C7H7NO4/c9-5-2-1-4(3-6(5)10)7(11)8-12/h1-3,9-10,12H,(H,8,11)",QJMCKEPOKRERLN-UHFFFAOYSA-N
BMGC_DG07127,BMG_DG134613,,C([C@H](C)N)n1c2c3c(oc(CC)c3)ccc2cn1,,QLOOWOVVZLBYHU-VIFPVBQESA-N
BMGC_DG07128,BMG_DG134614,,C([C@H](C)N)n1c2c(cc1)cc(F)c(Cl)c2,,XJJZQXUGLLXTHO-ZETCQYMHSA-N
BMGC_DG07129,BMG_DG134637,CC1=C(C(=O)N2C=CC=CC2=N1)CCN3CCC4=C(C3)C5=CC=CC=C5O4,n12c(c(CCN3Cc4c5c(cccc5)oc4CC3)c(nc1cccc2)C)=O,"InChI=1S/C22H21N3O2/c1-15-16(22(26)25-11-5-4-8-21(25)23-15)9-12-24-13-10-20-18(14-24)17-6-2-3-7-19(17)27-20/h2-8,11H,9-10,12-14H2,1H3",ZYXHQIPQIKTEDI-UHFFFAOYSA-N
BMGC_DG07130,BMG_DG134650,,O=c1cc(N2CCCC2)oc3c1ccc4ccccc43,,CYNBNMZZLAYOIM-UHFFFAOYSA-N
BMGC_DG07131,BMG_DG134657,C[C@H](CC1=CC2=C(C=C1)OCO2)N,N[C@@H](Cc1ccc2OCOc2c1)C,"InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m1/s1",NGBBVGZWCFBOGO-SSDOTTSWSA-N
BMGC_DG07132,BMG_DG134669,,n12c(c3cc(C)ccc3nc1ccc(c2)C(=O)O)=O,,JWAVEEBWRNQONY-UHFFFAOYSA-N
BMGC_DG07133,BMG_DG134672,,CC(C(=O)c1ccccc1)NC(C)(C)C,,JQNSRSIGKZYQAA-UHFFFAOYSA-N
BMGC_DG07134,BMG_DG134676,,N1=C(c2c3c(c(ccc13)N(Cc4ccc(cc4)S(=O)(=O)N5CCOCC5)C)ccc2)N,,CVEGTZWWWRJCFK-UHFFFAOYSA-N
BMGC_DG07135,BMG_DG134706,C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)NC(=O)C3=CC=CS3)O,s1c(ccc1)C(Nc2c(Br)cc(cc2CN[C@@H]3CC[C@H](CC3)O)Br)=O,"InChI=1S/C18H20Br2N2O2S/c19-12-8-11(10-21-13-3-5-14(23)6-4-13)17(15(20)9-12)22-18(24)16-2-1-7-25-16/h1-2,7-9,13-14,21,23H,3-6,10H2,(H,22,24)",SSLHKNBKUBAHJY-UHFFFAOYSA-N;SSLHKNBKUBAHJY-HDJSIYSDSA-N
BMGC_DG07136,BMG_DG134707,CC1(C(=O)CCC2=CC=CC=C21)CCN3CCCCC3,C1(C(CCc2ccccc12)=O)(CCN3CCCCC3)C,"InChI=1S/C18H25NO/c1-18(11-14-19-12-5-2-6-13-19)16-8-4-3-7-15(16)9-10-17(18)20/h3-4,7-8H,2,5-6,9-14H2,1H3",RVXGRCNWGOHSDE-UHFFFAOYSA-N
BMGC_DG07137,BMG_DG134722,,O1C(N(C[C@@H]1CN2CCC(CC2)(c3cc4c(cc3)OCO4)O)c5ccc(cc5)OC)=O,,NINYZUDVKTUKIA-IBGZPJMESA-N
BMGC_DG07138,BMG_DG134761,,CC(C)Cn1c(=O)c2[nH]cnc2n(CC(C)C)c1=O,,IPUAJXHKDUKOCH-UHFFFAOYSA-N
BMGC_DG07139,BMG_DG134762,C[C@H]1[C@@H](OCCN1C)C2=CC=CC=C2,N1([C@H]([C@H](c2ccccc2)OCC1)C)C,"InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1",MFOCDFTXLCYLKU-CMPLNLGQSA-N
BMGC_DG07140,BMG_DG134770,C[N+](C)(C)CCO,[N+](CCO)(C)(C)C,"InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1",OEYIOHPDSNJKLS-UHFFFAOYSA-N
BMGC_DG07141,BMG_DG134772,C[C@@H](CC1=CC2=C(C=C1)OCO2)N,N[C@H](Cc1ccc2OCOc2c1)C,"InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m0/s1",NGBBVGZWCFBOGO-ZETCQYMHSA-N
BMGC_DG07142,BMG_DG134796,CCN(CC)C(=O)N1CCN(CC1)C,C(N1CCN(C)CC1)(N(CC)CC)=O,"InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3",RCKMWOKWVGPNJF-UHFFFAOYSA-N
BMGC_DG07143,BMG_DG134799,C1=CC(=C(C(=C1)Cl)NC2=C(C=C(C=C2)O)CC(=O)O)Cl,c1(c(cc(O)cc1)CC(O)=O)Nc2c(cccc2Cl)Cl,"InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20)",VNQURRWYKFZKJZ-UHFFFAOYSA-N
BMGC_DG07144,BMG_DG134800,C1=CC(=C(C=C1O)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl,c1(c(ccc(c1)O)Nc2c(cc(cc2Cl)O)Cl)CC(O)=O,"InChI=1S/C14H11Cl2NO4/c15-10-5-9(19)6-11(16)14(10)17-12-2-1-8(18)3-7(12)4-13(20)21/h1-3,5-6,17-19H,4H2,(H,20,21)",DRZFITWJHHNHAD-UHFFFAOYSA-N
BMGC_DG07145,BMG_DG134802,COCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl,C(NC1CCN(CCCOC)CC1)(=O)c2c3c(c(N)c(Cl)c2)CCO3,"InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)",ZPMNHBXQOOVQJL-UHFFFAOYSA-N
BMGC_DG07146,BMG_DG134811,CS(=O)(=O)O.C#CCN[C@@H]1CCC2=CC=CC=C12,N(CC#C)[C@H]1c2c(CC1)cccc2.CS(O)(=O)=O,"InChI=1S/C12H13N.CH4O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-5(2,3)4/h1,3-6,12-13H,7-9H2;1H3,(H,2,3,4)/t12-;/m1./s1",JDBJJCWRXSVHOQ-UTONKHPSSA-N
BMGC_DG07147,BMG_DG134812,C#CCN[C@@H]1CCC2=CC=CC=C12,N(CC#C)[C@H]1c2c(CC1)cccc2,"InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1",RUOKEQAAGRXIBM-GFCCVEGCSA-N
BMGC_DG07148,BMG_DG134814,,COc1c(c(N)ccc1C(=O)N[C@@H]2CC[N@@]3CCC[C@H]2C3)Cl,,YFUAYKVMQVBSNG-JLOHTSLTSA-N
BMGC_DG07149,BMG_DG134818,C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O,C(=O)(CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O)O,"InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)",QPCDCPDFJACHGM-UHFFFAOYSA-N
BMGC_DG07150,BMG_DG134823,,,,
BMGC_DG07151,BMG_DG134825,CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,,"InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3",RGLYKWWBQGJZGM-UHFFFAOYSA-N
BMGC_DG07152,BMG_DG134826,CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C,C(c1ccc(cc1)N(C)C)(OCC(CC)CCCC)=O,"InChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3",WYWZRNAHINYAEF-UHFFFAOYSA-N
BMGC_DG07153,BMG_DG134836,,[C@]12(CCN([C@@H]([C@@H]1C)C(c3ccc(cc23)O)=O)CC4CC4)C,,HQBZLVPZOGIAIQ-SDDDUWNISA-N
BMGC_DG07154,BMG_DG134839,C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O,C(c1ccccc1)(c2ccccc2)(O)CCCN3CCCCC3,"InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2",OGAKLTJNUQRZJU-UHFFFAOYSA-N
BMGC_DG07155,BMG_DG134841,CN1C2=C(C=CC(=C2)OC)N=C1COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4,N1C(SC(C1=O)Cc2ccc(OCc3n(c4cc(OC)ccc4n3)C)cc2)=O,"InChI=1S/C20H19N3O4S/c1-23-16-10-14(26-2)7-8-15(16)21-18(23)11-27-13-5-3-12(4-6-13)9-17-19(24)22-20(25)28-17/h3-8,10,17H,9,11H2,1-2H3,(H,22,24,25)",XMSXOLDPMGMWTH-UHFFFAOYSA-N
BMGC_DG07156,BMG_DG134842,C1CC(C1)N([C@@H]2CC3=C(C=CC(=C3OC2)F)C(=O)N)C4CCC4,C1[C@@H](Cc2c(ccc(c2O1)F)C(=O)N)N(C3CCC3)C4CCC4,"InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)/t13-/m1/s1",MQTUXRKNJYPMCG-CYBMUJFWSA-N
BMGC_DG07157,BMG_DG134875,,c1c(c(Cl)sc1C(=O)O)Cl,,JDBAYLWBVQVMTD-UHFFFAOYSA-N
BMGC_DG07158,BMG_DG134912,,C(CCC)(=O)N(C)Cc1c(nc2ccccn21)-c3ccc(cc3)Cl,,LIFDPEORUVTOCP-UHFFFAOYSA-N
BMGC_DG07159,BMG_DG134916,C1=CC=C(C=C1)[C@H](CCN)OC2=CC=C(C=C2)C(F)(F)F,c1(ccccc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F,"InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1",WIQRCHMSJFFONW-HNNXBMFYSA-N
BMGC_DG07160,BMG_DG134918,COC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)F)F,n1n(c(-c2cc(F)c(cc2)OC)cc1C(F)F)-c3ccc(S(=O)(=O)N)cc3,"InChI=1S/C17H14F3N3O3S/c1-26-16-7-2-10(8-13(16)18)15-9-14(17(19)20)22-23(15)11-3-5-12(6-4-11)27(21,24)25/h2-9,17H,1H3,(H2,21,24,25)",WAZQAZKAZLXFMK-UHFFFAOYSA-N
BMGC_DG07161,BMG_DG134919,C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O,c1(cc(-c2c(cc(cc2)F)F)ccc1O)C(=O)O,"InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)",HUPFGZXOMWLGNK-UHFFFAOYSA-N
BMGC_DG07162,BMG_DG134946,,C1(N(C(C(c2ccccc12)C(=O)Nc3ccccc3)=O)C)=O,,CTHXOJIKZUVJHO-UHFFFAOYSA-N
BMGC_DG07163,BMG_DG134957,CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,N1(CC(=O)NC(C1)=O)C(CN2CC(=O)NC(C2)=O)C,"InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)",BMKDZUISNHGIBY-UHFFFAOYSA-N
BMGC_DG07164,BMG_DG134958,CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO,c1(ncc(C(Nc2c(cccc2C)Cl)=O)s1)Nc3nc(nc(N4CCN(CC4)CCO)c3)C,"InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)",ZBNZXTGUTAYRHI-UHFFFAOYSA-N
BMGC_DG07165,BMG_DG134965,,NC(SCCNC(N)=N)=N,,GSYGTVNTZHFQQH-UHFFFAOYSA-N
BMGC_DG07166,BMG_DG134977,,Oc1nccc2c(cccc12)S(=O)(=O)N3CCCNCC3,,ZAVGJDAFCZAWSZ-UHFFFAOYSA-N
BMGC_DG07167,BMG_DG134982,CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C,,"InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)",LUZRJRNZXALNLM-UHFFFAOYSA-N
BMGC_DG07168,BMG_DG134989,CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl,N1=C(NCC1)C(Oc2c(Cl)cccc2Cl)C,"InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)",KSMAGQUYOIHWFS-UHFFFAOYSA-N
BMGC_DG07169,BMG_DG134996,CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl.Cl,[H][C@@]12c3cc(c(cc3CCN2C[C@H](CC)[C@@H](C[C@@]4([H])NCCc5c4cc(c(OC)c5)OC)C1)OC)OC.Cl.Cl,"InChI=1S/C29H40N2O4.2ClH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;2*1H/t18-,21-,24+,25-;;/m0../s1",JROGBPMEKVAPEH-GXGBFOEMSA-N
BMGC_DG07170,BMG_DG135015,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)COC(=O)C)[H])NC(=O)CSc3ccncc3,"InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1",UQLLWWBDSUHNEB-CZUORRHYSA-N
BMGC_DG07171,BMG_DG135041,C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43,c1(c[nH]c2c1cccc2)Cc3c[nH]c4ccccc34,"InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2",VFTRKSBEFQDZKX-UHFFFAOYSA-N
BMGC_DG07172,BMG_DG135059,CC(C)OP(=O)(C)OC(C)C,P(OC(C)C)(OC(C)C)(C)=O,"InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3",WOAFDHWYKSOANX-UHFFFAOYSA-N
BMGC_DG07173,BMG_DG135064,C1C[C@H]2[C@@H](C[C@@H]1N2)C3=CN=C(C=C3)Cl,,"InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1",NLPRAJRHRHZCQQ-UTLUCORTSA-N
BMGC_DG07174,BMG_DG135066,COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC,c1(cc(c(OC)c(c1)OC)OC)C(OCCCN2CCN(CCCOC(c3cc(c(OC)c(c3)OC)OC)=O)CCC2)=O,"InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3",QVZCXCJXTMIDME-UHFFFAOYSA-N
BMGC_DG07175,BMG_DG135074,,c12c([C@H](C[C@@H](S1(=O)=O)C)N)cc(s2)S(=O)(=O)N,,HVURBRAECUMAHY-NJGYIYPDSA-N
BMGC_DG07176,BMG_DG135075,C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)F)N,n1(c2c(c(N)nc(n2)F)nc1)[C@H]3[C@H]([C@H](O)[C@H](O3)COP(=O)(O)O)O,"InChI=1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1",GIUYCYHIANZCFB-FJFJXFQQSA-N
BMGC_DG07177,BMG_DG135078,C1CC(CCC1CCN2CCN(CC2)C3=CC=CC=C3)NC4=NC=CC=N4,,"InChI=1S/C22H31N5/c1-2-5-21(6-3-1)27-17-15-26(16-18-27)14-11-19-7-9-20(10-8-19)25-22-23-12-4-13-24-22/h1-6,12-13,19-20H,7-11,14-18H2,(H,23,24,25)",OUUMPVSFLSOGJZ-UHFFFAOYSA-N
BMGC_DG07178,BMG_DG135081,,n1c(Cl)ccc(OC[C@@H]2NCC2)c1,,MKTAGSRKQIGEBH-SSDOTTSWSA-N
BMGC_DG07179,BMG_DG135086,CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC,,"InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3",HSUGRBWQSSZJOP-UHFFFAOYSA-N
BMGC_DG07180,BMG_DG135093,,,,
BMGC_DG07181,BMG_DG135095,CN(C)CCCSC(=N)N,C(SCCCN(C)C)(N)=N,"InChI=1S/C6H15N3S/c1-9(2)4-3-5-10-6(7)8/h3-5H2,1-2H3,(H3,7,8)",OLHQOJYVQUNWPL-UHFFFAOYSA-N
BMGC_DG07182,BMG_DG135106,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)[C@@H](NC6=O)O)NC)OC,,"InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27+,28+/m1/s1",PBCZSGKMGDDXIJ-KRUBCLEUSA-N
BMGC_DG07183,BMG_DG135114,C(C(CS)S)O,SC(CS)CO,"InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2",WQABCVAJNWAXTE-UHFFFAOYSA-N
BMGC_DG07184,BMG_DG135122,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)O,C[C@]12CCC(=O)C[C@]1([H])CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@H](O)C)[C@@]4(C)CC[C@@]32[H],"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-14,16-19,22H,4-12H2,1-3H3/t13-,14-,16-,17+,18-,19-,20-,21+/m0/s1",DYVGYXXLXQESJE-SKLBOBKVSA-N
BMGC_DG07185,BMG_DG135124,,O(c1c(C(OC)=O)cc(O)cc1OC)c2c(C(O)=O)c(O)cc(C)c2,,XOKVHFNTYHPEHN-UHFFFAOYSA-N
BMGC_DG07186,BMG_DG135126,,C([C@@H](NC(CN)=O)CCCCN)(=O)O,,IKAIKUBBJHFNBZ-LURJTMIESA-N
BMGC_DG07187,BMG_DG135130,,c1(cc(ccc1O)NC(C)=O)OC,,KIZWIAQUWRXFNC-UHFFFAOYSA-N
BMGC_DG07188,BMG_DG135136,,C(CNC(=O)C(=O)O)(=O)O,,BIMZLRFONYSTPT-UHFFFAOYSA-N
BMGC_DG07189,BMG_DG135173,CCOC(=O)C(C1CCCCN1)C2=CC=CC=C2,,"InChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3",AIVSIRYZIBXTMM-UHFFFAOYSA-N
BMGC_DG07190,BMG_DG135175,CSCC[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)N,,"InChI=1S/C16H21N3O3S/c1-23-7-6-12(17)15(20)19-14(16(21)22)8-10-9-18-13-5-3-2-4-11(10)13/h2-5,9,12,14,18H,6-8,17H2,1H3,(H,19,20)(H,21,22)/t12-,14-/m0/s1",XYVRXLDSCKEYES-JSGCOSHPSA-N
BMGC_DG07191,BMG_DG135177,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O,,"InChI=1S/C18H24O3.C18H24O2/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21;1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3;3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t13-,14-,15+,16-,17+,18+;14-,15-,16+,17+,18+/m11/s1",YUSCRGFYKCAQHE-HQFNMCNFSA-N
BMGC_DG07192,BMG_DG135190,C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C,,"InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h15-17,19-24,28-29H,5-14H2,1-4H3,(H,30,31)/t16-,17?,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1",GYJSAWZGYQXRBS-GRJZKGIBSA-N
BMGC_DG07193,BMG_DG135191,C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C,,"InChI=1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h14,16-17,20-24,29H,5-13,15H2,1-4H3,(H,30,31)/t16-,17?,20-,21+,22+,23-,24+,26+,27-/m1/s1",SATGKQGFUDXGAX-MYWFJNCASA-N
BMGC_DG07194,BMG_DG135197,CCCN(C1=C(C=NC=C1)F)N2C=C(C3=CC=CC=C32)C,n1(cc(c2ccccc12)C)N(CCC)c3c(cncc3)F,"InChI=1S/C17H18FN3/c1-3-10-20(17-8-9-19-11-15(17)18)21-12-13(2)14-6-4-5-7-16(14)21/h4-9,11-12H,3,10H2,1-2H3",BTDHTARYCBHHPJ-UHFFFAOYSA-N
BMGC_DG07195,BMG_DG135204,CCCCCCCCCCCCNCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O,c12ncn(c1c(n(c(n2C)=O)CCCCCCCCCC(O)CNCCCCCCCCCCCC)=O)C,"InChI=1S/C30H55N5O3/c1-4-5-6-7-8-9-10-13-16-19-22-31-24-26(36)21-18-15-12-11-14-17-20-23-35-29(37)27-28(32-25-33(27)2)34(3)30(35)38/h25-26,31,36H,4-24H2,1-3H3",MZNMZWZGUGFQJP-UHFFFAOYSA-N
BMGC_DG07196,BMG_DG135207,CNC(=O)N(N(CCCl)S(=O)(=O)C)S(=O)(=O)C,ClCCN(S(C)(=O)=O)N(S(C)(=O)=O)C(=O)NC,"InChI=1S/C6H14ClN3O5S2/c1-8-6(11)10(17(3,14)15)9(5-4-7)16(2,12)13/h4-5H2,1-3H3,(H,8,11)",PVCULFYROUOVGJ-UHFFFAOYSA-N
BMGC_DG07197,BMG_DG135209,CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC,c12c(Nc3c(cc(cc3)Br)F)ncnc1cc(c(c2)OC)OCC4CCN(CC4)C,"InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)",UHTHHESEBZOYNR-UHFFFAOYSA-N
BMGC_DG07198,BMG_DG135210,CCCCCCCCCCNCCN[C@]1(C[C@@H](O[C@H]([C@H]1O)C)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C(=C(C=C9[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)CNCP(=O)(O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)C,[C@@]1(O[C@H]([C@H]([C@@](C1)(C)NCCNCCCCCCCCCC)O)C)(O[C@@H]2[C@H]([C@@H]([C@@H](CO)O[C@H]2Oc3c4Oc5c(cc(cc5)[C@H]([C@]6(C(=O)N[C@@H](c7c(c(c(c(c7)O)CNCP(=O)(O)O)O)-c8c(ccc([C@H](C(N6)=O)NC(=O)[C@@H]9NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC([C@H](NC)CC(C)C)=O)[C@H](O)c%10ccc(c(Cl)c%10)Oc3cc9c4)c8)O)C(O)=O)[H])O)Cl)O)O)[H],"InChI=1S/C80H106Cl2N11O27P/c1-7-8-9-10-11-12-13-14-21-85-22-23-87-80(5)32-57(115-37(4)71(80)103)119-70-68(102)67(101)55(34-94)118-79(70)120-69-53-28-41-29-54(69)117-52-20-17-40(27-46(52)82)65(99)63-77(109)91-61(78(110)111)43-30-50(96)44(33-86-35-121(112,113)114)66(100)58(43)42-25-38(15-18-49(42)95)59(74(106)93-63)90-75(107)60(41)89-73(105)48(31-56(83)97)88-76(108)62(92-72(104)47(84-6)24-36(2)3)64(98)39-16-19-51(116-53)45(81)26-39/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-87,94-96,98-103H,7-14,21-24,31-35H2,1-6H3,(H2,83,97)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)(H2,112,113,114)/t37-,47+,48-,55+,57-,59+,60+,61-,62+,63-,64+,65+,67+,68-,70+,71+,79-,80-/m0/s1",ONUMZHGUFYIKPM-MXNFEBESSA-N
BMGC_DG07199,BMG_DG135215,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N,,"InChI=1S/C62H89N17O14/c1-7-35(6)51(78-56(87)44(25-37-17-19-40(80)20-18-37)74-58(89)50(34(4)5)77-53(84)42(15-11-21-68-62(64)65)71-52(83)41(63)28-49(81)82)59(90)75-46(27-39-30-67-32-70-39)60(91)79-22-12-16-48(79)57(88)73-43(24-36-13-9-8-10-14-36)54(85)72-45(26-38-29-66-31-69-38)55(86)76-47(61(92)93)23-33(2)3/h8-10,13-14,17-20,29-35,41-48,50-51,80H,7,11-12,15-16,21-28,63H2,1-6H3,(H,66,69)(H,67,70)(H,71,83)(H,72,85)(H,73,88)(H,74,89)(H,75,90)(H,76,86)(H,77,84)(H,78,87)(H,81,82)(H,92,93)(H4,64,65,68)/t35-,41-,42-,43-,44-,45-,46-,47-,48-,50-,51-/m0/s1",ORWYRWWVDCYOMK-HBZPZAIKSA-N
BMGC_DG07200,BMG_DG135218,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O,O[C@H]1[C@H](n2c3c(nc2)c(N)ncn3)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(CCCC(O)=O)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O,"InChI=1S/C26H42N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h12-14,19-21,25,38-39H,3-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t14-,19-,20-,21+,25-/m1/s1",SYKWLIJQEHRDNH-CKRMAKSASA-N
BMGC_DG07201,BMG_DG135219,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=S,,"InChI=1S/C10H13N4O8PS/c15-5-3(1-21-23(18,19)20)22-9(6(5)16)14-2-11-4-7(14)12-10(17)13-8(4)24/h2-3,5-6,9,15-16H,1H2,(H2,18,19,20)(H2,12,13,17,24)/t3-,5-,6-,9-/m1/s1",WMRIOGFRJLQENF-UUOKFMHZSA-N
BMGC_DG07202,BMG_DG135229,,CC1=N[C@@]2([C@](O1)(C[C@@]3([C@@]2(C[C@@H]([C@]4([C@]3(CCC5=CC(=O)C=C[C@]45C)[H])[H])O)C)[H])[H])C(=O)CO,,KENSGCYKTRNIST-RVUAFKSESA-N
BMGC_DG07203,BMG_DG135238,CN[C@H]1[C@H]([C@@H]2[C@H](C[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O[C@@H]1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)N)O)O)O,[C@@H]1([C@H](O)[C@@H](O)[C@@]([H])([C@@H](N)C1)O[C@@H]2[C@@H](C[C@]3([C@](O2)([C@@H]([C@@H]([C@H](O3)O[C@@]4([H])O[C@@H]([C@@H](N)[C@H](O)[C@H]4O)CO)NC)O)[H])[H])N)N,"InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1",XZNUGFQTQHRASN-XQENGBIVSA-N
BMGC_DG07204,BMG_DG135251,C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N)O,,"InChI=1S/C45H64N8O10/c1-23(2)19-31(46)39(56)50-37(25(5)6)43(60)51-36(24(3)4)42(59)49-34(20-27-14-16-29(55)17-15-27)44(61)53-18-10-13-35(53)41(58)48-33(40(57)52-38(26(7)54)45(62)63)21-28-22-47-32-12-9-8-11-30(28)32/h8-9,11-12,14-17,22-26,31,33-38,47,54-55H,10,13,18-21,46H2,1-7H3,(H,48,58)(H,49,59)(H,50,56)(H,51,60)(H,52,57)(H,62,63)/t26-,31+,33+,34+,35+,36+,37+,38+/m1/s1",BXIFNVGZIMFBQB-DYDSHOKNSA-N
BMGC_DG07205,BMG_DG135254,C[C@@H](C(=O)O)N.CC(=O)O.C1=CC(=CC=C1C[C@@H](C(=O)O)N)O.C(CCN)C[C@@H](C(=O)O)N.C(CC(=O)O)[C@@H](C(=O)O)N,,"InChI=1S/C9H11NO3.C6H14N2O2.C5H9NO4.C3H7NO2.C2H4O2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;7-4-2-1-3-5(8)6(9)10;6-3(5(9)10)1-2-4(7)8;1-2(4)3(5)6;1-2(3)4/h1-4,8,11H,5,10H2,(H,12,13);5H,1-4,7-8H2,(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10);2H,4H2,1H3,(H,5,6);1H3,(H,3,4)/t8-;5-;3-;2-;/m0000./s1",FHEAIOHRHQGZPC-KIWGSFCNSA-N
BMGC_DG07206,BMG_DG135256,C1=CC(=CC=C1C[C@@H](C(=O)O)N)OP(=O)(O)O,N[C@H](C(=O)O)Cc1ccc(OP(O)(=O)O)cc1,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",DCWXELXMIBXGTH-QMMMGPOBSA-N
BMGC_DG07207,BMG_DG135257,CCC1=C(C2=CC3=NC(=CN=C4C=C(C(=CC4=NC=C5C(=C(C(=N5)C=C1[N-]2)CCCO)C)OCCOCCOCCOC)OCCOCCOCCOC)C(=C3CCCO)C)CC.CC(=O)[O-].CC(=O)[O-].O.[Lu+3],[Lu+3].OCCCC=1c2cc3[n-]c(cc4nc(cnc5cc(c(cc5ncc(n2)C1C)OCCOCCOCCOC)OCCOCCOCCOC)C(=C4CCCO)C)c(c3CC)CC.CC(=O)[O-].O.CC(=O)[O-],"InChI=1S/C48H66N5O10.2C2H4O2.Lu.H2O/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;;/h27-32,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);;1H2/q-1;;;+3;/p-2",WIQKYZYFTAEWBF-IOYKFIIZSA-L;WIQKYZYFTAEWBF-UHFFFAOYSA-L
BMGC_DG07208,BMG_DG135264,CCCCCCCCN1CCC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)CC(=O)O)C,c1(c(C)c(NC(C(C)(C)C)=O)c2N(CCc2c1C)CCCCCCCC)CC(O)=O,"InChI=1S/C25H40N2O3/c1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-21(28)29)18(3)22(23(19)27)26-24(30)25(4,5)6/h7-16H2,1-6H3,(H,26,30)(H,28,29)",TXIIZHHIOHVWJD-UHFFFAOYSA-N
BMGC_DG07209,BMG_DG135266,,[C@H]1(c2c(OC)cc(CCCCC)cc2OC)[C@H](C(=C)C)CCC(C)=C1,,UYBGHBAVRNATET-VQTJNVASSA-N
BMGC_DG07210,BMG_DG135267,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)O)C,,"InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h13,16-17,20-25,29-30H,6-12,14-15H2,1-5H3/t17-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1",UQPYXHJTHPHOMM-NIBOIBLTSA-N
BMGC_DG07211,BMG_DG135281,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)N,,"InChI=1S/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1",QMMRCKSBBNJCMR-KMZPNFOHSA-N
BMGC_DG07212,BMG_DG135288,,c1c(ssc1=S)-c2ccc(cc2)O,,IWBBKLMHAILHAR-UHFFFAOYSA-N
BMGC_DG07213,BMG_DG135293,CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O,,"InChI=1S/C27H44N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-14,16,20-22,26,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t16-,20-,21-,22+,26-/m1/s1",NFOYYXQAVVYWKV-HDRQGHTBSA-N
BMGC_DG07214,BMG_DG135320,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC,N([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@](C(N[C@H](C(=O)N2[C@H](C(N[C@@H](C(O)=O)C)=O)CCC2)Cc3cnc[nH]3)=O)([H])[C@@H](C)CC)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC)CCCNC(=N)N)C(C)C,"InChI=1S/C43H67N13O10/c1-7-24(4)35(40(63)53-31(19-27-20-47-22-49-27)41(64)56-17-9-11-32(56)38(61)50-25(5)42(65)66)55-37(60)30(18-26-12-14-28(57)15-13-26)52-39(62)34(23(2)3)54-36(59)29(51-33(58)21-46-6)10-8-16-48-43(44)45/h12-15,20,22-25,29-32,34-35,46,57H,7-11,16-19,21H2,1-6H3,(H,47,49)(H,50,61)(H,51,58)(H,52,62)(H,53,63)(H,54,59)(H,55,60)(H,65,66)(H4,44,45,48)/t24-,25+,29-,30-,31-,32-,34-,35-/m0/s1",XIEWFECSPPTVQN-KMIMAYJXSA-N
BMGC_DG07215,BMG_DG135321,,c1(c(sc(c1C)-c2ccccc2)N)C#N,,ALTJGNDYZQYJSC-UHFFFAOYSA-N
BMGC_DG07216,BMG_DG135331,,CN1[C@]2(c3c(-c4c(C2)ccc(C)c4O)cccc3CC1)[H],,YGOZTDLAUVOPMF-OAHLLOKOSA-N
BMGC_DG07217,BMG_DG135335,,,,
BMGC_DG07218,BMG_DG135338,,[C@H](CN1CCCC1)(N(C(Cc2cc(Cl)c(Cl)cc2)=O)C)c3ccccc3,,AEJOEPSMZCEYJN-HXUWFJFHSA-N
BMGC_DG07219,BMG_DG135367,CCCCCCC(C)(C)C1=CC(=C2[C@@H]3CC(=CC[C@H]3C(OC2=C1)(C)C)C(=O)O)O,c12c([C@]3([C@](C(O1)(C)C)(CC=C(C3)C(=O)O)[H])[H])c(cc(c2)C(CCCCCC)(C)C)O,"InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1",YCHYFHOSGQABSW-RTBURBONSA-N
BMGC_DG07220,BMG_DG135369,C[C@H](CC1=CC=C(C=C1)OC)NC[C@@H](C2=CC(=C(C=C2)O)NC=O)O,c1(cc([C@H](CN[C@@H](Cc2ccc(cc2)OC)C)O)ccc1O)NC=O,"InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1",BPZSYCZIITTYBL-YJYMSZOUSA-N
BMGC_DG07221,BMG_DG135413,,C(S(=O)(=O)[O-])CC[N+](C)(C)C,,WFJHXXPYPMNRPK-UHFFFAOYSA-N
BMGC_DG07222,BMG_DG135418,COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)O,COc1c2ccoc2c(O)c3oc(=O)ccc13,"InChI=1S/C12H8O5/c1-15-10-6-2-3-8(13)17-12(6)9(14)11-7(10)4-5-16-11/h2-5,14H,1H3",MVJHUMZXIJPVHV-UHFFFAOYSA-N
BMGC_DG07223,BMG_DG135423,CC(=O)CC1=CC(=C(C=C1OC)OC)OC,COc1cc(c(OC)cc1CC(C)=O)OC,"InChI=1S/C12H16O4/c1-8(13)5-9-6-11(15-3)12(16-4)7-10(9)14-2/h6-7H,5H2,1-4H3",AQZHZTTUVYQMIN-UHFFFAOYSA-N
BMGC_DG07224,BMG_DG135446,,C([C@@H]1OC(=O)C2=CCCC[C@]21[H])CCC,,UPJFTVFLSIQQAV-KOLCDFICSA-N
BMGC_DG07225,BMG_DG135506,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)NC(=O)C)O)O.[Na+],,"InChI=1S/C28H44N2O23.Na/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43;/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45);/q;+1/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20+,21+,22+,25-,26+,27-,28-;/m1./s1",YWIVKILSMZOHHF-QJZPQSOGSA-N
BMGC_DG07226,BMG_DG135518,CC(C)[C@H]1C(=O)OC(C(=O)N([C@H](C(=O)OC(C(=O)N([C@H](C(=O)OC(C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C,,"InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25?,26?,27?/m0/s1",MIZMDSVSLSIMSC-OGLSAIDSSA-N
BMGC_DG07227,BMG_DG135523,,N(=C/c1ccc(N(C)C)cc1)\c2ccc(S(N)(=O)=O)cc2,,PAQQGWPGFHHBBN-GZTJUZNOSA-N
BMGC_DG07228,BMG_DG135527,,C1[C@]2([C@@](N3[C@@]14C(=O)N([C@](C3=O)(SS4)C)C)(Nc5c2cccc5)[H])[C@@]67[C@@](N8[C@]9(C6)C(=O)N([C@](C8=O)(SS9)C)C)(Nc%10c7cccc%10)[H],,PVVLIIZIQXDFSP-PNVYSBBASA-N
BMGC_DG07229,BMG_DG135564,COC1=C(C=CC2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C=C21)O,,"InChI=1S/C19H15NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,6-9H,4-5,10H2,1H3/p+1",OEGWOBMNQDATKP-UHFFFAOYSA-O
BMGC_DG07230,BMG_DG135566,C1CN(CCC1[C@@]2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4,[C@]1(C2CCN(Cc3ccccc3)CC2)(c4ccccc4)C(NC(=O)CC1)=O,"InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m1/s1",LQQIVYSCPWCSSD-HSZRJFAPSA-N
BMGC_DG07231,BMG_DG135657,C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CCCC(C(=O)O)N)C3=CC=CC=C3,C(C(CCCN1C(NC(C1=O)(c2ccccc2)c3ccccc3)=O)N)(=O)O,"InChI=1S/C20H21N3O4/c21-16(17(24)25)12-7-13-23-18(26)20(22-19(23)27,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,21H2,(H,22,27)(H,24,25)",PAJBBDCZSMDSFL-UHFFFAOYSA-N
BMGC_DG07232,BMG_DG135658,,Nc1c(Br)cc(cc1Br)S(N)(=O)=O,,DLXJPWSYRLLYSV-UHFFFAOYSA-N
BMGC_DG07233,BMG_DG135674,,COc1c2oc(cc(=O)c2c(O)cc1O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)-c4ccccc4,,LNOHXHDWGCMVCO-NTKSAMNMSA-N
BMGC_DG07234,BMG_DG135681,C=CCN.C1C(O1)CCl,,"InChI=1S/C3H5ClO.C3H7N/c4-1-3-2-5-3;1-2-3-4/h3H,1-2H2;2H,1,3-4H2",ZNSIZMQNQCNRBW-UHFFFAOYSA-N
BMGC_DG07235,BMG_DG135692,,C1Cc2c(CN1)ccs2,,OGUWOLDNYOTRBO-UHFFFAOYSA-N
BMGC_DG07236,BMG_DG135695,CC[C@H]([C@H]1CC[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C(=O)O,O1[C@]([H])(CC[C@]([C@@H]1C)(O)CC)[C@]2(O[C@]3(O[C@@]4(O[C@]([C@H](C([C@H]([C@H]([C@@H]([C@@]5(O[C@@]([C@H](C(O)=O)CC)(CC[C@@H]5C)[H])[H])C)O)C)=O)CC)([C@H](C[C@H]4C)C)[H])C=C[C@H]3O)CC2)C,"InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1",KQXDHUJYNAXLNZ-XQSDOZFQSA-N
BMGC_DG07237,BMG_DG135717,CN1CCN2[C@H](C1)C3=CC=CC=C3CC4=C2N=CC=C4,N12c3c(Cc4c([C@]2(CN(CC1)C)[H])cccc4)cccn3,"InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3/t16-/m1/s1",RONZAEMNMFQXRA-MRXNPFEDSA-N
BMGC_DG07238,BMG_DG135760,,O=C1CCNC(=O)c2[nH]ccc12,,AAPGLCCSVSGLFH-UHFFFAOYSA-N
BMGC_DG07239,BMG_DG135767,[OH-].[O-]S(=O)(=O)[O-].[Mg+2].[Al+3],,"InChI=1S/Al.Mg.H2O4S.H2O/c;;1-5(2,3)4;/h;;(H2,1,2,3,4);1H2/q+3;+2;;/p-3",JIFPTBLGXRKRAO-UHFFFAOYSA-K
BMGC_DG07240,BMG_DG135780,,c1cc(c(cc1Br)Br)Oc2c(cc(cc2O)Br)Br,,SNCQITRZEBFIRW-UHFFFAOYSA-N
BMGC_DG07241,BMG_DG135797,CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)N3)C(C)O)C.[Na+],,"InChI=1S/C34H38N4O5.Na/c1-7-21-16(2)24-12-25-17(3)22(8-10-32(40)41)29(36-25)15-30-23(9-11-33(42)43)18(4)26(37-30)14-31-34(20(6)39)19(5)27(38-31)13-28(21)35-24;/h12-15,20,35,38-39H,7-11H2,1-6H3,(H,40,41)(H,42,43);/q;+1",GPVSXPYOJDJYKH-UHFFFAOYSA-N
BMGC_DG07242,BMG_DG135802,,Clc1c2c(ccc1NC=3NCCN3)nccn2,,VJQWCCBDYLTRPZ-UHFFFAOYSA-N
BMGC_DG07243,BMG_DG135813,CCCN1C[C@H](C[C@H]2[C@H]1CC3=C(C2)C(=CC=C3)O)NS(=O)(=O)N(CC)CC,,"InChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3/t16-,17+,19-/m1/s1",GDFGTRDCCWFXTG-ZIFCJYIRSA-N
BMGC_DG07244,BMG_DG135817,CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C.C(C[C@@H](C(=O)O)N)CN=C(N)N.[Fe+2],,"InChI=1S/C34H34N4O4.C6H14N4O2.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;7-4(5(11)12)2-1-3-10-6(8)9;/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);4H,1-3,7H2,(H,11,12)(H4,8,9,10);/q;;+2/t;4-;/m.0./s1",MGQITOFVXOEWNL-INZIHYEWSA-N
BMGC_DG07245,BMG_DG135826,CC(C)N[C@@H]1CCN2C3=C([C@H]1O)C=CC=C3NC2=O,c1ccc2[C@H]([C@@H](CCn3c2c1[nH]c3=O)NC(C)C)O,"InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m1/s1",ZSTCZWJCLIRCOJ-DGCLKSJQSA-N
BMGC_DG07246,BMG_DG135827,CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)O)N)O)O,[C@H]1([C@@H]([C@H](O[C@H]1n2cnc3c(nc(NCCc4ccc(cc4)CCC(O)=O)nc32)N)C(NCC)=O)O)O,"InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1",PAOANWZGLPPROA-RQXXJAGISA-N
BMGC_DG07247,BMG_DG135838,,S(N1CCN(CC1)C)(C[C@H](C(N[C@H](C(N[C@H]([C@H]([C@H](CC(C)C)O)O)CC2CCCCC2)=O)Cc3ncsc3)=O)Cc4ccccc4)(=O)=O,,YFDSDRDMDDGDFC-HOQQKOLYSA-N
BMGC_DG07248,BMG_DG135840,,Cc1c(NS(=O)(=O)c2ccc(cc2)C#Cc3cc(c(O)cc3)C(O)=O)nccc1,,WJLQPSZXCOYTHS-UHFFFAOYSA-N
BMGC_DG07249,BMG_DG135842,C[C@H](C#CC1=CC=C(S1)CC2=CC=C(C=C2)F)N(C(=O)N)O,C(N([C@@H](C#Cc1sc(Cc2ccc(cc2)F)cc1)C)O)(=O)N,"InChI=1S/C16H15FN2O2S/c1-11(19(21)16(18)20)2-7-14-8-9-15(22-14)10-12-3-5-13(17)6-4-12/h3-6,8-9,11,21H,10H2,1H3,(H2,18,20)/t11-/m1/s1",MMSNEKOTSJRTRI-LLVKDONJSA-N
BMGC_DG07250,BMG_DG135844,COC(=O)[C@@H]1[C@H]2CC[C@H](N2CCCF)C[C@@H]1C3=CC=C(C=C3)[123I],C1[C@H]2N([C@@H](C1)C[C@H](c3ccc(cc3)[123I])[C@@H]2C(=O)OC)CCCF,"InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/t14-,15+,16+,17-/m0/s1/i20-4",HXWLAJVUJSVENX-HFIFKADTSA-N
BMGC_DG07251,BMG_DG135845,C[C@@H](C(=O)N[C@@H](C)C(=O)NC1[C@H]2[C@@H]1CN(C2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F)N,C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1[C@]2([H])CN(C[C@]12[H])c3c(F)cc4c(=O)c(cn(-c5ccc(F)cc5F)c4n3)C(O)=O,"InChI=1S/C26H25F3N6O5/c1-10(30)24(37)31-11(2)25(38)32-20-14-7-34(8-15(14)20)23-18(29)6-13-21(36)16(26(39)40)9-35(22(13)33-23)19-4-3-12(27)5-17(19)28/h3-6,9-11,14-15,20H,7-8,30H2,1-2H3,(H,31,37)(H,32,38)(H,39,40)/t10-,11-,14-,15+,20?/m0/s1",UUZPPAMZDFLUHD-VUJLHGSVSA-N;UUZPPAMZDFLUHD-LZGARRQBSA-N
BMGC_DG07252,BMG_DG135848,CC(=O)N(CC1=CC=CC=C1OC)C[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)CN4CCC(CC4)N5CCCCC5,COc1c(CN(C[C@@H](Cc2c[nH]c3c2cccc3)NC(=O)CN4CCC(CC4)N5CCCCC5)C(C)=O)cccc1,"InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-4-7-13-32(26)41-2)23-28(20-27-21-34-31-12-6-5-11-30(27)31)35-33(40)24-36-18-14-29(15-19-36)37-16-8-3-9-17-37/h4-7,10-13,21,28-29,34H,3,8-9,14-20,22-24H2,1-2H3,(H,35,40)/t28-/m1/s1",CVXJAPZTZWLRBP-MUUNZHRXSA-N
BMGC_DG07253,BMG_DG135863,CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)S(=O)(=O)N(C)C)N(C)C,S(c1cc2N(c3ccccc3Sc2cc1)CC(N(C)C)C)(N(C)C)(=O)=O,"InChI=1S/C19H25N3O2S2/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5/h6-12,14H,13H2,1-5H3",VWNWVCJGUMZDIU-UHFFFAOYSA-N
BMGC_DG07254,BMG_DG135864,,c1(cc(cc(c1O)-c2c(c(cc(c2)Br)Br)O)Br)Br,,TXODBIOSWNNKJM-UHFFFAOYSA-N
BMGC_DG07255,BMG_DG135868,,Cc1ccccc1-c2nnc(-c3ccccc3C)o2,,PMGVHHSGIQBGCK-UHFFFAOYSA-N
BMGC_DG07256,BMG_DG135871,,c1(n(c(C)nc1)C)[N+]([O-])=O,,IBXPYPUJPLLOIN-UHFFFAOYSA-N
BMGC_DG07257,BMG_DG135883,,n1(nccc1C(=O)Nc2c(cc(cc2)/N=N/c3c(cccc3)C)C)C,,LKTNEXPODAWWFM-GHVJWSGMSA-N
BMGC_DG07258,BMG_DG135884,CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N,[N+](c1c(c(C(=O)N)cc([N+]([O-])=O)c1)C)([O-])=O,"InChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)",ZEFNOZRLAWVAQF-UHFFFAOYSA-N
BMGC_DG07259,BMG_DG135895,,,,
BMGC_DG07260,BMG_DG135896,,C(Cc1cc(ccc1)C(c2ccccc2)=O)(=O)O,,ALDSXDRDRWDASQ-UHFFFAOYSA-N
BMGC_DG07261,BMG_DG135897,,C(Cc1ccccc1)n2c3c(c(N)ncn3)nc2,,MALQBKDZBRRFOM-UHFFFAOYSA-N
BMGC_DG07262,BMG_DG135901,CCCCN(CCCC)CCNC1=NC(=NO1)C2=CC=CC=C2,CCCCN(CCCC)CCNc1nc(no1)-c2ccccc2,"InChI=1S/C18H28N4O/c1-3-5-13-22(14-6-4-2)15-12-19-18-20-17(21-23-18)16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3,(H,19,20,21)",VYWQZAARVNRSTR-UHFFFAOYSA-N
BMGC_DG07263,BMG_DG135903,C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl,c1(c(ccc(c1)CC(=O)O)OCC=C)Cl,"InChI=1S/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)",ARHWPKZXBHOEEE-UHFFFAOYSA-N
BMGC_DG07264,BMG_DG135918,C1=NC2=NC(=NC(=C2N1)N)N,Nc1c2c(nc(n1)N)[nH]cn2,"InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)",MSSXOMSJDRHRMC-UHFFFAOYSA-N
BMGC_DG07265,BMG_DG135936,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,C(c1ccccc1)(c2ccccc2)OCCN(C)C,"InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3",ZZVUWRFHKOJYTH-UHFFFAOYSA-N
BMGC_DG07266,BMG_DG135947,,c1(c(cc(cc1OC)CC(N)C)OC)OC,,WGTASENVNYJZBK-UHFFFAOYSA-N
BMGC_DG07267,BMG_DG135951,C1=CC=C(C=C1)C(=O)C2=CC=CC=C2,C(=O)(c1ccccc1)c2ccccc2,InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,RWCCWEUUXYIKHB-UHFFFAOYSA-N
BMGC_DG07268,BMG_DG135956,CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3,C(OC1CCN(CC1)C)(c2ccccc2)c3ccccc3,"InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3",OWQUZNMMYNAXSL-UHFFFAOYSA-N
BMGC_DG07269,BMG_DG135957,CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC4CCCCC4,,"InChI=1S/C25H30N2O5/c1-15-21(24(29)32-18-7-5-4-6-8-18)22(16-9-11-17(12-10-16)27(30)31)23-19(26-15)13-25(2,3)14-20(23)28/h9-12,18,22,26H,4-8,13-14H2,1-3H3",SWWVFYHSSOWZMF-UHFFFAOYSA-N
BMGC_DG07270,BMG_DG135959,,N(c1ccc(cc1)S(N)(=O)=O)c2nc(N)ncc2,,QOAXQANKSMHFKJ-UHFFFAOYSA-N
BMGC_DG07271,BMG_DG135960,C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)F,C(Nc1ccc(F)cc1)(Nc2ccc(S(=O)(=O)N)cc2)=O,"InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)",YJQZNWPYLCNRLP-UHFFFAOYSA-N
BMGC_DG07272,BMG_DG135962,,N(C(=O)Nc1c(ccc(c1)C(F)(F)F)Cl)c2c(ccc(c2)Cl)O,,OUDXRNQPVSMGDW-UHFFFAOYSA-N
BMGC_DG07273,BMG_DG135969,CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(CNC)O)OC(=O)C(C)(C)C,C(Oc1c(OC(C(C)(C)C)=O)ccc(c1)C(O)CNC)(C(C)(C)C)=O,"InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3",OCUJLLGVOUDECM-UHFFFAOYSA-N
BMGC_DG07274,BMG_DG135987,CCOC(=O)N1C=CN(C1=S)C,n1(c(n(C)cc1)=S)C(=O)OCC,"InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3",CFOYWRHIYXMDOT-UHFFFAOYSA-N
BMGC_DG07275,BMG_DG135990,C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO,c12c(c(N3CCCCC3)nc(n1)N(CCO)CCO)nc(nc2N4CCCCC4)N(CCO)CCO,"InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2",IZEKFCXSFNUWAM-UHFFFAOYSA-N
BMGC_DG07276,BMG_DG135995,C1=CC=[N+](C(=C1)SSC2=CC=CC=[N+]2[O-])[O-],[n+]1(c(SSc2[n+]([O-])cccc2)cccc1)[O-],InChI=1S/C10H8N2O2S2/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14/h1-8H,ZHDBTKPXEJDTTQ-UHFFFAOYSA-N
BMGC_DG07277,BMG_DG135998,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,C(CC(=O)O)(CC(=O)O)(C(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",KRKNYBCHXYNGOX-UHFFFAOYSA-N
BMGC_DG07278,BMG_DG136000,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O,N12[C@@](O)(O[C@](C(C)C)(C1=O)NC(=O)[C@H]3CN(C)[C@@]4(Cc5c6c(cccc6C4=C3)[nH]c5Br)[H])[C@@]7(CCCN7C(=O)[C@@H]2CC(C)C)[H].S(=O)(=O)(O)C,"InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23-,24+,25+,31-,32+;/m1./s1",NOJMTMIRQRDZMT-GSPXQYRGSA-N
BMGC_DG07279,BMG_DG136001,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O,N12[C@@](O[C@](C1=O)(NC([C@@H]3C=C4c5c6c([nH]c(c6C[C@]4(N(C3)C)[H])Br)ccc5)=O)C(C)C)([C@@]7(CCCN7C([C@@H]2CC(C)C)=O)[H])O,"InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1",OZVBMTJYIDMWIL-AYFBDAFISA-N
BMGC_DG07280,BMG_DG136003,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O,n1(n(c(=O)c(N(CS(O)(=O)=O)C)c1C)-c2ccccc2)C,"InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20)",LVWZTYCIRDMTEY-UHFFFAOYSA-N
BMGC_DG07281,BMG_DG136016,CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N)C(C)C,C(C(=O)N)(CCN(C(C)C)C(C)C)(c1ncccc1)c2ccccc2,"InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)",UVTNFZQICZKOEM-UHFFFAOYSA-N
BMGC_DG07282,BMG_DG136018,,N(C(=O)Nc1noc(c1)C)c2c(cc(c(c2)Cl)OC)OC,,CEIIEALEIHQDBX-UHFFFAOYSA-N
BMGC_DG07283,BMG_DG136019,,C(c1c(cccc1)SCCCN2C(c3cccc4c3c(C2=O)ccc4)=O)(=O)O,,GMVZUCHUOYUMLL-UHFFFAOYSA-N
BMGC_DG07284,BMG_DG136020,CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC=O,c1(cc(n(c1)C)C(Nc2cn(c(C(Nc3cn(c(C(=O)NCCC(=N)N)c3)C)=O)c2)C)=O)NC=O,"InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)",UPBAOYRENQEPJO-UHFFFAOYSA-N
BMGC_DG07285,BMG_DG136026,C[N+]1=CC=CC(=C1)OC(=O)N(C)CCCCCCN(C)C(=O)OC2=C[N+](=CC=C2)C,C[n+]1cccc(OC(N(CCCCCCN(C(Oc2ccc[n+](C)c2)=O)C)C)=O)c1,"InChI=1S/C22H32N4O4/c1-23-13-9-11-19(17-23)29-21(27)25(3)15-7-5-6-8-16-26(4)22(28)30-20-12-10-14-24(2)18-20/h9-14,17-18H,5-8,15-16H2,1-4H3/q+2",AHZBEVXBKNYXPU-UHFFFAOYSA-N
BMGC_DG07286,BMG_DG136030,CCN(CC)C(=S)SSC(=S)N(CC)CC,C(SSC(=S)N(CC)CC)(=S)N(CC)CC,"InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3",AUZONCFQVSMFAP-UHFFFAOYSA-N
BMGC_DG07287,BMG_DG136043,,c1ccc2cnc(cc2c1)N,,VYCKDIRCVDCQAE-UHFFFAOYSA-N
BMGC_DG07288,BMG_DG136054,[Cl-],[Cl-],InChI=1S/ClH/h1H/p-1,VEXZGXHMUGYJMC-UHFFFAOYSA-M
BMGC_DG07289,BMG_DG136055,CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,C(Nc1cc(Cl)c(cc1)Cl)(N(C)C)=O,"InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)",XMTQQYYKAHVGBJ-UHFFFAOYSA-N
BMGC_DG07290,BMG_DG136065,CCCC(CCC)C(=O)O,C(=O)(C(CCC)CCC)O,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",NIJJYAXOARWZEE-UHFFFAOYSA-N
BMGC_DG07291,BMG_DG136069,CC(=O)CCC1=CC(=C(C=C1)O)OC,c1(cc(c(O)cc1)OC)CCC(C)=O,"InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3",OJYLAHXKWMRDGS-UHFFFAOYSA-N
BMGC_DG07292,BMG_DG136072,CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C,C[C@]12[C@@H](COC)OC(=O)c3coc(c31)C(=O)C=4[C@]5([H])CCC(=O)[C@@]5(C)C[C@@H](OC(=O)C)C42,"InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1",QDLHCMPXEPAAMD-QAIWCSMKSA-N
BMGC_DG07293,BMG_DG136081,C1=CC=C(C=C1)NNC2=CC=CC=C2,c1cccc(c1)NNc2ccccc2,"InChI=1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H",YBQZXXMEJHZYMB-UHFFFAOYSA-N
BMGC_DG07294,BMG_DG136096,C1=CC=C(C=C1)OCCO,c1(OCCO)ccccc1,"InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2",QCDWFXQBSFUVSP-UHFFFAOYSA-N
BMGC_DG07295,BMG_DG136106,COC1=CC=C(C=C1)C=O,c1c(C=O)ccc(c1)OC,"InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3",ZRSNZINYAWTAHE-UHFFFAOYSA-N
BMGC_DG07296,BMG_DG136125,CC(C)CCO,CC(CCO)C,"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3",PHTQWCKDNZKARW-UHFFFAOYSA-N
BMGC_DG07297,BMG_DG136126,CC(=O)CC(=O)C,C(C(=O)C)C(=O)C,"InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3",YRKCREAYFQTBPV-UHFFFAOYSA-N
BMGC_DG07298,BMG_DG136129,CC1OC(OC(O1)C)C,C[C@@H]1OC(C)O[C@H](C)O1,"InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3",SQYNKIJPMDEDEG-UHFFFAOYSA-N
BMGC_DG07299,BMG_DG136133,C1CCNC1,C1CCNC1,"InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2",RWRDLPDLKQPQOW-UHFFFAOYSA-N
BMGC_DG07300,BMG_DG136135,CC(CC1=CC=C(C=C1)Cl)N,c1(ccc(Cl)cc1)CC(N)C,"InChI=1S/C9H12ClN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3",WWPITPSIWMXDPE-UHFFFAOYSA-N
BMGC_DG07301,BMG_DG136141,C1COCCO1,C1COCCO1,InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,RYHBNJHYFVUHQT-UHFFFAOYSA-N
BMGC_DG07302,BMG_DG136143,,O=C1c2c(C(=O)C(COC(N)=O)=C1COC(N)=O)c(O)ccc2O,,UBGXTWNFKIDHRB-UHFFFAOYSA-N
BMGC_DG07303,BMG_DG136168,C(=O)(N)N.OO,C(=O)(N)N.OO,"InChI=1S/CH4N2O.H2O2/c2-1(3)4;1-2/h(H4,2,3,4);1-2H",AQLJVWUFPCUVLO-UHFFFAOYSA-N
BMGC_DG07304,BMG_DG136174,Cl,Cl,InChI=1S/ClH/h1H,VEXZGXHMUGYJMC-UHFFFAOYSA-N
BMGC_DG07305,BMG_DG136177,CC(=C)[C@@H]1C2[C@@H]3[C@@]4([C@](C1C(=O)O2)(CC5[C@]4(O5)C(=O)O3)O)C.C[C@@]12[C@H]3C4[C@H](C([C@@]1(C[C@@H]5[C@]2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O,,"InChI=1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7?,8?,9-,13-,14-,15+;6?,7-,8?,9?,10+,13+,14+,15-/m10/s1",VJKUPQSHOVKBCO-ZTYBEOBUSA-N
BMGC_DG07306,BMG_DG136179,C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O,[C@]12([C@]([C@H](O)C[C@]1([C@@]3(CCC=4[C@@]([C@]3([C@H](C2)O)F)(C=CC(=O)C4)C)[H])[H])(C(=O)CO)O)C,"InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1",GFNANZIMVAIWHM-OBYCQNJPSA-N
BMGC_DG07307,BMG_DG136184,C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,C1(C(c2ccccc2N1)(c3ccc(cc3)O)c4ccc(cc4)O)=O,"InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24/h1-12,22-23H,(H,21,24)",SJDACOMXKWHBOW-UHFFFAOYSA-N
BMGC_DG07308,BMG_DG136186,C1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)O,c1ccc(cc1)CC(CS)C(=O)NCC(O)=O,"InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)",LJJKNPQAGWVLDQ-UHFFFAOYSA-N
BMGC_DG07309,BMG_DG136201,CN(C)C1=NC=NC2=C1NC=N2,n1c[nH]c2c1ncnc2N(C)C,"InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)",BVIAOQMSVZHOJM-UHFFFAOYSA-N
BMGC_DG07310,BMG_DG136210,,CSC(SC)=O,,IUXMJLLWUTWQFX-UHFFFAOYSA-N
BMGC_DG07311,BMG_DG136211,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,C(CC([O-])=O)(CC([O-])=O)(C([O-])=O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3",KRKNYBCHXYNGOX-UHFFFAOYSA-K
BMGC_DG07312,BMG_DG136226,,C1(c2c(C(C(=C1OC)OC)=O)cccc2)=O,,ZEGDFCCYTFPECB-UHFFFAOYSA-N
BMGC_DG07313,BMG_DG136231,,Clc1nn2cnnc2cc1,,OUNXXBYNOUBNPF-UHFFFAOYSA-N
BMGC_DG07314,BMG_DG136243,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)F,[C@@]12([C@@](C(=O)CO)(CC[C@]2([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)F)(CCC(=O)C4)C)[H])[H])O)C,"InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1",AAXVEMMRQDVLJB-BULBTXNYSA-N
BMGC_DG07315,BMG_DG136247,,S(c1ccccc1)(c2ccccc2)(=O)=O,,KZTYYGOKRVBIMI-UHFFFAOYSA-N
BMGC_DG07316,BMG_DG136255,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,[C@]12([C@]([C@@]3([C@H](C[C@]4([C@@]([C@]3(CC1)[H])(CC[C@@H](O)C4)C)[H])O)[H])(CC[C@@]2([C@@H](CCC(=O)O)C)[H])[H])C,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1",RUDATBOHQWOJDD-UZVSRGJWSA-N
BMGC_DG07317,BMG_DG136256,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,[C@]12([C@]([C@]3([C@]([C@@]4([C@](C[C@H](O)CC4)([H])CC3)C)([H])CC1)[H])(CC[C@@H]2C(=O)C)[H])C,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1",AURFZBICLPNKBZ-YZRLXODZSA-N
BMGC_DG07318,BMG_DG136257,CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3",NLZUEZXRPGMBCV-UHFFFAOYSA-N
BMGC_DG07319,BMG_DG136258,,c1(c(c(C(C)(C)C)ccc1)O)C(C)(C)C,,DKCPKDPYUFEZCP-UHFFFAOYSA-N
BMGC_DG07320,BMG_DG136264,,[nH]1nc-2c(c1-c3ccncc3)Cc4c2cccc4,,NHOACLCXCKJMAK-UHFFFAOYSA-N
BMGC_DG07321,BMG_DG136272,,c12c(C(c3ccccc3C1=O)=O)c(ccc2N)N,,FBMQNRKSAWNXBT-UHFFFAOYSA-N
BMGC_DG07322,BMG_DG136276,C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2,c12c3c4cccc3ccc1cccc2cc4,InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H,BBEAQIROQSPTKN-UHFFFAOYSA-N
BMGC_DG07323,BMG_DG136298,C1=CC(=CC=C1OC2=C(C=C(C=C2)NC(=O)C3=C(C(=CC(=C3)I)I)O)Cl)Cl,c1(C(Nc2cc(Cl)c(cc2)Oc3ccc(cc3)Cl)=O)c(c(I)cc(c1)I)O,"InChI=1S/C19H11Cl2I2NO3/c20-10-1-4-13(5-2-10)27-17-6-3-12(9-15(17)21)24-19(26)14-7-11(22)8-16(23)18(14)25/h1-9,25H,(H,24,26)",NEMNPWINWMHUMR-UHFFFAOYSA-N
BMGC_DG07324,BMG_DG136301,CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O,c1(c(c(C)c(cc1C)OCC(CNC(C)C)O)C)OC(=O)C,"InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3",BQIPXWYNLPYNHW-UHFFFAOYSA-N
BMGC_DG07325,BMG_DG136304,C1C2CC3CC(CC1N3CC2=O)OC(=O)C4=CNC5=CC=CC=C54,,"InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2",UKTAZPQNNNJVKR-UHFFFAOYSA-N
BMGC_DG07326,BMG_DG136309,,n1c(c2nc(CNc3c4c(cccc4)ccc3)cnc2nc1N)N,,QVHFSGMRVQZGMC-UHFFFAOYSA-N
BMGC_DG07327,BMG_DG136311,,c1(C(C(c2ccccc2)=O)=O)ccc(OC)cc1,,NTINAJCDYRYMML-UHFFFAOYSA-N
BMGC_DG07328,BMG_DG136321,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC=CC=C3,c1(nc(-c2ccccc2)c3c(n1C(C)C)cc(cc3)C)=O,"InChI=1S/C18H18N2O/c1-12(2)20-16-11-13(3)9-10-15(16)17(19-18(20)21)14-7-5-4-6-8-14/h4-12H,1-3H3",JTIGKVIOEQASGT-UHFFFAOYSA-N
BMGC_DG07329,BMG_DG136323,C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O,c1(n(c2ccc(cc2[nH]1)Cl)C3CCN(CC3)CCCn4c([nH]c5c4cccc5)=O)=O,"InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)",FGXWKSZFVQUSTL-UHFFFAOYSA-N
BMGC_DG07330,BMG_DG136328,C(COP(=O)(N)N(CCCl)CCCl)C(=O)O,N(P(OCCC(O)=O)(N)=O)(CCCl)CCCl,"InChI=1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(10,14)15-6-1-7(12)13/h1-6H2,(H2,10,14)(H,12,13)",QLAKAJLYYGOZQL-UHFFFAOYSA-N
BMGC_DG07331,BMG_DG136329,COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC,c12C(C(CC3CCN(Cc4ccccc4)CC3)Cc1cc(c(c2)OC)OC)=O,"InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3",ADEBPBSSDYVVLD-UHFFFAOYSA-N
BMGC_DG07332,BMG_DG136331,C1CC2=CC(=C(C=C2CC1N)O)O,c1c(c(cc2CC(CCc12)N)O)O,"InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2",ASXGAOFCKGHGMF-UHFFFAOYSA-N
BMGC_DG07333,BMG_DG136339,COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,O[C@H]1C(=O)c2c(O[C@@H]1c3ccc4c(c3)O[C@H](c5ccc(O)c(OC)c5)[C@@H](CO)O4)cc(O)cc2O,"InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1",SEBFKMXJBCUCAI-HKTJVKLFSA-N
BMGC_DG07334,BMG_DG136341,CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4,N1(CCOCC1)CCC2C(C(N(C2)CC)=O)(c3ccccc3)c4ccccc4,"InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3",XFDJYSQDBULQSI-UHFFFAOYSA-N
BMGC_DG07335,BMG_DG136352,COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC,c1(nc(N)c2c(n1)cc(c(OC)c2)OC)N3CCN(C(C4Oc5ccccc5OC4)=O)CC3,"InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)",RUZYUOTYCVRMRZ-UHFFFAOYSA-N
BMGC_DG07336,BMG_DG136355,CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31,,"InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3",ODQWQRRAPPTVAG-UHFFFAOYSA-N
BMGC_DG07337,BMG_DG136357,C1=CC=C(C=C1)CNC(=O)CN2C=CN=C2[N+](=O)[O-],c1([N+]([O-])=O)n(CC(NCc2ccccc2)=O)ccn1,"InChI=1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)",CULUWZNBISUWAS-UHFFFAOYSA-N
BMGC_DG07338,BMG_DG136364,,NS(=O)(=O)c1ccc(CCC(=O)O)cc1,,JUEONDBIBADVGD-UHFFFAOYSA-N
BMGC_DG07339,BMG_DG136365,CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C,C(c1ncccc1)(c2ccccc2)(OCCN(C)C)C,"InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3",HCFDWZZGGLSKEP-UHFFFAOYSA-N
BMGC_DG07340,BMG_DG136375,C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(F)(F)F,N1(c2c(C(c3ccccc3)=NCC1=O)cc(cc2)Cl)CC(F)(F)F,"InChI=1S/C17H12ClF3N2O/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)22-9-15(24)23(14)10-17(19,20)21/h1-8H,9-10H2",WYCLKVQLVUQKNZ-UHFFFAOYSA-N
BMGC_DG07341,BMG_DG136392,,O=C1C(=O)c2c3ccccc3cc4cccc1c24,,YAIBDWAANBTYIA-UHFFFAOYSA-N
BMGC_DG07342,BMG_DG136394,C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F,c1(n(C2=CCN(CC2)CCCC(c3ccc(cc3)F)=O)c4ccccc4[nH]1)=O,"InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)",RMEDXOLNCUSCGS-UHFFFAOYSA-N
BMGC_DG07343,BMG_DG136395,C1CN(CCN1CC(CO)O)C2=CC=CC=C2,N1(c2ccccc2)CCN(CC(CO)O)CC1,"InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2",PTVWPYVOOKLBCG-UHFFFAOYSA-N
BMGC_DG07344,BMG_DG136397,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O,c12c(C(=O)c3c(C1=O)cccc3OC)c(O)c4c(c2O)C[C@](C(=O)CO)(O)C[C@@H]4O[C@@]5(O[C@@H](C)[C@H]([C@H](C5)N)O)[H],"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1",AOJJSUZBOXZQNB-TZSSRYMLSA-N
BMGC_DG07345,BMG_DG136402,CC(CC1=CC=C(C=C1)OC)N,c1(CC(N)C)ccc(cc1)OC,"InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3",NEGYEDYHPHMHGK-UHFFFAOYSA-N
BMGC_DG07346,BMG_DG136435,,O(C)[C@@H]1C[C@]23C4=C(CCN2CCC3=CC1)COC(C4)=O,,ALSKYCOJJPXPFS-BBRMVZONSA-N
BMGC_DG07347,BMG_DG136439,CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)C,N1(c2cc(S(=O)(=O)C)ccc2Sc3c1cccc3)CCC4N(C)CCCC4,"InChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26-21-11-10-17(15-19(21)23)27(2,24)25/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3",FLGCRGJDQJIJAW-UHFFFAOYSA-N
BMGC_DG07348,BMG_DG136452,CS(=O)(=O)C1=CC=C(C=C1)C2=C(SC(=C2)Br)C3=CC=C(C=C3)F,c1(c(cc(s1)Br)-c2ccc(S(=O)(=O)C)cc2)-c3ccc(cc3)F,"InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3",AJFTZWGGHJXZOB-UHFFFAOYSA-N
BMGC_DG07349,BMG_DG136471,,CN1CCc2c3c(c4OCOc4c2)-c5cc(OC)c(OC)cc5C[C@]31[H],,YJWBWQWUHVXPNC-CQSZACIVSA-N
BMGC_DG07350,BMG_DG136482,CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2,N1(CCC(c2ccc(cc2)OCCCC)=O)CCCCC1,"InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3",BZEWSEKUUPWQDQ-UHFFFAOYSA-N
BMGC_DG07351,BMG_DG136483,C[N+]1(CCCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C,[N+]1(C(CCCC1)COC(=O)C(c2ccccc2)(c3ccccc3)O)(C)C,"InChI=1S/C22H28NO3/c1-23(2)16-10-9-15-20(23)17-26-21(24)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20,25H,9-10,15-17H2,1-2H3/q+1",UHUMRJKDOOEQIG-UHFFFAOYSA-N
BMGC_DG07352,BMG_DG136490,,NNC(=O)c1ccc(S(N)(=O)=O)cc1,,JIDAHYHCQJXNTD-UHFFFAOYSA-N
BMGC_DG07353,BMG_DG136491,CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O,c12c(c(=O)n(c(n1C)=O)C)n(CC(O)CO)cn2,"InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3",KSCFJBIXMNOVSH-UHFFFAOYSA-N
BMGC_DG07354,BMG_DG136508,,c12c(cccn1)CCc3c(C2=C4CCN(CC4)C)ccc(c3)Cl,,VLXSCTINYKDTKR-UHFFFAOYSA-N
BMGC_DG07355,BMG_DG136512,CC1=NC(=CC=C1)CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C,c1(nc(CCN2CCC(CC2)C(c3ccc(cc3)NS(C)(=O)=O)=O)ccc1)C,"InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3",SRUISGSHWFJION-UHFFFAOYSA-N
BMGC_DG07356,BMG_DG136517,C1CCC(CC1)(C2=CC=CC=C2)N,C1(c2ccccc2)(CCCCC1)N,"InChI=1S/C12H17N/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,13H2",RGZGRPPQZUQUCR-UHFFFAOYSA-N
BMGC_DG07357,BMG_DG136534,CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4,C(OC1CCN(CC1)CCCC(c2ccc(C(C)(C)C)cc2)=O)(c3ccccc3)c4ccccc4,"InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3",MJJALKDDGIKVBE-UHFFFAOYSA-N
BMGC_DG07358,BMG_DG136546,C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2,n1(c(c2ccccc2[se]1)=O)-c3ccccc3,InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H,DYEFUKCXAQOFHX-UHFFFAOYSA-N
BMGC_DG07359,BMG_DG136560,C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl,c1(c(cc(cc1)Cl)Cl)C(Cn2cncc2)OCc3ccc(cc3)Cl,"InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2",LEZWWPYKPKIXLL-UHFFFAOYSA-N
BMGC_DG07360,BMG_DG136578,CC[N+](C)(C)C1=CC(=CC=C1)O,[N+](c1cc(O)ccc1)(CC)(C)C,"InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1",VWLHWLSRQJQWRG-UHFFFAOYSA-O
BMGC_DG07361,BMG_DG136595,[Zn+2],[Zn+2],InChI=1S/Zn/q+2,PTFCDOFLOPIGGS-UHFFFAOYSA-N
BMGC_DG07362,BMG_DG136599,CCCCCCC(C(C)O)N1C=NC2=C(N=CN=C21)N,,"InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)",IOSAAWHGJUZBOG-UHFFFAOYSA-N
BMGC_DG07363,BMG_DG136618,CC1=C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1CCC(=O)O)N2)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O)C,,"InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)",NIUVHXTXUXOFEB-UHFFFAOYSA-N
BMGC_DG07364,BMG_DG136624,CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C,c12c(c(C)c3c(c1C)ccnc3)c4ccccc4[nH]2,"InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3",CTSPAMFJBXKSOY-UHFFFAOYSA-N
BMGC_DG07365,BMG_DG136635,CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC.Cl,c1(c(NC(=O)C(NCCC)C)c(C)cs1)C(=O)OC.Cl,"InChI=1S/C13H20N2O3S.ClH/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4;/h7,9,14H,5-6H2,1-4H3,(H,15,16);1H",GDWDBGSWGNEMGJ-UHFFFAOYSA-N
BMGC_DG07366,BMG_DG136636,CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC,c1(c(NC(=O)C(NCCC)C)c(C)cs1)C(=O)OC,"InChI=1S/C13H20N2O3S/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4/h7,9,14H,5-6H2,1-4H3,(H,15,16)",QTGIAADRBBLJGA-UHFFFAOYSA-N
BMGC_DG07367,BMG_DG136637,C1C2=CC=CC=C2NC1=O,c1ccc2c(c1)CC(N2)=O,"InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)",JYGFTBXVXVMTGB-UHFFFAOYSA-N
BMGC_DG07368,BMG_DG136638,COC1=CC2=C(C=C1)C=C(C=C2)CC(=O)O,C(Cc1cc2ccc(cc2cc1)OC)(=O)O,"InChI=1S/C13H12O3/c1-16-12-5-4-10-6-9(7-13(14)15)2-3-11(10)8-12/h2-6,8H,7H2,1H3,(H,14,15)",PHJFLPMVEFKEPL-UHFFFAOYSA-N
BMGC_DG07369,BMG_DG136639,,C1(=O)C(O)=C(CCCCCCCCCCC)C(=O)C(O)=C1,,IRSFLDGTOHBADP-UHFFFAOYSA-N
BMGC_DG07370,BMG_DG136644,CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C,c1(nc2ccccc2n1CCOCC)N3CCN(C)CCC3,"InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3",KBUZBQVCBVDWKX-UHFFFAOYSA-N
BMGC_DG07371,BMG_DG136650,CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O,C1(c2c(cc(cc2O)C)C(c3c1c(cc(O)c3)O)=O)=O,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",RHMXXJGYXNZAPX-UHFFFAOYSA-N
BMGC_DG07372,BMG_DG136657,,O1c2c(C(=Cc3c1cccc3)N4CCN(CC4)C)cc(cc2)Cl,,OTKUTGIVEREJLL-UHFFFAOYSA-N
BMGC_DG07373,BMG_DG136663,,Nc1c(=O)[nH]ccc1,,VTSFNCCQCOEPKF-UHFFFAOYSA-N
BMGC_DG07374,BMG_DG136664,C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)O,c1(c(cc(cc1)Cl)Cl)C(Cn2cncc2)O,"InChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2",UKVLTPAGJIYSGN-UHFFFAOYSA-N
BMGC_DG07375,BMG_DG136665,C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,,"InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2",RDYMFSUJUZBWLH-UHFFFAOYSA-N
BMGC_DG07376,BMG_DG136673,,c12-c(nc(n(c1=O)C)=O)n(C)nc(n2)-c3cc(OC)c(cc3)OC,,MWQDYWIWJRWUBC-UHFFFAOYSA-N
BMGC_DG07377,BMG_DG136674,,c12-c(nc(n(c1=O)C)=O)n(C)nc(n2)-c3cc4OCOc4cc3,,FEQRWFABERLIOV-UHFFFAOYSA-N
BMGC_DG07378,BMG_DG136687,C(C(OC(F)F)(F)F)(F)Cl,C(OC(F)F)(C(Cl)F)(F)F,"InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H",JPGQOUSTVILISH-UHFFFAOYSA-N
BMGC_DG07379,BMG_DG136694,C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N,,"InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)",XNSAINXGIQZQOO-UHFFFAOYSA-N
BMGC_DG07380,BMG_DG136700,CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O,c1(c(c2cc(F)c(nc2n(c1)CC)N3CCNCC3)=O)C(=O)O,"InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)",IDYZIJYBMGIQMJ-UHFFFAOYSA-N
BMGC_DG07381,BMG_DG136706,C1=CC=C2C(=C1)C=CC(=O)O2,o1c(ccc2c1cccc2)=O,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
BMGC_DG07382,BMG_DG136739,,O=c1c2c(nc([nH]2)-c3ccccc3)[nH]c(=O)n1C,,UOOOWRVLSKCKGJ-UHFFFAOYSA-N
BMGC_DG07383,BMG_DG136748,,O=c1c2c(c3c(cc2)cccc3)oc(c1)-c4cccnc4,,RURRJHXFMININK-UHFFFAOYSA-N
BMGC_DG07384,BMG_DG136752,CCC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2,C(C(CN1CCCCC1)C)(c2ccc(cc2)CC)=O,"InChI=1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3",SQUNAWUMZGQQJD-UHFFFAOYSA-N
BMGC_DG07385,BMG_DG136759,,,,
BMGC_DG07386,BMG_DG136784,C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N,N12C(c3c(cccc3)Cc4c1cccc4)CN=C2N,"InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)",WHWZLSFABNNENI-UHFFFAOYSA-N
BMGC_DG07387,BMG_DG136790,CCOC(=O)C1(CCNCC1)C2=CC=CC=C2,C1(c2ccccc2)(C(OCC)=O)CCNCC1,"InChI=1S/C14H19NO2/c1-2-17-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3",QKHMFBKXTNQCTM-UHFFFAOYSA-N
BMGC_DG07388,BMG_DG136793,CC1=CC(=NC(=N1)N2C(=CC(=N2)C)OC)OC,n1(-c2nc(OC)cc(n2)C)c(cc(n1)C)OC,"InChI=1S/C11H14N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h5-6H,1-4H3",RHAXSHUQNIEUEY-UHFFFAOYSA-N
BMGC_DG07389,BMG_DG136817,C1=CC=C2C(=C1)C=CC(=C2O)N=NC3=C4C=CC(=CC4=C(C=C3O)S(=O)(=O)O)[N+](=O)[O-],,"InChI=1S/C20H13N3O7S/c24-17-10-18(31(28,29)30)15-9-12(23(26)27)6-7-14(15)19(17)22-21-16-8-5-11-3-1-2-4-13(11)20(16)25/h1-10,24-25H,(H,28,29,30)",GDHWAXDSTKHEAZ-UHFFFAOYSA-N
BMGC_DG07390,BMG_DG136832,C1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)CC3=C(C=CC4=CC=CC=C43)O,O=c1[nH]c(=S)[nH]c(-c2ccccc2)c1Cc3c(O)ccc4ccccc34,"InChI=1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)",RVNSQVIUFZVNAU-UHFFFAOYSA-N
BMGC_DG07391,BMG_DG136846,,CC(C)(C)c1ccc(cc1)S(=O)(=O)O,,LZQMCUIWYRQLOG-UHFFFAOYSA-N
BMGC_DG07392,BMG_DG136849,,,,
BMGC_DG07393,BMG_DG136868,,COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1N3CCN(C)CC3,,BDHMSYNBSBZCAF-UHFFFAOYSA-N
BMGC_DG07394,BMG_DG136874,,CCOC(=O)c1cccc(B(O)O)c1,,REHVCPNQQBDOJJ-UHFFFAOYSA-N
BMGC_DG07395,BMG_DG136876,C1=CC(=CC=C1C(=O)NCC(=O)[O-])N,,"InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)/p-1",HSMNQINEKMPTIC-UHFFFAOYSA-M
BMGC_DG07396,BMG_DG136878,CC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C,,"InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)",WVVSZNPYNCNODU-UHFFFAOYSA-N
BMGC_DG07397,BMG_DG136885,CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C,,"InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)",XCGSFFUVFURLIX-UHFFFAOYSA-N
BMGC_DG07398,BMG_DG136887,,O(C)c1c(cc(CC=C)cc1)-c2cc(CC=C)c(OC)cc2,,GDCJELDNRAWYTE-UHFFFAOYSA-N
BMGC_DG07399,BMG_DG136906,,CC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,,VVHPZBGPXIXCQI-UHFFFAOYSA-N
BMGC_DG07400,BMG_DG136915,CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O,,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3",ULGZDMOVFRHVEP-UHFFFAOYSA-N
BMGC_DG07401,BMG_DG136927,,,,
BMGC_DG07402,BMG_DG136928,,,,
BMGC_DG07403,BMG_DG136929,,,,
BMGC_DG07404,BMG_DG136939,C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)O)I)I)O)I,c1(O)c(cc2C3(c4c(Oc2c1I)c(I)c(O)c(c4)I)c5c(cccc5)C(O3)=O)I,"InChI=1S/C20H8I4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H",OALHHIHQOFIMEF-UHFFFAOYSA-N
BMGC_DG07405,BMG_DG136944,CC(C)CC1=NC=CN=C1OC,c1(c(nccn1)OC)CC(C)C,"InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3",UXFSPRAGHGMRSQ-UHFFFAOYSA-N
BMGC_DG07406,BMG_DG136950,CC(C)C1=CC=C(C=C1)C=O,c1cc(C=O)ccc1C(C)C,"InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3",WTWBUQJHJGUZCY-UHFFFAOYSA-N
BMGC_DG07407,BMG_DG136952,,,,
BMGC_DG07408,BMG_DG136955,,n12c(sc3c1ccc(C)c3)nnc2,,HRBVAEOOKCYONQ-UHFFFAOYSA-N
BMGC_DG07409,BMG_DG136957,CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)OP(=O)(O)O)O)O)C(C)Cl,,"InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)",UFUVLHLTWXBHGZ-UHFFFAOYSA-N
BMGC_DG07410,BMG_DG136958,,n12c(sc3c1c(cc(C)c3)C)nnc2,,OSXXJJFPJYFCPT-UHFFFAOYSA-N
BMGC_DG07411,BMG_DG136960,C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4,n12-c3c(C(c4ccccc4)=NCc1nnc2)cc(cc3)Cl,"InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2",CDCHDCWJMGXXRH-UHFFFAOYSA-N
BMGC_DG07412,BMG_DG136965,CC1=CC(=NS(=O)(=O)O1)[O-],,"InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)/p-1",YGCFIWIQZPHFLU-UHFFFAOYSA-M
BMGC_DG07413,BMG_DG137005,CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C=CC6=CC(=C(C(=C6)OC)OC)OC,,"InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/t20-,24+,26-,29-,31+,34+/m1/s1",SZLZWPPUNLXJEA-LAFLMMDJSA-N
BMGC_DG07414,BMG_DG137016,CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-],c12c3cccc1cc(cc2C(=O)N(C3=O)CCN(C)C)[N+](=O)[O-],"InChI=1S/C16H15N3O4/c1-17(2)6-7-18-15(20)12-5-3-4-10-8-11(19(22)23)9-13(14(10)12)16(18)21/h3-5,8-9H,6-7H2,1-2H3",XXVLKDRPHSFIIB-UHFFFAOYSA-N
BMGC_DG07415,BMG_DG137017,,[N+](=O)([O-])c1cc2cccc3C(N(C(c(c1)c32)=O)CCN4CCCC4)=O,,GBOQUHPYCRYKGV-UHFFFAOYSA-N
BMGC_DG07416,BMG_DG137023,C1=CC2=C3C(=CC(=C2C(=C1)S(=O)(=O)N)[N+](=O)[O-])NC(=O)C(=O)N3,S(N)(=O)(=O)c1c2c(c3c(cc2[N+](=O)[O-])[nH]c(=O)c(=O)[nH]3)ccc1,"InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)",UQNAFPHGVPVTAL-UHFFFAOYSA-N
BMGC_DG07417,BMG_DG137040,,O=C(C(=O)c1ccc2ccccc2c1)c3ccc4ccccc4c3,,CUUMQBIJNWGQLU-UHFFFAOYSA-N
BMGC_DG07418,BMG_DG137041,CCN(CC)CCOC1=CC=CC=C1C(=O)CCC2=CC=CC=C2,c1cc(C(CCc2ccccc2)=O)c(cc1)OCCN(CC)CC,"InChI=1S/C21H27NO2/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3",OEGDFSLNGABBKJ-UHFFFAOYSA-N
BMGC_DG07419,BMG_DG137050,C1=CN(C(=N1)[N+](=O)[O-])CC(=O)NCCO,c1([N+]([O-])=O)n(CC(=O)NCCO)ccn1,"InChI=1S/C7H10N4O4/c12-4-2-8-6(13)5-10-3-1-9-7(10)11(14)15/h1,3,12H,2,4-5H2,(H,8,13)",WCDWBPCFGJXFJZ-UHFFFAOYSA-N
BMGC_DG07420,BMG_DG137056,CCN1C2=NC=C(C(=C2C=N1)NN=C(C)C)C(=O)OCC,c12c(c(cnc1n(CC)nc2)C(OCC)=O)NN=C(C)C,"InChI=1S/C14H19N5O2/c1-5-19-13-10(8-16-19)12(18-17-9(3)4)11(7-15-13)14(20)21-6-2/h7-8H,5-6H2,1-4H3,(H,15,18)",OPQRBXUBWHDHPQ-UHFFFAOYSA-N
BMGC_DG07421,BMG_DG137059,,c1c(C)nsc1NC(=O)Nc2ccc3n(C)ccc3c2,,USFUFHFQWXDVMH-UHFFFAOYSA-N
BMGC_DG07422,BMG_DG137060,,n1(c2c(con2)c([nH]c1=O)=O)CC,,GTMGELLVPUSBMG-UHFFFAOYSA-N
BMGC_DG07423,BMG_DG137062,CC1=CC(=NO1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NN3CCCCCC3,c1(ccc(CCNC(c2noc(c2)C)=O)cc1)S(NC(NN3CCCCCC3)=O)(=O)=O,"InChI=1S/C20H27N5O5S/c1-15-14-18(23-30-15)19(26)21-11-10-16-6-8-17(9-7-16)31(28,29)24-20(27)22-25-12-4-2-3-5-13-25/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)(H2,22,24,27)",ZKUDBRCEOBOWLF-UHFFFAOYSA-N
BMGC_DG07424,BMG_DG137063,CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl,c1(c(c(Cl)c(cc1)OCC(=O)O)Cl)C(C(=C)CC)=O,"InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)",AVOLMBLBETYQHX-UHFFFAOYSA-N
BMGC_DG07425,BMG_DG137065,C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)Cl,Clc1cc2c3c(oc2cc1)cccc3,InChI=1S/C12H7ClO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H,PRKTYWJFCODJOA-UHFFFAOYSA-N
BMGC_DG07426,BMG_DG137071,CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl,[C@]12([C@]([C@@H](C)C[C@]1([C@@]3(CCC=4[C@@]([C@]3([C@H](C2)O)F)(C=CC(=O)C4)C)[H])[H])(C(=O)CCl)OC(=O)CC)C,"InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1",CBGUOGMQLZIXBE-XGQKBEPLSA-N
BMGC_DG07427,BMG_DG137073,CCOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OCC)OCC)OCC,c12c(nccc1cc(OCC)c(c2)OCC)Cc3cc(OCC)c(cc3)OCC,"InChI=1S/C24H29NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-12,14-16H,5-8,13H2,1-4H3",ZOWYFYXTIWQBEP-UHFFFAOYSA-N
BMGC_DG07428,BMG_DG137086,CCOC1=CC=CC=C1C(=O)N,c1(C(=O)N)c(OCC)cccc1,"InChI=1S/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)",SBNKFTQSBPKMBZ-UHFFFAOYSA-N
BMGC_DG07429,BMG_DG137087,CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O,,"InChI=1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3",FOINLJRVEBYARJ-UHFFFAOYSA-N
BMGC_DG07430,BMG_DG137090,CCOCC,O(CC)CC,"InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",RTZKZFJDLAIYFH-UHFFFAOYSA-N
BMGC_DG07431,BMG_DG137101,C#CC1(CCCCC1)OC(=O)N,C(OC1(C#C)CCCCC1)(=O)N,"InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)",GXRZIMHKGDIBEW-UHFFFAOYSA-N
BMGC_DG07432,BMG_DG137114,CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl,,"InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10?,13?,15-,17?,22?,27-;/m0./s1",MWWSFMDVAYGXBV-FGBJBKNOSA-N
BMGC_DG07433,BMG_DG137119,,N1(C(c2cc(N)cc3c2c(C1=O)ccc3)=O)CCN4CCCC4,,TXYIFVDECCPRPY-UHFFFAOYSA-N
BMGC_DG07434,BMG_DG137134,C[C@H](CC1=CC=CC=C1)N,C(c1ccccc1)[C@H](N)C,"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1",KWTSXDURSIMDCE-MRVPVSSYSA-N
BMGC_DG07435,BMG_DG137139,CCN(CC)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31,N1(c2c(cccc2)Sc3c1cccc3)CC(N(CC)CC)C,"InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3",CDOZDBSBBXSXLB-UHFFFAOYSA-N
BMGC_DG07436,BMG_DG137143,CCC1(CC(=O)NC1=O)C,N1C(C(CC)(C)CC1=O)=O,"InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)",HAPOVYFOVVWLRS-UHFFFAOYSA-N
BMGC_DG07437,BMG_DG137146,CCN1C(=O)C(NC1=O)C2=CC=CC=C2,N1(C(NC(C1=O)c2ccccc2)=O)CC,"InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)",SZQIFWWUIBRPBZ-UHFFFAOYSA-N
BMGC_DG07438,BMG_DG137151,,o1nc(nc1C)-c2cc(c(cc2)-c3ccc(cc3)C(Nc4ccc(c(c4)OCCN(C)C)OC)=O)C,,JRNUKVFYILMMLX-UHFFFAOYSA-N
BMGC_DG07439,BMG_DG137162,CCOC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2,c1cc(cc-2oc3cc(ccc3nc21)OCC)=O,"InChI=1S/C14H11NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h3-8H,2H2,1H3",CRCWUBLTFGOMDD-UHFFFAOYSA-N
BMGC_DG07440,BMG_DG137168,CCOC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N,c1(S(=O)(=O)N)nc2ccc(cc2s1)OCC,"InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)",OUZWUKMCLIBBOG-UHFFFAOYSA-N
BMGC_DG07441,BMG_DG137182,CCOC(=O)C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F,C=1(c2c(NC(C(N1)C(OCC)=O)=O)ccc(c2)Cl)c3c(cccc3)F,"InChI=1S/C18H14ClFN2O3/c1-2-25-18(24)16-17(23)21-14-8-7-10(19)9-12(14)15(22-16)11-5-3-4-6-13(11)20/h3-9,16H,2H2,1H3,(H,21,23)",CUCHJCMWNFEYOM-UHFFFAOYSA-N
BMGC_DG07442,BMG_DG137186,CC1CCC2=C(C1)OC=C2C,o1cc(c2c1CC(CC2)C)C,"InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3",YGWKXXYGDYYFJU-UHFFFAOYSA-N
BMGC_DG07443,BMG_DG137187,C(C=O)Cl,ClCC=O,"InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2",QSKPIOLLBIHNAC-UHFFFAOYSA-N
BMGC_DG07444,BMG_DG137193,C(CN)N,C(CN)N,InChI=1S/C2H8N2/c3-1-2-4/h1-4H2,PIICEJLVQHRZGT-UHFFFAOYSA-N
BMGC_DG07445,BMG_DG137202,C(CC(=O)O)[C@@H](C(=O)O)N,C(=O)([C@H](CCC(=O)O)N)O,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",WHUUTDBJXJRKMK-VKHMYHEASA-N
BMGC_DG07446,BMG_DG137203,CN(C)CC[C@@H](C1=CC=C(C=C1)Cl)C2=CC=CC=N2,[C@H](CCN(C)C)(c1ccc(cc1)Cl)c2ncccc2,"InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1",SOYKEARSMXGVTM-HNNXBMFYSA-N
BMGC_DG07447,BMG_DG137204,[C@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O,O[C@H]([C@@H](C(=O)O)O)[C@@H]([C@H](C(=O)O)O)O,"InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1",DSLZVSRJTYRBFB-LLEIAEIESA-N
BMGC_DG07448,BMG_DG137207,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)F,n1(c([nH]c(=O)c(c1)C)=O)[C@@H]2O[C@H](CO)[C@H](C2)F,"InChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1",UXCAQJAQSWSNPQ-XLPZGREQSA-N
BMGC_DG07449,BMG_DG137210,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,[C@H]1(O[C@@]2(O[C@H](CO)[C@H]([C@H]2O)O)[H])[C@H](O[C@]3(O[C@@H]([C@@H](O)[C@@H]([C@H]3N)O)CN)[H])[C@H](C[C@@H](N)[C@@H]1O)N,"InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1",NSKGQURZWSPSBC-VVPCINPTSA-N
BMGC_DG07450,BMG_DG137213,,c1cc2c(Oc3c(N2C(=O)C)cccc3)cc1,,MXVOQCUXOQFIHU-UHFFFAOYSA-N
BMGC_DG07451,BMG_DG137217,CC(O)(P(=O)(O)O)P(=O)(O)O,C(P(=O)(O)O)(P(=O)(O)O)(O)C,"InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)",DBVJJBKOTRCVKF-UHFFFAOYSA-N
BMGC_DG07452,BMG_DG137221,CCNCC(C1=CC(=CC=C1)O)O,c1(cc(ccc1)O)C(CNCC)O,"InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3",SQVIAVUSQAWMKL-UHFFFAOYSA-N
BMGC_DG07453,BMG_DG137222,CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4Cl)C,c1(n2-c3c(cc(s3)CC)C(c4c(cccc4)Cl)=NCc2nn1)C,"InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3",VMZUTJCNQWMAGF-UHFFFAOYSA-N
BMGC_DG07454,BMG_DG137223,,c1([N+]([O-])=O)c(N2CCCCC2)ccc(-c3c(nc(nc3CC)N)N)c1,,SGWVNXVUSVARKJ-UHFFFAOYSA-N
BMGC_DG07455,BMG_DG137227,CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O,c12[nH]c3c(cccc3c1CCOC2(CC(=O)O)CC)CC,"InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)",NNYBQONXHNTVIJ-UHFFFAOYSA-N
BMGC_DG07456,BMG_DG137250,,,,
BMGC_DG07457,BMG_DG137253,,,,
BMGC_DG07458,BMG_DG137260,,n12c(sc3c1ccc4ccccc34)nnc2-c5ccc(cc5)OC,,HLIMLOCFQJDVDJ-UHFFFAOYSA-N
BMGC_DG07459,BMG_DG137267,COC1=C(C=CC(=C1)CC=C)O,c1(c(ccc(c1)CC=C)O)OC,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",RRAFCDWBNXTKKO-UHFFFAOYSA-N
BMGC_DG07460,BMG_DG137279,CC(C)C1=NC=CN=C1OC,c1(c(nccn1)C(C)C)OC,"InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3",NTOPKICPEQUPPH-UHFFFAOYSA-N
BMGC_DG07461,BMG_DG137286,CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5,O[C@@]12c3c(cc(OC)cc3O[C@@]2(c4ccc(OC)cc4)[C@H](c5ccccc5)[C@@H](C(=O)N(C)C)[C@H]1O)OC,"InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1",DAPAQENNNINUPW-IDAMAFBJSA-N
BMGC_DG07462,BMG_DG137295,COC1=C(C=CC(=C1)C=C)O,c1(c(ccc(C=C)c1)O)OC,"InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3",YOMSJEATGXXYPX-UHFFFAOYSA-N
BMGC_DG07463,BMG_DG137302,,C1CC(=O)C(=O)C(C)C1,,JDXJKLGWPNXSHL-UHFFFAOYSA-N
BMGC_DG07464,BMG_DG137308,C1COCCN1C(=O)C2=CC3=NON=C3C=C2,C1N(C(c2cc3c(non3)cc2)=O)CCOC1,"InChI=1S/C11H11N3O3/c15-11(14-3-5-16-6-4-14)8-1-2-9-10(7-8)13-17-12-9/h1-2,7H,3-6H2",KFRQROSRKSVROW-UHFFFAOYSA-N
BMGC_DG07465,BMG_DG137309,CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C,c12nc(N)ncc2ncn1CCC(COC(=O)C)COC(=O)C,"InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)",GGXKWVWZWMLJEH-UHFFFAOYSA-N
BMGC_DG07466,BMG_DG137310,COC1=C(C=CC(=C1)C[C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)O,O1[C@@H]([C@H]([C@H](C1)Cc2cc(c(cc2)O)OC)CO)c3cc(c(cc3)O)OC,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",MHXCIKYXNYCMHY-AUSJPIAWSA-N
BMGC_DG07467,BMG_DG137316,C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N,c1(CSCCC(=N)NS(=O)(N)=O)csc(NC(N)=N)n1,"InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)",XUFQPHANEAPEMJ-UHFFFAOYSA-N
BMGC_DG07468,BMG_DG137320,CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)CSc3sc(C)nn3)[H])NC(Cn4nnnc4)=O,"InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1",MLYYVTUWGNIJIB-BXKDBHETSA-N
BMGC_DG07469,BMG_DG137326,CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)CN(C)C(C)CC3=CC=CC=C3,c1(n(n(c(CN(C(C)Cc2ccccc2)C)c1C(C)C)C)-c3ccccc3)=O,"InChI=1S/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3",GNUXVOXXWGNPIV-UHFFFAOYSA-N
BMGC_DG07470,BMG_DG137333,CC(=CCCC(=CCCC(=CCO)C)C)C,,"InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3",CRDAMVZIKSXKFV-UHFFFAOYSA-N
BMGC_DG07471,BMG_DG137338,,O(C)c1c(OC)cc(C[C@H]([C@@H](Cc2cc3c(cc2)OCO3)CO)CO)cc1OC,,FDHFWHRGVDRJIK-IRXDYDNUSA-N
BMGC_DG07472,BMG_DG137352,C1=CC(=CC=C1NN=C(C#N)C#N)OC(F)(F)F,c1(ccc(NN=C(C#N)C#N)cc1)OC(F)(F)F,"InChI=1S/C10H5F3N4O/c11-10(12,13)18-9-3-1-7(2-4-9)16-17-8(5-14)6-15/h1-4,16H",BMZRVOVNUMQTIN-UHFFFAOYSA-N
BMGC_DG07473,BMG_DG137355,,O(c1c2ccoc2cc3oc(=O)ccc31)C[C@@]4(OC4(C)C)[H],,QTAGQHZOLRFCBU-ZDUSSCGKSA-N
BMGC_DG07474,BMG_DG137357,CC(C)OC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=CSC=N3,c1(nc2ccc(NC(=O)OC(C)C)cc2[nH]1)-c3ncsc3,"InChI=1S/C14H14N4O2S/c1-8(2)20-14(19)16-9-3-4-10-11(5-9)18-13(17-10)12-6-21-7-15-12/h3-8H,1-2H3,(H,16,19)(H,17,18)",QZWHWHNCPFEXLL-UHFFFAOYSA-N
BMGC_DG07475,BMG_DG137359,C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N,C(OCC(COC(=O)N)c1ccccc1)(=O)N,"InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)",WKGXYQFOCVYPAC-UHFFFAOYSA-N
BMGC_DG07476,BMG_DG137363,C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O,C(=O)(Cc1ccc(cc1)-c2ccccc2)O,"InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)",QRZAKQDHEVVFRX-UHFFFAOYSA-N
BMGC_DG07477,BMG_DG137367,CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C,C=1(C(C(C(=O)OC)=C(NC1C)C)c2c(c(Cl)ccc2)Cl)C(=O)OCC,"InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3",RZTAMFZIAATZDJ-UHFFFAOYSA-N
BMGC_DG07478,BMG_DG137370,COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3,c1(nc2ccc(cc2[nH]1)Sc3ccccc3)NC(=O)OC,"InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)",HDDSHPAODJUKPD-UHFFFAOYSA-N
BMGC_DG07479,BMG_DG137374,,N(CCN(C)C)c1c2c(c(CO)cc1)sc3c(c2=O)cc(O)cc3,,YDQFGJFCLNZQJY-UHFFFAOYSA-N
BMGC_DG07480,BMG_DG137379,C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(=O)O,C(c1ccc(cc1)-c2ccccc2)(=O)CCC(=O)O,"InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)",ZPAKPRAICRBAOD-UHFFFAOYSA-N
BMGC_DG07481,BMG_DG137380,,C1=2N(C(=O)c3c1cccc3)CCC4=NNC(C24)=O,,HAVZPSFUQICONT-UHFFFAOYSA-N
BMGC_DG07482,BMG_DG137384,CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3,c1cc(C(CCNC(C)c2ccccc2)c3ccccc3)ccc1,"InChI=1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3",NMKSAYKQLCHXDK-UHFFFAOYSA-N
BMGC_DG07483,BMG_DG137390,CCNC(C)CC1=CC(=CC=C1)C(F)(F)F,C(c1cc(CC(NCC)C)ccc1)(F)(F)F,"InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3",DBGIVFWFUFKIQN-UHFFFAOYSA-N
BMGC_DG07484,BMG_DG137397,CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,C(C(Oc1ccc(C(c2ccc(cc2)Cl)=O)cc1)(C)C)(OC(C)C)=O,"InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3",YMTINGFKWWXKFG-UHFFFAOYSA-N
BMGC_DG07485,BMG_DG137403,C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O,c12c(c(c(O)c(c1)O)Cl)CCNCC2c3ccc(cc3)O,"InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2",TVURRHSHRRELCG-UHFFFAOYSA-N
BMGC_DG07486,BMG_DG137407,CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O,C(C(c1cc(Oc2ccccc2)ccc1)C)(=O)O,"InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)",RDJGLLICXDHJDY-UHFFFAOYSA-N
BMGC_DG07487,BMG_DG137409,C1COCCC1(CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C(=O)NO,S(CC1(C(=O)NO)CCOCC1)(c2ccc(Oc3ccc(cc3)Cl)cc2)(=O)=O,"InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)",ROSNVSQTEGHUKU-UHFFFAOYSA-N
BMGC_DG07488,BMG_DG137414,CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O,,"InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3",LSLYOANBFKQKPT-UHFFFAOYSA-N
BMGC_DG07489,BMG_DG137427,C1CN(CCC12CNC(=O)O2)CCC3=CC=CC=C3,C1(OC2(CCN(CC2)CCc3ccccc3)CN1)=O,"InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)",FVNFBBAOMBJTST-UHFFFAOYSA-N
BMGC_DG07490,BMG_DG137441,CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3,N(C(=O)CC)(C1CCN(CC1)CCc2ccccc2)c3ccccc3,"InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3",PJMPHNIQZUBGLI-UHFFFAOYSA-N
BMGC_DG07491,BMG_DG137443,CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC,P(=S)(Oc1cc(C)c(cc1)SC)(OC)OC,"InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3",PNVJTZOFSHSLTO-UHFFFAOYSA-N
BMGC_DG07492,BMG_DG137469,CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O,C(C)(C)(O)[C@@H]1Cc2c(O1)cc3c(c2)ccc(o3)=O,"InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1",FWYSBEAFFPBAQU-LBPRGKRZSA-N
BMGC_DG07493,BMG_DG137473,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OCOC(=O)C(C)(C)C)C,N12[C@@](SC([C@@H]1C(OCOC(C(C)(C)C)=O)=O)(C)C)([H])[C@@H](C2=O)NC([C@@H](c3ccccc3)N)=O,"InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t13-,14-,15+,18-/m1/s1",ZEMIJUDPLILVNQ-ZXFNITATSA-N
BMGC_DG07494,BMG_DG137476,CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O,C(C1CCN(CC1)CCCC(c2ccc(C(C(=O)O)(C)C)cc2)O)(c3ccccc3)(c4ccccc4)O,"InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)",RWTNPBWLLIMQHL-UHFFFAOYSA-N
BMGC_DG07495,BMG_DG137501,C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)Cl,c1(ccc(cc1)Cl)OCC(N2CCN(CC2)Cc3cc4c(cc3)OCO4)=O,"InChI=1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2",BFUJHVVEMMWLHC-UHFFFAOYSA-N
BMGC_DG07496,BMG_DG137505,C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F,Clc1cc(C(F)(F)F)cc(Cl)c1-n2c(N)c([S+]([O-])C(F)(F)F)c(C#N)n2,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2",ZOCSXAVNDGMNBV-UHFFFAOYSA-N
BMGC_DG07497,BMG_DG137521,CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4,c12oc(-c3ccccc3)c(c(c1cccc2C(=O)OCCN4CCCCC4)=O)C,"InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3",SPIUTQOUKAMGCX-UHFFFAOYSA-N
BMGC_DG07498,BMG_DG137535,,[N+](=[N-])=[N-],,IVRMZWNICZWHMI-UHFFFAOYSA-N
BMGC_DG07499,BMG_DG137538,C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,c1(C(NCC2NCCCC2)=O)c(OCC(F)(F)F)ccc(c1)OCC(F)(F)F,"InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)",DJBNUMBKLMJRSA-UHFFFAOYSA-N
BMGC_DG07500,BMG_DG137553,CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F,c1(c(c2cc(F)c(c(c2n(c1)CCF)F)N3CCN(CC3)C)=O)C(=O)O,"InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)",XBJBPGROQZJDOJ-UHFFFAOYSA-N
BMGC_DG07501,BMG_DG137554,C[C@@H]([C@@H](C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O,,"InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1",IOVGROKTTNBUGK-SJCJKPOMSA-N
BMGC_DG07502,BMG_DG137562,CC(=O)NCCOC(=O)C(C1=CC=C(C=C1)Cl)OC2=CC=CC(=C2)C(F)(F)F,C(c1cc(OC(C(=O)OCCNC(=O)C)c2ccc(cc2)Cl)ccc1)(F)(F)F,"InChI=1S/C19H17ClF3NO4/c1-12(25)24-9-10-27-18(26)17(13-5-7-15(20)8-6-13)28-16-4-2-3-14(11-16)19(21,22)23/h2-8,11,17H,9-10H2,1H3,(H,24,25)",BJBCSGQLZQGGIQ-UHFFFAOYSA-N
BMGC_DG07503,BMG_DG137575,C1=CC=C(C(=C1)C(=O)OCC(CO)O)NC2=C3C=CC=C(C3=NC=C2)C(F)(F)F,c1(cccc2c(ccnc21)Nc3ccccc3C(=O)OCC(CO)O)C(F)(F)F,"InChI=1S/C20H17F3N2O4/c21-20(22,23)15-6-3-5-13-17(8-9-24-18(13)15)25-16-7-2-1-4-14(16)19(28)29-11-12(27)10-26/h1-9,12,26-27H,10-11H2,(H,24,25)",APQPGQGAWABJLN-UHFFFAOYSA-N
BMGC_DG07504,BMG_DG137589,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C,N12[C@@](SC([C@@H]1C(O)=O)(C)C)([H])[C@@H](C2=O)NC([C@@H](c3ccc(cc3)O)N)=O,"InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1",LSQZJLSUYDQPKJ-NJBDSQKTSA-N
BMGC_DG07505,BMG_DG137591,CCC(=O)C1=C(C=C(C=C1O)O)O,c1(c(cc(O)cc1O)O)C(CC)=O,"InChI=1S/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3",PTHLEKANMPKYDB-UHFFFAOYSA-N
BMGC_DG07506,BMG_DG137598,CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O,c1(c(nsn1)OC[C@H](CNC(C)(C)C)O)N2CCOCC2,"InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1",BLJRIMJGRPQVNF-JTQLQIEISA-N
BMGC_DG07507,BMG_DG137601,C1CN(CCC1NC(=O)C2=CC=CC=C2)CCC3=CNC4=CC=CC=C43,c12c(c[nH]c1cccc2)CCN3CCC(NC(c4ccccc4)=O)CC3,"InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)",JXZZEXZZKAWDSP-UHFFFAOYSA-N
BMGC_DG07508,BMG_DG137607,C1CN(CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F,c1(c(ccc(C2(CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F)O)c1)Cl)C(F)(F)F,"InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2",MDLAAYDRRZXJIF-UHFFFAOYSA-N
BMGC_DG07509,BMG_DG137611,COC1=CC2=C(C=C1)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4)O,[C@]12(Oc3cc(OC)ccc3[C@@]1(COc4c2ccc(O)c4)[H])[H],"InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1",NSRJSISNDPOJOP-BBRMVZONSA-N
BMGC_DG07510,BMG_DG137639,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,C(c1c(cc(cc1)F)F)(Cn2ncnc2)(Cn3ncnc3)O,"InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2",RFHAOTPXVQNOHP-UHFFFAOYSA-N
BMGC_DG07511,BMG_DG137645,C1=NC(=O)NC(=C1F)N,n1c(c(F)c[nH]c1=O)N,"InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)",XRECTZIEBJDKEO-UHFFFAOYSA-N
BMGC_DG07512,BMG_DG137653,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)OC4=CC=CC=C4)C(=O)O)C,N12[C@@]([C@H](NC(C(c3ccccc3)C(Oc4ccccc4)=O)=O)C1=O)(SC([C@@H]2C(O)=O)(C)C)[H],"InChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29)/t15?,16-,17+,20-/m1/s1",NZDASSHFKWDBBU-KVMCETHSSA-N
BMGC_DG07513,BMG_DG137657,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NO,c12c(c(CC(NO)=O)c(n1C(c3ccc(Cl)cc3)=O)C)cc(OC)cc2,"InChI=1S/C19H17ClN2O4/c1-11-15(10-18(23)21-25)16-9-14(26-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9,25H,10H2,1-2H3,(H,21,23)",AJRNYCDWNITGHF-UHFFFAOYSA-N
BMGC_DG07514,BMG_DG137659,C1COP(=O)(NC1=O)N(CCCl)CCCl,P1(=O)(N(CCCl)CCCl)OCCC(N1)=O,"InChI=1S/C7H13Cl2N2O3P/c8-2-4-11(5-3-9)15(13)10-7(12)1-6-14-15/h1-6H2,(H,10,12,13)",VBMZHOCORXMDJU-UHFFFAOYSA-N
BMGC_DG07515,BMG_DG137665,CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F,C=1(c2c(N(C)C(CN1)=O)ccc(c2)Cl)c3c(cccc3)F,"InChI=1S/C16H12ClFN2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3",ROYOYTLGDLIGBX-UHFFFAOYSA-N
BMGC_DG07516,BMG_DG137669,,c12c3nc(CO)ccc3ccc1ccc(n2)CO,,IEPOQNOTFLXUPQ-UHFFFAOYSA-N
BMGC_DG07517,BMG_DG137680,C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F,C(c1cc(Nc2c(C(=O)O)cccc2)ccc1)(F)(F)F,"InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)",LPEPZBJOKDYZAD-UHFFFAOYSA-N
BMGC_DG07518,BMG_DG137693,C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO,N1(c2c(ccc(C(F)(F)F)c2)Sc3c1cccc3)CCCN4CCN(CC4)CCO,"InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2",PLDUPXSUYLZYBN-UHFFFAOYSA-N
BMGC_DG07519,BMG_DG137705,CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C,c12n(-c3c(cc(cc3)F)C(N(C1)C)=O)cnc2C(=O)OCC,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3",OFBIFZUFASYYRE-UHFFFAOYSA-N
BMGC_DG07520,BMG_DG137708,C1COC2=C([C@]13C(=O)NC(=O)N3)C=C(C=C2)F,[C@]12(C(NC(N1)=O)=O)c3c(ccc(c3)F)OCC2,"InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1",LXANPKRCLVQAOG-NSHDSACASA-N
BMGC_DG07521,BMG_DG137714,,c12c(c3cc(O)ccc3oc1c(CO)ccc2NCCN(C)C)=O,,BOTXZPXSICDQHE-UHFFFAOYSA-N
BMGC_DG07522,BMG_DG137717,CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O,c1(cn2C(CCc3c2c(c1=O)cc(c3)F)C)C(=O)O,"InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)",DPSPPJIUMHPXMA-UHFFFAOYSA-N
BMGC_DG07523,BMG_DG137718,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O,[C@@]1([C@@H](CN(C)C)CCCC1)(c2cc(OC)ccc2)O,"InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1",TVYLLZQTGLZFBW-ZBFHGGJFSA-N
BMGC_DG07524,BMG_DG137728,CC1=CC(=O)N2CC(=O)N(C3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl)C,C12(N(C(=O)C=C(O1)C)CC(=O)N(c3c2cc(cc3)Cl)C)c4ccccc4,"InChI=1S/C20H17ClN2O3/c1-13-10-18(24)23-12-19(25)22(2)17-9-8-15(21)11-16(17)20(23,26-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3",PWAJCNITSBZRBL-UHFFFAOYSA-N
BMGC_DG07525,BMG_DG137746,,,,
BMGC_DG07526,BMG_DG137748,,c12cc3c(cc1OCC24CCN(CC4)C)CCN3C(=O)c5ccc(cc5)-c6ccc(cc6C)-c7nc(on7)C,,ATQMRMGXINTJHV-UHFFFAOYSA-N
BMGC_DG07527,BMG_DG137764,C1=CC=C(C(=C1)C(=O)O)O,c1(C(=O)O)c(O)cccc1,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",YGSDEFSMJLZEOE-UHFFFAOYSA-N
BMGC_DG07528,BMG_DG137765,CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F,c12C(=NCC(N(c1ccc([N+]([O-])=O)c2)C)=O)c3c(F)cccc3,"InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3",PPTYJKAXVCCBDU-UHFFFAOYSA-N
BMGC_DG07529,BMG_DG137787,C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O,,"InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24)",YKGGGCXBWXHKIZ-UHFFFAOYSA-N
BMGC_DG07530,BMG_DG137788,,,,
BMGC_DG07531,BMG_DG137792,CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O,,"InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3",FAOZLTXFLGPHNG-UHFFFAOYSA-N
BMGC_DG07532,BMG_DG137795,C1=C(C(=O)NC(=O)N1)F,[nH]1c(c(F)c[nH]c1=O)=O,"InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)",GHASVSINZRGABV-UHFFFAOYSA-N
BMGC_DG07533,BMG_DG137800,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F,c1cc(OC(CCNC)c2ccccc2)ccc1C(F)(F)F,"InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3",RTHCYVBBDHJXIQ-UHFFFAOYSA-N
BMGC_DG07534,BMG_DG137805,,,,
BMGC_DG07535,BMG_DG137808,,O=C1c2c(C(N1)=O)c3c4n(c5c3cccc5)C6OC(CC6)n7c4c2c8c7cccc8,,OTPNDVKVEAIXTI-UHFFFAOYSA-N
BMGC_DG07536,BMG_DG137816,CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F,N1(c2c(ccc(C(F)(F)F)c2)Sc3c1cccc3)CCCN4CCN(CC4)CCOC(=O)CCCCCCCCC,"InChI=1S/C32H44F3N3O2S/c1-2-3-4-5-6-7-8-14-31(39)40-24-23-37-21-19-36(20-22-37)17-11-18-38-27-12-9-10-13-29(27)41-30-16-15-26(25-28(30)38)32(33,34)35/h9-10,12-13,15-16,25H,2-8,11,14,17-24H2,1H3",VIQCGTZFEYDQMR-UHFFFAOYSA-N
BMGC_DG07537,BMG_DG137818,C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NCC=C,c1(nc(NCC=C)nc(n1)NCC=C)N2CCN(CC2)C(c3ccc(cc3)F)c4ccc(cc4)F,"InChI=1S/C26H29F2N7/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33)",OBDOVFRMEYHSQB-UHFFFAOYSA-N
BMGC_DG07538,BMG_DG137820,CCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F,CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc42)C(F)(F)F)CC1,"InChI=1S/C29H38F3N3O2S/c1-2-3-4-5-11-28(36)37-21-20-34-18-16-33(17-19-34)14-8-15-35-24-9-6-7-10-26(24)38-27-13-12-23(22-25(27)35)29(30,31)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3",LRWSFOSWNAQHHW-UHFFFAOYSA-N
BMGC_DG07539,BMG_DG137824,,C(P(O)(O)=O)CN,,QQVDJLLNRSOCEL-UHFFFAOYSA-N
BMGC_DG07540,BMG_DG137836,C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O,S(c1cc2[nH]c(-c3ccccc3)nc2cc1)(=O)(=O)O,"InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18)",UVCJGUGAGLDPAA-UHFFFAOYSA-N
BMGC_DG07541,BMG_DG137841,,C1CCCCC1CCCCN(CCc2ccc(cc2)SC(C(O)=O)(C)C)C(NC3CCCCC3)=O,,PKNYXWMTHFMHKD-UHFFFAOYSA-N
BMGC_DG07542,BMG_DG137844,CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F,C=1(c2c(N(CCN(CC)CC)C(CN1)=O)ccc(c2)Cl)c3c(F)cccc3,"InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3",SAADBVWGJQAEFS-UHFFFAOYSA-N
BMGC_DG07543,BMG_DG137851,CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O,c1(c(ccc(c1)C(C(=O)O)C)-c2ccccc2)F,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)",SYTBZMRGLBWNTM-UHFFFAOYSA-N
BMGC_DG07544,BMG_DG137854,CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=N1)C=C(C=C4)OC,COc1ccc2Nc3c(ccc4c3c(-c2c1)nn4CCCN(C)C)[N+](=O)[O-],"InChI=1S/C19H21N5O3/c1-22(2)9-4-10-23-15-7-8-16(24(25)26)19-17(15)18(21-23)13-11-12(27-3)5-6-14(13)20-19/h5-8,11,20H,4,9-10H2,1-3H3",HZCWPKGYTCJSEB-UHFFFAOYSA-N
BMGC_DG07545,BMG_DG137856,,I1(OC(=O)c2ccccc21)(=O)O,,CQMJEZQEVXQEJB-UHFFFAOYSA-N
BMGC_DG07546,BMG_DG137857,CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OC(C)OC(=O)C,c1ccc(cc1)-c2ccc(C(C)C(OC(C)OC(C)=O)=O)cc2F,"InChI=1S/C19H19FO4/c1-12(19(22)24-14(3)23-13(2)21)16-9-10-17(18(20)11-16)15-7-5-4-6-8-15/h4-12,14H,1-3H3",ALIVXCSEERJYHU-UHFFFAOYSA-N
BMGC_DG07547,BMG_DG137865,C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F,C12(N(CNC1=O)c3ccccc3)CCN(CC2)CCCC(c4ccc(cc4)F)c5ccc(cc5)F,"InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)",QOYHHIBFXOOADH-UHFFFAOYSA-N
BMGC_DG07548,BMG_DG137868,CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F,c1(C(F)(F)F)c([N+]([O-])=O)ccc(NC(=O)C(C)C)c1,"InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)",MKXKFYHWDHIYRV-UHFFFAOYSA-N
BMGC_DG07549,BMG_DG137878,,c1(cc2c([nH]1)nccn2)-c3ccccc3,,ONJMAXYFHBVNTH-UHFFFAOYSA-N
BMGC_DG07550,BMG_DG137890,CC1=C(C(=CC=C1)O)O,c1(c(cccc1O)C)O,"InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3",PGSWEKYNAOWQDF-UHFFFAOYSA-N
BMGC_DG07551,BMG_DG137891,,c12c(N(CC3CC3)C(=O)CN=C1c4c(cccc4)F)ccc(c2)Cl,,OFVXPDXXVSGEPX-UHFFFAOYSA-N
BMGC_DG07552,BMG_DG137899,CN(CC1=CSC(=C1Cl)C(=O)NC2=C(C=C(C=C2OC)Cl)C(=O)NC3=NC=C(C=C3)Cl)C4=NCCO4,,"InChI=1S/C23H20Cl3N5O4S/c1-31(23-27-5-6-35-23)10-12-11-36-20(18(12)26)22(33)30-19-15(7-14(25)8-16(19)34-2)21(32)29-17-4-3-13(24)9-28-17/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,30,33)(H,28,29,32)",FBXIHZSULWMHJY-UHFFFAOYSA-N
BMGC_DG07553,BMG_DG137900,C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)(C3=CC=CC=C3F)N4C=CN=C4,C(n1cncc1)(c2c(F)cccc2)(c3ccc(cc3)F)c4ccccc4,"InChI=1S/C22H16F2N2/c23-19-12-10-18(11-13-19)22(26-15-14-25-16-26,17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-16H",QHMWCHQXCUNUAK-UHFFFAOYSA-N
BMGC_DG07554,BMG_DG137917,COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F,,"InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3",CJOFXWAVKWHTFT-UHFFFAOYSA-N
BMGC_DG07555,BMG_DG137918,CN1C[C@@H](C[C@]2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br,[C@]12([C@](N(C)C[C@@H](C1)COC(c3cc(Br)cnc3)=O)(Cc4cn(c5c4c2ccc5)C)[H])OC,"InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21-,24+/m1/s1",YSEXMKHXIOCEJA-FVFQAYNVSA-N
BMGC_DG07556,BMG_DG137921,CC(CCC1=CC2=C(C=C1)OCO2)NN,N(N)C(CCc1cc2OCOc2cc1)C,"InChI=1S/C11H16N2O2/c1-8(13-12)2-3-9-4-5-10-11(6-9)15-7-14-10/h4-6,8,13H,2-3,7,12H2,1H3",IBWPUTAKVGZXRB-UHFFFAOYSA-N
BMGC_DG07557,BMG_DG137926,CC[N+](C)(C)C(C)CC(C1=CC=CC=C1)C2=CC=CC=C2,c1(ccccc1)C(CC([N+](CC)(C)C)C)c2ccccc2,"InChI=1S/C20H28N/c1-5-21(3,4)17(2)16-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,5,16H2,1-4H3/q+1",JEJBJBKVPOWOQK-UHFFFAOYSA-N
BMGC_DG07558,BMG_DG137928,CC1=CNN=C1,n1[nH]cc(c1)C,"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)",RIKMMFOAQPJVMX-UHFFFAOYSA-N
BMGC_DG07559,BMG_DG137938,,C1(C(C(COC(c2cccnc2)=O)(COC(c3cccnc3)=O)CCC1)O)(COC(c4cccnc4)=O)COC(c5cccnc5)=O,,VRAHPESAMYMDQI-UHFFFAOYSA-N
BMGC_DG07560,BMG_DG137951,CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O,,"InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)",BPZSYCZIITTYBL-UHFFFAOYSA-N
BMGC_DG07561,BMG_DG137965,C(=O)([O-])P(=O)([O-])[O-],,"InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3",ZJAOAACCNHFJAH-UHFFFAOYSA-K
BMGC_DG07562,BMG_DG137979,C(=O)(O)P(=O)(O)O,P(C(O)=O)(O)(O)=O,"InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)",ZJAOAACCNHFJAH-UHFFFAOYSA-N
BMGC_DG07563,BMG_DG137982,CC1=CC(=C(C=C1)C(C)C)OCC2=NCCN2,CC(C)c1c(OCC2=NCCN2)cc(C)cc1,"InChI=1S/C14H20N2O/c1-10(2)12-5-4-11(3)8-13(12)17-9-14-15-6-7-16-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,16)",QRORCRWSRPKEHR-UHFFFAOYSA-N
BMGC_DG07564,BMG_DG138014,,O=C(Nc1ccccc1)c2cc3ccccc3oc2=O,,IMFBGZCBLOPVCJ-UHFFFAOYSA-N
BMGC_DG07565,BMG_DG138031,CC1=CC(=CC=C1)O,c1c(O)cccc1C,"InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3",RLSSMJSEOOYNOY-UHFFFAOYSA-N
BMGC_DG07566,BMG_DG138035,,[N+]([O-])(=O)c1ccc(-c2nc3nc(c(nn3c2)-c4ccccc4)-c5ccccc5)cc1,,DJMMARPQZKCTMW-UHFFFAOYSA-N
BMGC_DG07567,BMG_DG138063,C[C@H]1CC[C@@H](O[C@H]1[C@@H](C)C(=O)O)C[C@@H]2C[C@H]([C@H]([C@@]3(O2)[C@@H](C[C@@](O3)(C)[C@H]4CC[C@@](O4)(C)[C@H]5[C@H](C[C@@H](O5)[C@@H]6[C@H](C[C@H]([C@@](O6)(CO)O)C)C)C)C)C)OC,[C@]12([C@@H](C[C@@]([C@@]3(O[C@@]([C@]4([C@H](C[C@]([C@@]5([C@H](C[C@H]([C@@](O5)(CO)O)C)C)[H])(O4)[H])C)[H])(C)CC3)[H])(O1)C)C)[C@@H]([C@@H](C[C@](O2)(C[C@@]6(O[C@]([C@@H](C)CC6)([C@H](C(O)=O)C)[H])[H])[H])OC)C,"InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,37-,38-,39-,40+/m0/s1",DANUORFCFTYTSZ-SJSJOXFOSA-N
BMGC_DG07568,BMG_DG138067,CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+],S([O-])(=O)(=O)OCCCCCCCCCCCC.[Na+],"InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1",DBMJMQXJHONAFJ-UHFFFAOYSA-M
BMGC_DG07569,BMG_DG138069,C(=O)(N)OP(=O)([O-])[O-],,"InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)/p-2",FFQKYPRQEYGKAF-UHFFFAOYSA-L
BMGC_DG07570,BMG_DG138115,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N,N1(c2c(C(=O)Cc3c1cccc3)cccc2)C(=O)N,"InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)",CTRLABGOLIVAIY-UHFFFAOYSA-N
BMGC_DG07571,BMG_DG138125,C1CN(CCC1(C2=CC=CC=C2)C(=O)O)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4,C1(C(=O)O)(CCN(CC1)CCC(C#N)(c2ccccc2)c3ccccc3)c4ccccc4,"InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)",UFIVBRCCIRTJTN-UHFFFAOYSA-N
BMGC_DG07572,BMG_DG138127,CC1=NC2=C(N1)C(=O)N(C(=O)N2CC3=CC=CO3)C,o1cccc1Cn2c3c([nH]c(n3)C)c(n(c2=O)C)=O,"InChI=1S/C12H12N4O3/c1-7-13-9-10(14-7)16(6-8-4-3-5-19-8)12(18)15(2)11(9)17/h3-5H,6H2,1-2H3,(H,13,14)",KGQZGCIVHYLPBH-UHFFFAOYSA-N
BMGC_DG07573,BMG_DG138136,C1COC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-],,"InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2",PLHJDBGFXBMTGZ-UHFFFAOYSA-N
BMGC_DG07574,BMG_DG138139,C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN,[C@](C(=O)O)(Cc1cc(c(O)cc1)O)(NN)C,"InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1",TZFNLOMSOLWIDK-JTQLQIEISA-N
BMGC_DG07575,BMG_DG138145,,CCOC1=CC(=O)C(=O)c2ccccc12,,XPXODXIULRDWNT-UHFFFAOYSA-N
BMGC_DG07576,BMG_DG138149,,c1(ccco1)CN,,DDRPCXLAQZKBJP-UHFFFAOYSA-N
BMGC_DG07577,BMG_DG138163,C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl,S(c1cc(C(=O)O)c(cc1Cl)NCc2occc2)(=O)(=O)N,"InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)",ZZUFCTLCJUWOSV-UHFFFAOYSA-N
BMGC_DG07578,BMG_DG138167,,O=C1Nc2c(Cl)cccc2C1=O,,MPLXQMMMGDYXIT-UHFFFAOYSA-N
BMGC_DG07579,BMG_DG138170,CCCCC1=CN=C(C=C1)C(=O)O,n1c(C(=O)O)ccc(c1)CCCC,"InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)",DGMPVYSXXIOGJY-UHFFFAOYSA-N
BMGC_DG07580,BMG_DG138180,C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Br,c1cc(Cl)cc(Cl)c1C2(Cn3ncnc3)CC(Br)CO2,"InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2",HJJVPARKXDDIQD-UHFFFAOYSA-N
BMGC_DG07581,BMG_DG138194,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)O)CCC5=CC(=O)C=C[C@]35C)O,[C@@]12([C@@](C(COC(=O)CCCc3ccc(N(CCCl)CCCl)cc3)=O)(CC[C@]2([C@]4([C@]([C@@]5(C(=CC(=O)C=C5)CC4)C)([H])[C@H](C1)O)[H])[H])O)C,"InChI=1S/C35H45Cl2NO6/c1-33-14-12-26(39)20-24(33)8-11-27-28-13-15-35(43,34(28,2)21-29(40)32(27)33)30(41)22-44-31(42)5-3-4-23-6-9-25(10-7-23)38(18-16-36)19-17-37/h6-7,9-10,12,14,20,27-29,32,40,43H,3-5,8,11,13,15-19,21-22H2,1-2H3/t27-,28-,29-,32+,33-,34-,35-/m0/s1",HFVNWDWLWUCIHC-GUPDPFMOSA-N
BMGC_DG07582,BMG_DG138195,COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC,COc1c(ccc2c1CN3C(c4cc5OCOc5cc4CC3)C2)OC,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",VZTUIEROBZXUFA-UHFFFAOYSA-N
BMGC_DG07583,BMG_DG138197,C1CCC(CC1)(CC(=O)O)CN,C(=O)(CC1(CN)CCCCC1)O,"InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)",UGJMXCAKCUNAIE-UHFFFAOYSA-N
BMGC_DG07584,BMG_DG138203,CCOC(=O)C1=CC=C(C=C1)OC(=O)CCCCCN=C(N)N,c1(ccc(OC(CCCCCNC(N)=N)=O)cc1)C(OCC)=O,"InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)",YKGYIDJEEQRWQH-UHFFFAOYSA-N
BMGC_DG07585,BMG_DG138208,C1CNCC2=C1C(=O)NO2,C1NCc2c(c(no2)O)C1,"InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)",ZXRVKCBLGJOCEE-UHFFFAOYSA-N
BMGC_DG07586,BMG_DG138213,CC[N+](CC)(CC)CCOC1=C(C(=CC=C1)OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC,C(C)[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC,"InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3",OZLPUNFFCJDMJD-UHFFFAOYSA-N
BMGC_DG07587,BMG_DG138222,CC1=CC(=CC=C1)N2CC(OC2=O)CO,N1(c2cc(ccc2)C)CC(CO)OC1=O,"InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3",MXUNKHLAEDCYJL-UHFFFAOYSA-N
BMGC_DG07588,BMG_DG138230,CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCCO)I,N(C(=O)C)c1c(I)c(c(I)c(c1I)C(=O)NCCO)C(O)=O,"InChI=1S/C12H11I3N2O5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22)",OLAOYPRJVHUHCF-UHFFFAOYSA-N
BMGC_DG07589,BMG_DG138233,,,,
BMGC_DG07590,BMG_DG138236,C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F,N1(CCN(CCCc2ccccc2)CC1)CCOC(c3ccc(cc3)F)c4ccc(cc4)F,"InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2",NAUWTFJOPJWYOT-UHFFFAOYSA-N
BMGC_DG07591,BMG_DG138243,C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4,c1ccc(cc1)CCCN2CCN(CC2)CCOC(c3ccccc3)c4ccccc4,"InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2",RAQPOZGWANIDQT-UHFFFAOYSA-N
BMGC_DG07592,BMG_DG138251,,Cc1cc2nc([nH]c2cc1)-c3ccccn3,,HFYFOFMVURXVSD-UHFFFAOYSA-N
BMGC_DG07593,BMG_DG138277,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,C(C(CCCOc1c(ccc(c1)C)C)(C)C)(=O)O,"InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)",HEMJJKBWTPKOJG-UHFFFAOYSA-N
BMGC_DG07594,BMG_DG138280,CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN4CCOCC4,N1(c2c(ccc(NC(=O)OCC)c2)Sc3c1cccc3)C(CCN4CCOCC4)=O,"InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)",FUBVWMNBEHXPSU-UHFFFAOYSA-N
BMGC_DG07595,BMG_DG138292,,c1(nc(N)sc1)CC(O)=O,,DYCLHZPOADTVKK-UHFFFAOYSA-N
BMGC_DG07596,BMG_DG138294,CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC,,"InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3",CEAZRRDELHUEMR-UHFFFAOYSA-N
BMGC_DG07597,BMG_DG138296,,O=C(O)COc1ccccc1C2CCCCC2,,SIYNBMWECIIUOX-UHFFFAOYSA-N
BMGC_DG07598,BMG_DG138297,,OC(=O)c1c2cccc3c(n4c(c(cc1)c32)nc5c4cccc5)=O,,MYKOWOGZBMOVBJ-UHFFFAOYSA-N
BMGC_DG07599,BMG_DG138299,,c12c(CCC(C1)N)cccc2,,LCGFVWKNXLRFIF-UHFFFAOYSA-N
BMGC_DG07600,BMG_DG138300,CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C,C1(=C(c2ccc(N(C)C)cc2)c3ccc(cc3)N(C)C)C=CC(=[N+](C)C)C=C1,"InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1",LGLFFNDHMLKUMI-UHFFFAOYSA-N
BMGC_DG07601,BMG_DG138302,C1=CC(=C(C=C1O)C(=O)O)O,c1(C(=O)O)c(ccc(c1)O)O,"InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)",WXTMDXOMEHJXQO-UHFFFAOYSA-N
BMGC_DG07602,BMG_DG138303,,Oc1ccc(cc1)-c2nc(N)sc2,,QGSJYYIRAFRPIT-UHFFFAOYSA-N
BMGC_DG07603,BMG_DG138315,CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O,,"InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3",NLDDIKRKFXEWBK-UHFFFAOYSA-N
BMGC_DG07604,BMG_DG138316,C1=CC=C(C(=C1)C(=O)OCC(CO)O)NC2=C3C=CC(=CC3=NC=C2)Cl,c1(C(OCC(O)CO)=O)c(Nc2c3c(cc(cc3)Cl)ncc2)cccc1,"InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)",GWOFUCIGLDBNKM-UHFFFAOYSA-N
BMGC_DG07605,BMG_DG138317,CCCCCCCNC=O,CCCCCCCNC=O,"InChI=1S/C8H17NO/c1-2-3-4-5-6-7-9-8-10/h8H,2-7H2,1H3,(H,9,10)",YAUHDTOEJHVKJO-UHFFFAOYSA-N
BMGC_DG07606,BMG_DG138326,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2,,"InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)",BOVGTQGAOIONJV-UHFFFAOYSA-N
BMGC_DG07607,BMG_DG138329,C1=CC=C(C=C1)C(C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O,,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10?,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1",XUCIJNAGGSZNQT-SWRVSKMJSA-N
BMGC_DG07608,BMG_DG138332,C[S+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O,n1([C@H]2[C@@H]([C@@H]([C@H](O2)C[S@+](CC[C@@H](C([O-])=O)N)C)O)O)c3ncnc(c3nc1)N;n1(c2ncnc(c2nc1)N)[C@H]3[C@@H]([C@H](O)[C@@H](C[S@+](C)CC[C@H](N)C(=O)[O-])O3)O;[O-]C(=O)[C@@H](N)CC[S+](C)C[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n2cnc3c(N)ncnc32,"InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1",MEFKEPWMEQBLKI-AIRLBKTGSA-N;MEFKEPWMEQBLKI-TYYLHDHTSA-N;MEFKEPWMEQBLKI-FCKMPRQPSA-N
BMGC_DG07609,BMG_DG138337,,,,
BMGC_DG07610,BMG_DG138338,CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C,C1(=C(CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(N[C@@H]3CC[C@H](CC3)C)=O)C1=O)C)CC;N(C(=O)N[C@H]1CC[C@H](CC1)C)S(=O)(=O)c2ccc(cc2)CCNC(=O)N3C(C(=C(C3)C)CC)=O,"InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)",WIGIZIANZCJQQY-UHFFFAOYSA-N;WIGIZIANZCJQQY-UWUNEBHHSA-N;WIGIZIANZCJQQY-RUCARUNLSA-N
BMGC_DG07611,BMG_DG138345,,O=C1C(=O)c2ccc(c3c2c1ccc3[N+](=O)[O-])[N+](=O)[O-],,HKNXJYVCBQHLBT-UHFFFAOYSA-N
BMGC_DG07612,BMG_DG138354,CC1=CN=C(C=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3,S(NC(NC1CCCCC1)=O)(c2ccc(cc2)CCNC(c3ncc(nc3)C)=O)(=O)=O,"InChI=1S/C21H27N5O4S/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28)",ZJJXGWJIGJFDTL-UHFFFAOYSA-N
BMGC_DG07613,BMG_DG138367,C1=CC(=C(C=C1CCC(=O)O)O)O,c1(c(ccc(c1)CCC(=O)O)O)O,"InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)",DZAUWHJDUNRCTF-UHFFFAOYSA-N
BMGC_DG07614,BMG_DG138389,,C(SC(=N)N)c1cc(Cl)c(Cl)cc1,,LZTCFLDZLBOLDW-UHFFFAOYSA-N
BMGC_DG07615,BMG_DG138391,C(CC=O)CC=O,O=CCCCC=O,"InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2",SXRSQZLOMIGNAQ-UHFFFAOYSA-N
BMGC_DG07616,BMG_DG138393,,C(c1cccnc1)(=O)OCCCCC,,SYIRQWIOOCVBTC-UHFFFAOYSA-N
BMGC_DG07617,BMG_DG138406,,n1ccnc2c1nc(nc2N)N,,CITCTUNIFJOTHI-UHFFFAOYSA-N
BMGC_DG07618,BMG_DG138407,C1CC2=CC=CC=C2C(C3=CC=CC=C31)[NH2+]CCCCCCC(=O)O.[Cl-],O=C(O)CCCCCCNC1c2ccccc2CCc3ccccc31.Cl,"InChI=1S/C22H27NO2.ClH/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22;/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25);1H",VDPUXONTAVMIKZ-UHFFFAOYSA-N
BMGC_DG07619,BMG_DG138409,CCC1(CCC(=O)NC1=O)C2=CC=CC=C2,C1(NC(=O)CCC1(c2ccccc2)CC)=O,"InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)",JMBQKKAJIKAWKF-UHFFFAOYSA-N
BMGC_DG07620,BMG_DG138410,C1CC2=CC=CC=C2C(C3=CC=CC=C31)NCCCCCCC(=O)O,C1(c2c(CCc3c1cccc3)cccc2)NCCCCCCC(O)=O,"InChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)",ONNOFKFOZAJDHT-UHFFFAOYSA-N
BMGC_DG07621,BMG_DG138416,COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3,S(NC(NC1CCCCC1)=O)(c2ccc(cc2)CCNC(c3c(ccc(c3)Cl)OC)=O)(=O)=O,"InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)",ZNNLBTZKUZBEKO-UHFFFAOYSA-N
BMGC_DG07622,BMG_DG138429,CCCCCCCCCCP(=O)(C)C,CP(=O)(CCCCCCCCCC)C,"InChI=1S/C12H27OP/c1-4-5-6-7-8-9-10-11-12-14(2,3)13/h4-12H2,1-3H3",GSVLCKASFMVUSW-UHFFFAOYSA-N
BMGC_DG07623,BMG_DG138434,C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C,,"InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1",ANGKOCUUWGHLCE-UHFFFAOYSA-N
BMGC_DG07624,BMG_DG138435,,O=C1NC(=O)Cc2ccccc12,,QGNQEODJYRGEJX-UHFFFAOYSA-N
BMGC_DG07625,BMG_DG138441,,C(Cc1ccc(C)cc1)(=S)N2CCOCC2,,MLMDFWXUVWJOQH-UHFFFAOYSA-N
BMGC_DG07626,BMG_DG138448,CN(C)CCCN1C=C(C2=C1C=CC(=C2)OC)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54,,"InChI=1S/C26H26N4O3/c1-29(2)11-6-12-30-15-20(18-13-16(33-3)9-10-22(18)30)24-23(25(31)28-26(24)32)19-14-27-21-8-5-4-7-17(19)21/h4-5,7-10,13-15,27H,6,11-12H2,1-3H3,(H,28,31,32)",LLJJDLHGZUOMQP-UHFFFAOYSA-N
BMGC_DG07627,BMG_DG138452,CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CCC#N)CNC4=O,n1(c2c(cccc2)c3c4C(NCc4c5c6ccccc6n(c5c13)CCC#N)=O)C,"InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)",VWVYILCFSYNJHF-UHFFFAOYSA-N
BMGC_DG07628,BMG_DG138471,CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O,c1(c(O)c2c(c(O)c(c(c2cc1C)C(C)C)O)C=O)-c3c(cc4c(c3O)c(c(c(O)c4C(C)C)O)C=O)C;c1(c(cc2c(c(c(c(c2c1O)C=O)O)O)C(C)C)C)-c3c(c4c(cc3C)c(c(c(c4C=O)O)O)C(C)C)O;c1(c(c(c2c(c1C=O)c(c(c(c2)C)-c3c(cc4c(c3O)c(c(c(c4C(C)C)O)O)C=O)C)O)C(C)C)O)O,"InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3",QBKSWRVVCFFDOT-UHFFFAOYSA-N
BMGC_DG07629,BMG_DG138477,,N1(CC(N(CC1)C(=O)Cc2cc(c(cc2)Cl)Cl)CN3CCCC3)C(=O)OC,,HJUAKZYKCANOOZ-UHFFFAOYSA-N
BMGC_DG07630,BMG_DG138480,C1=CC(=C(C=C1[N+](=O)[O-])O)O,c1(cc(c(O)cc1)O)[N+](=O)[O-],"InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H",XJNPNXSISMKQEX-UHFFFAOYSA-N
BMGC_DG07631,BMG_DG138481,,,,
BMGC_DG07632,BMG_DG138484,C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)I)[O-])I)I)I)C(=O)[O-],,"InChI=1S/C20H8I4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)/p-2",LAINPTZBIXYTIZ-UHFFFAOYSA-L
BMGC_DG07633,BMG_DG138489,CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C,,"InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)",MFWNKCLOYSRHCJ-UHFFFAOYSA-N
BMGC_DG07634,BMG_DG138490,,CCCC(=O)Nc1ccc(cc1)S(N)(=O)=O,,ZQNHPPBUHNMQIO-UHFFFAOYSA-N
BMGC_DG07635,BMG_DG138501,,s1n(c(c2ccccc12)=O)C,,RDWXSJCICPOOKO-UHFFFAOYSA-N
BMGC_DG07636,BMG_DG138505,,C(=N)(NCCCc1ccccc1)N,,WIPPGLNWEIAUEV-UHFFFAOYSA-N
BMGC_DG07637,BMG_DG138514,CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C,c1c2-c(cc(C(C)C)ccc2C)c(c1)C,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",FWKQNCXZGNBPFD-UHFFFAOYSA-N
BMGC_DG07638,BMG_DG138517,COC1=CC=CC=C1OCC(CO)O,COc1ccccc1OCC(CO)O,"InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3",HSRJKNPTNIJEKV-UHFFFAOYSA-N
BMGC_DG07639,BMG_DG138518,,c1cc(nc(c1)N)C(=O)O,,NMCKJFCJIHCHIS-UHFFFAOYSA-N
BMGC_DG07640,BMG_DG138520,C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)Cl,,"InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)",WDZVGELJXXEGPV-UHFFFAOYSA-N
BMGC_DG07641,BMG_DG138522,,s1c(ncc1C)N,,GUABFMPMKJGSBQ-UHFFFAOYSA-N
BMGC_DG07642,BMG_DG138525,C1CCCN(CCC1)CCN=C(N)N,C(=N)(NCCN1CCCCCCC1)N,"InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)",ACGDKVXYNVEAGU-UHFFFAOYSA-N
BMGC_DG07643,BMG_DG138528,C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl,N(C(=N)N)C(Cc1c(Cl)cccc1Cl)=O,"InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)",INJOMKTZOLKMBF-UHFFFAOYSA-N
BMGC_DG07644,BMG_DG138530,CC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O)C,,"InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3",YHWNASRGLKJRJJ-UHFFFAOYSA-N
BMGC_DG07645,BMG_DG138531,C(=N)(N)N,C(=N)(N)N,"InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)",ZRALSGWEFCBTJO-UHFFFAOYSA-N
BMGC_DG07646,BMG_DG138550,,c1cc(c(cc1S(=O)(=O)N)Br)N,,KQEVQYJWCZRLTJ-UHFFFAOYSA-N
BMGC_DG07647,BMG_DG138571,C1CNCC(=C1)C(=O)O,C1CC=C(CN1)C(O)=O,"InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)",QTDZOWFRBNTPQR-UHFFFAOYSA-N
BMGC_DG07648,BMG_DG138575,CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CNC(C)(C)C)O)OC(=O)C3=CC=C(C=C3)C,C(Oc1c(OC(c2ccc(cc2)C)=O)ccc(c1)C(CNC(C)(C)C)O)(c3ccc(cc3)C)=O,"InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3",FZGVEKPRDOIXJY-UHFFFAOYSA-N
BMGC_DG07649,BMG_DG138578,,,,
BMGC_DG07650,BMG_DG138589,,,,
BMGC_DG07651,BMG_DG138590,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-],n1(c([nH]c(c(c1)C)=O)=O)[C@@H]2O[C@H](CO)[C@H](C2)N=[N+]=[N-],"InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1",HBOMLICNUCNMMY-XLPZGREQSA-N
BMGC_DG07652,BMG_DG138591,C1=CC=C(C(=C1)C(=O)OCCOCCO)NC2=CC=CC(=C2)C(F)(F)F,C(c1cc(Nc2c(C(=O)OCCOCCO)cccc2)ccc1)(F)(F)F,"InChI=1S/C18H18F3NO4/c19-18(20,21)13-4-3-5-14(12-13)22-16-7-2-1-6-15(16)17(24)26-11-10-25-9-8-23/h1-7,12,22-23H,8-11H2",XILVEPYQJIOVNB-UHFFFAOYSA-N
BMGC_DG07653,BMG_DG138595,CC1=NN=C(C2=CC3=C(C=C2C1)OCO3)C4=CC=C(C=C4)N,c1c(ccc(c1)N)C=2c3cc4OCOc4cc3CC(=NN2)C,"InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3",LFBZZHVSGAHQPP-UHFFFAOYSA-N
BMGC_DG07654,BMG_DG138604,CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2,c1c2cnccc2c(S(NCCNC)(=O)=O)cc1,"InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3",PJWUXKNZVMEPPH-UHFFFAOYSA-N
BMGC_DG07655,BMG_DG138616,,c1(ccccc1)CCCNC,,MLHBZVFOTDJTPK-UHFFFAOYSA-N
BMGC_DG07656,BMG_DG138618,CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3,N1(C(CNCC1)C)S(=O)(=O)c2c3ccncc3ccc2,"InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3",BDVFVCGFMNCYPV-UHFFFAOYSA-N
BMGC_DG07657,BMG_DG138621,,,,
BMGC_DG07658,BMG_DG138625,C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN,,"InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11/h1-4,6,8,14H,5,7,12H2",DCVZSHVZGVWQKV-UHFFFAOYSA-N
BMGC_DG07659,BMG_DG138627,,Nc1ncnc2c1c(-c3ccccc3)cn2-c4ccccc4,,AFVGAHBUCVDPPI-UHFFFAOYSA-N
BMGC_DG07660,BMG_DG138630,C1=CC=C2C(=C1)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl,c12c(Oc3ccccc3O1)c(c(Cl)c(c2Cl)Cl)Cl,InChI=1S/C12H4Cl4O2/c13-7-8(14)10(16)12-11(9(7)15)17-5-3-1-2-4-6(5)18-12/h1-4H,DJHHDLMTUOLVHY-UHFFFAOYSA-N
BMGC_DG07661,BMG_DG138631,CC(=CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C,N1(N(c2ccccc2)C(=O)C(C1=O)CC=C(C)C)c3ccccc3,"InChI=1S/C20H20N2O2/c1-15(2)13-14-18-19(23)21(16-9-5-3-6-10-16)22(20(18)24)17-11-7-4-8-12-17/h3-13,18H,14H2,1-2H3",RBBWCVQDXDFISW-UHFFFAOYSA-N
BMGC_DG07662,BMG_DG138633,C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN=C(N)N,,"InChI=1S/C12H15N5O2S/c13-12(14)16-6-7-17-20(18,19)11-3-1-2-9-8-15-5-4-10(9)11/h1-5,8,17H,6-7H2,(H4,13,14,16)",MZNDNBFMSVMUCX-UHFFFAOYSA-N
BMGC_DG07663,BMG_DG138637,C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3,C1CCN(CCN1)S(c2cccc3c2ccnc3)(=O)=O,"InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2",NGOGFTYYXHNFQH-UHFFFAOYSA-N
BMGC_DG07664,BMG_DG138638,CCCC(CCC)C(=O)[O-],,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1",NIJJYAXOARWZEE-UHFFFAOYSA-M
BMGC_DG07665,BMG_DG138644,,COc1ccc(cc1)-c2ccc(-c3ccc(cc3)OC)s2,,SNVBIBDQUGLRIV-UHFFFAOYSA-N
BMGC_DG07666,BMG_DG138653,C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F,C1(CCN(CC1)CCCC(c2ccc(cc2)F)=O)(c3ccc(cc3)Cl)O,"InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2",LNEPOXFFQSENCJ-UHFFFAOYSA-N
BMGC_DG07667,BMG_DG138660,C1=C(C(=CC(=C1Cl)Cl)Cl)OCC#CI,C(#CI)COc1cc(Cl)c(cc1Cl)Cl,"InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2",CTETYYAZBPJBHE-UHFFFAOYSA-N
BMGC_DG07668,BMG_DG138661,C(C(F)(F)F)(Cl)Br,C(C(Br)Cl)(F)(F)F,"InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H",BCQZXOMGPXTTIC-UHFFFAOYSA-N
BMGC_DG07669,BMG_DG138666,CC1=NCCC2=C1NC3=C2C=CC(=C3)OC,c12[nH]c3cc(OC)ccc3c1CCN=C2C,"InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3",RERZNCLIYCABFS-UHFFFAOYSA-N
BMGC_DG07670,BMG_DG138671,CN(C)C(=S)[S-],,"InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)/p-1",MZGNSEAPZQGJRB-UHFFFAOYSA-M
BMGC_DG07671,BMG_DG138672,CC1=CNC(=O)N(C1=O)CCCN2CCN(CC2)C3=CC=CC=C3OCC(F)(F)F,,"InChI=1S/C20H25F3N4O3/c1-15-13-24-19(29)27(18(15)28)8-4-7-25-9-11-26(12-10-25)16-5-2-3-6-17(16)30-14-20(21,22)23/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,24,29)",RCOBWVAGWYRNHZ-UHFFFAOYSA-N
BMGC_DG07672,BMG_DG138684,CCOC1=CC2=C(C=C1)C=CC(=O)O2,c1(ccc2c(c1)oc(=O)cc2)OCC,"InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3",LIFAQMGORKPVDH-UHFFFAOYSA-N
BMGC_DG07673,BMG_DG138689,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8?/m1/s1",OVRNDRQMDRJTHS-KEWYIRBNSA-N
BMGC_DG07674,BMG_DG138693,,C(CCCCCCCCCCCCCCC)S(=O)(=O)F,,QIVFMUVBIHIZAM-UHFFFAOYSA-N
BMGC_DG07675,BMG_DG138700,C1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I,c1(c(c(NC(CCOCCOCCOCCOCCC(Nc2c(c(C(=O)O)c(cc2I)I)I)=O)=O)c(cc1I)I)I)C(=O)O,"InChI=1S/C26H26I6N2O10/c27-13-11-15(29)23(21(31)19(13)25(37)38)33-17(35)1-3-41-5-7-43-9-10-44-8-6-42-4-2-18(36)34-24-16(30)12-14(28)20(22(24)32)26(39)40/h11-12H,1-10H2,(H,33,35)(H,34,36)(H,37,38)(H,39,40)",WWVAPFRKZMUPHZ-UHFFFAOYSA-N
BMGC_DG07676,BMG_DG138714,CC1=NN(C2=C1C(=NCC(=O)N2C)C3=CC=CC=C3F)C,c12c(C(=NCC(N1C)=O)c3c(F)cccc3)c(C)nn2C,"InChI=1S/C15H15FN4O/c1-9-13-14(10-6-4-5-7-11(10)16)17-8-12(21)19(2)15(13)20(3)18-9/h4-7H,8H2,1-3H3",GDSCFOSHSOWNDL-UHFFFAOYSA-N
BMGC_DG07677,BMG_DG138726,COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)F,c1(nc2ccc(cc2[nH]1)C(c3ccc(cc3)F)=O)NC(=O)OC,"InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)",CPEUVMUXAHMANV-UHFFFAOYSA-N
BMGC_DG07678,BMG_DG138727,COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3CC3,c12c([nH]c(n1)NC(OC)=O)ccc(c2)C(C3CC3)=O,"InChI=1S/C13H13N3O3/c1-19-13(18)16-12-14-9-5-4-8(6-10(9)15-12)11(17)7-2-3-7/h4-7H,2-3H2,1H3,(H2,14,15,16,18)",OXLKOMYHDYVIDM-UHFFFAOYSA-N
BMGC_DG07679,BMG_DG138728,CC1([C@H]([C@@H](C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5)C,N1(CCCC1)CCOc2ccc(cc2)[C@H]3[C@@H](C(Oc4cc(ccc34)OC)(C)C)c5ccccc5;C1(Oc2c(ccc(c2)OC)[C@H]([C@@H]1c3ccccc3)c4ccc(OCCN5CCCC5)cc4)(C)C,"InChI=1S/C30H35NO3/c1-30(2)29(23-9-5-4-6-10-23)28(26-16-15-25(32-3)21-27(26)34-30)22-11-13-24(14-12-22)33-20-19-31-17-7-8-18-31/h4-6,9-16,21,28-29H,7-8,17-20H2,1-3H3/t28-,29+/m1/s1",XZEUAXYWNKYKPL-WDYNHAJCSA-N
BMGC_DG07680,BMG_DG138729,,NCCCNc1ccccc1[N+](=O)[O-],,GVGDDEYVTBKACE-UHFFFAOYSA-N
BMGC_DG07681,BMG_DG138734,C1=CC(=C(C=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl,c1(-c2c(cc(Cl)c(c2)Cl)Cl)cc(c(Cl)cc1)Cl,InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H,IUTPYMGCWINGEY-UHFFFAOYSA-N
BMGC_DG07682,BMG_DG138745,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,,"InChI=1S/C14H18N4O3.C10H11N3O3S/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2-6H,11H2,1H3,(H,12,13)",WZRJTRPJURQBRM-UHFFFAOYSA-N
BMGC_DG07683,BMG_DG138748,CC(C)CC(=O)[O-],,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1",GWYFCOCPABKNJV-UHFFFAOYSA-M
BMGC_DG07684,BMG_DG138767,C1=C(C=C(C=C1O)O)O,c1(cc(cc(c1)O)O)O,"InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H",QCDYQQDYXPDABM-UHFFFAOYSA-N
BMGC_DG07685,BMG_DG138768,CC(CCCC(C)(C)O)N,CC(CCCC(O)(C)C)N,"InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3",LREQLEBVOXIEOM-UHFFFAOYSA-N
BMGC_DG07686,BMG_DG138778,CC(C1=CC(=C(C=C1)N2CC=CC2)Cl)C(=O)O,c1(N2CC=CC2)c(cc(cc1)C(C(=O)O)C)Cl,"InChI=1S/C13H14ClNO2/c1-9(13(16)17)10-4-5-12(11(14)8-10)15-6-2-3-7-15/h2-5,8-9H,6-7H2,1H3,(H,16,17)",PIDSZXPFGCURGN-UHFFFAOYSA-N
BMGC_DG07687,BMG_DG138789,C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl,c1(Cc2c(c(Cl)cc(c2O)Cl)Cl)c(c(Cl)cc(c1O)Cl)Cl,"InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2",ACGUYXCXAPNIKK-UHFFFAOYSA-N
BMGC_DG07688,BMG_DG138790,,Cc1ccccc1-c2cccc(CCN)c2,,KQRAKUVQYREATE-UHFFFAOYSA-N
BMGC_DG07689,BMG_DG138791,CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C,C(CCCCCOP(OCC[N+](C)(C)C)(=O)[O-])CCCCCCCCCC,"InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3",PQLXHQMOHUQAKB-UHFFFAOYSA-N
BMGC_DG07690,BMG_DG138793,C[N+](C)(CCCCCC[N+](C)(C)C1C2=CC=CC=C2C3=CC=CC=C13)C4C5=CC=CC=C5C6=CC=CC=C46,C1(c2c(cccc2)-c3c1cccc3)[N+](CCCCCC[N+](C4c5c(cccc5)-c6c4cccc6)(C)C)(C)C,"InChI=1S/C36H42N2/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3/q+2",HDZAQYPYABGTCL-UHFFFAOYSA-N
BMGC_DG07691,BMG_DG138796,C1CCC(CC1)[Si](CCCN2CCCCC2)(C3=CC=CC=C3)O,[Si](c1ccccc1)(C2CCCCC2)(O)CCCN3CCCCC3,"InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2",QTBCATBNRIYMPB-UHFFFAOYSA-N
BMGC_DG07692,BMG_DG138804,C[N+](C)(C)CCCCCC[N+](C)(C)C,[N+](CCCCCC[N+](C)(C)C)(C)(C)C,"InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2",VZJFGSRCJCXDSG-UHFFFAOYSA-N
BMGC_DG07693,BMG_DG138806,C1CCCNC(CC1)CN=C(N)N,C1CCCCCC(CNC(N)=N)N1,"InChI=1S/C9H20N4/c10-9(11)13-7-8-5-3-1-2-4-6-12-8/h8,12H,1-7H2,(H4,10,11,13)",ZCVAIGPGEINFCX-UHFFFAOYSA-N
BMGC_DG07694,BMG_DG138808,CCC(C1=CC=C(C=C1)O)C(CC)C2=CC=C(C=C2)O,,"InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3",PBBGSZCBWVPOOL-UHFFFAOYSA-N
BMGC_DG07695,BMG_DG138809,C1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN,c1cc(ccc1)C(c2ccccc2)OCCN,"InChI=1S/C15H17NO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2",NFJFUDGBWGXTHS-UHFFFAOYSA-N
BMGC_DG07696,BMG_DG138813,CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)N,N1(CN(CC(CC)CCCC)CC(C1)(N)C)CC(CC)CCCC,"InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3",DTOUUUZOYKYHEP-UHFFFAOYSA-N
BMGC_DG07697,BMG_DG138817,CC1(C(=O)NC(=O)N(C1=O)C)C2=CCCCC2,N1(C(C(C(=O)NC1=O)(C2=CCCCC2)C)=O)C,"InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)",UYXAWHWODHRRMR-UHFFFAOYSA-N
BMGC_DG07698,BMG_DG138824,C1=CC(=C(C=C1C(CNCCCCCCNCC(C2=CC(=C(C=C2)O)O)O)O)O)O,c1c(c(O)ccc1C(O)CNCCCCCCNCC(c2cc(O)c(cc2)O)O)O,"InChI=1S/C22H32N2O6/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16/h5-8,11-12,21-30H,1-4,9-10,13-14H2",OXLZNBCNGJWPRV-UHFFFAOYSA-N
BMGC_DG07699,BMG_DG138830,CCCCCCC1=C(C=C(C=C1)O)O,c1(cc(O)ccc1CCCCCC)O,"InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3",WFJIVOKAWHGMBH-UHFFFAOYSA-N
BMGC_DG07700,BMG_DG138834,CN(C)CC(OC1=CC=CC=C1)OC2=CC=CC=C2,C(Oc1ccccc1)(Oc2ccccc2)CN(C)C,"InChI=1S/C16H19NO2/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3",QNMGHBMGNRQPNL-UHFFFAOYSA-N
BMGC_DG07701,BMG_DG138835,CC(C)C1=CC(=O)C(=CC=C1)O,c1(cc(c(=O)ccc1)O)C(C)C,"InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)",FUWUEFKEXZQKKA-UHFFFAOYSA-N
BMGC_DG07702,BMG_DG138842,C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O,C1C=C(O[C@]([C@@H]1N)([H])O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@]3([C@@H]([C@H]([C@](CO3)(O)C)NC)O)[H])N)N)CN,"InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1",URWAJWIAIPFPJE-YFMIWBNJSA-N
BMGC_DG07703,BMG_DG138848,CCCCN(CCN(CC)CC)C(=O)C1=CC=CC2=CC=CC=C21,c12c(C(N(CCN(CC)CC)CCCC)=O)cccc1cccc2,"InChI=1S/C21H30N2O/c1-4-7-15-23(17-16-22(5-2)6-3)21(24)20-14-10-12-18-11-8-9-13-19(18)20/h8-14H,4-7,15-17H2,1-3H3",WWGZXRYELYWJBD-UHFFFAOYSA-N
BMGC_DG07704,BMG_DG138856,CN1C=C(N=C1)CCN,c1(cn(C)cn1)CCN,"InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3",FHQDWPCFSJMNCT-UHFFFAOYSA-N
BMGC_DG07705,BMG_DG138857,C1=CC(=CC=C1[C@@H](C(=O)O)N)O,C([C@H](c1ccc(cc1)O)N)(=O)O,"InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1",LJCWONGJFPCTTL-ZETCQYMHSA-N
BMGC_DG07706,BMG_DG138866,,c12c(C(c3c(cc(cc3C1=O)O)O)=O)c(cc(c2)C(=O)O)O,,ZJXVNNSMRGTDBI-UHFFFAOYSA-N
BMGC_DG07707,BMG_DG138882,C1=CC(=C(C=C1C2=CC(=C(C=C2)Cl)Cl)Cl)Cl,c1c(c(cc(c1)-c2ccc(c(c2)Cl)Cl)Cl)Cl,InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H,UQMGJOKDKOLIDP-UHFFFAOYSA-N
BMGC_DG07708,BMG_DG138883,C1=CC(=C(C=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl,c1c(-c2ccc(Cl)c(Cl)c2Cl)cc(Cl)c(Cl)c1,InChI=1S/C12H5Cl5/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5H,WIDHRBRBACOVOY-UHFFFAOYSA-N
BMGC_DG07709,BMG_DG138898,CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O,,"InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3",ZTVIKZXZYLEVOL-UHFFFAOYSA-N
BMGC_DG07710,BMG_DG138903,CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N,c1(c2c(c3ccc(cc3[n+]1CC)N)ccc(c2)N)-c4ccccc4,"InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1",QTANTQQOYSUMLC-UHFFFAOYSA-O
BMGC_DG07711,BMG_DG138915,,c12c3CCN(C)[C@@H]1Cc4cc(c(O)cc4)Oc5ccc(cc5)C[C@H]6c7c(cc(c(O)c7Oc(c(c3)OC)c2)OC)CCN6C,,LFFQVHXIFJLJSP-IZLXSDGUSA-N
BMGC_DG07712,BMG_DG138918,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)O)C,C1CCCCCN1C=N[C@H]2[C@]3([H])N(C2=O)[C@H](C(C)(C)S3)C(=O)O,"InChI=1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/t10-,11+,13-/m1/s1",BWWVAEOLVKTZFQ-NTZNESFSSA-N
BMGC_DG07713,BMG_DG138922,CC(CCC(=O)C1=COC=C1)O,c1(C(=O)CCC(O)C)cocc1,"InChI=1S/C9H12O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-7,10H,2-3H2,1H3",RJYQLMILDVERHH-UHFFFAOYSA-N
BMGC_DG07714,BMG_DG138925,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N,[C@@H]1([C@@H]([C@@H](O[C@@]2([C@@H]([C@@H](N)[C@@H]([C@H](O2)CO)O)O)[H])[C@@H](C[C@@H]1N)N)O)O[C@]3(O[C@H](CN)[C@H](C[C@H]3N)O)[H],"InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1",NLVFBUXFDBBNBW-PBSUHMDJSA-N
BMGC_DG07715,BMG_DG138929,C1CN(CC1C2=CC=CC=C2)CCC(=O)C3=CC4=C(C=C3)OCCO4,N1(CC(c2ccccc2)CC1)CCC(c3cc4OCCOc4cc3)=O,"InChI=1S/C21H23NO3/c23-19(17-6-7-20-21(14-17)25-13-12-24-20)9-11-22-10-8-18(15-22)16-4-2-1-3-5-16/h1-7,14,18H,8-13,15H2",GZIISXIDAZYOLI-UHFFFAOYSA-N
BMGC_DG07716,BMG_DG138933,,O=C1OCc2c(-c3ccc4OCOc4c3)c5cc6OCOc6cc5cc21,,VSMWRDYVLPCABE-UHFFFAOYSA-N
BMGC_DG07717,BMG_DG138935,CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C,[C@@]12([C@@]([C@@]3(CO[C@@]3(C[C@@H]1O)[H])OC(=O)C)([C@@H]([C@@]4(C[C@@H](C(=C([C@H](C2=O)OC(=O)C)C4(C)C)C)OC([C@@H]([C@@H](NC(=O)c5ccccc5)c6ccccc6)O)=O)O)OC(=O)c7ccccc7)[H])C;O[C@H]1C[C@]2(OC[C@@]2(OC(=O)C)[C@@]3([C@@]1(C([C@@H](C4=C(C)[C@@H](OC([C@@H]([C@@H](NC(=O)c5ccccc5)c6ccccc6)O)=O)C[C@]([C@H]3OC(=O)c7ccccc7)(O)C4(C)C)OC(=O)C)=O)C)[H])[H],"InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1",RCINICONZNJXQF-MZXODVADSA-N
BMGC_DG07718,BMG_DG138939,CC1=CC(=C(C=C1)N=CN(C)C=NC2=C(C=C(C=C2)C)C)C,c1(c(cc(C)cc1)C)/N=C/N(/C=N/c2c(cc(C)cc2)C)C,"InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3",QXAITBQSYVNQDR-UHFFFAOYSA-N;QXAITBQSYVNQDR-ZIOPAAQOSA-N
BMGC_DG07719,BMG_DG138952,CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2,,"InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3",NPUKDXXFDDZOKR-UHFFFAOYSA-N
BMGC_DG07720,BMG_DG138953,CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O,c12c(sc3c(c1=O)cccc3)c(CO)ccc2NCCN(CC)CC,"InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3",MFZWMTSUNYWVBU-UHFFFAOYSA-N
BMGC_DG07721,BMG_DG138963,C1=CC=C2C(=C1)C=NN=C2NN,c1(nncc2c1cccc2)NN,"InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)",RPTUSVTUFVMDQK-UHFFFAOYSA-N
BMGC_DG07722,BMG_DG138966,,C(COc1cc2ccc(nc2c(c1)NS(=O)(=O)c3ccc(cc3)C)C)(=O)OCC,,KCASTCXJTDRDFT-UHFFFAOYSA-N
BMGC_DG07723,BMG_DG138970,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,S1(NCNc2c1cc(c(c2)Cl)S(=O)(=O)N)(=O)=O,"InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)",JZUFKLXOESDKRF-UHFFFAOYSA-N
BMGC_DG07724,BMG_DG138976,,C(N)(CN)C(=O)O,,PECYZEOJVXMISF-UHFFFAOYSA-N
BMGC_DG07725,BMG_DG138978,C1=CC=C(C=C1)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl,c1(-c2ccccc2)c(c(c(Cl)c(c1)Cl)Cl)Cl,InChI=1S/C12H6Cl4/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15/h1-6H,HLQDGCWIOSOMDP-UHFFFAOYSA-N
BMGC_DG07726,BMG_DG138988,,C(Nc1ccc(Oc2c(C)nccc2)nc1)(=O)N3c4c(CC3)cc(C)c(Cl)c4,,GIUZEIJUFOPTMR-UHFFFAOYSA-N
BMGC_DG07727,BMG_DG138989,,Cc1cccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)c1,,DNULYRGWTFLJQL-UHFFFAOYSA-N
BMGC_DG07728,BMG_DG138991,C1=CC(=C(C=C1O)C(C(=O)O)N)Cl,C(C(O)=O)(N)c1c(Cl)ccc(O)c1,"InChI=1S/C8H8ClNO3/c9-6-2-1-4(11)3-5(6)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)",UNIDAFCQFPGYJJ-UHFFFAOYSA-N
BMGC_DG07729,BMG_DG138993,C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O,[C@]12([C@@H](c3cc4OCOc4cc3[C@H]([C@]1(C(=O)OC2)[H])c5cc(OC)c(c(c5)OC)O)O[C@]6([C@@H]([C@@H](O)[C@]7([C@](O6)(CO[C@@H](C)O7)[H])[H])O)[H])[H],"InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1",VJJPUSNTGOMMGY-MRVIYFEKSA-N
BMGC_DG07730,BMG_DG138995,C1NC2=C(C=C(C(=C2)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N1,S1(c2cc(S(=O)(=O)N)c(cc2NCN1)C(F)(F)F)(=O)=O,"InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)",DMDGGSIALPNSEE-UHFFFAOYSA-N
BMGC_DG07731,BMG_DG139014,CC(CC1=CC=C(C=C1)O)N,c1(CC(N)C)ccc(cc1)O,"InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3",GIKNHHRFLCDOEU-UHFFFAOYSA-N
BMGC_DG07732,BMG_DG139015,CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)N,,"InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1",ADNPLDHMAVUMIW-CUZNLEPHSA-N
BMGC_DG07733,BMG_DG139016,CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)Cl,c1cc2n(c(c(c2cc1C(C)C)SC(C)(C)C)CC(C(O)=O)(C)C)Cc3ccc(Cl)cc3,"InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)",QAOAOVKBIIKRNL-UHFFFAOYSA-N
BMGC_DG07734,BMG_DG139018,CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO,c12c(NC(CCCN(CCO)CC)C)ccnc1cc(cc2)Cl,"InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)",XXSMGPRMXLTPCZ-UHFFFAOYSA-N
BMGC_DG07735,BMG_DG139019,CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6,,"InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)",XLXSAKCOAKORKW-UHFFFAOYSA-N
BMGC_DG07736,BMG_DG139020,,O=C1OC(O)Cc2c1c3CC(C)(C)Cc3c(O)c2C=O,,BDEDPKFUFGCVCJ-UHFFFAOYSA-N
BMGC_DG07737,BMG_DG139021,,N1c2c(Nc3c(C1=O)cccc3)ccc(c2)Cl,,YVWNDABPZGGQFE-UHFFFAOYSA-N
BMGC_DG07738,BMG_DG139026,C1CN(CCN1CC(C(C2=CC=CC=C2)C3=CC=CC=C3)O)C4=CC(=CC=C4)Cl,c1c(cc(cc1)Cl)N2CCN(CC2)CC(C(c3ccccc3)c4ccccc4)O,"InChI=1S/C25H27ClN2O/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24-25,29H,14-17,19H2",QJHCTHPYUOXOGM-UHFFFAOYSA-N
BMGC_DG07739,BMG_DG139029,C1CC(C2=C(C3=CC=CC=C3N=C2C1)N)O,OC1c2c(CCC1)nc3c(cccc3)c2N,"InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)",HLVVITIHAZBPKB-UHFFFAOYSA-N
BMGC_DG07740,BMG_DG139032,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)CO,CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)CO,"InChI=1S/C12H18N2O4S/c1-2-3-8-13-12(16)14-19(17,18)11-6-4-10(9-15)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H2,13,14,16)",SJRHYONYKZIRPM-UHFFFAOYSA-N
BMGC_DG07741,BMG_DG139038,C(=O)(N)NO,C(=O)(NO)N,"InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)",VSNHCAURESNICA-UHFFFAOYSA-N
BMGC_DG07742,BMG_DG139039,,CC=1C2([C@@](C)(O)C(=O)C=3C1C=C(C)C3)CC2,,HLAKJNQXUARACO-ZDUSSCGKSA-N
BMGC_DG07743,BMG_DG139041,CC1=CC(=O)NS(=O)(=O)O1,S1(NC(=O)C=C(O1)C)(=O)=O,"InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)",YGCFIWIQZPHFLU-UHFFFAOYSA-N
BMGC_DG07744,BMG_DG139043,C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,N1(C(c2ccc(cc2)Cl)c3ccccc3)CCN(CC1)CCOCCO,"InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2",ZQDWXGKKHFNSQK-UHFFFAOYSA-N
BMGC_DG07745,BMG_DG139055,C[C@H](CC1=CC=CC=C1)NC,N([C@@H](Cc1ccccc1)C)C,"InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m1/s1",MYWUZJCMWCOHBA-SECBINFHSA-N
BMGC_DG07746,BMG_DG139059,CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3,,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3",RKUNBYITZUJHSG-UHFFFAOYSA-N
BMGC_DG07747,BMG_DG139062,C1=CC2=C(C=C1Cl)OC3=CC(=C(C=C3O2)Cl)Cl,c1c2c(cc(c1Cl)Cl)Oc3c(O2)ccc(c3)Cl,InChI=1S/C12H5Cl3O2/c13-6-1-2-9-10(3-6)17-12-5-8(15)7(14)4-11(12)16-9/h1-5H,ZSIZNEVHVVRPFF-UHFFFAOYSA-N
BMGC_DG07748,BMG_DG139063,CCCC1=C(C(=NC(=C1C(=O)SCC)CC)C2=CC=CC=C2)C(=O)OCCC,c1(c(c(c(c(n1)CC)C(=O)SCC)CCC)C(=O)OCCC)-c2ccccc2,"InChI=1S/C23H29NO3S/c1-5-12-17-19(23(26)28-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)22(25)27-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3",UUSHFEVEROROSP-UHFFFAOYSA-N
BMGC_DG07749,BMG_DG139070,,c1ccc(c(c1)C#N)Sc2ccccc2N,,RROSHIIMNNWHFW-UHFFFAOYSA-N
BMGC_DG07750,BMG_DG139074,CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O,c12c(c3c(cc(c4c3c5c1c(c6c7c(c(=O)c8c(c57)c4c(cc8O)C)c(cc6O)O)c(cc2O)O)C)O)=O,"InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3",YDOIFHVUBCIUHF-UHFFFAOYSA-N;BTXNYTINYBABQR-UHFFFAOYSA-N
BMGC_DG07751,BMG_DG139089,,C1(C(O)(c2ccc(cc2)F)CCN(C)C1)C(c3ccc(cc3)F)=O,,PPQZABOURJVKNI-UHFFFAOYSA-N
BMGC_DG07752,BMG_DG139098,CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)NCC4=CC(=CC=C4)I)O)O,,"InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)",HUJXGQILHAUCCV-UHFFFAOYSA-N
BMGC_DG07753,BMG_DG139101,,c1cc(C(CCN[C@H](C)c2ccccc2)c3ccccc3)ccc1,,NMKSAYKQLCHXDK-LJQANCHMSA-N
BMGC_DG07754,BMG_DG139110,,C1c2c(cccc2)C[C@H](C(O)=O)N1C(=O)[C@@H](N[C@H](C(OCC)=O)CCc3ccccc3)C,,JSDRRTOADPPCHY-BULFRSBZSA-N
BMGC_DG07755,BMG_DG139112,CCCCCC1=CC(=C(C(=C1)O)[C@H]2C=C(CC[C@@H]2C(=C)C)C)O,C(C)(=C)[C@@H]1[C@H](C=C(C)CC1)c2c(O)cc(CCCCC)cc2O,"InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m1/s1",QHMBSVQNZZTUGM-MSOLQXFVSA-N
BMGC_DG07756,BMG_DG139125,,,,
BMGC_DG07757,BMG_DG139161,CCC(=O)[C@]1(CC[C@@H]2[C@@]1(CCC3=C4CCC(=O)C=C4CC[C@@H]23)C)C,[C@]12([C@@](C(=O)CC)(CC[C@]1([C@@]3(CCC=4C(=C3CC2)CCC(=O)C4)[H])[H])C)C,"InChI=1S/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18-,19+,21+,22-/m1/s1",QFFCYTLOTYIJMR-XMGTWHOFSA-N
BMGC_DG07758,BMG_DG139162,CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)C,c1cn2nc(C(C)C)c(c2cc1)C(C(C)C)=O,"InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3",ZJVFLBOZORBYFE-UHFFFAOYSA-N
BMGC_DG07759,BMG_DG139163,C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,,"InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2",LSHVYAFMTMFKBA-UHFFFAOYSA-N
BMGC_DG07760,BMG_DG139166,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,C(C(c1ccc(CC(C)C)cc1)C)(=O)O,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)",HEFNNWSXXWATRW-UHFFFAOYSA-N
BMGC_DG07761,BMG_DG139171,,,,
BMGC_DG07762,BMG_DG139176,C1=CC=C(C=C1)CCNN,N(N)CCc1ccccc1,"InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2",RMUCZJUITONUFY-UHFFFAOYSA-N
BMGC_DG07763,BMG_DG139180,C1CC(NC1)C2=CC=CO2,,"InChI=1S/C8H11NO/c1-3-7(9-5-1)8-4-2-6-10-8/h2,4,6-7,9H,1,3,5H2",LIFJPSLQRGQNMM-UHFFFAOYSA-N
BMGC_DG07764,BMG_DG139181,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,c1(NC(=O)CN(CC)CC)c(cccc1C)C,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)",NNJVILVZKWQKPM-UHFFFAOYSA-N
BMGC_DG07765,BMG_DG139182,,c1ccc(C(O)=O)cc1C(=N)N,,WPNGNBVDEYRVGT-UHFFFAOYSA-N
BMGC_DG07766,BMG_DG139183,CC(C)(CC1=CC=CC=C1)NC,C(NC)(Cc1ccccc1)(C)C,"InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3",RXQCGGRTAILOIN-UHFFFAOYSA-N
BMGC_DG07767,BMG_DG139185,,C1(=CC(=O)C(c2c1cccc2)=O)Nc3ccc(cc3)OCC,,DDFJWWONBPVCPM-UHFFFAOYSA-N
BMGC_DG07768,BMG_DG139186,CCN(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2,N(CCCc1ccccc1)(CCCc2ccccc2)CC,"InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3",ZPFXAOWNKLFJDN-UHFFFAOYSA-N
BMGC_DG07769,BMG_DG139193,CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O,c1(c(ccc(c1)CCNC(CCc2ccc(cc2)O)C)O)O,"InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3",JRWZLRBJNMZMFE-UHFFFAOYSA-N
BMGC_DG07770,BMG_DG139195,OP(=O)([O-])[O-],P(=O)([O-])([O-])O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2",NBIIXXVUZAFLBC-UHFFFAOYSA-L
BMGC_DG07771,BMG_DG139197,CC1=C2CCCC2=C(C=C1)OCC(C(C)NC(C)C)O,,"InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3",VFIDUCMKNJIJTO-UHFFFAOYSA-N
BMGC_DG07772,BMG_DG139213,CN(C)CCC=C1C2=CC=CC=C2OCC3=C1OC4=CC=CC=C34,N(CCC=C1c2c(c3ccccc3o2)COc4c1cccc4)(C)C,"InChI=1S/C21H21NO2/c1-22(2)13-7-10-17-15-8-3-5-11-19(15)23-14-18-16-9-4-6-12-20(16)24-21(17)18/h3-6,8-12H,7,13-14H2,1-2H3",VZVRZTZPHOHSCK-UHFFFAOYSA-N
BMGC_DG07773,BMG_DG139218,CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO,C1(=C(C(=O)C(=C(C1=O)C)CCCCCCCCCCO)OC)OC,"InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3",JGPMMRGNQUBGND-UHFFFAOYSA-N
BMGC_DG07774,BMG_DG139229,CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3,c1c(ccc(C(C(N2CCC(CC2)Cc3ccccc3)C)O)c1)O,"InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3",UYNVMODNBIQBMV-UHFFFAOYSA-N
BMGC_DG07775,BMG_DG139232,C1CN(P(=O)(OC1)NCCCl)CCCl,P1(N(CCCl)CCCO1)(=O)NCCCl,"InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)",HOMGKSMUEGBAAB-UHFFFAOYSA-N
BMGC_DG07776,BMG_DG139233,,C(N1C(=O)C=CC1=O)COCCOCCN2C(=O)C=CC2=O,,FERLGYOHRKHQJP-UHFFFAOYSA-N
BMGC_DG07777,BMG_DG139235,,NC(Cc1c[nH]c2ccc(cc12)OC)C,,OGNJZVNNKBZFRM-UHFFFAOYSA-N
BMGC_DG07778,BMG_DG139237,COC(CN1CCN(CC1)CC(C(C2=CC=CC=C2)OC)O)C3=CC=CC=C3,C(CN1CCN(CC1)CC(c2ccccc2)OC)(C(c3ccccc3)OC)O,"InChI=1S/C23H32N2O3/c1-27-22(19-9-5-3-6-10-19)18-25-15-13-24(14-16-25)17-21(26)23(28-2)20-11-7-4-8-12-20/h3-12,21-23,26H,13-18H2,1-2H3",VSTNNAYSCJQCQI-UHFFFAOYSA-N
BMGC_DG07779,BMG_DG139239,C1=C(NC=N1)CCSC(=N)N,C(CSC(=N)N)c1cnc[nH]1,"InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)",PEHSVUKQDJULKE-UHFFFAOYSA-N
BMGC_DG07780,BMG_DG139240,CC(C)(C)NCC(COC1=CC=CC2=C1SCCC2)O,O(CC(CNC(C)(C)C)O)c1c2SCCCc2ccc1,"InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3",HTWFXPCUFWKXOP-UHFFFAOYSA-N
BMGC_DG07781,BMG_DG139241,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CSC=C3)C(=O)O)C(=O)O)C,N12[C@@]([C@H](NC([C@@H](c3cscc3)C(=O)O)=O)C1=O)(SC([C@@H]2C(=O)O)(C)C)[H],"InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1",OHKOGUYZJXTSFX-KZFFXBSXSA-N
BMGC_DG07782,BMG_DG139245,CC(=C)[C@H]1CCC(=CC1)CO,C1C[C@@H](CC=C1CO)C(C)=C,"InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1",NDTYTMIUWGWIMO-SNVBAGLBSA-N
BMGC_DG07783,BMG_DG139247,C1=CC(=C(C2=C1OC3=CC(=C(C=C3O2)Cl)Cl)Cl)Cl,c12c(Oc3cc(Cl)c(cc3O1)Cl)ccc(c2Cl)Cl,InChI=1S/C12H4Cl4O2/c13-5-1-2-8-12(11(5)16)18-10-4-7(15)6(14)3-9(10)17-8/h1-4H,YDZCLBKUTXYYKS-UHFFFAOYSA-N
BMGC_DG07784,BMG_DG139250,COC1=CC(=C(C=C1C(=O)CCCCN2CCC3(CC2)C(=O)NC(=O)N3)NS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)OC,O=C1C2(CCN(CCCCC(=O)c3c(OC)cc(OC)c(NS(c4ccc(C(F)(F)F)cc4)(=O)=O)c3)CC2)NC(=O)N1,"InChI=1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-8-6-17(7-9-18)27(28,29)30)15-19(22)21(35)5-3-4-12-34-13-10-26(11-14-34)24(36)31-25(37)32-26/h6-9,15-16,33H,3-5,10-14H2,1-2H3,(H2,31,32,36,37)",HZZZZODVDSHQRG-UHFFFAOYSA-N
BMGC_DG07785,BMG_DG139257,,c1ccc2c(c1)c3CC(=O)Nc4ccccc4-c3[nH]2,,VGMDAWVZNAXVDG-UHFFFAOYSA-N
BMGC_DG07786,BMG_DG139258,,,,
BMGC_DG07787,BMG_DG139260,CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)OC,,"InChI=1S/C17H14O4/c1-10-13(20-2)9-15-16(17(10)19)12(18)8-14(21-15)11-6-4-3-5-7-11/h3-9,19H,1-2H3",QXJMWAGIFVRLTO-UHFFFAOYSA-N
BMGC_DG07788,BMG_DG139261,CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31,N1(c2c(CCc3c1cccc3)cccc2)CCCN(C)C,"InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3",BCGWQEUPMDMJNV-UHFFFAOYSA-N
BMGC_DG07789,BMG_DG139264,CC(C)(C)NCC(C1=CC(=C(C=C1)O)NC(=O)N)O,c1(cc(c(O)cc1)NC(N)=O)C(CNC(C)(C)C)O,"InChI=1S/C13H21N3O3/c1-13(2,3)15-7-11(18)8-4-5-10(17)9(6-8)16-12(14)19/h4-6,11,15,17-18H,7H2,1-3H3,(H3,14,16,19)",KEMXXQOFIRIICG-UHFFFAOYSA-N
BMGC_DG07790,BMG_DG139265,C1=CN=CC=C1C2=CNC(=O)C(=C2)N,c1(c([nH]cc(c1)-c2ccncc2)=O)N,"InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)",RNLQIBCLLYYYFJ-UHFFFAOYSA-N
BMGC_DG07791,BMG_DG139272,C1CCCC(CC1)NC(P(=O)(O)O)P(=O)(O)O,C(P(O)(O)=O)(NC1CCCCCC1)P(=O)(O)O,"InChI=1S/C8H19NO6P2/c10-16(11,12)8(17(13,14)15)9-7-5-3-1-2-4-6-7/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15)",LWRDQHOZTAOILO-UHFFFAOYSA-N
BMGC_DG07792,BMG_DG139274,CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)NC(=O)CCl)OC)C,C[C@@]1(O[C@@H]1CC=C(C)C)[C@@]2([H])[C@H](OC)[C@H](OC(=O)NC(=O)CCl)CC[C@@]23OC3,"InChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18+,19+/m1/s1",MSHZHSPISPJWHW-PVDLLORBSA-N
BMGC_DG07793,BMG_DG139275,,,,
BMGC_DG07794,BMG_DG139276,C1=C(C=C(C(=C1O)O)O)C(=O)O,c1(c(cc(cc1O)C(=O)O)O)O,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",LNTHITQWFMADLM-UHFFFAOYSA-N
BMGC_DG07795,BMG_DG139278,,c12c(ncc(c1NCCCC)C(=O)OCC)n(CC)nc2,,IQNQAOGGWGCROX-UHFFFAOYSA-N
BMGC_DG07796,BMG_DG139279,CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N,CC1Cc2c(cccc2)N1NC(=O)c3ccc(Cl)c(c3)S(N)(=O)=O,"InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)",NDDAHWYSQHTHNT-UHFFFAOYSA-N
BMGC_DG07797,BMG_DG139283,C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl,c1c(c(cc(c1Cl)Cl)Cl)-c2c(cc(c(c2)Cl)Cl)Cl,InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H,MVWHGTYKUMDIHL-UHFFFAOYSA-N
BMGC_DG07798,BMG_DG139285,,C[C@@]12CCC(=O)c3coc(c13)C(=O)c4cc5c(cc42)C(=O)C=CC5=O,,SMGBXXZKAPMTBB-FQEVSTJZSA-N
BMGC_DG07799,BMG_DG139296,C1=CC2=C(C=C1S(=O)(=O)O)C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)O)O,C/1(=C\2/Nc3ccc(S(=O)(=O)O)cc3C2=O)\Nc4ccc(S(=O)(=O)O)cc4C1=O,"InChI=1S/C16H10N2O8S2/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14/h1-6,17,19H,(H,21,22,23)(H,24,25,26)",JMEVHYCNAPFOAB-UHFFFAOYSA-N;CFZXDJWFRVEWSR-BUHFOSPRSA-N
BMGC_DG07800,BMG_DG139311,,,,
BMGC_DG07801,BMG_DG139315,,,,
BMGC_DG07802,BMG_DG139319,C1=CC=C2C(=C1)C(=CN2)CO,c1(c[nH]c2c1cccc2)CO,"InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2",IVYPNXXAYMYVSP-UHFFFAOYSA-N
BMGC_DG07803,BMG_DG139338,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O,n1(c(c(c2cc(ccc12)OC)CC(=O)O)C)C(=O)c3ccc(cc3)Cl,"InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)",CGIGDMFJXJATDK-UHFFFAOYSA-N
BMGC_DG07804,BMG_DG139347,C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl,c1(c(cc(cc1)Cl)Cl)C(Cn2cncc2)OCC=C,"InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2",PZBPKYOVPCNPJY-UHFFFAOYSA-N
BMGC_DG07805,BMG_DG139351,CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O,N1(C(c2ccccc2C1)=O)c3ccc(C(C(=O)O)C)cc3,"InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)",RJMIEHBSYVWVIN-UHFFFAOYSA-N
BMGC_DG07806,BMG_DG139360,C1=CC(=CN=C1)C(=O)OC2C(C(C(C(C2OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6)OC(=O)C7=CN=CC=C7,[C@H]1([C@H]([C@H](OC(c2cnccc2)=O)[C@@H]([C@@H]([C@H]1OC(c3cnccc3)=O)OC(c4cnccc4)=O)OC(c5cnccc5)=O)OC(c6cnccc6)=O)OC(c7cnccc7)=O,"InChI=1S/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H",MFZCIDXOLLEMOO-UHFFFAOYSA-N;MFZCIDXOLLEMOO-GYSGTQPESA-N
BMGC_DG07807,BMG_DG139363,C1=CC=C2C(=C1)OC3=C(O2)C(=CC=C3)Cl,c12c(Oc3ccccc3O1)cccc2Cl,InChI=1S/C12H7ClO2/c13-8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,VGGGRWRBGXENKI-UHFFFAOYSA-N
BMGC_DG07808,BMG_DG139366,CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I,c1(c(c(NC(=O)C)c(c(c1I)CNC(=O)C)I)I)C(=O)O,"InChI=1S/C12H11I3N2O4/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)",VVDGWALACJEJKG-UHFFFAOYSA-N
BMGC_DG07809,BMG_DG139367,CC(=O)N(CC(CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I,c1(c(I)c(C(NCC(O)CO)=O)c(c(C(NCC(CO)O)=O)c1I)I)N(C(=O)C)CC(CN(C(=O)C)c2c(I)c(c(I)c(C(NCC(O)CO)=O)c2I)C(NCC(O)CO)=O)O,"InChI=1S/C35H44I6N6O15/c1-13(52)46(30-26(38)20(32(59)42-3-15(54)9-48)24(36)21(27(30)39)33(60)43-4-16(55)10-49)7-19(58)8-47(14(2)53)31-28(40)22(34(61)44-5-17(56)11-50)25(37)23(29(31)41)35(62)45-6-18(57)12-51/h15-19,48-51,54-58H,3-12H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62)",NBQNWMBBSKPBAY-UHFFFAOYSA-N
BMGC_DG07810,BMG_DG139380,CC(C)(COC(=O)N1CCN(CC1)C2=NC3=C(C(=C(C=C3C(=N2)N)OC)OC)OC)O,c1(nc(N)c2c(n1)c(c(c(OC)c2)OC)OC)N3CCN(C(OCC(O)(C)C)=O)CC3,"InChI=1S/C20H29N5O6/c1-20(2,27)11-31-19(26)25-8-6-24(7-9-25)18-22-14-12(17(21)23-18)10-13(28-3)15(29-4)16(14)30-5/h10,27H,6-9,11H2,1-5H3,(H2,21,22,23)",YNZXWQJZEDLQEG-UHFFFAOYSA-N
BMGC_DG07811,BMG_DG139387,C1=CC2=C(C(=C(C=C2I)I)O)N=C1,c12c(c(I)cc(c1cccn2)I)O,"InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",UXZFQZANDVDGMM-UHFFFAOYSA-N
BMGC_DG07812,BMG_DG139395,CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I,c1(c(c(C(NCC(O)CO)=O)c(c(c1I)C(NCC(O)CO)=O)I)I)N(C(=O)C)CC(O)CO,"InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)",NTHXOOBQLCIOLC-UHFFFAOYSA-N
BMGC_DG07813,BMG_DG139401,CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO,c1(c(c(C(NCC(O)CO)=O)c(c(c1I)C(NCC(O)CO)=O)I)I)N(C(=O)CO)C,"InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)",NJKDOADNQSYQEV-UHFFFAOYSA-N
BMGC_DG07814,BMG_DG139414,CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O,c1(c(c(N)c(cc1I)I)I)CC(C(=O)O)CC,"InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)",OIRFJRBSRORBCM-UHFFFAOYSA-N
BMGC_DG07815,BMG_DG139417,CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I,c1(c(c(NC(=O)COC)c(c(c1I)C(NCC(O)CO)=O)I)I)C(N(CC(O)CO)C)=O,"InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)",DGAIEPBNLOQYER-UHFFFAOYSA-N
BMGC_DG07816,BMG_DG139421,CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)N(C)C)C3=CC=CC=C3,N=1C(C(N(C)c2c(C1c3ccccc3)cc(cc2)Cl)=O)OC(N(C)C)=O,"InChI=1S/C19H18ClN3O3/c1-22(2)19(25)26-17-18(24)23(3)15-10-9-13(20)11-14(15)16(21-17)12-7-5-4-6-8-12/h4-11,17H,1-3H3",PXBVEXGRHZFEOF-UHFFFAOYSA-N
BMGC_DG07817,BMG_DG139425,CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I,c1(c(c(NC(=O)C)c(c(c1I)C(=O)O)I)I)C(=O)NC,"InChI=1S/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)",UXIGWFXRQKWHHA-UHFFFAOYSA-N
BMGC_DG07818,BMG_DG139427,CN(C1=C(C(=C(C(=C1I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I)C(=O)CC(=O)N(C)C2=C(C(=C(C(=C2I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I,c1(c(c(C(NC(C(O)CO)CO)=O)c(c(c1I)N(C(CC(N(c2c(c(C(NC(C(O)CO)CO)=O)c(c(c2I)C(NC(C(O)CO)CO)=O)I)I)C)=O)=O)C)I)I)C(NC(C(O)CO)CO)=O,"InChI=1S/C37H48I6N6O18/c1-48(32-28(40)22(34(64)44-12(4-50)16(58)8-54)26(38)23(29(32)41)35(65)45-13(5-51)17(59)9-55)20(62)3-21(63)49(2)33-30(42)24(36(66)46-14(6-52)18(60)10-56)27(39)25(31(33)43)37(67)47-15(7-53)19(61)11-57/h12-19,50-61H,3-11H2,1-2H3,(H,44,64)(H,45,65)(H,46,66)(H,47,67)",XUHXFSYUBXNTHU-UHFFFAOYSA-N
BMGC_DG07819,BMG_DG139436,C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I,c1(c(c(NC(=O)CCCCC(Nc2c(c(C(=O)O)c(cc2I)I)I)=O)c(cc1I)I)I)C(=O)O,"InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)",FFINMCNLQNTKLU-UHFFFAOYSA-N
BMGC_DG07820,BMG_DG139438,CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O.Cl,c12c3c(c(Cl)cc(c3)Cl)cc(c1ccc(C(F)(F)F)c2)C(CCN(CCCC)CCCC)O.Cl,"InChI=1S/C26H30Cl2F3NO.ClH/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23;/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3;1H",WANGFTDWOFGECH-UHFFFAOYSA-N
BMGC_DG07821,BMG_DG139439,CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O,c12c3c(c(Cl)cc(c3)Cl)cc(c1ccc(C(F)(F)F)c2)C(CCN(CCCC)CCCC)O,"InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3",FOHHNHSLJDZUGQ-UHFFFAOYSA-N
BMGC_DG07822,BMG_DG139447,C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO,c1(c(c(C(NCC(O)CO)=O)c(c(c1I)C(NCC(O)CO)=O)I)I)N(C(=O)CO)CCO,"InChI=1S/C18H24I3N3O9/c19-13-11(17(32)22-3-8(29)5-26)14(20)16(24(1-2-25)10(31)7-28)15(21)12(13)18(33)23-4-9(30)6-27/h8-9,25-30H,1-7H2,(H,22,32)(H,23,33)",AMDBBAQNWSUWGN-UHFFFAOYSA-N
BMGC_DG07823,BMG_DG139451,CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I,c1(c(c(C(=O)NC)c(c(c1I)C(NCC(Nc2c(c(C(=O)NCCO)c(c(c2I)C(=O)O)I)I)=O)=O)I)I)N(C(=O)C)C,"InChI=1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43)",TYYBFXNZMFNZJT-UHFFFAOYSA-N
BMGC_DG07824,BMG_DG139454,C1=CC=C(C(=C1)C(=O)O)O.C1=CN=CN1,c1(c(cccc1)O)C(O)=O.c1cnc[nH]1,"InChI=1S/C7H6O3.C3H4N2/c8-6-4-2-1-3-5(6)7(9)10;1-2-5-3-4-1/h1-4,8H,(H,9,10);1-3H,(H,4,5)",XCHHJFVNQPPLJK-UHFFFAOYSA-N
BMGC_DG07825,BMG_DG139456,CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCCO)I,c1(c(c(c(C(NCC(CO)O)=O)c(I)c1C(NCCO)=O)I)N(C(C)=O)CC(O)CO)I,"InChI=1S/C18H24I3N3O8/c1-8(28)24(5-10(30)7-27)16-14(20)11(17(31)22-2-3-25)13(19)12(15(16)21)18(32)23-4-9(29)6-26/h9-10,25-27,29-30H,2-7H2,1H3,(H,22,31)(H,23,32)",UUMLTINZBQPNGF-UHFFFAOYSA-N
BMGC_DG07826,BMG_DG139457,C1=CC=C2C(=C1)C(=CN2)CCC(=O)O,c12c(c[nH]c1cccc2)CCC(O)=O,"InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)",GOLXRNDWAUTYKT-UHFFFAOYSA-N
BMGC_DG07827,BMG_DG139461,C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC6C5O6)C=C2,,"InChI=1S/C20H12O/c1-2-11-4-5-13-10-16-14(8-9-17-20(16)21-17)15-7-6-12(3-1)18(11)19(13)15/h1-10,17,20H",OLLMQFHYRYHKTD-UHFFFAOYSA-N
BMGC_DG07828,BMG_DG139464,CC(C)(C)[C@@]1(CCN2C[C@H]3C4=CC=CC=C4CCC5=C3C(=CC=C5)[C@@H]2C1)O,C(C)(C)(C)[C@@]1(O)C[C@]2(c3c4[C@](c5c(CCc4ccc3)cccc5)(CN2CC1)[H])[H],"InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1",ZZJYIKPMDIWRSN-HWBMXIPRSA-N
BMGC_DG07829,BMG_DG139466,CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C,,"InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1",OEXHQOGQTVQTAT-UHFFFAOYSA-N
BMGC_DG07830,BMG_DG139468,CC(C)(C)[C@]1(CCN2C[C@@H]3C4=CC=CC=C4CCC5=C3C(=CC=C5)[C@H]2C1)O,c12[C@]3(c4c(cccc4)CCc1cccc2[C@]5(C[C@](C(C)(C)C)(O)CCN5C3)[H])[H],"InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1",ZZJYIKPMDIWRSN-TZBSWOFLSA-N
BMGC_DG07831,BMG_DG139471,,c1(c(nc[nH]1)C)CCN,,UGYXPZQILZRKJJ-UHFFFAOYSA-N
BMGC_DG07832,BMG_DG139472,CC(C)(C)NC[C@@H](COC1=CC=CC=C1C2CCCC2)O,c1(c(OC[C@H](CNC(C)(C)C)O)cccc1)C2CCCC2,"InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1",KQXKVJAGOJTNJS-HNNXBMFYSA-N
BMGC_DG07833,BMG_DG139474,CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3,c1(c(c2ccc(cc2oc1)OC(C)C)=O)-c3ccccc3,"InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3",SFBODOKJTYAUCM-UHFFFAOYSA-N
BMGC_DG07834,BMG_DG139476,CC(C)NNC(=O)C1=CC=NC=C1,C(NNC(C)C)(=O)c1ccncc1,"InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)",NYMGNSNKLVNMIA-UHFFFAOYSA-N
BMGC_DG07835,BMG_DG139481,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,N1(C(C2(CCCC2)N=C1CCCC)=O)Cc3ccc(-c4c(-c5nnn[nH]5)cccc4)cc3,"InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)",YOSHYTLCDANDAN-UHFFFAOYSA-N
BMGC_DG07836,BMG_DG139486,CCCN(CC)C(CC)C(=O)NC1=C(C=CC=C1C)C,N(C(C(N(CC)CCC)CC)=O)c1c(cccc1C)C,"InChI=1S/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)",VTUSIVBDOCDNHS-UHFFFAOYSA-N
BMGC_DG07837,BMG_DG139490,,c1(c(cc(cc1)[N+](=O)[O-])N)Nc2ccccc2,,PQMGRVXQAFKVMO-UHFFFAOYSA-N
BMGC_DG07838,BMG_DG139492,,S(c1ccc(NC(c2c(SSc3c(C(Nc4ccc(S(=O)(=O)N)cc4)=O)cccc3)cccc2)=O)cc1)(=O)(=O)N,,FVGJPHFQQMQGFQ-UHFFFAOYSA-N
BMGC_DG07839,BMG_DG139498,CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)NC4=C2C=CC(=C4)O,,"InChI=1S/C23H25NO2/c1-14(2)6-5-10-23(4)11-9-18-21-19(12-15(3)22(18)26-23)17-8-7-16(25)13-20(17)24-21/h6-9,11-13,24-25H,5,10H2,1-4H3",DWMBXHWBPZZCTN-UHFFFAOYSA-N
BMGC_DG07840,BMG_DG139504,C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl,Clc1cc(-c2nc(nc(n2)N)N)c(Cl)cc1,"InChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)",ATCGGEJZONJOCL-UHFFFAOYSA-N
BMGC_DG07841,BMG_DG139510,C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO)O)nc(C(=O)N)nc1,"InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1",IWUCXVSUMQZMFG-AFCXAGJDSA-N
BMGC_DG07842,BMG_DG139512,,c1(C(=O)O)c(ccc(c1)CCc2c(ccc(c2)O)O)O,,LFWUGCULXWIAOP-UHFFFAOYSA-N
BMGC_DG07843,BMG_DG139517,CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2,n1(c(n(c(=O)c2c1[nH]cn2)C)=O)CC(C)C,"InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)",APIXJSLKIYYUKG-UHFFFAOYSA-N
BMGC_DG07844,BMG_DG139522,CC1=CC(=NO1)C(=O)NNCC2=CC=CC=C2,c1(noc(c1)C)C(=O)NNCc2ccccc2,"InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)",XKFPYPQQHFEXRZ-UHFFFAOYSA-N
BMGC_DG07845,BMG_DG139526,C1=CC(=C(C(=C1)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl,c1c(Cl)c(COC(Cn2cncc2)c3ccc(cc3Cl)Cl)c(cc1)Cl,"InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2",MPIPASJGOJYODL-UHFFFAOYSA-N
BMGC_DG07846,BMG_DG139530,CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C,,"InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3",HUYWAWARQUIQLE-UHFFFAOYSA-N
BMGC_DG07847,BMG_DG139531,C(C(F)(F)F)(OC(F)F)Cl,C(C(OC(F)F)Cl)(F)(F)F,"InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H",PIWKPBJCKXDKJR-UHFFFAOYSA-N
BMGC_DG07848,BMG_DG139532,CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4,n1-2c(nnc1CN=C(c3c2ccc(Cl)c3)c4ccccc4)CN(C)C,"InChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3",GJSLOMWRLALDCT-UHFFFAOYSA-N
BMGC_DG07849,BMG_DG139533,COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O,,"InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3",LNIQZRIHAMVRJA-UHFFFAOYSA-N
BMGC_DG07850,BMG_DG139535,C1CNCC=C1C(=O)O,C1CC(=CCN1)C(O)=O,"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)",KRVDMABBKYMBHG-UHFFFAOYSA-N
BMGC_DG07851,BMG_DG139536,,C1(C(C(CC(C1)(C)C)=O)C2C=3C(CC(CC3Oc4ccccc42)(C)C)=O)=O,,XQDXIHYKAGHZRX-UHFFFAOYSA-N
BMGC_DG07852,BMG_DG139538,C1=CN=CC=C1C(=O)NN,C(=O)(c1ccncc1)NN,"InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)",QRXWMOHMRWLFEY-UHFFFAOYSA-N
BMGC_DG07853,BMG_DG139543,C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=CSC(=N3)N,,"InChI=1S/C16H14N2S/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)",XYDVHKCVOMGRSY-UHFFFAOYSA-N
BMGC_DG07854,BMG_DG139552,C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O,,"InChI=1S/C10H18O21S4/c11-3-1-26-10(8(31-35(22,23)24)5(3)28-32(13,14)15)27-4-2-25-9(12)7(30-34(19,20)21)6(4)29-33(16,17)18/h3-12H,1-2H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1",FCCNSUIJIOOXEZ-SJYYZXOBSA-N
BMGC_DG07855,BMG_DG139555,C1=CC2=C(C=C1O)C(=CN2)CC(=O)[O-],,"InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)/p-1",DUUGKQCEGZLZNO-UHFFFAOYSA-M
BMGC_DG07856,BMG_DG139557,,O=C(O)C1CCNCC1,,SRJOCJYGOFTFLH-UHFFFAOYSA-N
BMGC_DG07857,BMG_DG139558,,O=C(Oc1ccccc1)N2c3ccccc3Sc4ccccc24,,FGMRQVNHYGGLSF-UHFFFAOYSA-N
BMGC_DG07858,BMG_DG139559,CC(C)[N+](C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)C(C)C,[N+](CCC(C(=O)N)(c1ccccc1)c2ccccc2)(C(C)C)(C(C)C)C,"InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1",JTPUMZTWMWIVPA-UHFFFAOYSA-O
BMGC_DG07859,BMG_DG139560,,c1c2nc(NC(c3cccc(C(N)=O)c3)=O)n(c2ccc1)CCC,,UOZVVPXKJGOFIG-UHFFFAOYSA-N
BMGC_DG07860,BMG_DG139562,CC(C)O,OC(C)C,"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3",KFZMGEQAYNKOFK-UHFFFAOYSA-N
BMGC_DG07861,BMG_DG139566,CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C,S(c1cc2N(c3ccccc3Sc2cc1)CCCN4CCC(CC4)CCOC(=O)CCCCCCCCCCCCCCC)(N(C)C)(=O)=O,"InChI=1S/C40H63N3O4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-40(44)47-32-27-34-25-30-42(31-26-34)28-19-29-43-36-20-17-18-21-38(36)48-39-24-23-35(33-37(39)43)49(45,46)41(2)3/h17-18,20-21,23-24,33-34H,4-16,19,22,25-32H2,1-3H3",KTOYYUONFQWSMW-UHFFFAOYSA-N
BMGC_DG07862,BMG_DG139567,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N,[C@@]1([C@@H]([C@@H](N)[C@@H]([C@H](O1)CO)O)O)(O[C@@H]2[C@H]([C@H](O[C@@]3([C@@H]([C@@H](O)[C@@H]([C@H](O3)CN)O)O)[H])[C@H](C[C@H]2NC(=O)[C@H](CCN)O)N)O)[H],"InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1",LKCWBDHBTVXHDL-RMDFUYIESA-N
BMGC_DG07863,BMG_DG139569,,,,
BMGC_DG07864,BMG_DG139570,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C,c1(c(n(-c2ccccc2)n(c1C)C)=O)C(C)C,"InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3",PXWLVJLKJGVOKE-UHFFFAOYSA-N
BMGC_DG07865,BMG_DG139573,CCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)CCC)O)C,[C@@]12([C@]([C@]3([C@]([C@]4([C@](C(=O)C(=C4)C)(O)CC(=C3)CO)[H])(O)[C@@H]([C@H]1OC(CCC)=O)C)[H])(C2(C)C)[H])OC(CCC)=O,"InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1",BQJRUJTZSGYBEZ-YVQNUNKESA-N
BMGC_DG07866,BMG_DG139574,C1=CC=C2C3=C4C(=CC2=C1)C5C(O5)C6=CC=CC(=C64)C=C3,,"InChI=1S/C20H12O/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(17(11)18)19-20(16)21-19/h1-10,19-20H",XGZQLNASOQVQTD-UHFFFAOYSA-N
BMGC_DG07867,BMG_DG139576,CC(C)NCC(C1=CC(=C(C=C1)O)O)O,c1c(c(O)ccc1C(CNC(C)C)O)O,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3",JWZZKOKVBUJMES-UHFFFAOYSA-N
BMGC_DG07868,BMG_DG139577,,,,
BMGC_DG07869,BMG_DG139578,C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O,P(Oc1ccc([N+](=O)[O-])cc1)(O)(O)=O,"InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)",XZKIHKMTEMTJQX-UHFFFAOYSA-N
BMGC_DG07870,BMG_DG139587,CC(CN1C2=CC=CC=C2SC3=C1N=CC=C3)N(C)C,N1(c2c(cccn2)Sc3c1cccc3)CC(N(C)C)C,"InChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3",OQJBSDFFQWMKBQ-UHFFFAOYSA-N
BMGC_DG07871,BMG_DG139589,,c1cccc([N+]([O-])=O)c1C(=O)NN,,LYGGDXLOJMNFBV-UHFFFAOYSA-N
BMGC_DG07872,BMG_DG139598,CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O,,"InChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3",BMUKKTUHUDJSNZ-UHFFFAOYSA-N
BMGC_DG07873,BMG_DG139602,COC1=CC=C(C=C1)C(=O)[O-],,"InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)/p-1",ZEYHEAKUIGZSGI-UHFFFAOYSA-M
BMGC_DG07874,BMG_DG139606,,[C@]12([C@]([C@@]3([C@@](CC(C3)(C)C)(C=C1C=O)[H])[H])(C)C2)C=O,,PJAAESPGJOSQGZ-DZGBDDFRSA-N
BMGC_DG07875,BMG_DG139607,CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC,C=1(C(C(C(=O)OC)=C(NC1C)C)c2c3c(non3)ccc2)C(OC(C)C)=O,"InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3",HMJIYCCIJYRONP-UHFFFAOYSA-N
BMGC_DG07876,BMG_DG139612,C[N+](C)(C)CCS,,"InChI=1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1",VFUGTBZQGUVGEX-UHFFFAOYSA-O
BMGC_DG07877,BMG_DG139618,,Cc1ccc(S(=O)(=O)CN(Cc2ccccc2)CS(=O)(=O)c3ccc(C)cc3)cc1,,KQKVTPWQOSNHBI-UHFFFAOYSA-N
BMGC_DG07878,BMG_DG139646,CCCCCCCC(=O)O,C(=O)(O)CCCCCCC,"InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)",WWZKQHOCKIZLMA-UHFFFAOYSA-N
BMGC_DG07879,BMG_DG139649,CC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl,C(n1ccnc1)(Oc2ccc(Cl)cc2)C(C(C)(C)C)=O,"InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3",OWEGWHBOCFMBLP-UHFFFAOYSA-N
BMGC_DG07880,BMG_DG139657,CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC,CN(C)CCOc1ccc(CNC(=O)c2cc(c(cc2)OC)OC)cc1,"InChI=1S/C20H26N2O4/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4/h5-10,13H,11-12,14H2,1-4H3,(H,21,23)",QQQIECGTIMUVDS-UHFFFAOYSA-N
BMGC_DG07881,BMG_DG139664,CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl,,"InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3",VHVPQPYKVGDNFY-UHFFFAOYSA-N
BMGC_DG07882,BMG_DG139666,,c1cc-2c(cc1)C(c3c2nnc(c3)-c4ccccc4)=O,,ORLUBUYLVCUFDE-UHFFFAOYSA-N
BMGC_DG07883,BMG_DG139667,,COc1ccc(cc1)-c2cc3c(-c4ccccc4C3=O)nn2,,HXQRIHGYIOARQJ-UHFFFAOYSA-N
BMGC_DG07884,BMG_DG139670,,n1cnc(c2cc(c(cc12)OC)OC)Nc3ccc(cc3)O,,HOZUXBLMYUPGPZ-UHFFFAOYSA-N
BMGC_DG07885,BMG_DG139679,,COc1c(cc2c(c1)ncnc2Nc3cc(c(cc3)O)Br)OC,,CBIAKDAYHRWZCU-UHFFFAOYSA-N
BMGC_DG07886,BMG_DG139680,,CC(C)N(CCC(=O)c1cc2c(cc1)cccc2)Cc3ccccc3,,JSASWRWALCMOQP-UHFFFAOYSA-N
BMGC_DG07887,BMG_DG139684,CC(C)(CC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)NS(=O)(=O)C)O,c1c(cc(c(c1)O)NS(C)(=O)=O)C(CNC(Cc2ccccc2)(C)C)O,"InChI=1S/C19H26N2O4S/c1-19(2,12-14-7-5-4-6-8-14)20-13-18(23)15-9-10-17(22)16(11-15)21-26(3,24)25/h4-11,18,20-23H,12-13H2,1-3H3",XJBCFFLVLOPYBV-UHFFFAOYSA-N
BMGC_DG07888,BMG_DG139689,CC(C)(CO)C(=O)C(=O)O,CC(C)(CO)C(=O)C(=O)O,"InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10)",PKVVTUWHANFMQC-UHFFFAOYSA-N
BMGC_DG07889,BMG_DG139690,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O,,"InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)",KQMZYOXOBSXMII-UHFFFAOYSA-N
BMGC_DG07890,BMG_DG139708,C1=CC(=C(C=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl,c1c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc(Cl)c(Cl)c1,InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H,LCXMEXLGMKFLQO-UHFFFAOYSA-N
BMGC_DG07891,BMG_DG139709,,CN1CCN(CC1)C2=Nc3cccnc3Nc4ccc(C)cc24,,MMCMKWDIEUZMQB-UHFFFAOYSA-N
BMGC_DG07892,BMG_DG139713,CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C(=C3CCC(=O)O)C)CCC(=O)O.[Zn+2],,"InChI=1S/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2",FUTVBRXUIKZACV-UHFFFAOYSA-L
BMGC_DG07893,BMG_DG139739,C1=CC2=C(C(=O)C=CC2=O)C(=C1)O,c12c(C(=O)C=CC1=O)cccc2O,"InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H",KQPYUDDGWXQXHS-UHFFFAOYSA-N
BMGC_DG07894,BMG_DG139741,C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2CC(=O)O,n1(c2c(c(=O)c3c1cccc3)cccc2)CC(O)=O,"InChI=1S/C15H11NO3/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18)",UOMKBIIXHQIERR-UHFFFAOYSA-N
BMGC_DG07895,BMG_DG139745,CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F,c1(c(C(=O)O)cccn1)Nc2c(c(C(F)(F)F)ccc2)C,"InChI=1S/C14H11F3N2O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2-7H,1H3,(H,18,19)(H,20,21)",NOOCSNJCXJYGPE-UHFFFAOYSA-N
BMGC_DG07896,BMG_DG139759,CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)C)[H])NC([C@@H](C3=CCC=CC3)N)=O,"InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1",RDLPVSKMFDYCOR-UEKVPHQBSA-N
BMGC_DG07897,BMG_DG139772,C1C2=C3C4=CC=CC=C4NC3=C5C(=C2C(=O)N1)C6=CC=CC=C6N5,c12c(c3c(c4c1C(NC4)=O)c5c([nH]3)cccc5)[nH]c6c2cccc6,"InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)",MEXUTNIFSHFQRG-UHFFFAOYSA-N
BMGC_DG07898,BMG_DG139780,,N1(c2c(Oc3c(C1)cccc3)ccc(c2)Cl)C(NNC(=O)CCCCCl)=O,,OUNSOXPSCMCFHX-UHFFFAOYSA-N
BMGC_DG07899,BMG_DG139783,C1=CC2=C(C=C1Cl)OC3=C(O2)C=CC(=C3)Cl,c1c2c(ccc1Cl)Oc3c(O2)cc(cc3)Cl,InChI=1S/C12H6Cl2O2/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6H,WMWJCKBJUQDYLM-UHFFFAOYSA-N
BMGC_DG07900,BMG_DG139787,,O=C1Cc2c(-c3c(N1)cccc3)[nH]c4c2cc(Br)cc4,,QQUXFYAWXPMDOE-UHFFFAOYSA-N
BMGC_DG07901,BMG_DG139790,CNCC(CC12CCC(C3=CC=CC=C31)C4=CC=CC=C24)O,C12(c3c(C(c4c1cccc4)CC2)cccc3)CC(CNC)O,"InChI=1S/C20H23NO/c1-21-13-14(22)12-20-11-10-15(16-6-2-4-8-18(16)20)17-7-3-5-9-19(17)20/h2-9,14-15,21-22H,10-13H2,1H3",FDXQKWSTUZCCTM-UHFFFAOYSA-N
BMGC_DG07902,BMG_DG139792,CNC1(CCCCC1=O)C2=CC=CC=C2Cl,Clc1c(C2(NC)CCCCC2=O)cccc1,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3",YQEZLKZALYSWHR-UHFFFAOYSA-N
BMGC_DG07903,BMG_DG139793,C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O,n1(c([nH]c2c(c1=O)cccc2)=O)CCN3CCC(C(c4ccc(cc4)F)=O)CC3,"InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)",FPCCSQOGAWCVBH-UHFFFAOYSA-N
BMGC_DG07904,BMG_DG139797,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl,,"InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3",XMAYWYJOQHXEEK-UHFFFAOYSA-N
BMGC_DG07905,BMG_DG139804,CC(=O)CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,N1(N(c2ccccc2)C(=O)C(C1=O)CCC(C)=O)c3ccccc3,"InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3",LGYTZKPVOAIUKX-UHFFFAOYSA-N
BMGC_DG07906,BMG_DG139805,,c1(c(cc(CCN)cc1OC)OC)OCC,,RHOGRSKNWDNCDN-UHFFFAOYSA-N
BMGC_DG07907,BMG_DG139806,CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O,C(c1cc(C(C(=O)O)C)ccc1)(=O)c2ccccc2,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)",DKYWVDODHFEZIM-UHFFFAOYSA-N
BMGC_DG07908,BMG_DG139807,C1=C2C(=CC(=C1Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl,c12c(Oc3cc(Cl)c(cc3O1)Cl)c(c(Cl)c(c2Cl)Cl)Cl,InChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H,WCYYQNSQJHPVMG-UHFFFAOYSA-N
BMGC_DG07909,BMG_DG139811,C1=CC=C2C(=C1)OC3=C(O2)C(=C(C=C3Cl)Cl)Cl,c12c(Oc3ccccc3O1)c(cc(c2Cl)Cl)Cl,InChI=1S/C12H5Cl3O2/c13-6-5-7(14)11-12(10(6)15)17-9-4-2-1-3-8(9)16-11/h1-5H,HRVUKLBFRPWXPJ-UHFFFAOYSA-N
BMGC_DG07910,BMG_DG139812,C1=CC2=C(C=C1Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl,c12c(Oc3ccc(cc3O1)Cl)c(c(Cl)c(c2Cl)Cl)Cl,InChI=1S/C12H3Cl5O2/c13-4-1-2-5-6(3-4)19-12-10(17)8(15)7(14)9(16)11(12)18-5/h1-3H,WRNGAZFESPEMCN-UHFFFAOYSA-N
BMGC_DG07911,BMG_DG139815,C(NC(=O)NC1C(=O)NC(=O)N1CO)NC(=O)NC2C(=O)NC(=O)N2CO,N1(C(NC(C1NC(NCNC(NC2N(C(=O)NC2=O)CO)=O)=O)=O)=O)CO,"InChI=1S/C11H16N8O8/c20-2-18-4(6(22)16-10(18)26)14-8(24)12-1-13-9(25)15-5-7(23)17-11(27)19(5)3-21/h4-5,20-21H,1-3H2,(H2,12,14,24)(H2,13,15,25)(H,16,22,26)(H,17,23,27)",ZCTXEAQXZGPWFG-UHFFFAOYSA-N
BMGC_DG07912,BMG_DG139817,C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O,n12c(C(C(=O)O)CC1)ccc2C(=O)c3ccccc3,"InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)",OZWKMVRBQXNZKK-UHFFFAOYSA-N
BMGC_DG07913,BMG_DG139824,CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1,c12C(c3c(cccc3)CC(c1scc2)=O)=C4CCN(CC4)C,"InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3",ZCVMWBYGMWKGHF-UHFFFAOYSA-N
BMGC_DG07914,BMG_DG139827,CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC,c12c(c(OC)c3c(c1OC)cco3)oc(cc2=O)C,"InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3",HSMPDPBYAYSOBC-UHFFFAOYSA-N
BMGC_DG07915,BMG_DG139828,C1CNCCC1(C2=CC=C(C=C2)Cl)O,C1(c2ccc(cc2)Cl)(CCNCC1)O,"InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2",LZAYOZUFUAMFLD-UHFFFAOYSA-N
BMGC_DG07916,BMG_DG139830,,C1[C@H](O)C(C)(C)[C@]2([H])CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CC[C@@H](C)[C@@](C)(O)[C@@]5([H])C4=CC[C@]3([H])[C@@]2(C)C1,,ZZTYPLSBNNGEIS-OPAXANQDSA-N
BMGC_DG07917,BMG_DG139841,C1=COC(=C1)CNC2=NC=NC3=C2NC=N3,n1c(c2nc[nH]c2nc1)NCc3occc3,"InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)",QANMHLXAZMSUEX-UHFFFAOYSA-N
BMGC_DG07918,BMG_DG139853,,C1(N(/C(=N/c2ccc(cc2)OC)/C(/N1c3ccc(cc3)N(C)C)=N/c4ccc(cc4)OC)c5ccc(cc5)OC)=S,,OFQDDTLVBDRDIE-BUKSSGJPSA-N
BMGC_DG07919,BMG_DG139854,,c12c(NC(C1=O)=O)ccc(c2)OC,,DMHGXMPXHPOXBF-UHFFFAOYSA-N
BMGC_DG07920,BMG_DG139857,CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CO)C(C)O)O.CC(=O)O,,"InChI=1S/C49H66N10O10S2.C2H4O2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41;1-2(3)4/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64);1H3,(H,3,4)",XQEJFZYLWPSJOV-UHFFFAOYSA-N
BMGC_DG07921,BMG_DG139876,CC1=C2C3C(O3)C4=CC=CC=C4C2=C(C5=CC=CC=C15)C,,"InChI=1S/C20H16O/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19-20(18)21-19/h3-10,19-20H,1-2H3",HVGNLIKFFBYBQM-UHFFFAOYSA-N
BMGC_DG07922,BMG_DG139902,C1=C(OC=C(C1=O)O)CO,Oc1c(=O)cc(CO)oc1,"InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2",BEJNERDRQOWKJM-UHFFFAOYSA-N
BMGC_DG07923,BMG_DG139905,C1=CSC(=C1)C(=O)C2=C(C(=C(C=C2)OCC(=O)O)Cl)Cl,c1(c(c(Cl)c(cc1)OCC(=O)O)Cl)C(c2sccc2)=O,"InChI=1S/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17)",AGHANLSBXUWXTB-UHFFFAOYSA-N
BMGC_DG07924,BMG_DG139912,C1=C2C(=CC(=C1Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl,c12c(Oc3cc(Cl)c(cc3O1)Cl)cc(Cl)c(c2Cl)Cl,InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H,FSPZPQQWDODWAU-UHFFFAOYSA-N
BMGC_DG07925,BMG_DG139919,C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O,n1c(cc(c2c1cccc2)O)C(=O)O,"InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)",HCZHHEIFKROPDY-UHFFFAOYSA-N
BMGC_DG07926,BMG_DG139927,C1=CC=C(C=C1)CC(C(=O)O)O,c1(ccccc1)CC(C(O)=O)O,"InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)",VOXXWSYKYCBWHO-UHFFFAOYSA-N
BMGC_DG07927,BMG_DG139929,C(CCC(=O)O)CCC(=O)O,C(CCCCCC(O)=O)(O)=O,"InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)",WLJVNTCWHIRURA-UHFFFAOYSA-N
BMGC_DG07928,BMG_DG139939,C1CCC2(CC1)OCC(O2)CN=C(N)N,C12(OC(CNC(=N)N)CO1)CCCCC2,"InChI=1S/C10H19N3O2/c11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10/h8H,1-7H2,(H4,11,12,13)",HPBNRIOWIXYZFK-UHFFFAOYSA-N
BMGC_DG07929,BMG_DG139951,,Oc1cc(ccc1NC(=O)Nc2ccccc2Br)[N+]([O-])=O,,MQBZVUNNWUIPMK-UHFFFAOYSA-N
BMGC_DG07930,BMG_DG139955,C(C(C(=O)O)N)P(=O)(O)O,P(CC(C(O)=O)N)(O)(=O)O,"InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)",LBTABPSJONFLPO-UHFFFAOYSA-N
BMGC_DG07931,BMG_DG139964,C1=CN(C=C(C1=O)O)CC(C(=O)O)N,c1c(c(ccn1CC(C(=O)O)N)=O)O,"InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)",WZNJWVWKTVETCG-UHFFFAOYSA-N
BMGC_DG07932,BMG_DG139979,C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCO)O)F,c12C(c3c(cccc3)F)=NC(O)C(N(c1ccc(c2)Cl)CCO)=O,"InChI=1S/C17H14ClFN2O3/c18-10-5-6-14-12(9-10)15(11-3-1-2-4-13(11)19)20-16(23)17(24)21(14)7-8-22/h1-6,9,16,22-23H,7-8H2",VOJLELRQLPENHL-UHFFFAOYSA-N
BMGC_DG07933,BMG_DG139984,,S(=O)(=O)(n1c2c(-c3c(C(=O)C2=O)[nH]cc3C(OCc4ccccc4)=O)cc1C(OC)=O)c5ccc(C)cc5,,AVADCSIAVBNFKV-UHFFFAOYSA-N
BMGC_DG07934,BMG_DG139991,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O,c1(cc(C(CNC(CCc2ccccc2)C)O)ccc1O)C(=O)N,"InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)",SGUAFYQXFOLMHL-UHFFFAOYSA-N
BMGC_DG07935,BMG_DG139993,C1=C(C=C(C(=C1[N+](=O)[O-])O)O)[N+](=O)[O-],c1(c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O)O,"InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H",VDCDWNDTNSWDFJ-UHFFFAOYSA-N
BMGC_DG07936,BMG_DG140006,C1=CC=C2C(=C1)C3=NC=CC4=C3C(=NC=C4)C2=O,c12C(c3ccccc3-c4c1c(ccn4)ccn2)=O,InChI=1S/C15H8N2O/c18-15-11-4-2-1-3-10(11)13-12-9(5-7-16-13)6-8-17-14(12)15/h1-8H,BWQKHOMAOVUASZ-UHFFFAOYSA-N
BMGC_DG07937,BMG_DG140008,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,[C@]12([C@]([C@]3([C@]([C@@]4([C@](C[C@H](O)CC4)([H])C[C@H]3O)C)([H])CC1)[H])(CC[C@@]2([C@@H](CCC(=O)NCCS(=O)(=O)O)C)[H])[H])C,"InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1",BHTRKEVKTKCXOH-BJLOMENOSA-N
BMGC_DG07938,BMG_DG140015,B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O,CC(C)C[C@@H](B(O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2,"InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1",GXJABQQUPOEUTA-RDJZCZTQSA-N
BMGC_DG07939,BMG_DG140022,C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N,c1(c(nc(nn1)N)N)-c2c(c(Cl)ccc2)Cl,"InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)",PYZRQGJRPPTADH-UHFFFAOYSA-N
BMGC_DG07940,BMG_DG140033,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,c1(nc2ccccc2[nH]1)[S+](Cc3c(c(OCC(F)(F)F)ccn3)C)[O-],"InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)",MJIHNNLFOKEZEW-UHFFFAOYSA-N
BMGC_DG07941,BMG_DG140038,CC1(CCC2=C(O1)C3=CC=CC=C3C(=O)C2=O)C,c1cc2c(cc1)C3=C(CCC(O3)(C)C)C(C2=O)=O,"InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3",QZPQTZZNNJUOLS-UHFFFAOYSA-N
BMGC_DG07942,BMG_DG140039,C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N.C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N.O.O.O,[C@@](C)(C(=O)O)(Cc1cc(c(O)cc1)O)N.O.[C@@](C)(C(=O)O)(Cc1cc(c(O)cc1)O)N.O.O,"InChI=1S/2C10H13NO4.3H2O/c2*1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;;;/h2*2-4,12-13H,5,11H2,1H3,(H,14,15);3*1H2/t2*10-;;;/m00.../s1",YKFCISHFRZHKHY-NGQGLHOPSA-N
BMGC_DG07943,BMG_DG140040,C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N,[C@@](C)(C(=O)O)(Cc1cc(c(O)cc1)O)N,"InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1",CJCSPKMFHVPWAR-JTQLQIEISA-N
BMGC_DG07944,BMG_DG140061,C1CC(C1)(C(=O)O)C(=O)O.N.N.[Pt],,"InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;",DVQHYTBCTGYNNN-UHFFFAOYSA-N
BMGC_DG07945,BMG_DG140067,CCCCCCCCCCCC(=O)O,C(=O)(O)CCCCCCCCCCC,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",POULHZVOKOAJMA-UHFFFAOYSA-N
BMGC_DG07946,BMG_DG140070,C1=CC=C(C(=C1)CN(CC2=C(C=CC(=C2)O)O)C3=CC(=C(C=C3)O)C(=O)O)O,c1cc(cc(C(O)=O)c1O)N(Cc2c(cccc2)O)Cc3c(ccc(c3)O)O,"InChI=1S/C21H19NO6/c23-16-6-8-19(25)14(9-16)12-22(11-13-3-1-2-4-18(13)24)15-5-7-20(26)17(10-15)21(27)28/h1-10,23-26H,11-12H2,(H,27,28)",ULTTYPMRMMDONC-UHFFFAOYSA-N
BMGC_DG07947,BMG_DG140073,CC1=C(C(=CC=C1)C)NC(=O)C(C)N,N(C(=O)C(N)C)c1c(cccc1C)C,"InChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)",BUJAGSGYPOAWEI-UHFFFAOYSA-N
BMGC_DG07948,BMG_DG140076,,C(c1c(ccc(c1)N(Cc2c(cccc2)O)Cc3c(cccc3)O)O)(=O)O,,RTYOLBQXFXYMKY-UHFFFAOYSA-N
BMGC_DG07949,BMG_DG140078,,C(c1c(O)ccc(c1)NCc2c(ccc(c2)O)O)(=O)O,,LULATDWLDJOKCX-UHFFFAOYSA-N
BMGC_DG07950,BMG_DG140120,CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F,c1(C(Nc2ccc(C(F)(F)F)cc2)=O)c(onc1)C,"InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)",VHOGYURTWQBHIL-UHFFFAOYSA-N
BMGC_DG07951,BMG_DG140121,C1=C2C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)C(=O)N2,[nH]1c(c([nH]c2cc(c(cc12)[N+](=O)[O-])[N+](=O)[O-])=O)=O,"InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14)",RWVIMCIPOAXUDG-UHFFFAOYSA-N
BMGC_DG07952,BMG_DG140124,C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3,n1(ncnc1)C(c2ccc(C#N)cc2)c3ccc(C#N)cc3,"InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H",HPJKCIUCZWXJDR-UHFFFAOYSA-N
BMGC_DG07953,BMG_DG140129,CC1=C2C(=CC=C1)SC3=NN=CN23,n12c3c(cccc3C)sc1nnc2,"InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3",DQJCHOQLCLEDLL-UHFFFAOYSA-N
BMGC_DG07954,BMG_DG140131,CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl,C(NCCc1ccc(OC(C(O)=O)(C)C)cc1)(c2ccc(Cl)cc2)=O,"InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)",IIBYAHWJQTYFKB-UHFFFAOYSA-N
BMGC_DG07955,BMG_DG140134,,c1(c(cc(NCc2c(ccc(c2)O)O)cc1)O)C(=O)OC,,UKKCCABWWBKWOE-UHFFFAOYSA-N
BMGC_DG07956,BMG_DG140140,CC1=CC(=CC=C1)OC2=CNC(=O)N=C2,c1(ncc(c[nH]1)Oc2cc(C)ccc2)=O,"InChI=1S/C11H10N2O2/c1-8-3-2-4-9(5-8)15-10-6-12-11(14)13-7-10/h2-7H,1H3,(H,12,13,14)",HJQILFPVRNHTIG-UHFFFAOYSA-N
BMGC_DG07957,BMG_DG140142,,Clc1cc2N3C(C(=O)Nc2cc1Cl)CNCC3,,PHGWDAICBXUJDU-UHFFFAOYSA-N
BMGC_DG07958,BMG_DG140150,,N1(S(c2c(C1=O)cccc2)(=O)=O)CC#C,,BEJGLFVJZIJLDQ-UHFFFAOYSA-N
BMGC_DG07959,BMG_DG140162,CC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O,O(CC(CNC(C)(C)C)O)c1c2c(C[C@H]([C@H](C2)O)O)ccc1,"InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1",VWPOSFSPZNDTMJ-UCWKZMIHSA-N
BMGC_DG07960,BMG_DG140173,CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O,,"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3",JAQUASYNZVUNQP-UHFFFAOYSA-N
BMGC_DG07961,BMG_DG140178,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC,[C@@H]1(OC(=O)C)[C@H](c2ccc(OC)cc2)Sc3c(cccc3)N(CCN(C)C)C1=O,"InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1",HSUGRBWQSSZJOP-RTWAWAEBSA-N
BMGC_DG07962,BMG_DG140183,CC1=NC=C(C(=N1)N)CNC(=O)N(CCCl)N=O,n1c(c(CNC(N(N=O)CCCl)=O)cnc1C)N,"InChI=1S/C9H13ClN6O2/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14)",VFEDRRNHLBGPNN-UHFFFAOYSA-N
BMGC_DG07963,BMG_DG140186,,c1c(ccc(n1)C2(CC2)c3cc4C(CCC(c4cc3C)(C)C)(C)C)C(=O)O,,SLXTWXQUEZSSTJ-UHFFFAOYSA-N
BMGC_DG07964,BMG_DG140203,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F,c1(NC(CN2CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F)=O)c(cccc1C)C,"InChI=1S/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36)",ZBIAKUMOEKILTF-UHFFFAOYSA-N
BMGC_DG07965,BMG_DG140204,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O,s1c(nc(CN(C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C[C@H](O)[C@@H](NC(OCc2scnc2)=O)Cc3ccccc3)Cc4ccccc4)C)c1)C(C)C,"InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1",NCDNCNXCDXHOMX-XGKFQTDJSA-N
BMGC_DG07966,BMG_DG140209,CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O,,"InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)",OJMMVQQUTAEWLP-UHFFFAOYSA-N
BMGC_DG07967,BMG_DG140211,,C(c1cc(c(cc1)C)S(=O)(=O)N2CCCCC2)(=O)Oc3cccc4cccnc34,,WORIMYADZQJWOU-UHFFFAOYSA-N
BMGC_DG07968,BMG_DG140213,,c1(c(cccc1)C(O)=O)C(c2ccc(-c3ccccc3)cc2)=O,,NBYNVBRXIUUSIG-UHFFFAOYSA-N
BMGC_DG07969,BMG_DG140214,,c12c([nH]nc1)cccc2Cl,,CQTGQYVQJOJQCM-UHFFFAOYSA-N
BMGC_DG07970,BMG_DG140218,C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5,C1(C(c2ccccc2N1c3ccccc3)(Cc4ccncc4)Cc5ccncc5)=O,"InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2",YEJCDKJIEMIWRQ-UHFFFAOYSA-N
BMGC_DG07971,BMG_DG140233,C1=CC=C(C=C1)CC(=O)NC2=NC3=C(C=C(C=C3)Cl)C4=NC(=NN42)C5=CC=CO5,,"InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)",TWWFAXQOKNBUCR-UHFFFAOYSA-N
BMGC_DG07972,BMG_DG140242,C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=S)N,,"InChI=1S/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)",OTDJAMXESTUWLO-UHFFFAOYSA-N
BMGC_DG07973,BMG_DG140243,CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2,"InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3",WURBVZBTWMNKQT-UHFFFAOYSA-N
BMGC_DG07974,BMG_DG140247,,[Li+].[OH-],,WMFOQBRAJBCJND-UHFFFAOYSA-M
BMGC_DG07975,BMG_DG140257,CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3,C1(C(=C(C(C(=C1C)N2CC2)=O)CO)N3CC3)=O,"InChI=1S/C12H14N2O3/c1-7-9(13-2-3-13)12(17)8(6-15)10(11(7)16)14-4-5-14/h15H,2-6H2,1H3",JKDLOGLNPDVUCX-UHFFFAOYSA-N
BMGC_DG07976,BMG_DG140259,CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O,,"InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3",MXYUKLILVYORSK-UHFFFAOYSA-N
BMGC_DG07977,BMG_DG140264,CC(C)(C)NC[C@@H](COC1=CC=CC2=C1CCCC2=O)O,c12c(c(OC[C@H](CNC(C)(C)C)O)ccc1)CCCC2=O,"InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1",IXHBTMCLRNMKHZ-LBPRGKRZSA-N
BMGC_DG07978,BMG_DG140266,CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl,N1(c2c(CCc3c1cccc3)cccc2)CCCN(CC(c4ccc(cc4)Cl)=O)C,"InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3",SAPNXPWPAUFAJU-UHFFFAOYSA-N
BMGC_DG07979,BMG_DG140268,CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O,c1(c(c2cc(F)c(c(c2n(c1)CC)F)N3CC(C)NCC3)=O)C(=O)O,"InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)",ZEKZLJVOYLTDKK-UHFFFAOYSA-N
BMGC_DG07980,BMG_DG140270,C[N+]1=CC=C(C=C1)C2=CC=CC=C2,c1(-c2ccccc2)cc[n+](C)cc1,"InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1",FMGYKKMPNATWHP-UHFFFAOYSA-N
BMGC_DG07981,BMG_DG140272,,c1ccc(cc1)C(=O)Nc2nnc(s2)S(=O)(=O)N,,PMNNJWNEWDGYIV-UHFFFAOYSA-N
BMGC_DG07982,BMG_DG140273,COC1=C(C(=C(C=C1)CN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC)OC,N1(CCN(CC1)Cc2c(c(c(cc2)OC)OC)OC)C(c3ccc(cc3)F)c4ccc(cc4)F,"InChI=1S/C27H30F2N2O3/c1-32-24-13-8-21(26(33-2)27(24)34-3)18-30-14-16-31(17-15-30)25(19-4-9-22(28)10-5-19)20-6-11-23(29)12-7-20/h4-13,25H,14-18H2,1-3H3",JQSAYKKFZOSZGJ-UHFFFAOYSA-N
BMGC_DG07983,BMG_DG140274,,C1(=Cc2ccc(OC)cc2)C(NC(=O)NC1=O)=O,,IWKTUKNFSHWMNP-UHFFFAOYSA-N
BMGC_DG07984,BMG_DG140277,C1CCC(CC1)NC(=O)N(CCCl)N=O,C(N(N=O)CCCl)(NC1CCCCC1)=O,"InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)",GQYIWUVLTXOXAJ-UHFFFAOYSA-N
BMGC_DG07985,BMG_DG140282,CCC(=O)[C@]1([C@@H](CC2[C@@]1(C[C@@H](C3C2CCC4=CC(=O)C=C[C@]34C)O)C)C)C,,"InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17?,18?,19+,21?,22+,23+,24-/m1/s1",QTTRZHGPGKRAFB-PAIWTFDUSA-N
BMGC_DG07986,BMG_DG140286,,,,
BMGC_DG07987,BMG_DG140293,C1CN(CCN1C2=C3C=CC=NC3=C(C=C2)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl,,"InChI=1S/C20H17ClN4O3/c21-15-5-3-14(4-6-15)20(26)24-12-10-23(11-13-24)17-7-8-18(25(27)28)19-16(17)2-1-9-22-19/h1-9H,10-13H2",KLNPVNZJCWIQSK-UHFFFAOYSA-N
BMGC_DG07988,BMG_DG140299,CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4,C(C(CCN1CCC(CC1)(c2ccc(cc2)Cl)O)(c3ccccc3)c4ccccc4)(N(C)C)=O,"InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3",RDOIQAHITMMDAJ-UHFFFAOYSA-N
BMGC_DG07989,BMG_DG140304,C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O,c1(nn(Cc2c(cc(cc2)Cl)Cl)c3c1cccc3)C(=O)O,"InChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)",WDRYRZXSPDWGEB-UHFFFAOYSA-N
BMGC_DG07990,BMG_DG140305,CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1,C1(c2c(cc(cc2)Cl)CCc3c1nccc3)=C4CCN(CC4)C(=O)OCC,"InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3",JCCNYMKQOSZNPW-UHFFFAOYSA-N
BMGC_DG07991,BMG_DG140306,C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl,C1(=NC(C(=O)Nc2c1cc(cc2)Cl)O)c3c(Cl)cccc3,"InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)",DIWRORZWFLOCLC-UHFFFAOYSA-N
BMGC_DG07992,BMG_DG140311,CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl,Clc1c(cc(C(=O)NC(CCC(=O)O)C(N(CCCCC)CCCCC)=O)cc1)Cl,"InChI=1S/C22H32Cl2N2O4/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28)",IEKOTSCYBBDIJC-UHFFFAOYSA-N
BMGC_DG07993,BMG_DG140313,CC1=NC=C2COP(=O)(OCC2=C1O)O,,"InChI=1S/C8H10NO5P/c1-5-8(10)7-4-14-15(11,12)13-3-6(7)2-9-5/h2,10H,3-4H2,1H3,(H,11,12)",KCAJHODRYGNBSX-UHFFFAOYSA-N
BMGC_DG07994,BMG_DG140315,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl,n1(c(c(Cl)nc1CCCC)CO)Cc2ccc(-c3c(-c4[nH]nnn4)cccc3)cc2,"InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)",PSIFNNKUMBGKDQ-UHFFFAOYSA-N
BMGC_DG07995,BMG_DG140321,CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl,C1(=Nc2c(cccc2)Oc3c1cc(cc3)Cl)N4CCN(CC4)C,"InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3",XJGVXQDUIWGIRW-UHFFFAOYSA-N
BMGC_DG07996,BMG_DG140322,CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)O,C1(C(CCC1)Cc2ccc(cc2)C(C(O)=O)C)=O,"InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)",YMBXTVYHTMGZDW-UHFFFAOYSA-N
BMGC_DG07997,BMG_DG140333,CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NNN=N2,n1n[nH]c(n1)CCCCOc2c(c(O)c(cc2)C(=O)C)CCC,"InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)",MWYHLEQJTQJHSS-UHFFFAOYSA-N
BMGC_DG07998,BMG_DG140334,C1=CC=C2C(=C1)C(=CN2)CC(=O)N,C(C(N)=O)c1c2c([nH]c1)cccc2,"InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)",ZOAMBXDOGPRZLP-UHFFFAOYSA-N
BMGC_DG07999,BMG_DG140338,,c12c(Oc3cc(Br)c(cc3O1)Br)cc(Br)c(c2)Br,,JZLQUWSWOJPCAK-UHFFFAOYSA-N
BMGC_DG08000,BMG_DG140339,C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4,c1(cc(c2c(o1)c(ccc2)-c3ccccc3)=O)N4CCOCC4,"InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2",CZQHHVNHHHRRDU-UHFFFAOYSA-N
BMGC_DG08001,BMG_DG140340,C1=C(C=C(C2=C1OC3=CC(=C(C=C3O2)Cl)Cl)Cl)Cl,c12c(Oc3cc(Cl)c(cc3O1)Cl)cc(Cl)cc2Cl,InChI=1S/C12H4Cl4O2/c13-5-1-8(16)12-11(2-5)17-9-3-6(14)7(15)4-10(9)18-12/h1-4H,VPTDIAYLYJBYQG-UHFFFAOYSA-N
BMGC_DG08002,BMG_DG140345,COC1=CC=C(C=C1)[C@]23[C@@H]([C@H]([C@H]([C@]2(C4=C(O3)C=C(C=C4OC)OC)O)O)C(=O)N)C5=CC=CC=C5,,"InChI=1S/C27H27NO7/c1-32-17-11-9-16(10-12-17)27-22(15-7-5-4-6-8-15)21(25(28)30)24(29)26(27,31)23-19(34-3)13-18(33-2)14-20(23)35-27/h4-14,21-22,24,29,31H,1-3H3,(H2,28,30)/t21-,22-,24-,26+,27+/m1/s1",RMNPQEWLGQURNX-PXIJUOARSA-N
BMGC_DG08003,BMG_DG140346,CC(=O)N=C1C=CC(=O)C=C1,C=1C(=O)C=C/C(=N/C(C)=O)/C1,"InChI=1S/C8H7NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5H,1H3",URNSECGXFRDEDC-UHFFFAOYSA-N
BMGC_DG08004,BMG_DG140347,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-],[C@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC1)[H])(C[C@H](N5CCCCC5)[C@H](C4)OC(=O)C)C)[H])[H])(C[C@@H]([C@@H]2OC(=O)C)[N+]6(C)CCCCC6)[H])C.[Br-],"InChI=1S/C34H57N2O4.BrH/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36;/h25-32H,6-22H2,1-5H3;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1",VEPSYABRBFXYIB-PWXDFCLTSA-M
BMGC_DG08005,BMG_DG140348,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C,[C@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC1)[H])(C[C@H](N5CCCCC5)[C@H](C4)OC(=O)C)C)[H])[H])(C[C@@H]([C@@H]2OC(=O)C)[N+]6(C)CCCCC6)[H])C,"InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1",BGSZAXLLHYERSY-XQIGCQGXSA-N
BMGC_DG08006,BMG_DG140355,,C(=O)(N1CCN(CC1)C)c2cn(cc2-c3cccc4ccccc34)Cc5cncn5Cc6cc7OCOc7cc6,,HWLBLFBLGGVDBT-UHFFFAOYSA-N
BMGC_DG08007,BMG_DG140359,COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCO)OC,c1(n(c-2c(c3cc(c(cc13)OC)OC)C(c4cc5c(cc42)OCO5)=O)CCCNCCO)=O,"InChI=1S/C24H24N2O7/c1-30-17-8-13-16(11-18(17)31-2)24(29)26(6-3-4-25-5-7-27)22-14-9-19-20(33-12-32-19)10-15(14)23(28)21(13)22/h8-11,25,27H,3-7,12H2,1-2H3",QCSDJDQOJBQTDV-UHFFFAOYSA-N
BMGC_DG08008,BMG_DG140362,CCOP(=O)(C)SCCN(C(C)C)C(C)C,N(CCSP(OCC)(C)=O)(C(C)C)C(C)C,"InChI=1S/C11H26NO2PS/c1-7-14-15(6,13)16-9-8-12(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3",JJIUCEJQJXNMHV-UHFFFAOYSA-N
BMGC_DG08009,BMG_DG140367,,,,
BMGC_DG08010,BMG_DG140369,COC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])N,[N+](NC(=N)NCCC[C@@H](C(=O)OC)N)([O-])=O,"InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1",KCWZGJVSDFYRIX-YFKPBYRVSA-N
BMGC_DG08011,BMG_DG140370,,NC1(c2cc3ccccc3s2)CCCCC1,,HYVMNAZTYJDWIZ-UHFFFAOYSA-N
BMGC_DG08012,BMG_DG140379,CCCCCCC(C)(C)C1=CC(=C2C3CC(=O)CCC3C(OC2=C1)(C)C)O,,"InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3",GECBBEABIDMGGL-UHFFFAOYSA-N
BMGC_DG08013,BMG_DG140387,,c12c(c3c(cc(OC)c(c3)OC)cc1)[n+](cc4cc(OC)c(cc24)OC)C,,XBPUQLWKZKQIEP-UHFFFAOYSA-N
BMGC_DG08014,BMG_DG140391,,,,
BMGC_DG08015,BMG_DG140392,C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O,C([C@H](c1ccc(CC(C)C)cc1)C)(=O)O,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1",HEFNNWSXXWATRW-JTQLQIEISA-N
BMGC_DG08016,BMG_DG140396,C1=C2C3=CC(=C(C=C3OC2=CC(=C1Cl)Cl)Cl)Cl,c12c3c(cc(c(c3)Cl)Cl)oc1cc(Cl)c(c2)Cl,InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H,KSMVNVHUTQZITP-UHFFFAOYSA-N
BMGC_DG08017,BMG_DG140397,CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NO,C(c1ccc(cc1)N(C)C)(=O)NCCCCCCC(=O)NO,"InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)",MXWDSZWTBOCWBK-UHFFFAOYSA-N
BMGC_DG08018,BMG_DG140398,CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl)C(=O)O,C(C(O)=O)(C)c1cc2c(cc1)oc(n2)-c3ccc(cc3)Cl,"InChI=1S/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)",MITFXPHMIHQXPI-UHFFFAOYSA-N
BMGC_DG08019,BMG_DG140399,COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)CCC3=O,,"InChI=1S/C19H27N3O3/c1-25-17-7-3-2-6-16(17)21-14-12-20(13-15-21)10-4-5-11-22-18(23)8-9-19(22)24/h2-3,6-7H,4-5,8-15H2,1H3",MQHOGPLXAXSQAJ-UHFFFAOYSA-N
BMGC_DG08020,BMG_DG140407,,,,
BMGC_DG08021,BMG_DG140417,C1=CC(=CC=C1CN)S(=O)(=O)N,S(c1ccc(cc1)CN)(=O)(=O)N,"InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)",TYMRLRRVMHJFTF-UHFFFAOYSA-N
BMGC_DG08022,BMG_DG140418,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,O=P(CC(=O)N[C@H](C(O)=O)CC(O)=O)(O)O,"InChI=1S/C6H10NO8P/c8-4(2-16(13,14)15)7-3(6(11)12)1-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15)/t3-/m0/s1",ZZKNRXZVGOYGJT-VKHMYHEASA-N
BMGC_DG08023,BMG_DG140430,C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)O,C=1(C(=O)C([C@]2([C@@](C1)(C)C=3[C@@](CC2)([C@@]4(C)[C@@](C(=O)C3)([H])[C@@]5(CC(CC[C@]5(C(=O)O)CC4)(C)C)[H])C)[H])(C)C)C#N,"InChI=1S/C31H41NO4/c1-26(2)10-12-31(25(35)36)13-11-30(7)23(19(31)16-26)20(33)14-22-28(5)15-18(17-32)24(34)27(3,4)21(28)8-9-29(22,30)6/h14-15,19,21,23H,8-13,16H2,1-7H3,(H,35,36)/t19-,21-,23-,28-,29+,30+,31-/m0/s1",TXGZJQLMVSIZEI-UQMAOPSPSA-N
BMGC_DG08024,BMG_DG140435,,c1ccc(cc1)CNC(=O)N2CCN(CC2)C3CCCC3,,HVJJGTXESXSGPU-UHFFFAOYSA-N
BMGC_DG08025,BMG_DG140443,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,P(SC(CC(=O)OCC)C(=O)OCC)(=S)(OC)OC,"InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3",JXSJBGJIGXNWCI-UHFFFAOYSA-N
BMGC_DG08026,BMG_DG140451,C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)OC,C=1(C(=O)C([C@]2([C@@](C1)(C)C=3[C@@](CC2)([C@@]4(C)[C@@](C(=O)C3)([H])[C@@]5(CC(CC[C@]5(C(=O)OC)CC4)(C)C)[H])C)[H])(C)C)C#N,"InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1",WPTTVJLTNAWYAO-KPOXMGGZSA-N
BMGC_DG08027,BMG_DG140454,CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC,C1(=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(c3ccccc3)c4ccccc4)c5cc(ccc5)[N+](=O)[O-])C(=O)OC)C,"InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3",ANEBWFXPVPTEET-UHFFFAOYSA-N
BMGC_DG08028,BMG_DG140462,CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24,C12(c3c(cccc3)C(CC1)c4c2cccc4)CCCNC,"InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3",QSLMDECMDJKHMQ-UHFFFAOYSA-N
BMGC_DG08029,BMG_DG140464,COC1=C(C=C(C=C1O)C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C(=C4)O)O)O)O)O)O,O1c2c(c(O)cc(c2)O)C[C@H]([C@H]1c3cc(O)c(c(c3)O)O)OC(c4cc(O)c(c(c4)O)OC)=O,"InChI=1S/C23H20O11/c1-32-22-16(28)4-10(5-17(22)29)23(31)34-19-8-12-13(25)6-11(24)7-18(12)33-21(19)9-2-14(26)20(30)15(27)3-9/h2-7,19,21,24-30H,8H2,1H3/t19-,21-/m1/s1",BMJHAAZDURGGSC-TZIWHRDSSA-N
BMGC_DG08030,BMG_DG140465,C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl,c1c(cc2c(c1)NC(CN=C2c3c(cccc3)Cl)=O)Br,"InChI=1S/C15H10BrClN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)",CGMJQQJSWIRRRL-UHFFFAOYSA-N
BMGC_DG08031,BMG_DG140466,C1=CC2=C(C=C(C=C2)N)C(=C1)O,c12cc(N)ccc1cccc2O,"InChI=1S/C10H9NO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6,12H,11H2",ZYSOYLBBCYWEMB-UHFFFAOYSA-N
BMGC_DG08032,BMG_DG140467,,S1(c2c(ccc(c2)C(=O)O)C(c3c1cccc3)=O)(=O)=O,,KTMTUGYSHWKLNN-UHFFFAOYSA-N
BMGC_DG08033,BMG_DG140468,C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C4=NNN=N4,S1(c2c(ccc(-c3nnn[nH]3)c2)C(c4c1cccc4)=O)(=O)=O,"InChI=1S/C14H8N4O3S/c19-13-9-3-1-2-4-11(9)22(20,21)12-7-8(5-6-10(12)13)14-15-17-18-16-14/h1-7H,(H,15,16,17,18)",VIDCTSLIEZMQRF-UHFFFAOYSA-N
BMGC_DG08034,BMG_DG140492,S,S,InChI=1S/H2S/h1H2,RWSOTUBLDIXVET-UHFFFAOYSA-N
BMGC_DG08035,BMG_DG140493,C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O,N12C(c3ccccc3C1=NCC2)(c4ccc(cc4)Cl)O,"InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2",ZPXSCAKFGYXMGA-UHFFFAOYSA-N
BMGC_DG08036,BMG_DG140495,CC1=NN(C(=O)C1)C2=CC=CC=C2,O=C1N(N=C(C1)C)c2ccccc2,"InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3",QELUYTUMUWHWMC-UHFFFAOYSA-N
BMGC_DG08037,BMG_DG140498,,[N+](C)(C)(C)CC#CCOC(Nc1cc(ccc1)Cl)=O,,DDKOMKXCUXCQBS-UHFFFAOYSA-O
BMGC_DG08038,BMG_DG140502,CC(=O)[N-]S(=O)(=O)C1=CC=C(C=C1)N.[Na+],[Na+].S([N-]C(=O)C)(c1ccc(cc1)N)(=O)=O,"InChI=1S/C8H10N2O3S.Na/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;/h2-5H,9H2,1H3,(H,10,11);/q;+1/p-1",PQMSFAORUFMASU-UHFFFAOYSA-M
BMGC_DG08039,BMG_DG140512,,C(NCC=C=C)CCCNCC=C=C,,IKSQCMLJDHRWOA-UHFFFAOYSA-N
BMGC_DG08040,BMG_DG140520,C1=CC(=CC=C1N)O,c1cc(ccc1N)O,"InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2",PLIKAWJENQZMHA-UHFFFAOYSA-N
BMGC_DG08041,BMG_DG140521,COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3,c1(nc2ccc(cc2[nH]1)C(=O)c3ccccc3)NC(=O)OC,"InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)",OPXLLQIJSORQAM-UHFFFAOYSA-N
BMGC_DG08042,BMG_DG140523,,Nc1nc(-c2ccccc2)cs1,,PYSJLPAOBIGQPK-UHFFFAOYSA-N
BMGC_DG08043,BMG_DG140526,,[n+]1(c2c(c3c(c1)cc(c(c3)OC)OC)ccc4c2cc(c(c4)O)OC)C.[Cl-],,VVEPUJCLNRDIEQ-UHFFFAOYSA-N
BMGC_DG08044,BMG_DG140528,CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC,C(c1cc(OC)c(cc1)OC)(=O)OCCCCN(C(Cc2ccc(OC)cc2)C)CC,"InChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3",VYVKHNNGDFVQGA-UHFFFAOYSA-N
BMGC_DG08045,BMG_DG140533,CC1(C2CCC(C2)C1(C)NC)C,,"InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3",IMYZQPCYWPFTAG-UHFFFAOYSA-N
BMGC_DG08046,BMG_DG140534,C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)N,C(=O)(c1ccccc1)c2cc3nc([nH]c3cc2)N,"InChI=1S/C14H11N3O/c15-14-16-11-7-6-10(8-12(11)17-14)13(18)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)",GPMHHSJZGVOEFS-UHFFFAOYSA-N
BMGC_DG08047,BMG_DG140535,CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C,,"InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3",RLLPVAHGXHCWKJ-UHFFFAOYSA-N
BMGC_DG08048,BMG_DG140536,CN(CCCl)CCCl,N(CCCl)(CCCl)C,"InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3",HAWPXGHAZFHHAD-UHFFFAOYSA-N
BMGC_DG08049,BMG_DG140537,CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl,N1(C(c2ccc(cc2)Cl)c3ccccc3)CCN(CC1)Cc4cc(C)ccc4,"InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3",OCJYIGYOJCODJL-UHFFFAOYSA-N
BMGC_DG08050,BMG_DG140543,CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl,,"InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)/p-1",SBDNJUWAMKYJOX-UHFFFAOYSA-M
BMGC_DG08051,BMG_DG140546,CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)Cl,c1(Nc2c(C(=O)O)cccc2)c(c(C)ccc1Cl)Cl,"InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)",SBDNJUWAMKYJOX-UHFFFAOYSA-N
BMGC_DG08052,BMG_DG140547,,c1ccc2c(c1)COB2O,,XOQABDOICLHPIS-UHFFFAOYSA-N
BMGC_DG08053,BMG_DG140554,CN(C)CCOC(=O)COC1=CC=C(C=C1)Cl,C(=O)(COc1ccc(cc1)Cl)OCCN(C)C,"InChI=1S/C12H16ClNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3",XZTYGFHCIAKPGJ-UHFFFAOYSA-N
BMGC_DG08054,BMG_DG140555,C#CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,c12c(N(C(=O)CN=C1c3ccccc3)CC#C)ccc(c2)Cl,"InChI=1S/C18H13ClN2O/c1-2-10-21-16-9-8-14(19)11-15(16)18(20-12-17(21)22)13-6-4-3-5-7-13/h1,3-9,11H,10,12H2",MFZOSKPPVCIFMT-UHFFFAOYSA-N
BMGC_DG08055,BMG_DG140558,CC(=C[C@H]1C2=C(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=C(N2)C=C(C=C5)OC)C,,"InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1",DBEYVIGIPJSTOR-FHWLQOOXSA-N
BMGC_DG08056,BMG_DG140559,,c1(c(c(O)c(cc1)O)O)C(c2cc(O)c(c(c2)O)O)=O,,XEDWWPGWIXPVRQ-UHFFFAOYSA-N
BMGC_DG08057,BMG_DG140561,CN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,c12C(=NCCN(c1ccc(c2)Cl)C)c3ccccc3,"InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3",YLCXGBZIZBEVPZ-UHFFFAOYSA-N
BMGC_DG08058,BMG_DG140580,,,,
BMGC_DG08059,BMG_DG140593,,c1ccc2c(-c3ccsc3)c4c(ccc5ccccc45)cc2c1,,FJWVAKJBVCNSHF-UHFFFAOYSA-N
BMGC_DG08060,BMG_DG140594,CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C,c1(c(Nc2c(c(C)ccc2)C)cccc1)C(=O)O,"InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)",HYYBABOKPJLUIN-UHFFFAOYSA-N
BMGC_DG08061,BMG_DG140602,C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O,,"InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2",XEEQGYMUWCZPDN-UHFFFAOYSA-N
BMGC_DG08062,BMG_DG140631,,c1(nc(c([nH]1)-c2ccncc2)-c3ccc(cc3)F)-c4ccc(cc4)[S@+]([O-])C,,CDMGBJANTYXAIV-HHHXNRCGSA-N
BMGC_DG08063,BMG_DG140655,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C,,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/p-2/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",VQODGRNSFPNSQE-CXSFZGCWSA-L
BMGC_DG08064,BMG_DG140667,CC1(CCCO1)CN(C)S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N,S(c1cc(S(=O)(=O)N)c(cc1)Cl)(N(CC2(OCCC2)C)C)(=O)=O,"InChI=1S/C13H19ClN2O5S2/c1-13(6-3-7-21-13)9-16(2)23(19,20)10-4-5-11(14)12(8-10)22(15,17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H2,15,17,18)",SMNOERSLNYGGOU-UHFFFAOYSA-N
BMGC_DG08065,BMG_DG140689,CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)[O-],,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/p-1/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",QGJZLNKBHJESQX-FZFNOLFKSA-M
BMGC_DG08066,BMG_DG140705,C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl,c1c(-c2cc(Cl)c(Cl)cc2Cl)cc(Cl)c(Cl)c1Cl,InChI=1S/C12H4Cl6/c13-7-4-9(15)8(14)3-6(7)5-1-10(16)12(18)11(17)2-5/h1-4H,AZXHAWRMEPZSSV-UHFFFAOYSA-N
BMGC_DG08067,BMG_DG140749,CNCC(C(C(C(CO)O)O)O)O,,"InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3",MBBZMMPHUWSWHV-UHFFFAOYSA-N
BMGC_DG08068,BMG_DG140782,CN1C=C(C2=CC=CC=C21)C[C@H](C(=O)O)N,n1(C)c2ccccc2c(C[C@@H](N)C(=O)O)c1,"InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m1/s1",ZADWXFSZEAPBJS-SNVBAGLBSA-N
BMGC_DG08069,BMG_DG140813,,C(P(=O)(O)O)(P(=O)(O)O)(O)Cc1ncccc1,,XXNASZAYANFLID-UHFFFAOYSA-N
BMGC_DG08070,BMG_DG140819,,OP(O)(=O)C(Nc1ccc(Cl)cn1)P(O)(O)=O,,BNMYZGAZFGNKTH-UHFFFAOYSA-N
BMGC_DG08071,BMG_DG140820,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,n1(c([nH]c(o1)=O)=O)C[C@@H](C(O)=O)N,"InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1",ASNFTDCKZKHJSW-REOHCLBHSA-N
BMGC_DG08072,BMG_DG140821,CC12CC3CC(C1)(CC(C3)(C2)N)C,C12(CC3(C)CC(C1)CC(C2)(C3)C)N,"InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3",BUGYDGFZZOZRHP-UHFFFAOYSA-N
BMGC_DG08073,BMG_DG140825,CC1=CC(=O)C2=CC=CC=C2C1=O,C1(C(=CC(c2c1cccc2)=O)C)=O,"InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3",MJVAVZPDRWSRRC-UHFFFAOYSA-N
BMGC_DG08074,BMG_DG140856,C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C,C[N+]1(C)CCCC(C1)OC(=O)C(c2ccccc2)(c3ccccc3)O,"InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1",GKNPSSNBBWDAGH-UHFFFAOYSA-N
BMGC_DG08075,BMG_DG140880,CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2,C1(C(=O)OCC)(CCN(CC1)C)c2ccccc2,"InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3",XADCESSVHJOZHK-UHFFFAOYSA-N
BMGC_DG08076,BMG_DG140889,,S(c1c2c(n(Cc3ccccc3)nn2)ncn1)c4nc5c(o4)cccc5,,HZSOKHVVANONPV-UHFFFAOYSA-N
BMGC_DG08077,BMG_DG140892,CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C,[C@H]1([C@H](C=C(Br)Br)C1(C)C)C(O[C@@H](c2cc(Oc3ccccc3)ccc2)C#N)=O,"InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1",OWZREIFADZCYQD-NSHGMRRFSA-N
BMGC_DG08078,BMG_DG140893,CCC1=NN(C(=O)N1CC)CCCN2CCN(CC2)C3=CC(=CC=C3)Cl,n1(c(n(CCCN2CCN(CC2)c3cc(Cl)ccc3)nc1CC)=O)CC,"InChI=1S/C19H28ClN5O/c1-3-18-21-25(19(26)24(18)4-2)10-6-9-22-11-13-23(14-12-22)17-8-5-7-16(20)15-17/h5,7-8,15H,3-4,6,9-14H2,1-2H3",IZBNNCFOBMGTQX-UHFFFAOYSA-N
BMGC_DG08079,BMG_DG140894,CC1=CC=CC=C1OCC(CO)O,O(c1c(C)cccc1)CC(O)CO,"InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3",JWDYCNIAQWPBHD-UHFFFAOYSA-N
BMGC_DG08080,BMG_DG140897,,C(NC1CCN(CC1)Cc2ccccc2)(=O)c3ccccc3,,LDGORKJXEGHFBK-UHFFFAOYSA-N
BMGC_DG08081,BMG_DG140898,CCC1(C(=O)N(C(=O)N1)C)C2=CC=CC=C2,N1(C(NC(C1=O)(c2ccccc2)CC)=O)C,"InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)",GMHKMTDVRCWUDX-UHFFFAOYSA-N
BMGC_DG08082,BMG_DG140904,,CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1,,YHFMZBHLJMFAID-UHFFFAOYSA-N
BMGC_DG08083,BMG_DG140909,CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C,C(Nc1c(cccc1C)C)(C2N(C)CCCC2)=O,"InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)",INWLQCZOYSRPNW-UHFFFAOYSA-N
BMGC_DG08084,BMG_DG140915,CC1=CN(C(=O)C=C1)C2=CC=CC=C2,n1(c(ccc(c1)C)=O)-c2ccccc2,"InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3",ISWRGOKTTBVCFA-UHFFFAOYSA-N
BMGC_DG08085,BMG_DG140916,CC1=C(C2=C(CCC(O2)(C)C(=O)O)C(=C1O)C)C,c12c(OC(C(O)=O)(C)CC1)c(c(C)c(c2C)O)C,"InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)",GLEVLJDDWXEYCO-UHFFFAOYSA-N
BMGC_DG08086,BMG_DG140923,CCCC(C)(COC(=O)N)COC(=O)N,C(=O)(OCC(COC(=O)N)(CCC)C)N,"InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)",NPPQSCRMBWNHMW-UHFFFAOYSA-N
BMGC_DG08087,BMG_DG140924,,C(P(=O)(O)O)(P(=O)(O)O)(O)Cc1ccncc1,,ZWHKKFUMEGWCKH-UHFFFAOYSA-N
BMGC_DG08088,BMG_DG140931,C1CN2CCC1C(C2)CN3C4=CC=CC=C4SC5=CC=CC=C53,N1(CC2CN3CCC2CC3)c4c(cccc4)Sc5c1cccc5,"InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2",HOKDBMAJZXIPGC-UHFFFAOYSA-N
BMGC_DG08089,BMG_DG140942,C1CCN[C@H](C1)[C@H](C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O,c12nc(C(F)(F)F)cc(c1cccc2C(F)(F)F)[C@@H]([C@@]3(NCCCC3)[H])O;c12c(cccc1C(F)(F)F)c(cc(C(F)(F)F)n2)[C@@H]([C@@]3(NCCCC3)[H])O,"InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1",XEEQGYMUWCZPDN-DOMZBBRYSA-N
BMGC_DG08090,BMG_DG140945,CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C.[Br-],,"InChI=1S/C26H41BrNO4.BrH/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27;/h15,17,19,21-22H,5-14,16,18H2,1-4H3;1H/q+1;/p-1",IKGXLCMLVINENI-UHFFFAOYSA-M
BMGC_DG08091,BMG_DG140947,CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C,,"InChI=1S/C26H41BrNO4/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27/h15,17,19,21-22H,5-14,16,18H2,1-4H3/q+1",DDHUTBKXLWCZCO-UHFFFAOYSA-N
BMGC_DG08092,BMG_DG140958,,N1(C(=NC(=NC1(C)C)N)N)c2cc(Cl)ccc2,,AXIUXECRTOGILY-UHFFFAOYSA-N
BMGC_DG08093,BMG_DG140959,,N1(C(=NC(=NC1(C)C)N)N)c2cc(Br)ccc2,,KOOABGSEBLNWKJ-UHFFFAOYSA-N
BMGC_DG08094,BMG_DG140962,,,,
BMGC_DG08095,BMG_DG140968,,C(#Cc1cncnc1)c2ccccc2,,HSQDWKSXSIUOJC-UHFFFAOYSA-N
BMGC_DG08096,BMG_DG140972,C1=CC(=C(C=C1N)C(=O)O)O,c1(C(=O)O)c(ccc(c1)N)O,"InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)",KBOPZPXVLCULAV-UHFFFAOYSA-N
BMGC_DG08097,BMG_DG140979,COC1=CC(=CC(=C1OC)OC)CCN,c1(c(cc(cc1OC)CCN)OC)OC,"InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3",RHCSKNNOAZULRK-UHFFFAOYSA-N
BMGC_DG08098,BMG_DG140989,C1=CC=C(C=C1)C2=C(SC(=C2)C3=NC(=NO3)C4=CC(=CC=C4)C(F)(F)F)C(F)(F)F,,"InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H",OYMNPJXKQVTQTR-UHFFFAOYSA-N
BMGC_DG08099,BMG_DG140994,CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C,N1(c2cc([S+]([O-])C)ccc2Sc3c1cccc3)CCC4N(C)CCCC4,"InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3",SLVMESMUVMCQIY-UHFFFAOYSA-N
BMGC_DG08100,BMG_DG141011,CN1C(CCC1=O)C2=CN=CC=C2,,"InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3",UIKROCXWUNQSPJ-UHFFFAOYSA-N
BMGC_DG08101,BMG_DG141017,CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC,,"InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3",FQXXSQDCDRQNQE-UHFFFAOYSA-N
BMGC_DG08102,BMG_DG141023,,n1(c2c(-c3ccccc3CC2)cc1-c4ccccc4)-c5cc(C(=O)O)c(cc5)O,,HAWWPSYXSLJRBO-UHFFFAOYSA-N
BMGC_DG08103,BMG_DG141031,,C1COCCN1CCN,,RWIVICVCHVMHMU-UHFFFAOYSA-N
BMGC_DG08104,BMG_DG141035,CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O,,"InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1",HHJUWIANJFBDHT-KOTLKJBCSA-N
BMGC_DG08105,BMG_DG141042,COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3,c1(nc2ccc([S+]([O-])c3ccccc3)cc2[nH]1)NC(=O)OC,"InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)",BEZZFPOZAYTVHN-UHFFFAOYSA-N
BMGC_DG08106,BMG_DG141044,CC(C)NCC(C1=CC(=CC(=C1)O)O)O,c1(cc(O)cc(c1)O)C(CNC(C)C)O,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3",LMOINURANNBYCM-UHFFFAOYSA-N
BMGC_DG08107,BMG_DG141058,CN(C)C(=N)N=C(N)N,C(NC(=N)N)(=N)N(C)C,"InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)",XZWYZXLIPXDOLR-UHFFFAOYSA-N
BMGC_DG08108,BMG_DG141061,CCOC(=O)C(=O)NC1=CC(=CC(=C1Cl)NC(=O)C(=O)OCC)C#N,c1(c(c(NC(C(=O)OCC)=O)cc(C#N)c1)Cl)NC(C(=O)OCC)=O,"InChI=1S/C15H14ClN3O6/c1-3-24-14(22)12(20)18-9-5-8(7-17)6-10(11(9)16)19-13(21)15(23)25-4-2/h5-6H,3-4H2,1-2H3,(H,18,20)(H,19,21)",BNTAPIYHWPPFBW-UHFFFAOYSA-N
BMGC_DG08109,BMG_DG141066,CC1=CC(=CC(=C1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)OC)C,COc1ccc(S(N2CCC[C@H]2C(Nc3cc(C)cc(C)c3)=O)(=O)=O)cc1,"InChI=1S/C20H24N2O4S/c1-14-11-15(2)13-16(12-14)21-20(23)19-5-4-10-22(19)27(24,25)18-8-6-17(26-3)7-9-18/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,21,23)/t19-/m0/s1",NHPQGZOBHSVTAQ-IBGZPJMESA-N
BMGC_DG08110,BMG_DG141071,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2,"InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3",USSIQXCVUWKGNF-UHFFFAOYSA-N
BMGC_DG08111,BMG_DG141074,COP(=O)(N)SC,P(OC)(SC)(N)=O,"InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)",NNKVPIKMPCQWCG-UHFFFAOYSA-N
BMGC_DG08112,BMG_DG141078,CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13,C1(c2c(cccc2)Oc3c1cccc3)C(=O)OCC[N+](CC)(CC)C,"InChI=1S/C21H26NO3/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3/q+1",GZHFODJQISUKAY-UHFFFAOYSA-N
BMGC_DG08113,BMG_DG141079,CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CCCC[C@H]34,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(C(C1)=C)[H])(CCCC4)[H])[H])(CC[C@]2(C#C)O)[H])CC,"InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1",RPLCPCMSCLEKRS-BPIQYHPVSA-N
BMGC_DG08114,BMG_DG141082,OP(=O)([O-])OP(=O)([O-])[O-],,"InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-3",XPPKVPWEQAFLFU-UHFFFAOYSA-K
BMGC_DG08115,BMG_DG141083,CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1,,"InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3",UVYVLBIGDKGWPX-UHFFFAOYSA-N
BMGC_DG08116,BMG_DG141085,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2,N(c1ncccc1)(Cc2sccc2)CCN(C)C,"InChI=1S/C14H19N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3",HNJJXZKZRAWDPF-UHFFFAOYSA-N
BMGC_DG08117,BMG_DG141092,CCC1(C(=O)NC(=O)N(C1=O)C)CC,N1(C(NC(C(C1=O)(CC)CC)=O)=O)C,"InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)",FWJKNZONDWOGMI-UHFFFAOYSA-N
BMGC_DG08118,BMG_DG141095,CC(=O)N=C1N(N=C(S1)S(=O)(=O)N)C,c1(s/c(=N\C(=O)C)/n(C)n1)S(=O)(=O)N;c1(S(=O)(=O)N)nn(C)/c(=N\C(C)=O)/s1,"InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)",FLOSMHQXBMRNHR-DAXSKMNVSA-N;FLOSMHQXBMRNHR-UHFFFAOYSA-N;FLOSMHQXBMRNHR-QPJJXVBHSA-N
BMGC_DG08119,BMG_DG141098,,Cc1cc(ccc1)CCN,,GUERDLPJJJMIEU-UHFFFAOYSA-N
BMGC_DG08120,BMG_DG141099,,CCCCc1ccc(cc1)B(O)O,,UGZUUTHZEATQAM-UHFFFAOYSA-N
BMGC_DG08121,BMG_DG141100,C=CN1CCCC1=O.II,,"InChI=1S/C6H9NO.I2/c1-2-7-5-3-4-6(7)8;1-2/h2H,1,3-5H2;",CPKVUHPKYQGHMW-UHFFFAOYSA-N
BMGC_DG08122,BMG_DG141101,,c12c(nc3ccccc3n1)cc(c(c2)N)N,,VZPGINJWPPHRLS-UHFFFAOYSA-N
BMGC_DG08123,BMG_DG141102,C1N2CN3CN1CN(C2)C3,N12CN3CN(C1)CN(C2)C3,InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2,VKYKSIONXSXAKP-UHFFFAOYSA-N
BMGC_DG08124,BMG_DG141116,CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O,CN1CC(CCCC1)(CC)c2cccc(O)c2,"InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3",JLICHNCFTLFZJN-UHFFFAOYSA-N
BMGC_DG08125,BMG_DG141119,CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC,C1(c2c(Sc3c(C1)cccc3)ccc(c2)SC)N4CCN(C)CC4,"InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3",RLJFTICUTYVZDG-UHFFFAOYSA-N
BMGC_DG08126,BMG_DG141120,COC1=CC=CC=C1OCC(COC(=O)N)O,C(=O)(OCC(COc1c(OC)cccc1)O)N,"InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)",GNXFOGHNGIVQEH-UHFFFAOYSA-N
BMGC_DG08127,BMG_DG141121,COC1=CC=CC=C1CNCCCCCCNCCCCCCCCNCCCCCCNCC2=CC=CC=C2OC,c1cc(c(OC)cc1)CNCCCCCCNCCCCCCCCNCCCCCCNCc2c(cccc2)OC,"InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3",RPMBYDYUVKEZJA-UHFFFAOYSA-N
BMGC_DG08128,BMG_DG141144,CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,n1c(c2nc(CN(c3ccc(C(NC(C(=O)O)CCC(=O)O)=O)cc3)C)cnc2nc1N)N,"InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)",FBOZXECLQNJBKD-UHFFFAOYSA-N
BMGC_DG08129,BMG_DG141145,,,,
BMGC_DG08130,BMG_DG141149,CON,NOC,"InChI=1S/CH5NO/c1-3-2/h2H2,1H3",GMPKIPWJBDOURN-UHFFFAOYSA-N
BMGC_DG08131,BMG_DG141152,COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,c12c(c3occc3cc1ccc(o2)=O)OC,"InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3",QXKHYNVANLEOEG-UHFFFAOYSA-N
BMGC_DG08132,BMG_DG141156,COC(C(Cl)Cl)(F)F,C(C(Cl)Cl)(F)(F)OC,"InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3",RFKMCNOHBTXSMU-UHFFFAOYSA-N
BMGC_DG08133,BMG_DG141161,CC(CC1=CC=CC=C1OC)NC,c1(CC(NC)C)c(OC)cccc1,"InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3",OEHAYUOVELTAPG-UHFFFAOYSA-N
BMGC_DG08134,BMG_DG141162,,c1c(cccc1)CCN2CCCC2,,KLUCWWVQVUXBSE-UHFFFAOYSA-N
BMGC_DG08135,BMG_DG141163,,O=C1Nc2ccc(S(=O)(=O)N3CCCC3)cc2C1=O,,QKCWUYHXHMXOLG-UHFFFAOYSA-N
BMGC_DG08136,BMG_DG141164,,C1CCN(CC1)S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3,,YATIWPMEKYVTAO-UHFFFAOYSA-N
BMGC_DG08137,BMG_DG141167,C1CCN(CC1)C(=O)C2=CC3=NON=C3C=C2,c1(C(N2CCCCC2)=O)cc3nonc3cc1,"InChI=1S/C12H13N3O2/c16-12(15-6-2-1-3-7-15)9-4-5-10-11(8-9)14-17-13-10/h4-5,8H,1-3,6-7H2",XFVRBYKKGGDPAJ-UHFFFAOYSA-N
BMGC_DG08138,BMG_DG141174,C1CC(NC1)C2=CN=CC=C2,,"InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2",MYKUKUCHPMASKF-UHFFFAOYSA-N
BMGC_DG08139,BMG_DG141178,CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CCl,S1(N(C(CCl)Nc2c1cc(S(=O)(=O)N)c(Cl)c2)C)(=O)=O,"InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)",CESYKOGBSMNBPD-UHFFFAOYSA-N
BMGC_DG08140,BMG_DG141179,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N,O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO)n2c3ncnc(N)c3nc2,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",LNQVTSROQXJCDD-KQYNXXCUSA-N
BMGC_DG08141,BMG_DG141184,COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CS3,c12c([nH]c(n1)NC(OC)=O)ccc(c2)C(c3cccs3)=O,"InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)",KYRVNWMVYQXFEU-UHFFFAOYSA-N
BMGC_DG08142,BMG_DG141222,C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C6C(O6)C(C5O)O)C=C2,,"InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H",DQEPMTIXHXSFOR-UHFFFAOYSA-N
BMGC_DG08143,BMG_DG141223,COC(=O)C1=CC=CC=C1O,c1(C(=O)OC)c(O)cccc1,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",OSWPMRLSEDHDFF-UHFFFAOYSA-N
BMGC_DG08144,BMG_DG141231,CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCC[N+](C)(C)CC2=CC=CC=C2,c1(c(cc(C(CC(C)(C)C)(C)C)cc1)C)OCCOCC[N+](Cc2ccccc2)(C)C,"InChI=1S/C28H44NO2/c1-23-20-25(28(5,6)22-27(2,3)4)14-15-26(23)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24/h9-15,20H,16-19,21-22H2,1-8H3/q+1",UQOOPIMXBSPVJI-UHFFFAOYSA-N
BMGC_DG08145,BMG_DG141239,CC1=C(N=CN1)CSCCNC(=NCCCC2=CN=CN2)N,c1(c([nH]cn1)C)CSCCNC(NCCCc2c[nH]cn2)=N,"InChI=1S/C14H23N7S/c1-11-13(21-10-19-11)8-22-6-5-18-14(15)17-4-2-3-12-7-16-9-20-12/h7,9-10H,2-6,8H2,1H3,(H,16,20)(H,19,21)(H3,15,17,18)",MURRAGMMNAYLNA-UHFFFAOYSA-N
BMGC_DG08146,BMG_DG141247,CC(C1=CC(=C(C=C1)Cl)Cl)N2C(=O)CC(=N2)N,N1(N=C(N)CC1=O)C(c2cc(Cl)c(cc2)Cl)C,"InChI=1S/C11H11Cl2N3O/c1-6(16-11(17)5-10(14)15-16)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H2,14,15)",RLWRMIYXDPXIEX-UHFFFAOYSA-N
BMGC_DG08147,BMG_DG141250,CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2,CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1,"InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1",RBTBFTRPCNLSDE-UHFFFAOYSA-N
BMGC_DG08148,BMG_DG141251,,C(c1cc(C(=O)Nc2ccc(cc2)C3=NCCN3)ccc1)(=O)Nc4ccc(cc4)C5=NCCN5,,WNLQABWBUXJQHU-UHFFFAOYSA-N
BMGC_DG08149,BMG_DG141256,CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C,,"InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)",UNBRKDKAWYKMIV-UHFFFAOYSA-N
BMGC_DG08150,BMG_DG141261,CC1=CC=C(O1)C[N+](C)(C)C,c1(oc(C)cc1)C[N+](C)(C)C,"InChI=1S/C9H16NO/c1-8-5-6-9(11-8)7-10(2,3)4/h5-6H,7H2,1-4H3/q+1",KOWVJDFMEZKDDT-UHFFFAOYSA-N
BMGC_DG08151,BMG_DG141268,,c1cc(ccc1S(=O)(=O)O)/N=C2/C=CC(/C=C2)=C(\c3ccc(cc3)Nc4ccc(cc4)S(=O)(=O)O)/c5cc(c(c(c5)S(=O)(O)=O)N)C,,WXESCRGMRLUOGU-QEPWNDFDSA-N
BMGC_DG08152,BMG_DG141274,,C1(c2c(OCc3c1cccc3)ccc(c2)CC(=O)O)=O,,QFGMXJOBTNZHEL-UHFFFAOYSA-N
BMGC_DG08153,BMG_DG141284,,CC(C)n1cnc2c(N)ncnc12,,BCMZIPWCRGOWEV-UHFFFAOYSA-N
BMGC_DG08154,BMG_DG141289,CC(C1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3)O,C1(NC(=O)C(Cc2ccc(OCCc3ccc(C(O)C)cn3)cc2)S1)=O,"InChI=1S/C19H20N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)21-19(24)26-17/h2-7,11-12,17,22H,8-10H2,1H3,(H,21,23,24)",OXVFDZYQLGRLCD-UHFFFAOYSA-N
BMGC_DG08155,BMG_DG141301,,,,
BMGC_DG08156,BMG_DG141339,,Clc1c(cccc1)N2CCNCC2,,PWZDJIUQHUGFRJ-UHFFFAOYSA-N
BMGC_DG08157,BMG_DG141345,,O=C(Nc1cc(-c2ccccc2)nn1-c3ccccc3)c4ccccc4,,AYVLYDAJDALPHK-UHFFFAOYSA-N
BMGC_DG08158,BMG_DG141350,COC(=O)C(C1CCCCN1)C2=CC=CC=C2,,"InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3",DUGOZIWVEXMGBE-UHFFFAOYSA-N
BMGC_DG08159,BMG_DG141365,,c12c(C(c3c(CC1)cc(cc3)Cl)=C4CCN(CC4)C(=O)OCC)nccc2CO,,BCKYTUFUNAGTDV-UHFFFAOYSA-N
BMGC_DG08160,BMG_DG141366,CCC1(C(=O)C(CNC1=O)C)CC,C1(C(C(C)CNC1=O)=O)(CC)CC,"InChI=1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13)",SIDLZWOQUZRBRU-UHFFFAOYSA-N
BMGC_DG08161,BMG_DG141378,CC1=CC2=C(C=C1S(=O)(=O)N)S(=O)(=O)CCC2,c12S(=O)(=O)CCCc1cc(C)c(S(N)(=O)=O)c2,"InChI=1S/C10H13NO4S2/c1-7-5-8-3-2-4-16(12,13)10(8)6-9(7)17(11,14)15/h5-6H,2-4H2,1H3,(H2,11,14,15)",FNQQBFNIYODEMB-UHFFFAOYSA-N
BMGC_DG08162,BMG_DG141384,,C(C)(C)(c1ccc(OCC(CCl)O)cc1)c2ccc(OCC(CO)O)cc2,,HDTYUHNZRYZEEB-UHFFFAOYSA-N
BMGC_DG08163,BMG_DG141386,CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C24,C1(c2c(cccc2)Sc3c1cccc3)CC4CN(C)CCC4,"InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3",MJFJKKXQDNNUJF-UHFFFAOYSA-N
BMGC_DG08164,BMG_DG141389,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl,c1(c(cc(c(c1)Cl)N)OC)C(=O)NCCN(CC)CC,"InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)",TTWJBBZEZQICBI-UHFFFAOYSA-N
BMGC_DG08165,BMG_DG141390,CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-],c1(sc(NC(c2c(OC(=O)C)cccc2)=O)nc1)[N+]([O-])=O,"InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)",YQNQNVDNTFHQSW-UHFFFAOYSA-N
BMGC_DG08166,BMG_DG141398,CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC,N(C(CC)=O)(C1(COC)CCN(CC1)CCc2cccs2)c3ccccc3,"InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3",GGCSSNBKKAUURC-UHFFFAOYSA-N
BMGC_DG08167,BMG_DG141401,CC1NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3C)S(=O)(=O)N)Cl,N1(C(c2cc(S(=O)(=O)N)c(cc2NC1C)Cl)=O)c3c(C)cccc3,"InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)",AQCHWTWZEMGIFD-UHFFFAOYSA-N
BMGC_DG08168,BMG_DG141404,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O,N(CC(COc1ccc(cc1)CCOC)O)C(C)C,"InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3",IUBSYMUCCVWXPE-UHFFFAOYSA-N
BMGC_DG08169,BMG_DG141410,CC1=NC=C(N1CCO)[N+](=O)[O-],c1(n(c(C)nc1)CCO)[N+]([O-])=O,"InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3",VAOCPAMSLUNLGC-UHFFFAOYSA-N
BMGC_DG08170,BMG_DG141413,CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2,C(C(c1cnccc1)(C)C)(c2cnccc2)=O,"InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3",FJLBFSROUSIWMA-UHFFFAOYSA-N
BMGC_DG08171,BMG_DG141414,,c1(C(c2ccccc2)=O)cc(c(Cl)cc1)[N+](=O)[O-],,YBDBYPQFIMSFJW-UHFFFAOYSA-N
BMGC_DG08172,BMG_DG141415,CCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O,,"InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14?,17?,19-,22?,27?,33-/m0/s1",ZOCKGBMQLCSHFP-ZQUOIQDWSA-N
BMGC_DG08173,BMG_DG141424,CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl,C1(C)COC2(c3c(cccc3)Cl)c4c(NC(CN21)=O)ccc(c4)Cl,"InChI=1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)",ANUCDXCTICZJRH-UHFFFAOYSA-N
BMGC_DG08174,BMG_DG141426,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO,,"InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1",XUFXOAAUWZOOIT-UGEKTDRHSA-N
BMGC_DG08175,BMG_DG141428,CC1=C(C(=CC=C1)C)OCC(C)N,c1(OCC(N)C)c(cccc1C)C,"InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3",VLPIATFUUWWMKC-UHFFFAOYSA-N
BMGC_DG08176,BMG_DG141429,CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C,S(NC(NC(C)C)=O)(c1c(Nc2cc(C)ccc2)ccnc1)(=O)=O,"InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)",NGBFQHCMQULJNZ-UHFFFAOYSA-N
BMGC_DG08177,BMG_DG141432,C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N,,"InChI=1S/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,24,26)",PZCFFCOJNXGTIM-UHFFFAOYSA-N
BMGC_DG08178,BMG_DG141447,CC(CCC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C=C3)O)C(=O)N)O,c1(cc(C(CNC(CCc2cc3OCOc3cc2)C)O)ccc1O)C(=O)N,"InChI=1S/C20H24N2O5/c1-12(2-3-13-4-7-18-19(8-13)27-11-26-18)22-10-17(24)14-5-6-16(23)15(9-14)20(21)25/h4-9,12,17,22-24H,2-3,10-11H2,1H3,(H2,21,25)",MPQWSYJGFLADEW-UHFFFAOYSA-N
BMGC_DG08179,BMG_DG141449,CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42,N12C(c3c(cccc3)Cc4c1cccc4)CN(CC2)C,"InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3",UEQUQVLFIPOEMF-UHFFFAOYSA-N
BMGC_DG08180,BMG_DG141462,C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O,c12c(C(=O)c3c(C1=O)cccc3OC)c(O)c4c(c2O)C[C@](C(=O)CO)(O)C[C@@H]4O[C@@]5(O[C@@H](C)[C@@H]([C@H](C5)N)O)[H],"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1",AOJJSUZBOXZQNB-VTZDEGQISA-N
BMGC_DG08181,BMG_DG141472,C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl,c1(c(cc(cc1)Cl)Cl)C(Cn2cncc2)OCc3c(cc(cc3)Cl)Cl,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2",BYBLEWFAAKGYCD-UHFFFAOYSA-N
BMGC_DG08182,BMG_DG141474,,N1(C(=NC(=NC1(C)C)N)N)c2cc(CCCCc3cc(N)ccc3)ccc2,,WNZMAGKIGDUEIH-UHFFFAOYSA-N
BMGC_DG08183,BMG_DG141485,CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F,n12-c3c(C(c4c(F)cccc4)=NCc1cnc2C)cc(cc3)Cl,"InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3",DDLIGBOFAVUZHB-UHFFFAOYSA-N
BMGC_DG08184,BMG_DG141497,CCOC(=O)C1=C(C2=C(C=C1C)C(=NNC2=O)CO)C,c12c(c(C)c(c(c1)C)C(=O)OCC)c(=O)[nH]nc2CO,"InChI=1S/C14H16N2O4/c1-4-20-14(19)11-7(2)5-9-10(6-17)15-16-13(18)12(9)8(11)3/h5,17H,4,6H2,1-3H3,(H,16,18)",DUQOOLBWGUKRAJ-UHFFFAOYSA-N
BMGC_DG08185,BMG_DG141499,COC1=CC(=C(C=C1)OC)C(CNC(=O)CN)O,c1(c(ccc(c1)OC)OC)C(CNC(=O)CN)O,"InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)",PTKSEFOSCHHMPD-UHFFFAOYSA-N
BMGC_DG08186,BMG_DG141505,CC1=C(C(=S)C=CO1)O,,"InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3",GKLSXUGPECNEMX-UHFFFAOYSA-N
BMGC_DG08187,BMG_DG141508,CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2,c1(cc(-c2ccncc2)c([nH]c1=O)C)C#N,"InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)",PZRHRDRVRGEVNW-UHFFFAOYSA-N
BMGC_DG08188,BMG_DG141511,,,,
BMGC_DG08189,BMG_DG141513,CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC=CC=C3,c1(ccccc1)-c2nnc(NCCN3CCOCC3)c(C)c2,"InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)",LDMWSLGGVTVJPG-UHFFFAOYSA-N
BMGC_DG08190,BMG_DG141518,CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O,[C@@]1(C(=O)N2[C@@]1(SCC(=C2C(O)=O)CSc3n(nnn3)C)[H])(NC(=O)CSCC#N)OC,"InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1",SNBUBQHDYVFSQF-HIFRSBDPSA-N
BMGC_DG08191,BMG_DG141519,C1CCN(CC1)C2=NC(=N)N(C(=C2)N)O,[n+]1(c(nc(cc1N)N2CCCCC2)N)[O-],"InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6,11,15H,1-5,10H2",ZIMGGGWCDYVHOY-UHFFFAOYSA-N;ZFMITUMMTDLWHR-UHFFFAOYSA-N
BMGC_DG08192,BMG_DG141530,C1=CC2=C(C(=C1)Cl)NC(=O)C=C2,,"InChI=1S/C9H6ClNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)",JNXUGJMCFLONJN-UHFFFAOYSA-N
BMGC_DG08193,BMG_DG141531,CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4,N12C(c3c(cccc3)Cc4c1nccc4)CN(CC2)C,"InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3",RONZAEMNMFQXRA-UHFFFAOYSA-N
BMGC_DG08194,BMG_DG141570,C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,C(c1c(Cl)cccc1)(C(Cl)Cl)c2ccc(cc2)Cl,"InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H",JWBOIMRXGHLCPP-UHFFFAOYSA-N
BMGC_DG08195,BMG_DG141571,C(C(F)(F)F)(OC(F)F)F,C(C(OC(F)F)F)(F)(F)F,"InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H",DPYMFVXJLLWWEU-UHFFFAOYSA-N
BMGC_DG08196,BMG_DG141575,C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO,c12c(C(=O)c3c(C1=O)c(ccc3O)O)c(NCCNCCO)ccc2NCCNCCO,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2",KKZJGLLVHKMTCM-UHFFFAOYSA-N
BMGC_DG08197,BMG_DG141579,C1=C2C3=CC(=C(C(=C3OC2=CC(=C1Cl)Cl)Cl)Cl)Cl,c12c3c(cc(Cl)c(c3)Cl)oc1c(c(Cl)c(c2)Cl)Cl,InChI=1S/C12H3Cl5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/h1-3H,OGBQILNBLMPPDP-UHFFFAOYSA-N
BMGC_DG08198,BMG_DG141580,C1=CC2=C(C=C1Cl)C3=CC(=C(C=C3O2)Cl)Cl,c12c3c(ccc(c3)Cl)oc1cc(Cl)c(Cl)c2,InChI=1S/C12H5Cl3O/c13-6-1-2-11-7(3-6)8-4-9(14)10(15)5-12(8)16-11/h1-5H,NUNSNNOYACKRIK-UHFFFAOYSA-N
BMGC_DG08199,BMG_DG141582,C1=CC=C2C(=C1)C3=CC(=C(C(=C3O2)Cl)Cl)Cl,c12c3c(cccc3)oc1c(Cl)c(Cl)c(Cl)c2,InChI=1S/C12H5Cl3O/c13-8-5-7-6-3-1-2-4-9(6)16-12(7)11(15)10(8)14/h1-5H,YDLADWPBKZODCJ-UHFFFAOYSA-N
BMGC_DG08200,BMG_DG141585,C1=C(C=C(C2=C1C3=CC(=C(C=C3O2)Cl)Cl)Cl)Cl,c12c3c(c(cc(c3)Cl)Cl)oc1cc(Cl)c(Cl)c2,InChI=1S/C12H4Cl4O/c13-5-1-7-6-3-8(14)9(15)4-11(6)17-12(7)10(16)2-5/h1-4H,SPMZHWVRMWWTSY-UHFFFAOYSA-N
BMGC_DG08201,BMG_DG141590,C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C(=C23)Cl)Cl)Cl,c12c(c(Cl)c(Cl)cc1oc3cc(Cl)c(Cl)cc32)Cl,InChI=1S/C12H3Cl5O/c13-5-1-4-8(2-6(5)14)18-9-3-7(15)11(16)12(17)10(4)9/h1-3H,SBMIVUVRFPGOEB-UHFFFAOYSA-N
BMGC_DG08202,BMG_DG141592,C1=C2C3=C(C(=C(C=C3OC2=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,c12c3c(c(c(Cl)c(c3)Cl)Cl)oc1cc(Cl)c(c2Cl)Cl,InChI=1S/C12H2Cl6O/c13-4-1-3-7-6(2-5(14)8(15)10(7)17)19-12(3)11(18)9(4)16/h1-2H,JEYJJJXOFWNEHN-UHFFFAOYSA-N
BMGC_DG08203,BMG_DG141597,C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3I,S(c1c2c(c(I)ccc2)ccc1)(N3CCNCCC3)(=O)=O,"InChI=1S/C15H17IN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2",GEHJIACZUFWBTK-UHFFFAOYSA-N
BMGC_DG08204,BMG_DG141602,,c12c(c(ccc1)Cl)cccc2S(N3CCCNCC3)(=O)=O,,OZSMSRIUUDGTEP-UHFFFAOYSA-N
BMGC_DG08205,BMG_DG141612,C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-],,"InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)/p-1",PSZYNBSKGUBXEH-UHFFFAOYSA-M
BMGC_DG08206,BMG_DG141617,CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C2=CC=CC=C2,c1cc(C(NC(Cc2ccc(cc2)OCCN(CC)CC)C(=O)N(CCC)CCC)=O)ccc1,"InChI=1S/C28H41N3O3/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32)",FDBWMYOFXWMGEY-UHFFFAOYSA-N
BMGC_DG08207,BMG_DG141634,,NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2)cc1,,CQMWNAHSFVPGJL-UHFFFAOYSA-N
BMGC_DG08208,BMG_DG141641,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,C(c1ccc(cc1)Cl)(=O)NCCN2CCOCC2,"InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)",YHXISWVBGDMDLQ-UHFFFAOYSA-N
BMGC_DG08209,BMG_DG141643,C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N,[S+](CC(=O)N)(C(c1ccccc1)c2ccccc2)[O-],"InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)",YFGHCGITMMYXAQ-UHFFFAOYSA-N
BMGC_DG08210,BMG_DG141645,COC1=CC=C(C=C1)C2=C(ON=C2C3=CC=C(C=C3)OC)CC(=O)O,o1c(CC(O)=O)c(-c2ccc(cc2)OC)c(-c3ccc(OC)cc3)n1,"InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)",DJEIHHYCDCTAAH-UHFFFAOYSA-N
BMGC_DG08211,BMG_DG141650,CC(C)NC[C@@H](COC1=CC=C(C=C1)O)O,CC(C)NC[C@H](O)COc1ccc(O)cc1,"InChI=1S/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3/t11-/m0/s1",ADUKCCWBEDSMEB-NSHDSACASA-N
BMGC_DG08212,BMG_DG141666,CC1=CC=C(C=C1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)O,Fc1ccc(C(=O)CCCN2CCC(CC2)(c3ccc(cc3)C)O)cc1,"InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3",AGAHNABIDCTLHW-UHFFFAOYSA-N
BMGC_DG08213,BMG_DG141677,CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O,,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3",BQJCRHHNABKAKU-UHFFFAOYSA-N
BMGC_DG08214,BMG_DG141684,COC(=O)C1=CC=CC=C1S(=O)(=O)N,,"InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)",VSOOBQALJVLTBH-UHFFFAOYSA-N
BMGC_DG08215,BMG_DG141686,CCN(CC)CCCCCCNC1=CC(=CC2=C(C=CN=C12)C)OC,c12c(cc(cc1NCCCCCCN(CC)CC)OC)c(C)ccn2,"InChI=1S/C21H33N3O/c1-5-24(6-2)14-10-8-7-9-12-22-20-16-18(25-4)15-19-17(3)11-13-23-21(19)20/h11,13,15-16,22H,5-10,12,14H2,1-4H3",RVAKDGYPIVSYEU-UHFFFAOYSA-N
BMGC_DG08216,BMG_DG141691,CC1=CC=CC=C1C(C2CN3CCC2CC3)(C4=CC=CC=C4C)O,C1CC2CCN1CC2C(c3c(cccc3)C)(c4c(cccc4)C)O,"InChI=1S/C22H27NO/c1-16-7-3-5-9-19(16)22(24,20-10-6-4-8-17(20)2)21-15-23-13-11-18(21)12-14-23/h3-10,18,21,24H,11-15H2,1-2H3",OXDOWGVJMITMJL-UHFFFAOYSA-N
BMGC_DG08217,BMG_DG141698,C1CCN2C(C1)NC(=O)C23CCN(CC3)CCCN4C5=CC=CC=C5CCC6=C4C=C(C=C6)Cl,c1cc2c(N(CCCN3CCC4(C(NC5CCCCN54)=O)CC3)c6c(CC2)ccc(Cl)c6)cc1,"InChI=1S/C28H35ClN4O/c29-23-12-11-22-10-9-21-6-1-2-7-24(21)32(25(22)20-23)16-5-15-31-18-13-28(14-19-31)27(34)30-26-8-3-4-17-33(26)28/h1-2,6-7,11-12,20,26H,3-5,8-10,13-19H2,(H,30,34)",PXUIZULXJVRBPC-UHFFFAOYSA-N
BMGC_DG08218,BMG_DG141699,CC1=CC(=C(C=C1NC(=O)C2=C(C(=CC(=C2)I)I)O)Cl)C(C#N)C3=CC=C(C=C3)Cl,c1(C(c2ccc(Cl)cc2)C#N)c(cc(NC(c3c(c(cc(c3)I)I)O)=O)c(c1)C)Cl,"InChI=1S/C22H14Cl2I2N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29/h2-9,17,29H,1H3,(H,28,30)",JMPFSEBWVLAJKM-UHFFFAOYSA-N
BMGC_DG08219,BMG_DG141702,,,,
BMGC_DG08220,BMG_DG141706,,N1=C(c2c(cccc2)NC(C1N)=O)c3ccccc3,,GLUWBSPUUGLXCW-UHFFFAOYSA-N
BMGC_DG08221,BMG_DG141708,,CCCCNC(=O)c1ccc2c(c1)N=C(c3ccc(F)c(Cl)c3)c4ccccc4S2,,OHOQFGDSEWQDAX-UHFFFAOYSA-N
BMGC_DG08222,BMG_DG141711,CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCCN(C)C,c1(cc(OC(=O)C)c(cc1OCCN(C)C)C)C(C)C,"InChI=1S/C16H25NO3/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6/h9-11H,7-8H2,1-6H3",VRYMTAVOXVTQEF-UHFFFAOYSA-N
BMGC_DG08223,BMG_DG141716,CC(C)C(=O)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Br)OC)C(=C2)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O,[C@]1([C@@](NC([C@@H]2C[C@@H](Oc3cc(nc4c(c(OC)ccc43)Br)-c5nc(sc5)NC(C(C)C)=O)CN2C([C@H](C(C)(C)C)NC(OC6CCCC6)=O)=O)=O)(C(O)=O)C1)(C=C)[H],"InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21-,23-,27+,32-,40-/m1/s1",LLGDPTDZOVKFDU-XUHJSTDZSA-N
BMGC_DG08224,BMG_DG141753,,Oc1c(CC=C(C)C)cc(cc1)\C=C\C(c2ccc3c(c2O)C=CC(O3)(C)C)=O,,WRNYEZGVIHDIGH-YRNVUSSQSA-N
BMGC_DG08225,BMG_DG141784,,,,
BMGC_DG08226,BMG_DG141785,,,,
BMGC_DG08227,BMG_DG141796,,,,
BMGC_DG08228,BMG_DG141804,,CCN(C)c1oc2c(n1)ccc(c2)C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OCc4scnc4,,RGTBBKSFLZZHLT-IZZNHLLZSA-N
BMGC_DG08229,BMG_DG141805,C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3,C(Nc1c(N)cccc1)(c2ccc(CNC(=O)OCc3cnccc3)cc2)=O,"InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)",INVTYAOGFAGBOE-UHFFFAOYSA-N
BMGC_DG08230,BMG_DG141808,C[C@H](C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=C(C=C3)CC(C)C)NC4CC(C4)C(=O)O,,"InChI=1S/C25H29N3O3/c1-15(2)12-17-4-6-20(7-5-17)24-27-23(28-31-24)19-10-8-18(9-11-19)16(3)26-22-13-21(14-22)25(29)30/h4-11,15-16,21-22,26H,12-14H2,1-3H3,(H,29,30)/t16-,21?,22?/m1/s1",JRZJZOSWCNBQFS-NYYVNYEXSA-N
BMGC_DG08231,BMG_DG141811,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C)O,C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@@](CC3)(C[C@@H](CC4)O)[H])[H])[H])(CC[C@]2(C#C)O)[H],"InChI=1S/C21H32O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,14-18,22-23H,5-13H2,2-3H3/t14-,15+,16+,17-,18-,19-,20-,21-/m0/s1",CKAXZOYFIHQCBN-JRRMKBMNSA-N
BMGC_DG08232,BMG_DG141813,CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F,c1c(cnc2[nH]cc(C(c3c(F)c(NS(CCC)(=O)=O)ccc3F)=O)c21)-c4ccc(Cl)cc4,"InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)",GPXBXXGIAQBQNI-UHFFFAOYSA-N
BMGC_DG08233,BMG_DG141815,,FC(F)(F)c1ccc2[nH]c3ccccc3c2c1,,JGFJDDMRCMCZMU-UHFFFAOYSA-N
BMGC_DG08234,BMG_DG141819,C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CNCCO)N)N)NC(=O)[C@H](CCN)O)O,C(N[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@H]2OC[C@@]([C@@H]([C@H]2O)NC)(O)C)O)O[C@H]3OC(=CC[C@H]3N)CNCCO)N)([C@H](CCN)O)=O,"InChI=1S/C25H48N6O10/c1-25(37)11-38-24(18(35)21(25)29-2)41-20-15(31-22(36)16(33)5-6-26)9-14(28)19(17(20)34)40-23-13(27)4-3-12(39-23)10-30-7-8-32/h3,13-21,23-24,29-30,32-35,37H,4-11,26-28H2,1-2H3,(H,31,36)/t13-,14+,15-,16+,17+,18-,19-,20+,21-,23-,24-,25+/m1/s1",IYDYFVUFSPQPPV-PEXOCOHZSA-N
BMGC_DG08235,BMG_DG141823,,,,
BMGC_DG08236,BMG_DG141824,,,,
BMGC_DG08237,BMG_DG141826,,COc1cc(OC)c2[nH]c(=O)cc(C)c2c1,,TZVDVDRNKWYRNO-UHFFFAOYSA-N
BMGC_DG08238,BMG_DG141841,,S(=O)(=O)(NC(C)(C)C)c1cc(-c2cn3nc(nc3c(F)c2)N)cnc1,,RXRZPHQBTHQXSV-UHFFFAOYSA-N
BMGC_DG08239,BMG_DG141847,,c1(cc(cc(n1)CC(C)F)C)N,,MBHRCNFCHFHUKZ-UHFFFAOYSA-N
BMGC_DG08240,BMG_DG141849,,CC(C)=Cc1cc(C)cc(N)n1,,BHPPONCQQUIFAK-UHFFFAOYSA-N
BMGC_DG08241,BMG_DG141855,,,,
BMGC_DG08242,BMG_DG141856,,,,
BMGC_DG08243,BMG_DG141859,,,,
BMGC_DG08244,BMG_DG141860,,,,
BMGC_DG08245,BMG_DG141861,,,,
BMGC_DG08246,BMG_DG141862,,,,
BMGC_DG08247,BMG_DG141863,,,,
BMGC_DG08248,BMG_DG141879,,C(n1c2ccc(C)cc2c3CN(C)CCc13)Cc4ccccc4,,IBUHDDLETPJVGP-UHFFFAOYSA-N
BMGC_DG08249,BMG_DG141888,,C(N1c2c(C(C1=O)=O)cc(cc2)OC(F)(F)F)c3ccc(cc3)OC,,CKLGZXFOLMHCMC-UHFFFAOYSA-N
BMGC_DG08250,BMG_DG141892,CC(C)(C1=CC=CN2C1=NN=C2C3(CC3)C4=CC=C(C=C4)Cl)O,c1(c2n(ccc1)c(nn2)C3(c4ccc(cc4)Cl)CC3)C(C)(O)C,"InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3",PTIFVLOBVCIMKL-UHFFFAOYSA-N
BMGC_DG08251,BMG_DG141893,,O=C1CCC(F)(F)[C@@H](N1C[C@@H](N)CC(N2CCc3c(C(F)(F)F)nc(C(F)(F)F)nc3C2)=O)O,,DMXWXVXGQLCKOY-AYVTZFPOSA-N
BMGC_DG08252,BMG_DG141895,CC1=C(N=C(C(=N1)C)C(=O)N)C2=CC=C(C=C2)C3CCC(CC3)CC(=O)O,[C@@H]1(CC[C@@H](CC1)c2ccc(cc2)-c3c(nc(c(n3)C(=O)N)C)C)CC(=O)O,"InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)",YXFNPRHZMOGREC-SHTZXODSSA-N;YXFNPRHZMOGREC-UHFFFAOYSA-N
BMGC_DG08253,BMG_DG141900,C[C@H](CN1CCOCC1)N2C3=C(C=C(C=C3)/C=C\4/C5=C(C=C(C=C5)F)OCC6=CC=CC=C64)N=C2NC(=O)N,N(C(=O)N)c1n(c2c(n1)cc(cc2)/C=C\3/c4c(OCc5c3cccc5)cc(cc4)F)[C@@H](CN6CCOCC6)C,"InChI=1S/C30H30FN5O3/c1-19(17-35-10-12-38-13-11-35)36-27-9-6-20(15-26(27)33-30(36)34-29(32)37)14-25-23-5-3-2-4-21(23)18-39-28-16-22(31)7-8-24(25)28/h2-9,14-16,19H,10-13,17-18H2,1H3,(H3,32,33,34,37)/b25-14+/t19-/m1/s1",YPCLDHGBEKZGEB-RUDKWAFVSA-N
BMGC_DG08254,BMG_DG141901,,N1C([C@@H](N(C(CCCCCCCC[C@H](C[C@H]1[C@@H](CN[C@H]2CC(Oc3c2cc(cc3)C(C)C)(C)C)O)C)=O)C)C)=O,,MNENNUUKHSBOKZ-BEOVBFIISA-N
BMGC_DG08255,BMG_DG141910,,C(=C(/C(/CC)=N/O)\C)\c1ccc(cc1)F,,HKROEBDHHKMNBZ-CHBKHGQFSA-N
BMGC_DG08256,BMG_DG141911,CC(C)(C)NC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C(=C2)F)CC(=O)O)Cl)NS(=O)(=O)C3=C(C=C(C=C3)C4CC4)Cl,O=C(O)Cc1cc(Cl)c(Oc2ccc(C(NC(C)(C)C)=O)cc2NS(c3ccc(C4CC4)cc3Cl)(=O)=O)cc1F,"InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)",PFWVGKROPKKEDW-UHFFFAOYSA-N
BMGC_DG08257,BMG_DG141914,COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F,C1C(C1)(C(Nc2cc(c(Oc3ccnc4cc(OCCCN5CCOCC5)c(cc43)OC)cc2)F)=O)C(Nc6ccc(cc6)F)=O,"InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)",CXQHYVUVSFXTMY-UHFFFAOYSA-N
BMGC_DG08258,BMG_DG141915,C[C@@H]1COC(=N1)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=NC=CS5)Cl,s1ccnc1COc2c(cc(Nc3ncnc4c3cc(cc4)NC=5OC[C@@H](C)N5)cc2)Cl,"InChI=1S/C22H19ClN6O2S/c1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28)/t13-/m1/s1",UWXSAYUXVSFDBQ-CYBMUJFWSA-N
BMGC_DG08259,BMG_DG141916,C1=CC(=C(C=C1I)F)NC2=C(C=CC3=CN=CN32)C(=O)NOCCO,c12ccc(c(n1cnc2)Nc3c(cc(cc3)I)F)C(=O)NOCCO,"InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)",RFWVETIZUQEJEF-UHFFFAOYSA-N
BMGC_DG08260,BMG_DG141923,,,,
BMGC_DG08261,BMG_DG141924,,,,
BMGC_DG08262,BMG_DG141930,C1=C(ONC1=O)CN,c1c([nH]oc1CN)=O,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)",ZJQHPWUVQPJPQT-UHFFFAOYSA-N
BMGC_DG08263,BMG_DG141940,C1CC(C1)(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2],,"InChI=1S/C6H8O4.2H2N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H2;/q;2*-1;+2",VSRXQHXAPYXROS-UHFFFAOYSA-N
BMGC_DG08264,BMG_DG141953,CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C)C,c12c([nH]c3ccc(cc13)O)c(C)c4cc[n+](C)cc4c2C,"InChI=1S/C18H16N2O/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18/h4-9,21H,1-3H3/p+1",YZQRAQOSAPWELU-UHFFFAOYSA-O
BMGC_DG08265,BMG_DG141956,CCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)C,c12c(cccc1cccc2)C(=O)c3c(n(c4c3cccc4)CCC)C,"InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3",LJSBBBWQTLXQEN-UHFFFAOYSA-N
BMGC_DG08266,BMG_DG141958,CCOCCP(CCOCC)CCP(CCOCC)CCOCC,P(CCP(CCOCC)CCOCC)(CCOCC)CCOCC,"InChI=1S/C18H40O4P2/c1-5-19-9-13-23(14-10-20-6-2)17-18-24(15-11-21-7-3)16-12-22-8-4/h5-18H2,1-4H3",QCWJONLQSHEGEJ-UHFFFAOYSA-N
BMGC_DG08267,BMG_DG141964,CC(C)CCC(=O)[O-],,"InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1",FGKJLKRYENPLQH-UHFFFAOYSA-M
BMGC_DG08268,BMG_DG141968,,C1(NC(NC2CCCCC2)=O)CCCCC1,,ADFXKUOMJKEIND-UHFFFAOYSA-N
BMGC_DG08269,BMG_DG141974,COC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)N)N,,"InChI=1S/C12H12N2O2S/c1-16-8-4-2-7(3-5-8)10-6-9(13)11(17-10)12(14)15/h2-6H,13H2,1H3,(H2,14,15)",OEUITKOCUWEFOB-UHFFFAOYSA-N
BMGC_DG08270,BMG_DG141976,C(CN)CN,C(CN)CN,InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2,XFNJVJPLKCPIBV-UHFFFAOYSA-N
BMGC_DG08271,BMG_DG141984,CCNCCCNCCCNCCCNCC,CCNCCCNCCCNCCCNCC,"InChI=1S/C13H32N4/c1-3-14-8-5-10-16-12-7-13-17-11-6-9-15-4-2/h14-17H,3-13H2,1-2H3",UMJJGDUYVQCBMC-UHFFFAOYSA-N
BMGC_DG08272,BMG_DG141986,,c12c(c(ccc1C#N)N)cccc2,,LUSIZUFVMKYWGX-UHFFFAOYSA-N
BMGC_DG08273,BMG_DG141992,C1=C2C(=CC(=C1Cl)Cl)OC3=C(O2)C(=CC(=C3Cl)Cl)Cl,c12c(Oc3cc(Cl)c(cc3O1)Cl)c(cc(c2Cl)Cl)Cl,InChI=1S/C12H3Cl5O2/c13-4-2-8-9(3-5(4)14)19-12-10(17)6(15)1-7(16)11(12)18-8/h1-3H,QUPLGUUISJOUPJ-UHFFFAOYSA-N
BMGC_DG08274,BMG_DG141995,C1=C2C(=CC(=C1Cl)Cl)OC3=C2C(=C(C=C3Cl)Cl)Cl,c12c(Cl)c(Cl)cc(Cl)c1oc3cc(Cl)c(Cl)cc32,InChI=1S/C12H3Cl5O/c13-5-1-4-9(3-6(5)14)18-12-8(16)2-7(15)11(17)10(4)12/h1-3H,GCFDWHIKRXCUPJ-UHFFFAOYSA-N
BMGC_DG08275,BMG_DG141998,CCN(CC)C(=O)C1=CC=CC(=C1)C,C(c1cc(C)ccc1)(N(CC)CC)=O,"InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3",MMOXZBCLCQITDF-UHFFFAOYSA-N
BMGC_DG08276,BMG_DG141999,C1=C2C(=CC(=C1Cl)Cl)OC3=C2C(=CC(=C3Cl)Cl)Cl,c12c(Cl)cc(Cl)c(Cl)c1oc3cc(Cl)c(Cl)cc32,InChI=1S/C12H3Cl5O/c13-5-1-4-9(3-6(5)14)18-12-10(4)7(15)2-8(16)11(12)17/h1-3H,ORSUQGVCWLXKLZ-UHFFFAOYSA-N
BMGC_DG08277,BMG_DG142010,,N(C1CCN(Cc2ccccc2)CC1)(c3ccccc3)C(c4ccco4)=O,,GDPJXHFICUEJBT-UHFFFAOYSA-N
BMGC_DG08278,BMG_DG142013,,,,
BMGC_DG08279,BMG_DG142020,,,,
BMGC_DG08280,BMG_DG142022,CC(C)N1CCC(CC1)N(C2=CC=C(C=C2)Cl)C(=O)CC3=CC=CC=C3,C(N(C1CCN(CC1)C(C)C)c2ccc(cc2)Cl)(Cc3ccccc3)=O,"InChI=1S/C22H27ClN2O/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3",XHOJAWVAWFHGHL-UHFFFAOYSA-N
BMGC_DG08281,BMG_DG142024,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O,c12c(C(=O)c3c(C1=O)cccc3)c(O)c4c(c2O)C[C@](C[C@@H]4O[C@@]5(O[C@@H](C)[C@H]([C@H](C5)N)O)[H])(C(=O)C)O,"InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1",XDXDZDZNSLXDNA-TZNDIEGXSA-N
BMGC_DG08282,BMG_DG142030,,,,
BMGC_DG08283,BMG_DG142033,,,,
BMGC_DG08284,BMG_DG142039,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCC4=CC=CC=C4,,"InChI=1S/C27H25ClN2O3/c1-18-23(17-26(31)29-15-14-19-6-4-3-5-7-19)24-16-22(33-2)12-13-25(24)30(18)27(32)20-8-10-21(28)11-9-20/h3-13,16H,14-15,17H2,1-2H3,(H,29,31)",VYDBTNADENXYSN-UHFFFAOYSA-N
BMGC_DG08285,BMG_DG142045,,,,
BMGC_DG08286,BMG_DG142060,C1CN(CCN1)C2=CC=CC(=C2)C(F)(F)F,c1c(C(F)(F)F)cccc1N2CCNCC2,"InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2",KKIMDKMETPPURN-UHFFFAOYSA-N
BMGC_DG08287,BMG_DG142081,C(CC(=O)O)C(C(=O)O)O,C(CC(=O)O)C(C(=O)O)O,"InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)",HWXBTNAVRSUOJR-UHFFFAOYSA-N
BMGC_DG08288,BMG_DG142083,,,,
BMGC_DG08289,BMG_DG142088,COC1=CC2=NNN=C2C=C1C(=O)NCC3CCCN3CC=C,c1(cc2nn[nH]c2cc1OC)C(NCC3N(CC=C)CCC3)=O,"InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)",KSEYRUGYKHXGFW-UHFFFAOYSA-N
BMGC_DG08290,BMG_DG142091,CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-],,"InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)/p-1",IOOMXAQUNPWDLL-UHFFFAOYSA-M
BMGC_DG08291,BMG_DG142095,C1CNC2CC3=C4C15C2C=CC(C5OC4=C(C=C3)O)O,,"InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2",ONBWJWYUHXVEJS-UHFFFAOYSA-N
BMGC_DG08292,BMG_DG142097,CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4OC,c1c(c(ccc1)OC)N2CCN(CC2)CCCCNC(c3ccc(cc3)-c4ccc(cc4)C(C)=O)=O,"InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)",JARNORYOPMINDY-UHFFFAOYSA-N
BMGC_DG08293,BMG_DG142098,,Cc1c(n(nc1C(NN2CCOCC2)=O)-c3c(Cl)cc(cc3)Cl)-c4ccc(cc4)I,,AJFFBPZYXRNAIC-UHFFFAOYSA-N
BMGC_DG08294,BMG_DG142099,CC1=C(C2=C(N1CCN3CCOCC3)C=C(C=C2)I)C(=O)C4=CC=C(C=C4)OC,c1c(cc2c(c1)c(c(n2CCN3CCOCC3)C)C(c4ccc(cc4)OC)=O)I,"InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3",JHOTYHDSLIUKCJ-UHFFFAOYSA-N
BMGC_DG08295,BMG_DG142115,COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl,COc1ccc(cc1)-n2nc(cc2-c3ccc(Cl)cc3)C(F)(F)F,"InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3",PQUGCKBLVKJMNT-UHFFFAOYSA-N
BMGC_DG08296,BMG_DG142121,,C1N(CCCCC1)CCOC(c2ccccc2)(C)c3ccc(cc3)Cl,,VBSPHZOBAOWFCL-UHFFFAOYSA-N
BMGC_DG08297,BMG_DG142155,C#CC1=CNC(=O)NC1=O,[nH]1c(c(C#C)c[nH]c1=O)=O,"InChI=1S/C6H4N2O2/c1-2-4-3-7-6(10)8-5(4)9/h1,3H,(H2,7,8,9,10)",JOZGNYDSEBIJDH-UHFFFAOYSA-N
BMGC_DG08298,BMG_DG142156,,,,
BMGC_DG08299,BMG_DG142183,CCCC1=CC=CC=C1OCC(CNC(C)C)O,c1(c(cccc1)CCC)OCC(CNC(C)C)O,"InChI=1S/C15H25NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h5-6,8-9,12,14,16-17H,4,7,10-11H2,1-3H3",JVHCMYZFGCOCTD-UHFFFAOYSA-N
BMGC_DG08300,BMG_DG142199,C1=C(C(=CC(=C1N)S(=O)(=O)N)S(=O)(=O)N)C(=C(Cl)Cl)Cl,S(c1cc(S(=O)(=O)N)c(cc1N)C(=C(Cl)Cl)Cl)(=O)(=O)N,"InChI=1S/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)",QOVTVIYTBRHADL-UHFFFAOYSA-N
BMGC_DG08301,BMG_DG142201,CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl,n1cn(nc1)CC2(OCC(CCC)O2)c3c(Cl)cc(Cl)cc3,"InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3",STJLVHWMYQXCPB-UHFFFAOYSA-N
BMGC_DG08302,BMG_DG142218,C1=CC2=C(C(=C1)Cl)OC3=C2C=C(C=C3)Cl,c12c3c(c(ccc3)Cl)oc1ccc(Cl)c2,InChI=1S/C12H6Cl2O/c13-7-4-5-11-9(6-7)8-2-1-3-10(14)12(8)15-11/h1-6H,XVLCNKFGFHUQNL-UHFFFAOYSA-N
BMGC_DG08303,BMG_DG142221,COC1=CC(=C(C=C1)OC)C(CN)O,c1(c(ccc(c1)OC)OC)C(O)CN,"InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3",VFRCNXKYZVQYLX-UHFFFAOYSA-N
BMGC_DG08304,BMG_DG142230,CC1=C(C=C(C=C1)NC(=O)C2=CN=CC=C2)NC3=NC=CC(=N3)C4=CN=CC=C4,Cc1ccc(NC(=O)c2cccnc2)cc1Nc3nccc(-c4cccnc4)n3,"InChI=1S/C22H18N6O/c1-15-6-7-18(26-21(29)17-5-3-10-24-14-17)12-20(15)28-22-25-11-8-19(27-22)16-4-2-9-23-13-16/h2-14H,1H3,(H,26,29)(H,25,27,28)",YWQVBESSYLICRX-UHFFFAOYSA-N
BMGC_DG08305,BMG_DG142232,CC(COCC1C(C(C(C(O1)OC2C(OC(C(C2OCC(C)O)OCC(C)O)OCC(C)O)COCC(C)O)OCC(C)O)OCC(C)O)OCC(C)O)O,,"InChI=1S/C36H70O19/c1-19(37)9-45-17-27-29(47-11-21(3)39)31(48-12-22(4)40)34(51-15-25(7)43)36(54-27)55-30-28(18-46-10-20(2)38)53-35(52-16-26(8)44)33(50-14-24(6)42)32(30)49-13-23(5)41/h19-44H,9-18H2,1-8H3",DFJVHKAPIXJTSC-UHFFFAOYSA-N
BMGC_DG08306,BMG_DG142234,CC(C)N1CCOC(C1)C2=CC(=CC=C2)C(F)(F)F,C1OC(c2cc(ccc2)C(F)(F)F)CN(C(C)C)C1,"InChI=1S/C14H18F3NO/c1-10(2)18-6-7-19-13(9-18)11-4-3-5-12(8-11)14(15,16)17/h3-5,8,10,13H,6-7,9H2,1-2H3",FVYUQFQCEOZYHZ-UHFFFAOYSA-N
BMGC_DG08307,BMG_DG142243,,N(C(Nc1ccc(N(C)C)cc1)=O)c2c3c(nc(C)c2)c(F)cc(F)c3,,JTARFZSNUAGHRB-UHFFFAOYSA-N
BMGC_DG08308,BMG_DG142245,,CC(C)(C)c1cc2c(OC(=O)C2(O)C(F)(F)F)c(c1)C(C)(C)C,,RVNOANDLZIIFHB-UHFFFAOYSA-N
BMGC_DG08309,BMG_DG142246,[Li+].[Cl-],[Cl-].[Li+],InChI=1S/ClH.Li/h1H;/q;+1/p-1,KWGKDLIKAYFUFQ-UHFFFAOYSA-M
BMGC_DG08310,BMG_DG142251,CCC(C)(C)N=C(NC#N)NC1=CN=CC=C1,c1ccncc1NC(=NC#N)NC(CC)(C)C,"InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)",HKZNADVVGXKQDL-UHFFFAOYSA-N
BMGC_DG08311,BMG_DG142274,,c1(cc(c(OC)c(c1)OC)OC)C(Nc2ccc(N(C)C)cc2)=O,,AVFGUWZHRCOPMQ-UHFFFAOYSA-N
BMGC_DG08312,BMG_DG142303,CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C,C(c1ccc(NC(=O)C)cc1)(=O)NCCN(CC)CC,"InChI=1S/C15H23N3O2/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19)",KEECCEWTUVWFCV-UHFFFAOYSA-N
BMGC_DG08313,BMG_DG142318,,NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1,,CZKNSZUJCJHTTM-UHFFFAOYSA-N
BMGC_DG08314,BMG_DG142332,C1=C2C3=CC(=C(C(=C3OC2=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,c12c3c(c(c(c(c3)Cl)Cl)Cl)oc1c(Cl)c(Cl)c(Cl)c2,InChI=1S/C12H2Cl6O/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2H,XTAHLACQOVXINQ-UHFFFAOYSA-N
BMGC_DG08315,BMG_DG142336,C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3CN)C(=O)O)CSC4=NN=NN4CC(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)CSc3n(nnn3)CC(=O)O)[H])NC(Cc4c(CN)cccc4)=O,"InChI=1S/C20H21N7O6S2/c21-6-11-4-2-1-3-10(11)5-13(28)22-15-17(31)27-16(19(32)33)12(8-34-18(15)27)9-35-20-23-24-25-26(20)7-14(29)30/h1-4,15,18H,5-9,21H2,(H,22,28)(H,29,30)(H,32,33)/t15-,18-/m1/s1",SLAYUXIURFNXPG-CRAIPNDOSA-N
BMGC_DG08316,BMG_DG142339,CN1CCC2=CC=CC=C2CC3=C(CC1)C4=CC=CC=C4N3,,"InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3",YEWGIGCYIAMFMA-UHFFFAOYSA-N
BMGC_DG08317,BMG_DG142371,,,,
BMGC_DG08318,BMG_DG142376,,,,
BMGC_DG08319,BMG_DG142380,,,,
BMGC_DG08320,BMG_DG142385,C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)O)C(=O)O)CSC4=NN=NN4CS(=O)(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)CSc3n(CS(=O)(=O)O)nnn3)[H])NC([C@@H](c4ccccc4)O)=O,"InChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1",DYAIAHUQIPBDIP-AXAPSJFSSA-N
BMGC_DG08321,BMG_DG142386,C1=CC(=CC=C1C(=O)[O-])Cl,,"InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/p-1",XRHGYUZYPHTUJZ-UHFFFAOYSA-M
BMGC_DG08322,BMG_DG142399,CCN1C(=O)C=CC1=O,C1=CC(N(C1=O)CC)=O,"InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3",HDFGOPSGAURCEO-UHFFFAOYSA-N
BMGC_DG08323,BMG_DG142410,CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,N12[C@@](SC([C@@H]1C(=O)O)(C)C)([H])[C@@H](C2=O)NC([C@H](NC(N3C(C(=O)N(CC3)CC)=O)=O)c4ccccc4)=O,"InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1",IVBHGBMCVLDMKU-GXNBUGAJSA-N
BMGC_DG08324,BMG_DG142414,,,,
BMGC_DG08325,BMG_DG142419,,,,
BMGC_DG08326,BMG_DG142421,,,,
BMGC_DG08327,BMG_DG142423,CNC(=O)[C@H](CC1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)NC2=NNC(=S)S2,,"InChI=1S/C13H10F5N5O2S2/c1-19-10(24)4(20-11(25)21-12-22-23-13(26)27-12)2-3-5(14)7(16)9(18)8(17)6(3)15/h4H,2H2,1H3,(H,19,24)(H,23,26)(H2,20,21,22,25)/t4-/m0/s1",HZAXNPDJVFUGDS-BYPYZUCNSA-N
BMGC_DG08328,BMG_DG142424,C1=CC=C(C=C1)COC(=O)N[C@H](CC(=O)NC2=NNC(=S)S2)C3=CC=CC=C3,,"InChI=1S/C19H18N4O3S2/c24-16(21-17-22-23-19(27)28-17)11-15(14-9-5-2-6-10-14)20-18(25)26-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,20,25)(H,23,27)(H,21,22,24)/t15-/m1/s1",AWAKNMKLVLWIIQ-OAHLLOKOSA-N
BMGC_DG08329,BMG_DG142425,CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NC2=NNC(=S)S2,,"InChI=1S/C13H15N5O2S2/c1-14-10(19)9(7-8-5-3-2-4-6-8)15-11(20)16-12-17-18-13(21)22-12/h2-6,9H,7H2,1H3,(H,14,19)(H,18,21)(H2,15,16,17,20)/t9-/m0/s1",RKWXKADYTDWZIJ-VIFPVBQESA-N
BMGC_DG08330,BMG_DG142426,,,,
BMGC_DG08331,BMG_DG142427,,O=S1(c2c(cc(s2)S(N)(=O)=O)[C@@H](NCC)CN1CCOC)=O,,XACIEZJJSXJZMD-VIFPVBQESA-N
BMGC_DG08332,BMG_DG142428,,,,
BMGC_DG08333,BMG_DG142430,,,,
BMGC_DG08334,BMG_DG142432,,,,
BMGC_DG08335,BMG_DG142433,,,,
BMGC_DG08336,BMG_DG142434,,,,
BMGC_DG08337,BMG_DG142436,C1=C(C=C(C(=C1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O)O)[N+](=O)[O-],,"InChI=1S/C19H19N7O8/c20-16-12-17(23-6-22-16)25(7-24-12)19-15(30)14(29)11(34-19)2-1-3-21-18(31)9-4-8(26(32)33)5-10(27)13(9)28/h1-2,4-7,11,14-15,19,27-30H,3H2,(H,21,31)(H2,20,22,23)/b2-1+/t11-,14-,15-,19-/m1/s1",UHHBFOLQOQSPLU-WGRQDFERSA-N
BMGC_DG08338,BMG_DG142437,,,,
BMGC_DG08339,BMG_DG142438,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O,O[C@H]1CC[C@@]2(C)[C@](C1)([H])CC[C@@]3([C@@]2(CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@@]43O)[H])[H],"InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1",XZTUSOXSLKTKJQ-CESUGQOBSA-N
BMGC_DG08340,BMG_DG142439,,C(CCN1CCN(CC1)c2cc(ccc2)C(F)(F)F)(=O)c3cc(c(c(c3)[N+](=O)[O-])O)O,,KVIVJQWOYSWCCZ-UHFFFAOYSA-N
BMGC_DG08341,BMG_DG142442,,,,
BMGC_DG08342,BMG_DG142443,,,,
BMGC_DG08343,BMG_DG142445,C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N,c1(n2c(nn1)CN(C(=O)C[C@H](N)Cc3c(cc(c(c3)F)F)F)CC2)C(F)(F)F,"InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1",MFFMDFFZMYYVKS-SECBINFHSA-N
BMGC_DG08344,BMG_DG142447,,,,
BMGC_DG08345,BMG_DG142448,,C([C@@H](C(NCC(O)=O)=O)CS)c1ccccc1,,LJJKNPQAGWVLDQ-SNVBAGLBSA-N
BMGC_DG08346,BMG_DG142450,,,,
BMGC_DG08347,BMG_DG142451,,,,
BMGC_DG08348,BMG_DG142452,,,,
BMGC_DG08349,BMG_DG142453,,,,
BMGC_DG08350,BMG_DG142454,,,,
BMGC_DG08351,BMG_DG142455,,CCCCCC(=O)CP(=O)(O)O,,ACMQFLCUSWMWKH-UHFFFAOYSA-N
BMGC_DG08352,BMG_DG142458,,,,
BMGC_DG08353,BMG_DG142459,,,,
BMGC_DG08354,BMG_DG142460,,,,
BMGC_DG08355,BMG_DG142461,,,,
BMGC_DG08356,BMG_DG142462,,,,
BMGC_DG08357,BMG_DG142463,,,,
BMGC_DG08358,BMG_DG142464,,,,
BMGC_DG08359,BMG_DG142466,,,,
BMGC_DG08360,BMG_DG142467,,O=C1CN(c2ccccc2)S(=O)(=O)N1,,LDCZCUKQWRZSDT-UHFFFAOYSA-N
BMGC_DG08361,BMG_DG142471,,,,
BMGC_DG08362,BMG_DG142474,,,,
BMGC_DG08363,BMG_DG142475,,,,
BMGC_DG08364,BMG_DG142476,,,,
BMGC_DG08365,BMG_DG142477,,,,
BMGC_DG08366,BMG_DG142478,,,,
BMGC_DG08367,BMG_DG142479,,O1C(=S)Nc2c(cc(-c3ccc(n3C)C#N)cc2)C1(C)C,,PYVFWTPEBMRKSR-UHFFFAOYSA-N
BMGC_DG08368,BMG_DG142481,,,,
BMGC_DG08369,BMG_DG142483,,,,
BMGC_DG08370,BMG_DG142485,,,,
BMGC_DG08371,BMG_DG142486,,,,
BMGC_DG08372,BMG_DG142487,,,,
BMGC_DG08373,BMG_DG142489,,,,
BMGC_DG08374,BMG_DG142490,,,,
BMGC_DG08375,BMG_DG142491,,c1(c2c(nccc2)c(cc1OC)NCCCCCNC(C)C)Oc3ccc(cc3)OC,,QWKGZWUCKIOVBG-UHFFFAOYSA-N
BMGC_DG08376,BMG_DG142495,CN(C)CCN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)CSc3n(nnn3)CCN(C)C)[H])NC(Cc4nc(N)sc4)=O,"InChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/t12-,15-/m1/s1",QYQDKDWGWDOFFU-IUODEOHRSA-N
BMGC_DG08377,BMG_DG142507,CNC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2,c1cccc2c1c3cc(ncc3[nH]2)C(=O)NC,"InChI=1S/C13H11N3O/c1-14-13(17)11-6-9-8-4-2-3-5-10(8)16-12(9)7-15-11/h2-7,16H,1H3,(H,14,17)",QMCOPDWHWYSJSA-UHFFFAOYSA-N
BMGC_DG08378,BMG_DG142510,,OC(C(CC(O)=O)NC)=O,,HOKKHZGPKSLGJE-UHFFFAOYSA-N
BMGC_DG08379,BMG_DG142513,C(CC#N)CSC(=N)N,C(N)(SCCCC#N)=N,"InChI=1S/C5H9N3S/c6-3-1-2-4-9-5(7)8/h1-2,4H2,(H3,7,8)",PRDJGNVQBVXXEO-UHFFFAOYSA-N
BMGC_DG08380,BMG_DG142529,,c12c(N3CCN(Cc4ccccc4)CC3)ccc(c1no[n+]2[O-])[N+]([O-])=O,,HXSYYCOFWSTFAE-UHFFFAOYSA-N
BMGC_DG08381,BMG_DG142535,CN(CCCOC1=C(C=C(C=C1)Cl)Cl)CC#C,c1(c(cc(Cl)cc1)Cl)OCCCN(CC#C)C,"InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3",BTFHLQRNAMSNLC-UHFFFAOYSA-N
BMGC_DG08382,BMG_DG142536,C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)[O-])[O-].[Pt+4],,"InChI=1S/C6H12N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-8H,1-4H2;(H,3,4)(H,5,6);/q-2;;+4/p-2/t5-,6-;;/m1../s1",DWAFYCQODLXJNR-BNTLRKBRSA-L
BMGC_DG08383,BMG_DG142539,CN1CC(C(C(C1CO)O)O)O,,"InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3",AAKDPDFZMNYDLR-UHFFFAOYSA-N
BMGC_DG08384,BMG_DG142541,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4,c12cc(OC[C@@H]3CNCC[C@H]3c4ccc(F)cc4)ccc1OCO2,"InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1",AHOUBRCZNHFOSL-YOEHRIQHSA-N
BMGC_DG08385,BMG_DG142542,,n1(c(ccs1)=O)-c2ccc(C(=O)OCC)cc2,,BZBRYBISKLKJCA-UHFFFAOYSA-N
BMGC_DG08386,BMG_DG142543,CNCCC1=CC(=C(C=C1)O)O,c1(ccc(CCNC)cc1O)O,"InChI=1S/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H3",NGKZFDYBISXGGS-UHFFFAOYSA-N
BMGC_DG08387,BMG_DG142552,,c1(ccc2c3n(c4ccc(cc4c(c31)=O)OC)cn2)NCCN(CC)CC,,WEZYUEYLARXRME-UHFFFAOYSA-N
BMGC_DG08388,BMG_DG142556,C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O,c1(c(cccc1)C(O)=O)Nc2ccccc2,"InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)",ZWJINEZUASEZBH-UHFFFAOYSA-N
BMGC_DG08389,BMG_DG142557,CN1C2=NC=NC3=C2C(=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C(=N1)N,n1c2N(C)N=C(N)c3c2c(nc1)n(c3)[C@H]4[C@@H]([C@H](O)[C@H](O4)COP(=O)(O)O)O,"InChI=1S/C13H17N6O7P/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(21)8(20)6(26-13)3-25-27(22,23)24/h2,4,6,8-9,13,20-21H,3H2,1H3,(H2,14,17)(H2,22,23,24)/t6-,8-,9-,13-/m1/s1",URLYINUFLXOMHP-HTVVRFAVSA-N
BMGC_DG08390,BMG_DG142575,CC1=C2C(=CC=C1)N=C3C=CC=C(C3=N2)C(=O)NCCNCCNCCNC(=O)C4=CC=CC5=NC6=CC=CC(=C6N=C54)C,Cc1c2nc3c(nc2ccc1)cccc3C(NCCNCCNCCNC(c4cccc5nc6cccc(C)c6nc54)=O)=O,"InChI=1S/C34H34N8O2/c1-21-7-3-11-25-29(21)41-31-23(9-5-13-27(31)39-25)33(43)37-19-17-35-15-16-36-18-20-38-34(44)24-10-6-14-28-32(24)42-30-22(2)8-4-12-26(30)40-28/h3-14,35-36H,15-20H2,1-2H3,(H,37,43)(H,38,44)",SFOADSRLCHRTKT-UHFFFAOYSA-N
BMGC_DG08391,BMG_DG142577,C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)COP(OP(OC[C@H]3O[C@@H](N4C=C(C(=O)N)CC=C4)[C@@H]([C@@H]3O)O)(=O)O)(O)=O)O)c5c(c(N)ncn5)nc1,"InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",BOPGDPNILDQYTO-NNYOXOHSSA-N
BMGC_DG08392,BMG_DG142579,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,n1c(c2c(nc1)n(cn2)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CSCC[C@@H](C(O)=O)N)N,"InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1",ZJUKTBDSGOFHSH-WFMPWKQPSA-N
BMGC_DG08393,BMG_DG142585,C([C@H](COP(=O)(O)O)O)O,P(O)(O)(OC[C@H](O)CO)=O,"InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1",AWUCVROLDVIAJX-GSVOUGTGSA-N
BMGC_DG08394,BMG_DG142590,C([C@H](C=O)O)OP(=O)(O)O,C([C@H](C=O)O)OP(=O)(O)O,"InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1",LXJXRIRHZLFYRP-VKHMYHEASA-N
BMGC_DG08395,BMG_DG142592,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O,S(C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)C,"InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1",WUUGFSXJNOTRMR-IOSLPCCCSA-N
BMGC_DG08396,BMG_DG142594,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)O)O)O)O,,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12+/m1/s1",GUBGYTABKSRVRQ-CUHNMECISA-N
BMGC_DG08397,BMG_DG142596,C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)C)O)c3c(c(N)ncn3)nc1,"InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",XGYIMTFOTBMPFP-KQYNXXCUSA-N
BMGC_DG08398,BMG_DG142597,C([C@H](C(=O)O)O)OP(=O)(O)O,C([C@H](C(=O)O)O)OP(=O)(O)O,"InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1",OSJPPGNTCRNQQC-UWTATZPHSA-N
BMGC_DG08399,BMG_DG142598,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,"InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m1/s1",FNZLKVNUWIIPSJ-UHNVWZDZSA-N
BMGC_DG08400,BMG_DG142599,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)O)O)O)O,,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1",GUBGYTABKSRVRQ-PICCSMPSSA-N
BMGC_DG08401,BMG_DG142600,C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O,O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O,"InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1",FNZLKVNUWIIPSJ-RFZPGFLSSA-N
BMGC_DG08402,BMG_DG142601,C([C@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O,,"InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1",LJQLQCAXBUHEAZ-UWTATZPHSA-N
BMGC_DG08403,BMG_DG142603,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O)O)O)O,,"InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12+/m1/s1",DLRVVLDZNNYCBX-RTPHMHGBSA-N
BMGC_DG08404,BMG_DG142606,C([C@@H]([C@H](CS)O)O)S,[C@H]([C@@H](O)CS)(O)CS,"InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1",VHJLVAABSRFDPM-IMJSIDKUSA-N
BMGC_DG08405,BMG_DG142607,CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,,"InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11?/m0/s1",SQVRNKJHWKZAKO-LUWBGTNYSA-N
BMGC_DG08406,BMG_DG142609,CNC(=O)CNC(=O)CN,C(NC(=O)CN)C(=O)NC,"InChI=1S/C5H11N3O2/c1-7-5(10)3-8-4(9)2-6/h2-3,6H2,1H3,(H,7,10)(H,8,9)",BWGVNKXGVNDBDI-UHFFFAOYSA-N
BMGC_DG08407,BMG_DG142610,C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)N)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,,"InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1",QXZGBUJJYSLZLT-FDISYFBBSA-N
BMGC_DG08408,BMG_DG142611,C(CON=C(N)N)[C@@H](C(=O)O)N,C([C@H](N)C(=O)O)CONC(=N)N,"InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1",FSBIGDSBMBYOPN-VKHMYHEASA-N
BMGC_DG08409,BMG_DG142616,C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O,,"InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1",MSWZFWKMSRAUBD-IVMDWMLBSA-N
BMGC_DG08410,BMG_DG142619,C1[C@H](NC(=O)NC1=O)C(=O)O,C([C@H]1NC(=O)NC(=O)C1)(=O)O,"InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1",UFIVEPVSAGBUSI-REOHCLBHSA-N
BMGC_DG08411,BMG_DG142620,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O,,"InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1",XHMJOUIAFHJHBW-UKFBFLRUSA-N
BMGC_DG08412,BMG_DG142621,C[C@](CC(=O)O)(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O,,"InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,19-,20-,21?,25-,27+/m1/s1",CABVTRNMFUVUDM-MIGRVSMKSA-N
BMGC_DG08413,BMG_DG142623,,,,
BMGC_DG08414,BMG_DG142626,C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN,n1c[nH]c(c1)C[C@@H](C(=O)O)NC(CCN)=O,"InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1",CQOVPNPJLQNMDC-ZETCQYMHSA-N
BMGC_DG08415,BMG_DG142627,C1CCN[C@@H](C1)C(=O)O,N1[C@@H](CCCC1)C(=O)O,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1",HXEACLLIILLPRG-YFKPBYRVSA-N
BMGC_DG08416,BMG_DG142629,C[C@@](CCO)(CC(=O)O)O,,"InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m1/s1",KJTLQQUUPVSXIM-ZCFIWIBFSA-N
BMGC_DG08417,BMG_DG142630,C[C@@H](C=O)O,C([C@@H](O)C)=O,"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m0/s1",BSABBBMNWQWLLU-VKHMYHEASA-N
BMGC_DG08418,BMG_DG142631,CC(=O)N[C@@H](CCCN)C(=O)O,,"InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",JRLGPAXAGHMNOL-LURJTMIESA-N
BMGC_DG08419,BMG_DG142634,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,,"InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1",YXJDFQJKERBOBM-TXICZTDVSA-N
BMGC_DG08420,BMG_DG142637,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O,[C@]1([C@H]([C@H](O)[C@H](O1)CO)O)(O[C@@]2([C@@H]([C@H]([C@H](O)[C@H](O2)CO[C@@H]3[C@@H]([C@H]([C@@H](O)[C@H](O3)CO)O)O)O)O)[H])CO,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",MUPFEKGTMRGPLJ-ZQSKZDJDSA-N
BMGC_DG08421,BMG_DG142640,C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O,c12C(C[C@H](Oc1cc(cc2O)O)c3ccc(cc3)O)=O,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",FTVWIRXFELQLPI-ZDUSSCGKSA-N
BMGC_DG08422,BMG_DG142645,C([C@@H](C([C@H](CO)O)O)O)O,OC[C@@H](C([C@H](CO)O)O)O,"InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1",HEBKCHPVOIAQTA-IMJSIDKUSA-N
BMGC_DG08423,BMG_DG142646,C(CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N,[C@@H](N)(C(=O)O)CCSC[C@H](N)C(=O)O,"InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1",ILRYLPWNYFXEMH-WHFBIAKZSA-N
BMGC_DG08424,BMG_DG142647,C1=CC(=C(C=C1[C@H](CN)O)O)O,c1c(c(ccc1[C@@H](O)CN)O)O,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1",SFLSHLFXELFNJZ-QMMMGPOBSA-N
BMGC_DG08425,BMG_DG142648,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O,,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14?,15?,16+,17+,18+/m1/s1",FYGDTMLNYKFZSV-URKRLVJHSA-N
BMGC_DG08426,BMG_DG142652,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O,,"InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14+/m1/s1",KFEUJDWYNGMDBV-LODBTCKLSA-N
BMGC_DG08427,BMG_DG142655,C([C@H](C(=O)O)OP(=O)(O)O)O,OC[C@@H](OP(O)(O)=O)C(O)=O,"InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1",GXIURPTVHJPJLF-UWTATZPHSA-N
BMGC_DG08428,BMG_DG142657,C1=CC2=C(C=C1O)C(=CN2)C[C@@H](C(=O)O)N,c1cc2c(cc1O)c(C[C@@H](C(=O)O)N)c[nH]2,"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1",LDCYZAJDBXYCGN-VIFPVBQESA-N
BMGC_DG08429,BMG_DG142658,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O,,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8?/m1/s1",OVRNDRQMDRJTHS-ZTVVOAFPSA-N
BMGC_DG08430,BMG_DG142659,C(C[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N,N[C@@H](CCC[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1",GMKMEZVLHJARHF-WHFBIAKZSA-N
BMGC_DG08431,BMG_DG142660,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,C(OP(=O)(O)O)[C@@H]1[C@@H](O)[C@H](O)[C@H]([C@H](O1)O)O,"InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1",NBSCHQHZLSJFNQ-DVKNGEFBSA-N
BMGC_DG08432,BMG_DG142662,C1[C@@H]([C@H](OC1OP(=O)(O)O)CO)O,O(P(=O)(O)O)C1O[C@H](CO)[C@@H](O)C1,"InChI=1S/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5?/m0/s1",KBDKAJNTYKVSEK-PYHARJCCSA-N
BMGC_DG08433,BMG_DG142667,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O,O[C@H]1[C@H](n2c3c(nc2)c(=O)[nH]c(=O)[nH]3)O[C@H](COP(OP(OP(O)(=O)O)(O)=O)(=O)O)[C@H]1O,"InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1",CAEFEWVYEZABLA-UUOKFMHZSA-N
BMGC_DG08434,BMG_DG142668,CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N,,"InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1",XNOPRXBHLZRZKH-DSZYJQQASA-N
BMGC_DG08435,BMG_DG142676,C[C@H](C(=O)C)O,,"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1",ROWKJAVDOGWPAT-GSVOUGTGSA-N
BMGC_DG08436,BMG_DG142677,C1=CC(=O)C(=O)C=C1C[C@@H](C(=O)O)N,C1(=CC(C(C=C1)=O)=O)C[C@@H](C(O)=O)N,"InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1",AHMIDUVKSGCHAU-LURJTMIESA-N
BMGC_DG08437,BMG_DG142678,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N,[C@@]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CN)O)N)(O[C@H]2[C@@H]([C@@H](O[C@@]3([C@@H]([C@@H](N)[C@@H]([C@H](O3)CO)O)O)[H])[C@@H](C[C@@H]2N)N)O)[H],"InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1",SKKLOUVUUNMCJE-FQSMHNGLSA-N
BMGC_DG08438,BMG_DG142680,CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS)O,C([C@@H](C(CO)(C)C)O)(NCCC(NCCS)=O)=O,"InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1",ZNXZGRMVNNHPCA-VIFPVBQESA-N
BMGC_DG08439,BMG_DG142683,,,,
BMGC_DG08440,BMG_DG142689,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O,[C@@]1([C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)O)(O[C@H]2[C@@H]([C@@H](O)[C@H](O[C@@H]2CO)O)O)[H],"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",GUBGYTABKSRVRQ-ASMJPISFSA-N
BMGC_DG08441,BMG_DG142693,C1[C@H]([C@@H](C(=O)C[C@]1(C(=O)O)O)O)O,O[C@@H]1C[C@@](O)(CC(=O)[C@H]1O)C(O)=O,"InChI=1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)/t3-,5+,7-/m1/s1",WVMWZWGZRAXUBK-SYTVJDICSA-N
BMGC_DG08442,BMG_DG142694,C([C@H]([C@H](CS)O)O)S,C([C@@H]([C@@H](CS)O)O)S,"InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4+",VHJLVAABSRFDPM-ZXZARUISSA-N
BMGC_DG08443,BMG_DG142695,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,[C@H]1([C@H]([C@H]([C@@H](CO)O[C@H]1O)O)O)O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1",WQZGKKKJIJFFOK-FPRJBGLDSA-N
BMGC_DG08444,BMG_DG142697,,c1(c[nH]c2c1cccc2)C[C@@H](C(=O)N)N,,JLSKPBDKNIXMBS-VIFPVBQESA-N
BMGC_DG08445,BMG_DG142698,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,[C@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)CO)O)O)O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1",WQZGKKKJIJFFOK-PHYPRBDBSA-N
BMGC_DG08446,BMG_DG142699,,C(N[C@@H](C)C(O)=O)([C@@H](C)N)=O,,DEFJQIDDEAULHB-DMTCNVIQSA-N
BMGC_DG08447,BMG_DG142701,C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(CO)O,[H][C@@]1([C@H](O)[C@@H](O)[C@@H]([C@@H](O)[C@@H]1NC(N)=N)NC(N)=N)O[C@@H]2O[C@@H](C)[C@](O)(CO)[C@@]2([H])O[C@@H]3O[C@@H](CO)[C@@H]([C@@H](O)[C@@H]3NC)O,"InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1",ASXBYYWOLISCLQ-HZYVHMACSA-N
BMGC_DG08448,BMG_DG142703,C([C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O)O,[C@@H](CO)(O)[C@@]1([C@H](O)[C@@H](C(O1)=O)O)[H],"InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1",SXZYCXMUPBBULW-SKNVOMKLSA-N
BMGC_DG08449,BMG_DG142707,CCNC(=O)CC[C@@H](C(=O)O)N,N[C@H](C(=O)O)CCC(=O)NCC,"InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1",DATAGRPVKZEWHA-YFKPBYRVSA-N
BMGC_DG08450,BMG_DG142711,C(CC(=O)O)[C@H](C(=O)O)O,[C@@H](CCC(O)=O)(C(O)=O)O,"InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1",HWXBTNAVRSUOJR-GSVOUGTGSA-N
BMGC_DG08451,BMG_DG142715,C1=C(NC=N1)C[C@@H](COP(=O)(O)O)N,,"InChI=1S/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)/t5-/m0/s1",CWNDERHTHMWBSI-YFKPBYRVSA-N
BMGC_DG08452,BMG_DG142721,C1[C@@H]([C@H](CSS1)O)O,O[C@H]1CSSC[C@@H]1O,"InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1",YPGMOWHXEQDBBV-IMJSIDKUSA-N
BMGC_DG08453,BMG_DG142726,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C,C=12[C@]3([C@]([C@]([C@@H](CCCC(C)C)C)([H])CC3)(C)CC[C@@]2([C@]4(CC[C@@H](CC4=CC1)O)C)[H])[H],"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1",UCTLRSWJYQTBFZ-DDPQNLDTSA-N
BMGC_DG08454,BMG_DG142727,C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,O=c1[nH]cc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,"InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1",MOBMOJGXNHLLIR-GBNDHIKLSA-N
BMGC_DG08455,BMG_DG142729,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,C(OP(=O)(O)O)[C@@H]1[C@@H](O)[C@H](O)[C@H]([C@@H](O1)O)O,"InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1",NBSCHQHZLSJFNQ-VFUOTHLCSA-N
BMGC_DG08456,BMG_DG142736,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O,,"InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5?,6?/m1/s1",PELZSPZCXGTUMR-MBEOBJKWSA-N
BMGC_DG08457,BMG_DG142737,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)NC(=NC2=O)N,,"InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",BUFLLCUFNHESEH-UUOKFMHZSA-N
BMGC_DG08458,BMG_DG142741,[C@H]1([C@H]([C@@H]([C@H]([C@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,,"InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3+,4+,5+,6+/m1/s1",MMWCIQZXVOZEGG-MLQGYMEPSA-N
BMGC_DG08459,BMG_DG142742,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,"InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1",MMWCIQZXVOZEGG-XJTPDSDZSA-N
BMGC_DG08460,BMG_DG142749,C[C@H](CCCC(C)C=O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,,"InChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15-25,29-31H,5-14H2,1-4H3/t16?,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1",USFJGINJGUIFSY-XZULNKEGSA-N
BMGC_DG08461,BMG_DG142751,CC(C)C[C@@H](C(=O)NCCCCN=C(N)N)NC(=O)[C@H]1[C@@H](O1)C(=O)O,,"InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10+,11+/m0/s1",LTLYEAJONXGNFG-HBNTYKKESA-N
BMGC_DG08462,BMG_DG142754,C([C@@H](C(=O)NCC(=O)O)N)S,SC[C@H](N)C(=O)NCC(=O)O,"InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1",ZUKPVRWZDMRIEO-VKHMYHEASA-N
BMGC_DG08463,BMG_DG142756,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O,[C@@]12(CO)[C@]3([H])[C@@]([H])(CC[C@]1(O)C[C@@H](O[C@@]4([H])[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)C[C@H]2O)[C@]5(O)[C@](C)(C[C@H]3O)[C@H](CC5)C=6COC(=O)C6,"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1",LPMXVESGRSUGHW-HBYQJFLCSA-N
BMGC_DG08464,BMG_DG142757,C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,O[C@H]1[C@H](Oc2ccccc2CO)O[C@@H]([C@@H](O)[C@@H]1O)CO,"InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1",NGFMICBWJRZIBI-UJPOAAIJSA-N
BMGC_DG08465,BMG_DG142764,COC1=C(C=C2C(=C1)C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,c1cc(=O)oc2cc(c(cc12)OC)O[C@H]3[C@H](O)[C@H]([C@H](O)[C@@H](CO)O3)O,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",SGTCGCCQZOUMJJ-YMILTQATSA-N
BMGC_DG08466,BMG_DG142767,CC(C)C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)O)N,,"InChI=1S/C21H38N4O8/c1-9(2)7-12(22)17(28)20(31)25-16(11(5)6)19(30)24-15(10(3)4)18(29)23-13(21(32)33)8-14(26)27/h9-13,15-17,28H,7-8,22H2,1-6H3,(H,23,29)(H,24,30)(H,25,31)(H,26,27)(H,32,33)/t12-,13+,15+,16+,17+/m1/s1",QFAADIRHLBXJJS-ZAZJUGBXSA-N
BMGC_DG08467,BMG_DG142769,CC(C)C[C@H](C(=O)O)N,CC(C)C[C@H](C(=O)O)N,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1",ROHFNLRQFUQHCH-RXMQYKEDSA-N
BMGC_DG08468,BMG_DG142772,CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CC4=CC=C(C=C4)OC)N)O,n1([C@H]2[C@@H]([C@H](NC([C@H](Cc3ccc(OC)cc3)N)=O)[C@H](O2)CO)O)c4c(c(N(C)C)ncn4)nc1,"InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1",RXWNCPJZOCPEPQ-NVWDDTSBSA-N
BMGC_DG08469,BMG_DG142773,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O,,"InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1",UQZIYBXSHAGNOE-XNSRJBNMSA-N
BMGC_DG08470,BMG_DG142774,C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O,Oc1ccc(cc1O)[C@@H]2[C@@H](O)C(=O)c3c(O)cc(O)cc3O2,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",CXQWRCVTCMQVQX-LSDHHAIUSA-N
BMGC_DG08471,BMG_DG142779,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)CO)O)O,,"InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15?,16+/m1/s1",CDOJPCSDOXYJJF-CBTAGEKQSA-N
BMGC_DG08472,BMG_DG142781,CC12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O,,"InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16?,17+,18+,19-/m1/s1",IXORZMNAPKEEDV-QTWFBFKQSA-N
BMGC_DG08473,BMG_DG142783,,OC[C@@]1(O)[C@H](O)[C@@H](O)[C@H](CO)O1,,RFSUNEUAIZKAJO-AZGQCCRYSA-N
BMGC_DG08474,BMG_DG142784,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[C@H]1C)O,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1",SHZGCJCMOBCMKK-SXUWKVJYSA-N
BMGC_DG08475,BMG_DG142792,,P(C(O)(CCCCCCCCCCC)P(O)(O)=O)(O)(O)=O,,KKVZONPEMODBBG-UHFFFAOYSA-N
BMGC_DG08476,BMG_DG142795,,N[C@H](CCC)C(=O)O,,SNDPXSYFESPGGJ-SCSAIBSYSA-N
BMGC_DG08477,BMG_DG142797,C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,C[C@@]12[C@@]([H])([C@H](C)CCC=C(C)C)CC[C@@]1([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC2,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",AVSXSVCZWQODGV-DPAQBDIFSA-N
BMGC_DG08478,BMG_DG142805,C([C@H](C(=O)O)N)C(=O)N,C(C(=O)N)[C@H](C(=O)O)N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1",DCXYFEDJOCDNAF-UWTATZPHSA-N
BMGC_DG08479,BMG_DG142810,C1=CC=C(C=C1)[C@@H](C(=O)O)O,C(O)(=O)[C@@H](O)c1ccccc1,"InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1",IWYDHOAUDWTVEP-ZETCQYMHSA-N
BMGC_DG08480,BMG_DG142818,CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)CCl,[C@H](Cc1ccccc1)(C(CCl)=O)NS(c2ccc(C)cc2)(=O)=O,"InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1",MQUQNUAYKLCRME-INIZCTEOSA-N
BMGC_DG08481,BMG_DG142819,C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1C)O,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1",SHZGCJCMOBCMKK-FPRJBGLDSA-N
BMGC_DG08482,BMG_DG142820,C1[C@H](OC2=CC=CC=C2C1=O)C3=CC=CC=C3,[C@H]1(CC(=O)c2c(cccc2)O1)c3ccccc3,"InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2/t15-/m0/s1",ZONYXWQDUYMKFB-HNNXBMFYSA-N
BMGC_DG08483,BMG_DG142822,COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O,,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",KNWVMRVOBAFFMH-HNNXBMFYSA-N
BMGC_DG08484,BMG_DG142823,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1",FEWJPZIEWOKRBE-LWMBPPNESA-N
BMGC_DG08485,BMG_DG142831,,C(O)(=O)[C@@H]1NC(=O)CC1,,ODHCTXKNWHHXJC-GSVOUGTGSA-N
BMGC_DG08486,BMG_DG142833,CC[C@H](C(=O)O)N,CC[C@H](C(=O)O)N,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",QWCKQJZIFLGMSD-GSVOUGTGSA-N
BMGC_DG08487,BMG_DG142835,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC[C@H]3O)CO)O,n1(c2c([C@H](O)CNC=N2)nc1)[C@@H]3O[C@H](CO)[C@H](C3)O,"InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1",FPVKHBSQESCIEP-JQCXWYLXSA-N
BMGC_DG08488,BMG_DG142856,,N#CC[C@@H](C(=O)O)N,,BXRLWGXPSRYJDZ-VKHMYHEASA-N
BMGC_DG08489,BMG_DG142857,C1=CC(=C(C=C1C[C@@H](C(=O)O)N)I)O,C([C@H](Cc1cc(I)c(cc1)O)N)(=O)O,"InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1",UQTZMGFTRHFAAM-ZETCQYMHSA-N
BMGC_DG08490,BMG_DG142859,CSCC[C@@H](C(=O)O)NC=O,N([C@@H](CCSC)C(=O)O)C=O,"InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1",PYUSHNKNPOHWEZ-YFKPBYRVSA-N
BMGC_DG08491,BMG_DG142862,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,,"InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1",QBYUNVOYXHFVKC-GBURMNQMSA-N
BMGC_DG08492,BMG_DG142888,,C(C([O-])=O)[C@H](OC(=O)CCCCCCC)C[N+](C)(C)C,,CXTATJFJDMJMIY-ZDUSSCGKSA-N
BMGC_DG08493,BMG_DG142894,C[C@@H](CO)O,C[C@@H](CO)O,"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1",DNIAPMSPPWPWGF-VKHMYHEASA-N
BMGC_DG08494,BMG_DG142913,,,,
BMGC_DG08495,BMG_DG142918,C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N,C(c1ccc[n+](c1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)(=O)N,"InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1",JLEBZPBDRKPWTD-TURQNECASA-O
BMGC_DG08496,BMG_DG142922,C(CC(=O)O)[C@@H](C(=O)O)O,O=C(O)CC[C@H](O)C(=O)O,"InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1",HWXBTNAVRSUOJR-VKHMYHEASA-N
BMGC_DG08497,BMG_DG142930,,O(P(O)(O)=O)C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,,VFRROHXSMXFLSN-SLPGGIOYSA-N
BMGC_DG08498,BMG_DG142941,C(C[C@@H](C(=O)O)N)CN=C(N)NC(CC(=O)O)C(=O)O,,"InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6?/m0/s1",KDZOASGQNOPSCU-ZBHICJROSA-N
BMGC_DG08499,BMG_DG142942,C(C(=O)[O-])(C(=O)[O-])O,,"InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)/p-2",ROBFUDYVXSDBQM-UHFFFAOYSA-L
BMGC_DG08500,BMG_DG142945,C(C[C@@H](C(=O)O)N)CN=C(N)N[N+](=O)[O-],N(CCC[C@@H](C(O)=O)N)C(N[N+](=O)[O-])=N,"InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1",MRAUNPAHJZDYCK-BYPYZUCNSA-N
BMGC_DG08501,BMG_DG142946,C1[C@@H](CN[C@@H]1C(=O)O)O,N1[C@H](C(=O)O)C[C@@H](C1)O,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1",PMMYEEVYMWASQN-IMJSIDKUSA-N
BMGC_DG08502,BMG_DG142954,CC(=O)[C@@H](C(=O)O)N,,"InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)/t3-/m0/s1",SAUCHDKDCUROAO-VKHMYHEASA-N
BMGC_DG08503,BMG_DG142957,[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)(O)O)O)O,,"InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1?,2-,3-,4-,5+,6?/m0/s1",INAPMGSXUVUWAF-GFWFORPUSA-N
BMGC_DG08504,BMG_DG142959,C1CC(=NC1)C(=O)O,C(O)(=O)C=1CCCN1,"InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8)",RHTAIKJZSXNELN-UHFFFAOYSA-N
BMGC_DG08505,BMG_DG142961,,N[C@@H](Cn1ccc(=O)[nH]c1=O)C(O)=O,,FACUYWPMDKTVFU-BYPYZUCNSA-N
BMGC_DG08506,BMG_DG142964,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)C,,"InChI=1S/C26H45NO8S2/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1",HSNPMXROZIQAQD-GBURMNQMSA-N
BMGC_DG08507,BMG_DG142975,C1=CC(=CC=C1[C@@H](C#N)O)O,O[C@H](C#N)c1ccc(O)cc1,"InChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H/t8-/m1/s1",HOOOPXDSCKBLFG-MRVPVSSYSA-N
BMGC_DG08508,BMG_DG142978,C1=CC(=CC=C1CC=O)O,O=CCc1ccc(O)cc1,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",IPRPPFIAVHPVJH-UHFFFAOYSA-N
BMGC_DG08509,BMG_DG142979,C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,[C@]12([C@@]3([C@]([C@@]4(CCC([C@]4(CC3)C)=O)[H])(CC[C@@]1(CC(CC2)=O)[H])[H])[H])C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1",RAJWOBJTTGJROA-QJISAEMRSA-N
BMGC_DG08510,BMG_DG142983,C[N+](C)(C)CCCC[C@@H](C(=O)O)N,C(CCC[C@@H](C(=O)O)N)[N+](C)(C)C,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",MXNRLFUSFKVQSK-QMMMGPOBSA-O
BMGC_DG08511,BMG_DG142989,,,,
BMGC_DG08512,BMG_DG143008,,,,
BMGC_DG08513,BMG_DG143015,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N,,"InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",OIMACDRJUANHTJ-XPWFQUROSA-N
BMGC_DG08514,BMG_DG143019,C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O,,"InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2/t12-,15-,16+,17-,20+/m1/s1",LYGRISUQIZNHGM-IVABAYMNSA-N
BMGC_DG08515,BMG_DG143021,COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC,Oc1c(OC)cc2c([C@]3([H])Cc4ccc(OC)c(OC)c4CN3CC2)c1,"InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1",KDFKJOFJHSVROC-INIZCTEOSA-N
BMGC_DG08516,BMG_DG143022,C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(C[N+](=O)[O-])C4=CC=CC=C4,,"InChI=1S/C22H18N2O2/c25-24(26)15-19(16-9-3-1-4-10-16)21-18-13-7-8-14-20(18)23-22(21)17-11-5-2-6-12-17/h1-14,19,23H,15H2",OHZDCJJHWPHZJD-UHFFFAOYSA-N
BMGC_DG08517,BMG_DG143030,C1=CC(=CC=C1[C@H](CN)O)O,O[C@H](c1ccc(cc1)O)CN,"InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1",QHGUCRYDKWKLMG-QMMMGPOBSA-N
BMGC_DG08518,BMG_DG143042,C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O,O(C(=O)c1cc(O)c(O)c(O)c1)[C@H]2[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@@H](COC(=O)c4cc(O)c(O)c(O)c4)O2,"InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",LLENXGNWVNSBQG-VFTFQOQOSA-N
BMGC_DG08519,BMG_DG143049,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,,"InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1",NLTUCYMLOPLUHL-KQYNXXCUSA-N
BMGC_DG08520,BMG_DG143060,C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O,,"InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13-,16+,17-,18-,19-,20-,21-/m0/s1",MASCESDECGBIBB-HNXXTFFGSA-N
BMGC_DG08521,BMG_DG143080,C1=CN(C=C(C1=O)O)C[C@@H](C(=O)O)N,C(n1ccc(=O)c(O)c1)[C@H](N)C(=O)O,"InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1",WZNJWVWKTVETCG-YFKPBYRVSA-N
BMGC_DG08522,BMG_DG143091,C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C,,"InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9-10,19,21,23-25,28H,6,8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1",RUSSPKPUXDSHNC-DDPQNLDTSA-N
BMGC_DG08523,BMG_DG143093,C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C,[H][C@]12CCC3=C(CC[C@]4(C)[C@H](CC[C@]43C)[C@H](C)CCCC(C)C)[C@@]2(C)CC[C@H](O)C1(C)C,"InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1",MBZYKEVPFYHDOH-BQNIITSRSA-N
BMGC_DG08524,BMG_DG143098,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)O)C,[C@]12([C@@]3([C@@]([C@]4([C@@](C([C@@H](C4)O)=O)(CC3)C)[H])([H])CCC1=CC(CC2)=O)[H])C,"InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h9,13-16,21H,3-8,10H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1",SSBCZTXGVMMZOT-NBBHSKLNSA-N
BMGC_DG08525,BMG_DG143099,,[C@]1(C(=O)O)([C@H](CCN1)O)[H],,BJBUEDPLEOHJGE-IMJSIDKUSA-N
BMGC_DG08526,BMG_DG143114,C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=N)N)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3,,"InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)",XXTWZTPVNIYSJZ-UHFFFAOYSA-N
BMGC_DG08527,BMG_DG143126,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)O)O,[C@]12([C@]([C@]3([C@](c4c(cc(O)c(c4)O)CC3)([H])CC1)[H])(CCC2=O)[H])C,"InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1",SWINWPBPEKHUOD-JPVZDGGYSA-N
BMGC_DG08528,BMG_DG143127,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)OC)O,[C@]12([C@]([C@]3([C@](c4c(cc(O)c(c4)OC)CC3)([H])CC1)[H])(CCC2=O)[H])C,"InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1",WHEUWNKSCXYKBU-QPWUGHHJSA-N
BMGC_DG08529,BMG_DG143132,C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H]([C@@H](C(C)C)OC(=O)C[C@H](C3=C(C(=O)OC3=O)C)O)OC)O)O)C)O[C@H]1CC[C@H](C)C(=O)C,,"InChI=1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38+,41+/m0/s1",RFCWHQNNCOJYTR-IRCAEPKSSA-N
BMGC_DG08530,BMG_DG143143,C([C@@H]([C@@H]1C(=O)C(=O)C(=O)O1)O)O,C1(C([C@]([C@@H](O)CO)([H])OC1=O)=O)=O,"InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1",SBJKKFFYIZUCET-JLAZNSOCSA-N
BMGC_DG08531,BMG_DG143156,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C,[C@]12([C@@](C(=O)CO)(CC[C@]1([C@]3([C@]([C@@]4(C(=CC(=O)CC4)CC3)C)([H])CC2)[H])[H])O)C,"InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1",WHBHBVVOGNECLV-OBQKJFGGSA-N
BMGC_DG08532,BMG_DG143158,CC(C)CCC[C@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O,,"InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27+/m0/s1",MCKLJFJEQRYRQT-MGNSQDQZSA-N
BMGC_DG08533,BMG_DG143159,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,C[C@@]12[C@]([C@]3([C@@](c4c(CC3)cc(O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)cc4)(CC1)[H])[H])(CC[C@@H]2O)[H],"InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1",MUOHJTRCBBDUOW-QXYWQCSFSA-N
BMGC_DG08534,BMG_DG143160,C(C(=O)C(=O)O)S(=O)(=O)O,OC(=O)C(=O)CS(O)(=O)=O,"InChI=1S/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9)",BUTHMSUEBYPMKJ-UHFFFAOYSA-N
BMGC_DG08535,BMG_DG143167,C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O,O=C(c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])O,"InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)",NUFNQYOELLVIPL-UHFFFAOYSA-N
BMGC_DG08536,BMG_DG143168,C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O,c12C(C[C@H](Oc1cc(cc2O)O)c3cc(O)c(cc3)O)=O,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",SBHXYTNGIZCORC-ZDUSSCGKSA-N
BMGC_DG08537,BMG_DG143189,CN1C=CC(=O)C(=C1)C(=O)N,Cn1ccc(=O)c(c1)C(N)=O,"InChI=1S/C7H8N2O2/c1-9-3-2-6(10)5(4-9)7(8)11/h2-4H,1H3,(H2,8,11)",KTLRWTOPTKGYQY-UHFFFAOYSA-N
BMGC_DG08538,BMG_DG143193,C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O,,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7H,(H3-,16,17,18,19)/p+1",XVFMGWDSJLBXDZ-UHFFFAOYSA-O
BMGC_DG08539,BMG_DG143208,CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O,,"InChI=1S/C12H16N5O8P/c1-5(18)25-26(21,22)23-2-6-8(19)9(20)12(24-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H,21,22)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1",UBPVOHPZRZIJHM-WOUKDFQISA-N
BMGC_DG08540,BMG_DG143219,CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC,c12c(cc(cc1)CCC(=O)C)ccc(c2)OC,"InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3",BLXXJMDCKKHMKV-UHFFFAOYSA-N
BMGC_DG08541,BMG_DG143221,C([C@H]([C@@H](C(=O)O)N)O)OP(=O)(O)O,,"InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1",FKHAKIJOKDGEII-GBXIJSLDSA-N
BMGC_DG08542,BMG_DG143230,CC1=CC[C@@H](CC1)C(=C)C,C([C@H]1CC=C(CC1)C)(=C)C,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1",XMGQYMWWDOXHJM-JTQLQIEISA-N
BMGC_DG08543,BMG_DG143235,C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,N1(C([C@@H](CS)C)=O)[C@H](C(=O)O)CCC1,"InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1",FAKRSMQSSFJEIM-RQJHMYQMSA-N
BMGC_DG08544,BMG_DG143237,C[N+]1=CCCC1,,"InChI=1S/C5H10N/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3/q+1",FDWZAOGDOVQOLD-UHFFFAOYSA-N
BMGC_DG08545,BMG_DG143239,C1=CC(=CC=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,[C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)Oc2ccc(cc2)O,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",BJRNKVDFDLYUGJ-RMPHRYRLSA-N
BMGC_DG08546,BMG_DG143258,C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C,,"InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17?,18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1",RXMHNAKZMGJANZ-DTTSCKGMSA-N
BMGC_DG08547,BMG_DG143259,CC1=CC2=CC=CC=C2NC1=O,,"InChI=1S/C10H9NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h2-6H,1H3,(H,11,12)",POYSUXIHCXBJPN-UHFFFAOYSA-N
BMGC_DG08548,BMG_DG143260,C1CN[C@@H](C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O,[C@@H]1(NCCc2cc(c(cc12)O)O)Cc3ccc(cc3)O,"InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2/t14-/m1/s1",WZRCQWQRFZITDX-CQSZACIVSA-N
BMGC_DG08549,BMG_DG143262,,Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1O,,ABXZOXDTHTTZJW-GFCCVEGCSA-N
BMGC_DG08550,BMG_DG143267,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,,"InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13?,14+/m1/s1",HMQPEDMEOBLSQB-RPHKZZMBSA-N
BMGC_DG08551,BMG_DG143268,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)O)O)O)O,,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+/m1/s1",GUBGYTABKSRVRQ-QKKXKWKRSA-N
BMGC_DG08552,BMG_DG143269,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)O,,"InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1",BRGMHAYQAZFZDJ-RTRLPJTCSA-N
BMGC_DG08553,BMG_DG143272,CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(CC4)O)F)C(=O)O,CC1CCc2c3c(cc(c2N4CCC(CC4)O)F)c(=O)c(cn13)C(=O)O,"InChI=1S/C19H21FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21/h8-11,23H,2-7H2,1H3,(H,25,26)",JYJTVFIEFKZWCJ-UHFFFAOYSA-N
BMGC_DG08554,BMG_DG143275,C1=CC2=C(C(=C1)Cl)OC3=C(C(=C(C=C23)Cl)Cl)Cl,c12cc(Cl)c(Cl)c(Cl)c1oc3c(Cl)cccc32,InChI=1S/C12H4Cl4O/c13-7-3-1-2-5-6-4-8(14)9(15)10(16)12(6)17-11(5)7/h1-4H,JNVHSHPAAMRSKK-UHFFFAOYSA-N
BMGC_DG08555,BMG_DG143285,,C1(c2cc(Cl)c(c(c2)Cl)OCCCCCc3onc(c3)C)=NCCO1,,JJDHAOLOHQTGMG-UHFFFAOYSA-N
BMGC_DG08556,BMG_DG143287,,C1N([C@]2(c3c(cc(c(c3Oc4c(cc5c(c4)[C@@](N(C)CC5)(Cc6ccc(cc6)Oc7cc(ccc7O)C2)[H])OC)O)OC)C1)[H])C,,XGEAUXVPBXUBKN-WUFINQPMSA-N
BMGC_DG08557,BMG_DG143289,C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75,[C@@]123[C@]4(N(C(=O)C[C@]5([C@]4([H])[C@]6(C[C@@]1(N(CC6=CCO5)CC2)[H])[H])[H])c7c3cccc7)[H],"InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1",QMGVPVSNSZLJIA-FVWCLLPLSA-N
BMGC_DG08558,BMG_DG143292,COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O,[N@]12[C@@]([C@H](c3c4c(ccc(c4)OC)ncc3)O)(C[C@H](CC1)[C@H](C2)C=C)[H],"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1",LOUPRKONTZGTKE-LHHVKLHASA-N
BMGC_DG08559,BMG_DG143294,CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H](C2[C@H]5O)N3[C@@H]1O)C6=CC=CC=C6N4C,,"InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16?,17-,18+,19+,20+/m0/s1",CJDRUOGAGYHKKD-HEFSZTOGSA-N
BMGC_DG08560,BMG_DG143296,,C1[C@@]23[C@](CC[C@]2([C@@]4(CC=C5C[C@H](CC[C@@]5([C@]4(CC3)[H])C)N(C)C)[H])[H])([C@H](C)N1C)[H],,GPLGAQQQNWMVMM-MYAJQUOBSA-N
BMGC_DG08561,BMG_DG143303,CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O,,"InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3",VWPOSFSPZNDTMJ-UHFFFAOYSA-N
BMGC_DG08562,BMG_DG143312,CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3,c12c([nH]c(c1)C)cccc2OCC(OC(=O)c3ccccc3)CNC(C)(C)C,"InChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3",UUOJIACWOAYWEZ-UHFFFAOYSA-N
BMGC_DG08563,BMG_DG143315,C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O.O.O.O,C(N(C)C)(=O)[C@H]1NC[C@H](C1)SC=2[C@H](C)[C@@]3([H])N(C2C(=O)O)C(=O)[C@@]3([C@H](O)C)[H].O.O.O,"InChI=1S/C17H25N3O5S.3H2O/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4;;;/h7-12,18,21H,5-6H2,1-4H3,(H,24,25);3*1H2/t7-,8-,9+,10+,11-,12-;;;/m1.../s1",CTUAQTBUVLKNDJ-OBZXMJSBSA-N
BMGC_DG08564,BMG_DG143316,C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O,N12C(=C(S[C@H]3C[C@@H](C(N(C)C)=O)NC3)[C@@H]([C@@]1([C@]([C@H](O)C)([H])C2=O)[H])C)C(=O)O,"InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1",DMJNNHOOLUXYBV-PQTSNVLCSA-N
BMGC_DG08565,BMG_DG143322,C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC,[C@]12(C(c3c(cc(c(c3O1)Cl)OC)OC)=O)C(=CC(C[C@H]2C)=O)OC,"InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1",DDUHZTYCFQRHIY-RBHXEPJQSA-N
BMGC_DG08566,BMG_DG143330,C1=CC(=CC=C1C(=NCCCC(=O)N)C2=C(C=CC(=C2)F)O)Cl,C(\c1ccc(Cl)cc1)(/c2cc(F)ccc2O)=N/CCCC(=O)N;C(CCCN=C(c1c(ccc(c1)F)O)c2ccc(cc2)Cl)(=O)N,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)",IBALRBWGSVJPAP-FXBPSFAMSA-N;IBALRBWGSVJPAP-UHFFFAOYSA-N
BMGC_DG08567,BMG_DG143345,CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN.C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O,,"InChI=1S/C10H14N2O4.C9H11NO4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6;10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h2-4,12-14H,5,11H2,1H3,(H,15,16);1-2,4,6,11-12H,3,10H2,(H,13,14)/t;6-/m.0/s1",IVTMXOXVAHXCHI-ZCMDIHMWSA-N
BMGC_DG08568,BMG_DG143351,CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3,[C@@]1(C(N2C(=C(COC(=O)N)CS[C@]12[H])C(=O)O)=O)(NC(Cc3sccc3)=O)OC,"InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1",WZOZEZRFJCJXNZ-ZBFHGGJFSA-N
BMGC_DG08569,BMG_DG143357,N.N.Cl[Pt+2]Cl,,InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+4/p-2,BSJGASKRWFKGMV-UHFFFAOYSA-L
BMGC_DG08570,BMG_DG143359,C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O,[C@]12([C@@]([C@@H](C3=CC(=O)OC3)CC1)(CC[C@@]4([C@]5(CC[C@H](O[C@@]6(O[C@H](C)[C@H]([C@H](C6)O)O[C@@]7(O[C@H](C)[C@H]([C@H](C7)O)O[C@@]8(O[C@H](C)[C@H]([C@H](C8)O)O)[H])[H])[H])C[C@]5(CC[C@@]24[H])[H])C)[H])C)O,"InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1",WDJUZGPOPHTGOT-XUDUSOBPSA-N
BMGC_DG08571,BMG_DG143364,CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCC2CCCO)O)O,,"InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3",YNZFFALZMRAPHQ-UHFFFAOYSA-N
BMGC_DG08572,BMG_DG143416,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O,N1([C@H](C(NC(C)(C)C)=O)C[C@]2([C@@](C1)(CCCC2)[H])[H])C[C@H]([C@@H](NC([C@@H](NC(c3nc4ccccc4cc3)=O)CC(=O)N)=O)Cc5ccccc5)O,"InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1",QWAXKHKRTORLEM-UGJKXSETSA-N
BMGC_DG08573,BMG_DG143417,C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Ag+],c1c(ccc(c1)S(=O)(=O)[N-]c2ncccn2)N.[Ag+],"InChI=1S/C10H9N4O2S.Ag/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1",UEJSSZHHYBHCEL-UHFFFAOYSA-N
BMGC_DG08574,BMG_DG143422,,CC(=CCc1c(cc2c(c1O)c(=O)c(co2)-c3c(cc(cc3)O)O)OC)C,,AZPLXDBZIQMMMT-UHFFFAOYSA-N
BMGC_DG08575,BMG_DG143429,,O=C1CCC(F)(F)[C@H](N1C[C@@H](N)CC(N2CCc3c(C(F)(F)F)nc(C(F)(F)F)nc3C2)=O)O,,DMXWXVXGQLCKOY-VXJOIVPMSA-N
BMGC_DG08576,BMG_DG143434,CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C,,"InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1",RCINICONZNJXQF-VAZQATRQSA-N
BMGC_DG08577,BMG_DG143435,C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC=C(C)C)C)C=C(C=C3)O.Cl,[C@@]12(c3c(ccc(c3)O)C[C@H]([C@@H]1C)N(CC=C(C)C)CC2)C.Cl,"InChI=1S/C19H27NO.ClH/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19;/h5-7,12,14,18,21H,8-11H2,1-4H3;1H/t14-,18+,19+;/m0./s1",OQGYMIIFOSJQSF-DTOXXUQYSA-N
BMGC_DG08578,BMG_DG143436,C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC=C(C)C)C)C=C(C=C3)O,N1(CC=C(C)C)[C@H]2[C@H](C)[C@](c3c(ccc(c3)O)C2)(CC1)C,"InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1",VOKSWYLNZZRQPF-GDIGMMSISA-N
BMGC_DG08579,BMG_DG143438,,,,
BMGC_DG08580,BMG_DG143442,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C,[C@]12([C@]([C@]3([C@]([C@]4(C[C@H]([N+]5(C)CCCCC5)[C@H](C[C@]4([H])CC3)OC(=O)C)C)([H])CC1)[H])(C[C@@H]([C@@H]2OC(=O)C)[N+]6(C)CCCCC6)[H])C,"InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1",GVEAYVLWDAFXET-XGHATYIMSA-N
BMGC_DG08581,BMG_DG143444,CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C,[C@]12([C@]([C@]3([C@]([C@]4(C[C@H](N5CCOCC5)[C@H](C[C@]4([H])CC3)O)C)([H])CC1)[H])(C[C@@H]([C@@H]2OC(=O)C)[N+]6(CC=C)CCCC6)[H])C,"InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1",YXRDKMPIGHSVRX-OOJCLDBCSA-N
BMGC_DG08582,BMG_DG143450,,,,
BMGC_DG08583,BMG_DG143451,,,,
BMGC_DG08584,BMG_DG143452,,,,
BMGC_DG08585,BMG_DG143453,,,,
BMGC_DG08586,BMG_DG143454,,,,
BMGC_DG08587,BMG_DG143455,,,,
BMGC_DG08588,BMG_DG143456,,,,
BMGC_DG08589,BMG_DG143457,,,,
BMGC_DG08590,BMG_DG143459,,,,
BMGC_DG08591,BMG_DG143460,,,,
BMGC_DG08592,BMG_DG143461,,,,
BMGC_DG08593,BMG_DG143462,,,,
BMGC_DG08594,BMG_DG143463,C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)NC3CCNCC3,S(=O)(=O)(ON1[C@@H]2CC[C@H]([N@](C1=O)C2)C(NC3CCNCC3)=O)O,"InChI=1S/C12H20N4O6S/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21/h8-10,13H,1-7H2,(H,14,17)(H,19,20,21)/t9-,10+/m1/s1",SMOBCLHAZXOKDQ-ZJUUUORDSA-N
BMGC_DG08595,BMG_DG143464,CC1=CC(=CC(=C1)[C@@H]2CCCN2CC3=CC=C(C=C3)OC4=C(C=C(C=C4)C(=O)N)F)C,c1c([C@@H]2CCCN2Cc3ccc(cc3)Oc4c(cc(cc4)C(=O)N)F)cc(C)cc1C,"InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)/t24-/m0/s1",ZHPMYDSXGRRERG-DEOSSOPVSA-N
BMGC_DG08596,BMG_DG143465,,C(c1cc(ccc1)-c2ncnc(c2)Nc3ccc(cc3)OC(F)(F)F)(=O)NCCO,,IIQUYGWWHIHOCF-UHFFFAOYSA-N
BMGC_DG08597,BMG_DG143466,,N[C@H](C(N[C@@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3c[nH]c4ccccc43)NC1=O)=O)Cc5ccc(O)cc5,,CFVGCGXJRNVTFP-LYXINOJLSA-N
BMGC_DG08598,BMG_DG143467,CC(C)C(=O)[C@]12C(=O)C(=C([C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C,C1(=C(CC=C(C)C)C([C@]2(C[C@@H]([C@]([C@@]1(C2=O)C(C(C)C)=O)(CCC=C(C)C)C)CC=C(C)C)CC=C(C)C)=O)O,"InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,37H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1",KGSZHKRKHXOAMG-HQKKAZOISA-N;IWBJJCOKGLUQIZ-HQKKAZOISA-N
BMGC_DG08599,BMG_DG143468,C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N=C(N)N,c1c2c(cc(cc2)C(N)=N)ccc1OC(c3ccc(cc3)NC(N)=N)=O,"InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)",MQQNFDZXWVTQEH-UHFFFAOYSA-N
BMGC_DG08600,BMG_DG143469,C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO,c12n([C@H]3C=C[C@H](C3)CO)cnc1c(NC4CC4)nc(n2)N,"InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1",MCGSCOLBFJQGHM-SCZZXKLOSA-N
BMGC_DG08601,BMG_DG143471,C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,[C@]12([C@@]3([C@]([C@@]4(CCC([C@]4(CC3)C)=O)[H])(CC[C@]1(C[C@H](CC2)O)[H])[H])[H])C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1",QGXBDMJGAMFCBF-LUJOEAJASA-N
BMGC_DG08602,BMG_DG143473,CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N,[C@H]1([C@H]([C@H](O[C@]2(OC(CN)=CC[C@H]2N)[H])[C@H](C[C@H]1NCC)N)O)O[C@@]3([C@@H]([C@@H](NC)[C@](CO3)(O)C)O)[H],"InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1",CIDUJQMULVCIBT-MQDUPKMGSA-N
BMGC_DG08603,BMG_DG143477,CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O.CC(C)(C)N,N1([C@@H](C[C@@]2(CCCC[C@]12[H])[H])C(=O)O)C([C@H](C)N[C@@H](CCC)C(=O)OCC)=O.C(N)(C)(C)C,"InChI=1S/C19H32N2O5.C4H11N/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;1-4(2,3)5/h12-16,20H,4-11H2,1-3H3,(H,23,24);5H2,1-3H3/t12-,13-,14-,15-,16-;/m0./s1",IYNMDWMQHSMDDE-MHXJNQAMSA-N
BMGC_DG08604,BMG_DG143478,C1[C@@H]([C@H]([C@@H]([C@H](N1CCO)CO)O)O)O,N1([C@@H]([C@@H](O)[C@@H]([C@H](C1)O)O)CO)CCO,"InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1",IBAQFPQHRJAVAV-ULAWRXDQSA-N
BMGC_DG08605,BMG_DG143494,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)Cl)C,[C@]12([C@](O)([C@H](C)C[C@]1([C@@]3(CCC=4[C@@]([C@]3([C@H](C2)O)Cl)(C=CC(=O)C4)C)[H])[H])C(=O)CCl)C,"InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",QLIIKPVHVRXHRI-CXSFZGCWSA-N
BMGC_DG08606,BMG_DG143495,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C,[C@]12([C@](OC(c3occc3)=O)([C@H](C)C[C@]1([C@@]4(CCC=5[C@@]([C@]4([C@H](C2)O)Cl)(C=CC(=O)C5)C)[H])[H])C(=O)CCl)C,"InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1",WOFMFGQZHJDGCX-ZULDAHANSA-N
BMGC_DG08607,BMG_DG143534,C[C@](CC1=CC=C(C=C1)O)(C(=O)O)N,N[C@@](Cc1ccc(cc1)O)(C(=O)O)C,"InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1",NHTGHBARYWONDQ-JTQLQIEISA-N
BMGC_DG08608,BMG_DG143535,CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-],[C@@]12([C@H]([C@@H]([N+]3(CC=C)CCCC3)C[C@]2([C@@]4(CC[C@@]5([C@@](C[C@H](N6CCOCC6)[C@H](C5)O)(C)[C@]4(CC1)[H])[H])[H])[H])OC(C)=O)C.[Br-],"InChI=1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1",OYTJKRAYGYRUJK-FMCCZJBLSA-M
BMGC_DG08609,BMG_DG143555,CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4,[C@@H](Nc1c(C(O)=O)cccc1)(C)c2c3n(c(=O)cc(n3)N4CCOCC4)cc(c2)C,"InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1",IRTDIKMSKMREGO-OAHLLOKOSA-N
BMGC_DG08610,BMG_DG143556,C1C[C@@H](N(C1)C2=CC(=C(C=C2)C#N)C(F)(F)F)[C@H](C(F)(F)F)O,c1(cc(ccc1C#N)N2CCC[C@@]2([C@H](C(F)(F)F)O)[H])C(F)(F)F,"InChI=1S/C14H12F6N2O/c15-13(16,17)10-6-9(4-3-8(10)7-21)22-5-1-2-11(22)12(23)14(18,19)20/h3-4,6,11-12,23H,1-2,5H2/t11-,12-/m1/s1",OPSIVAKKLQRWKC-VXGBXAGGSA-N
BMGC_DG08611,BMG_DG143559,CN1C=C(C=N1)C2=CC3=C(C=CC4=C(C3=O)C=C(C=C4)NS(=O)(=O)N(C)C[C@@H]5COCCO5)N=C2,S(=O)(=O)(Nc1ccc2c(c(c3c(ncc(c3)-c4cnn(c4)C)cc2)=O)c1)N(C)C[C@H]5OCCOC5,"InChI=1S/C24H25N5O5S/c1-28-13-18(12-26-28)17-9-22-23(25-11-17)6-4-16-3-5-19(10-21(16)24(22)30)27-35(31,32)29(2)14-20-15-33-7-8-34-20/h3-6,9-13,20,27H,7-8,14-15H2,1-2H3/t20-/m1/s1",JGEBLDKNWBUGRZ-HXUWFJFHSA-N
BMGC_DG08612,BMG_DG143560,,O=C(c1ccc(-c2ccc(F)cc2)cc1)N3CCC(Cc4ncc[nH]4)CC3,,QSLPZMYMMHGUKF-UHFFFAOYSA-N
BMGC_DG08613,BMG_DG143565,CC(C)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl,,"InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1",BLSQLHNBWJLIBQ-OZXSUGGESA-N
BMGC_DG08614,BMG_DG143572,CCOC(=O)OC(C)OC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)[C@@H](C3=CC=CC=C3)N)(C)C,N12[C@@](SC([C@@H]1C(OC(OC(OCC)=O)C)=O)(C)C)([H])[C@@H](C2=O)NC([C@@H](c3ccccc3)N)=O,"InChI=1S/C21H27N3O7S/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25)/t11?,13-,14-,15+,18-/m1/s1",PFOLLRNADZZWEX-FFGRCDKISA-N
BMGC_DG08615,BMG_DG143573,C1CC2=CN=CN2[C@H]1C3=C(C=C(C=C3)C#N)F,n12c(cnc1)CC[C@@]2(c3ccc(cc3F)C#N)[H],"InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1",USUZGMWDZDXMDG-CYBMUJFWSA-N
BMGC_DG08616,BMG_DG143578,CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F,C1(N(c2cc(F)c(cc2)N3CCOCC3)C[C@@H](O1)CNC(=O)C)=O,"InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1",TYZROVQLWOKYKF-ZDUSSCGKSA-N
BMGC_DG08617,BMG_DG143580,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=CC(=O)CC[C@]35C,[C@]12(C(=CC(CC1)=O)CC[C@]3([C@@]4(CC[C@@H]([C@]4(CC[C@]23[H])C)OC(=O)CCC5CCCC5)[H])[H])C,"InChI=1S/C27H40O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h17-18,21-24H,3-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1",HPFVBGJFAYZEBE-ZLQWOROUSA-N
BMGC_DG08618,BMG_DG143581,,Fc1ccc(S(C[C@](C(Nc2ccc(C#N)c(C(F)(F)F)c2)=O)(O)C)(=O)=O)cc1,,LKJPYSCBVHEWIU-QGZVFWFLSA-N
BMGC_DG08619,BMG_DG143584,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COP(=O)(O)O)O)C)O,[C@@]12([C@@](C(COP(=O)(O)O)=O)(CC[C@]2([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)[H])(CCC(=O)C4)C)[H])[H])O)C,"InChI=1S/C21H31O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",BGSOJVFOEQLVMH-VWUMJDOOSA-N
BMGC_DG08620,BMG_DG143585,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COP(=O)([O-])[O-])O)CCC4=CC(=O)C=C[C@]34C)O.[Na+].[Na+],[Na+].O(CC([C@]1(CC[C@]2([C@@]3(CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]21C)O)[H])C)[H])[H])O)=O)P([O-])([O-])=O.[Na+],"InChI=1S/C21H29O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);;/q;2*+1/p-2/t14-,15-,16-,18+,19-,20-,21-;;/m0../s1",VJZLQIPZNBPASX-OJJGEMKLSA-L
BMGC_DG08621,BMG_DG143595,,,,
BMGC_DG08622,BMG_DG143597,,,,
BMGC_DG08623,BMG_DG143599,,,,
BMGC_DG08624,BMG_DG143614,C(CON)[C@@H](C(=O)O)N,[C@@H](C(O)=O)(CCON)N,"InChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1",FQPGMQABJNQLLF-VKHMYHEASA-N
BMGC_DG08625,BMG_DG143615,,,,
BMGC_DG08626,BMG_DG143616,,,,
BMGC_DG08627,BMG_DG143617,,,,
BMGC_DG08628,BMG_DG143618,,,,
BMGC_DG08629,BMG_DG143619,CCC(C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)C(NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)[C@@H](C)O,,"InChI=1S/C52H98N16O13/c1-9-29(6)11-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-27(2)3)66-50(79)39(26-28(4)5)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t29?,30-,31-,32+,33+,34+,35+,36-,37+,38-,39-,41?,42+/m1/s1",YKQOSKADJPQZHB-RGYSVOEGSA-N
BMGC_DG08630,BMG_DG143705,CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)NCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CN=CN2)CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)[C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN,,"InChI=1S/C267H404N72O78S6/c1-29-137(23)212(330-199(355)109-269)260(412)334-211(136(21)22)256(408)305-166(79-86-206(365)366)226(378)298-163(75-82-196(273)352)230(382)326-190-122-421-422-123-191-251(403)322-185(117-341)249(401)312-170(94-129(7)8)234(386)313-176(101-146-57-65-152(346)66-58-146)237(389)299-161(73-80-194(271)350)227(379)308-169(93-128(5)6)232(384)301-165(78-85-205(363)364)229(381)320-182(107-197(274)353)244(396)316-178(103-148-61-69-154(348)70-62-148)240(392)325-188(222(374)290-115-207(367)368)120-418-420-121-189(221(373)288-112-200(356)294-160(76-83-203(359)360)225(377)297-157(53-42-88-284-265(276)277)219(371)287-113-201(357)295-174(99-144-48-36-32-37-49-144)236(388)315-175(100-145-50-38-33-39-51-145)239(391)317-179(104-149-63-71-155(349)72-64-149)247(399)338-216(142(28)345)263(415)339-91-45-56-193(339)254(406)302-158(52-40-41-87-268)231(383)336-214(140(26)343)261(413)303-159(54-43-89-285-266(278)279)224(376)306-167(264(416)417)55-44-90-286-267(280)281)328-258(410)210(135(19)20)333-245(397)172(96-131(11)12)310-238(390)177(102-147-59-67-153(347)68-60-147)314-233(385)168(92-127(3)4)307-217(369)139(25)293-223(375)164(77-84-204(361)362)304-255(407)209(134(17)18)332-246(398)173(97-132(13)14)311-242(394)181(106-151-111-283-126-292-151)319-248(400)184(116-340)296-202(358)114-289-220(372)187(119-419-423-124-192(327-252(190)404)253(405)337-215(141(27)344)262(414)323-186(118-342)250(402)335-213(138(24)30-2)259(411)329-191)324-235(387)171(95-130(9)10)309-241(393)180(105-150-110-282-125-291-150)318-228(380)162(74-81-195(272)351)300-243(395)183(108-198(275)354)321-257(409)208(133(15)16)331-218(370)156(270)98-143-46-34-31-35-47-143/h31-39,46-51,57-72,110-111,125-142,156-193,208-216,340-349H,29-30,40-45,52-56,73-109,112-124,268-270H2,1-28H3,(H2,271,350)(H2,272,351)(H2,273,352)(H2,274,353)(H2,275,354)(H,282,291)(H,283,292)(H,287,371)(H,288,373)(H,289,372)(H,290,374)(H,293,375)(H,294,356)(H,295,357)(H,296,358)(H,297,377)(H,298,378)(H,299,389)(H,300,395)(H,301,384)(H,302,406)(H,303,413)(H,304,407)(H,305,408)(H,306,376)(H,307,369)(H,308,379)(H,309,393)(H,310,390)(H,311,394)(H,312,401)(H,313,386)(H,314,385)(H,315,388)(H,316,396)(H,317,391)(H,318,380)(H,319,400)(H,320,381)(H,321,409)(H,322,403)(H,323,414)(H,324,387)(H,325,392)(H,326,382)(H,327,404)(H,328,410)(H,329,411)(H,330,355)(H,331,370)(H,332,398)(H,333,397)(H,334,412)(H,335,402)(H,336,383)(H,337,405)(H,338,399)(H,359,360)(H,361,362)(H,363,364)(H,365,366)(H,367,368)(H,416,417)(H4,276,277,284)(H4,278,279,285)(H4,280,281,286)/t137-,138-,139-,140+,141+,142+,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,208-,209-,210-,211-,212-,213-,214-,215-,216-/m0/s1",COCFEDIXXNGUNL-RFKWWTKHSA-N
BMGC_DG08631,BMG_DG143753,[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,C(O)(=O)[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H](O1)O)O,"InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1",AEMOLEFTQBMNLQ-DTEWXJGMSA-N
BMGC_DG08632,BMG_DG143771,,O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1C)O,,SHZGCJCMOBCMKK-DVKNGEFBSA-N
BMGC_DG08633,BMG_DG143777,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,C1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m1/s1",SRBFZHDQGSBBOR-TXICZTDVSA-N
BMGC_DG08634,BMG_DG144039,,S(C)c1c(c2n(n1)c(C)cc(C)n2)S(c3ccccc3)(=O)=O,,KSAUCBGUWGWPDL-UHFFFAOYSA-N
BMGC_DG08635,BMG_DG144045,CN1C[C@@H]2[C@H](C1)C2CN(CC3=CC(=C(C=C3)F)Cl)C(=O)C4=CN(C=N4)C,c1(cn(cn1)C)C(N(C[C@@H]2[C@]3(CN(C[C@]32[H])C)[H])Cc4cc(c(cc4)F)Cl)=O,"InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15?",KYLOBHXXQOZRKK-YIONKMFJSA-N;KYLOBHXXQOZRKK-FICVDOATSA-N
BMGC_DG08636,BMG_DG144046,CC(C)(C)CNCCN1C2=C(C(=NC=C2)N)N=C1SC3=CC4=C(C=C3N(C)C)OCO4,c1(c2c(ccn1)n(c(n2)Sc3c(cc4c(OCO4)c3)N(C)C)CCNCC(C)(C)C)N,"InChI=1S/C22H30N6O2S/c1-22(2,3)12-24-8-9-28-14-6-7-25-20(23)19(14)26-21(28)31-18-11-17-16(29-13-30-17)10-15(18)27(4)5/h6-7,10-11,24H,8-9,12-13H2,1-5H3,(H2,23,25)",RVJIQAYFTOPTKK-UHFFFAOYSA-N
BMGC_DG08637,BMG_DG144052,,c1cc(c(cc1C(F)(F)F)CN(C(NCc2ccccc2)=O)CC)-c3c(ccc(c3)CC(O)=O)OC,,OPXIRFWNLBDKQB-UHFFFAOYSA-N
BMGC_DG08638,BMG_DG144055,,O[C@@H]1[C@@]23c4c(C[N@]([C@]2(C[C@H](OC)C=C3)[H])C1)cc5c(c4)OCO5,,YGPRSGKVLATIHT-HSHDSVGOSA-N
BMGC_DG08639,BMG_DG144057,,c1(cc(ccc1OC)CC(=O)O)-c2c(cc(cc2)C(F)(F)F)CN(CC)C(=O)C3CC3,,MPEHLMJOBXIHAL-UHFFFAOYSA-N
BMGC_DG08640,BMG_DG144060,COC1=CC2=C(C=C1)C(=C(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5,C=1(c2c(CCC1c3ccccc3)cc(OC)cc2)c4ccc(OCCN5CCCC5)cc4,"InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3",JEYWNNAZDLFBFF-UHFFFAOYSA-N
BMGC_DG08641,BMG_DG144070,CC(=CCC[C@@H]([C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)C)C)C(=O)O)C,C[C@@]12C3=C([C@]4(C)[C@@](CC3)(C(C)(C)[C@H](O)CC4)[H])CC[C@@]1(C)[C@]([C@H](CCC=C(C)C)C(O)=O)(CC2)[H],"InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1",NBSBUIQBEPROBM-IMJUUJEHSA-N
BMGC_DG08642,BMG_DG144077,,Oc1c(O)cc2[o+]c(-c3cc(O)c(cc3)O)c(O)cc2c1O,,PWDAKBACEAGRSH-UHFFFAOYSA-O
BMGC_DG08643,BMG_DG144079,CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32,C(C(Cc1c2c(ccc1)cccc2)CC3OCCC3)(=O)OCCN(CC)CC,"InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3",KBAFPSLPKGSANY-UHFFFAOYSA-N
BMGC_DG08644,BMG_DG144080,C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2)O)O)O)O,[o+]1c2c(c(O)cc(c2)O)ccc1-c3cc(O)c(cc3)O,"InChI=1S/C15H10O5/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8/h1-7H,(H3-,16,17,18,19)/p+1",GDNIGMNXEKGFIP-UHFFFAOYSA-O
BMGC_DG08645,BMG_DG144087,,,,
BMGC_DG08646,BMG_DG144088,,,,
BMGC_DG08647,BMG_DG144100,C1=CC2=C(C=CN2)C=C1NC3=NC(=CN=C3N)C4=CC=NC=C4,c1(c(ncc(n1)-c2ccncc2)N)Nc3cc4cc[nH]c4cc3,"InChI=1S/C17H14N6/c18-16-17(22-13-1-2-14-12(9-13)5-8-20-14)23-15(10-21-16)11-3-6-19-7-4-11/h1-10,20H,(H2,18,21)(H,22,23)",JLRIJKVMMZEKDF-UHFFFAOYSA-N
BMGC_DG08648,BMG_DG144101,COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O,COc1cc(cc(c1O)O)-c2c(cc3c(cc(cc3[o+]2)O)O)O,"InChI=1S/C16H12O7/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16/h2-6H,1H3,(H4-,17,18,19,20,21)/p+1",AFOLOMGWVXKIQL-UHFFFAOYSA-O
BMGC_DG08649,BMG_DG144107,,n1(nc(c(c1-c2cc(cc(c2)F)F)C)CN[C@@H]3C[C@@H](CC3)F)CCC#N,,LJTOZIFFXNLWEQ-PBHICJAKSA-N
BMGC_DG08650,BMG_DG144118,COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC4=CC=CC=C43)O,c1ccc2ccccc2c1OCC(CN3CCN(CC3)c4c(cccc4)OC)O,"InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3",HRRBJVNMSRJFHQ-UHFFFAOYSA-N
BMGC_DG08651,BMG_DG144123,C[C@H](C1=NN=C2N1C=C(C=C2F)C3=CN(N=C3)C)N4C=CC5=C(C4=O)C=C(C=N5)OCCOC,c1(cn2c(nnc2[C@H](n3c(=O)c4c(ncc(c4)OCCOC)cc3)C)c(F)c1)-c5cn(C)nc5,"InChI=1S/C23H22FN7O3/c1-14(30-5-4-20-18(23(30)32)9-17(11-25-20)34-7-6-33-3)21-27-28-22-19(24)8-15(13-31(21)22)16-10-26-29(2)12-16/h4-5,8-14H,6-7H2,1-3H3/t14-/m1/s1",DWHXUGDWKAIASB-CQSZACIVSA-N
BMGC_DG08652,BMG_DG144136,COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F,C1(CC1)(S(=O)(=O)Nc2c(c(c(cc2OC)F)F)Nc3c(cc(cc3)I)F)C[C@@H](CO)O,"InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1",RDSACQWTXKSHJT-NSHDSACASA-N
BMGC_DG08653,BMG_DG144138,,N(CC)[C@@H]1Cc2c(C1)cc3c(c2)nc(s3)N,,GTXFOEHPKNATLV-SECBINFHSA-N
BMGC_DG08654,BMG_DG144142,COCCOC1=C(C=CC(=C1)CC2CCN(CC2)CCC3=CC4=C(C=C3)OCCC4=O)Br,,"InChI=1S/C26H32BrNO4/c1-30-14-15-32-26-18-21(2-4-23(26)27)16-20-7-11-28(12-8-20)10-6-19-3-5-25-22(17-19)24(29)9-13-31-25/h2-5,17-18,20H,6-16H2,1H3",ZSVLGHSNQJYODD-UHFFFAOYSA-N
BMGC_DG08655,BMG_DG144155,CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O,,"InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15?,16-,22-/m1/s1",GCFBRXLSHGKWDP-WTKTZPJXSA-N
BMGC_DG08656,BMG_DG144157,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O)O,[C@]12([C@@]3([C@]([C@@]4([C@]([C@@H](C5=CC(=O)OC5)CC4)(C)CC3)O)(CC[C@@]1(C[C@@H](O[C@]6([C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)[H])CC2)O)[H])[H])C=O,"InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1",HULMNSIAKWANQO-JQKSAQOKSA-N
BMGC_DG08657,BMG_DG144158,C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O,C(=O)[C@@]12[C@@]3([C@]([C@]4(O)[C@@](CC3)(C)[C@H](CC4)C=5COC(C5)=O)(CC[C@]1(O)C[C@H](CC2)O[C@]6(C[C@H](OC)[C@@H]([C@H](O6)C)O)[H])[H])[H],"InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1",XQCGNURMLWFQJR-ZNDDOCHDSA-N
BMGC_DG08658,BMG_DG144169,CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)CSc3n(nnn3)C)[H])NC([C@H](NC(N4C(C(=O)N(CC4)CC)=O)=O)c5ccc(O)cc5)=O,"InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1",GCFBRXLSHGKWDP-XCGNWRKASA-N
BMGC_DG08659,BMG_DG144173,C1=CC(=C(C=C1I)F)NC2=C(C=CN=C2)C(=O)NC[C@@H](CO)O,N(C[C@H](O)CO)C(c1ccncc1Nc2ccc(I)cc2F)=O,"InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1",VIUAUNHCRHHYNE-JTQLQIEISA-N
BMGC_DG08660,BMG_DG144176,,N(C(=O)Nc1ccc(cc1)C(=O)N2CCN(CC2)C)c3ccc(cc3)-c4nc5c(c(n4)N6CCOCC6)nnn5CC,,ZAXFYGBKZSQBIV-UHFFFAOYSA-N
BMGC_DG08661,BMG_DG144197,,N([C@H](C(O)=O)CO)C(CCCCCCC/C=C\CCCCCCCC)=O,,MBDKGXAMSZIDKF-VJIACCKLSA-N
BMGC_DG08662,BMG_DG144198,,N1(C[C@]2([C@@](C1)(CN(C2)c3ccc(nn3)-c4ccccc4)[H])[H])C,,GTMRUYCIJSNXGB-GASCZTMLSA-N
BMGC_DG08663,BMG_DG144206,CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C,C[C@@]12[C@@]3(CC[C@]([H])([C@](C)(CCC=C(C)C)O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@]3([H])[C@H](O)C[C@]2([H])[C@]5(CC[C@H](O)C(C)(C)[C@]5([H])[C@@H](O[C@@]6([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)C1)C)C,"InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1",YURJSTAIMNSZAE-HHNZYBFYSA-N
BMGC_DG08664,BMG_DG144214,COC(=O)C1=C2CN(CCN2C(=N1)C(F)(F)F)C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N,c1c(c(cc(C[C@H](CC(N2Cc3n(c(nc3C(OC)=O)C(F)(F)F)CC2)=O)N)c1F)F)F,"InChI=1S/C19H18F6N4O3/c1-32-17(31)16-14-8-28(2-3-29(14)18(27-16)19(23,24)25)15(30)6-10(26)4-9-5-12(21)13(22)7-11(9)20/h5,7,10H,2-4,6,8,26H2,1H3/t10-/m1/s1",WIIAMRXFUJLYEF-SNVBAGLBSA-N
BMGC_DG08665,BMG_DG144224,,O=C(O[C@@H]1CC[C@@H](Nc2cc(-n3c4CC(C)(C)CC(=O)c4c(C(F)(F)F)n3)ccc2C(N)=O)CC1)CN.S(C)(O)(=O)=O,,NVGFSTMGRRADRG-IOJSEOPQSA-N
BMGC_DG08666,BMG_DG144225,CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)OC(=O)CN)C(F)(F)F)C,O=C(O[C@@H]1CC[C@@H](Nc2cc(-n3c4CC(C)(C)CC(=O)c4c(C(F)(F)F)n3)ccc2C(N)=O)CC1)CN,"InChI=1S/C25H30F3N5O4/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36)",AVDSOVJPJZVBTC-UHFFFAOYSA-N;AVDSOVJPJZVBTC-CTYIDZIISA-N
BMGC_DG08667,BMG_DG144229,COC1=CC2=C(C=C1)C=C(O2)C3=C(C=C(C=C3)O)OC,O(c1cc(O)ccc1-c2cc3ccc(OC)cc3o2)C,"InChI=1S/C16H14O4/c1-18-12-5-3-10-7-16(20-14(10)9-12)13-6-4-11(17)8-15(13)19-2/h3-9,17H,1-2H3",YCDZKMJZSGRQML-UHFFFAOYSA-N
BMGC_DG08668,BMG_DG144237,,c1(c(cc(cc1Cl)-c2cc(ncc2)N3CCNCC3)Cl)S(=O)(=O)Nc4c(nn(c4C)C)C,,XMBSZPZJLPTFMV-UHFFFAOYSA-N
BMGC_DG08669,BMG_DG144238,C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-],,"InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)/p-1",OTLNPYWUJOZPPA-UHFFFAOYSA-M
BMGC_DG08670,BMG_DG144243,CC1=C(C=CC(=C1Cl)C#N)N[C@@H](C2=NN=C(O2)C3=CC=C(C=C3)C#N)[C@H](C)O,[C@@H]([C@H](C)O)(c1oc(nn1)-c2ccc(cc2)C#N)Nc3c(C)c(Cl)c(cc3)C#N,"InChI=1S/C20H16ClN5O2/c1-11-16(8-7-15(10-23)17(11)21)24-18(12(2)27)20-26-25-19(28-20)14-5-3-13(9-22)4-6-14/h3-8,12,18,24,27H,1-2H3/t12-,18+/m0/s1",XMBUPPIEVAFYHO-KPZWWZAWSA-N
BMGC_DG08671,BMG_DG144244,CC(C)C1=C(C(=C2C(=C1)[C@@H]3C[C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)O)O,C1C[C@]23[C@@]([H])(C[C@H](OC2=O)c4cc(C(C)C)c(O)c(O)c34)C(C)(C)C1,"InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1",XUSYGBPHQBWGAD-PJSUUKDQSA-N
BMGC_DG08672,BMG_DG144245,CC(C)(CC(=O)N1CCCC1)NCC(=O)N2C[C@H](C[C@H]2C#N)F,N1(C[C@H](C[C@H]1C#N)F)C(=O)CNC(CC(N2CCCC2)=O)(C)C,"InChI=1S/C16H25FN4O2/c1-16(2,8-14(22)20-5-3-4-6-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/m0/s1",VQKSCYBKUIDZEI-STQMWFEESA-N
BMGC_DG08673,BMG_DG144257,C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3(C([C@]2(C)CO)CC[C@@]4(C3C=C[C@@]56[C@]4(C[C@@H]([C@@]7([C@H]5CC(CC7)(C)C)CO6)O)C)C)C)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O,,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23?,24?,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",KYWSCMDFVARMPN-CGVHUNJDSA-N
BMGC_DG08674,BMG_DG144266,,Clc1c2c(cc(Nc3nc(O[C@@H](CN(C)C)C)c(C#N)nc3)nc2)ccc1,,SRBJWIBAMIKCMV-GFCCVEGCSA-N
BMGC_DG08675,BMG_DG144267,C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4O)C)O)O)CO,O[C@@]12[C@@]3(C(=O)[C@@](C=C([C@H]1O)CO)([C@]4([C@@](C[C@H]3C)(C4(C)C)[H])[H])[H])C=C([C@@H]2O)C,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1",VEBVPUXQAPLADL-POYOOMFHSA-N
BMGC_DG08676,BMG_DG144268,C[C@@]1(CC[C@H]2C(=CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)C1)C=C,C(O)(=O)[C@@]1(CCC[C@]2(C)[C@@]3(C(=CC[C@]21[H])C[C@](C=C)(C)CC3)[H])C,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1",MXYATHGRPJZBNA-KRFUXDQASA-N
BMGC_DG08677,BMG_DG144273,CN1CCN(C=N1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CO)F,OC[C@H]1CN(C(O1)=O)c2ccc(c(c2)F)N3C=NN(CC3)C,"InChI=1S/C14H17FN4O3/c1-17-4-5-18(9-16-17)13-3-2-10(6-12(13)15)19-7-11(8-20)22-14(19)21/h2-3,6,9,11,20H,4-5,7-8H2,1H3/t11-/m1/s1",QLUWQAFDTNAYPN-LLVKDONJSA-N
BMGC_DG08678,BMG_DG144274,CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3,N1(CC(C1)(CC#N)n2ncc(c2)-c3c4c(ncn3)[nH]cc4)S(=O)(=O)CC,"InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)",XUZMWHLSFXCVMG-UHFFFAOYSA-N
BMGC_DG08679,BMG_DG144276,CC(C)[C@@H](C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CC3CCCCC3,n1(nc(c2ccccc12)C(=O)N[C@H](C(=O)N)C(C)C)CC3CCCCC3,"InChI=1S/C20H28N4O2/c1-13(2)17(19(21)25)22-20(26)18-15-10-6-7-11-16(15)24(23-18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H2,21,25)(H,22,26)/t17-/m0/s1",KJNZIEGLNLCWTQ-KRWDZBQOSA-N
BMGC_DG08680,BMG_DG144279,C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)O)O,[C@@]12([C@]3([C@@]([C@]4([C@](C(=O)C(=C4)C)(O)CC(=C3)CO)[H])([C@H](C)[C@H]([C@@]1(O)C2(C)C)O)O)[H])[H],"InChI=1S/C20H28O6/c1-9-5-13-18(24,15(9)22)7-11(8-21)6-12-14-17(3,4)20(14,26)16(23)10(2)19(12,13)25/h5-6,10,12-14,16,21,23-26H,7-8H2,1-4H3/t10-,12+,13-,14-,16-,18-,19-,20-/m1/s1",QGVLYPPODPLXMB-UBTYZVCOSA-N
BMGC_DG08681,BMG_DG144289,,c1ccc2c(c1)[nH]c3c2CCN4[C@@]3(N(c5c(C4=O)cccc5)C)[H],,TXDUTHBFYKGSAH-SFHVURJKSA-N
BMGC_DG08682,BMG_DG144292,C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O,[C@]123[C@]([C@]4([C@@]([C@@](CCC4)(C(O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)=O)C)(CC1)[H])C)(CC[C@@](C2)(O[C@@]6(O[C@H](CO)[C@@H](O)[C@@H]([C@H]6O[C@]7([C@@H]([C@H]([C@@H]([C@@H](CO)O7)O)O)O)[H])O)[H])C(C3)=C)[H],"InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1",UEDUENGHJMELGK-HYDKPPNVSA-N
BMGC_DG08683,BMG_DG144299,CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,c1(c(c2ccc(nc2n(c1)CC)C)=O)C(=O)O,"InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)",MHWLWQUZZRMNGJ-UHFFFAOYSA-N
BMGC_DG08684,BMG_DG144304,CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC,,"InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1",HSIBGVUMFOSJPD-NXWOVTFFSA-N
BMGC_DG08685,BMG_DG144307,,C[C@@]12CCO[C@]1([H])N(C)c3ccc(OC(=O)NC)cc32,,LXTKNVLLWOLCOV-JSGCOSHPSA-N
BMGC_DG08686,BMG_DG144312,CC(=CC(=O)O[C@H]1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C)C,C(C=C(C)C)(=O)O[C@H]1Cc2c(cc3c(ccc(o3)=O)c2)OC1(C)C,"InChI=1S/C19H20O5/c1-11(2)7-18(21)23-16-9-13-8-12-5-6-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/t16-/m0/s1",CUKSFECWKQBVED-INIZCTEOSA-N
BMGC_DG08687,BMG_DG144313,CC1([C@H](CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C,O1c2c(cc3c(c2)oc(=O)cc3)C[C@@H](C1(C)C)O,"InChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3/t12-/m0/s1",BGXFQDFSVDZUIW-LBPRGKRZSA-N
BMGC_DG08688,BMG_DG144339,C1CC(CCC1COCC(=O)O)COC(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,N(C(OC[C@H]1CC[C@@H](CC1)COCC(O)=O)=O)(c2ccc(cc2)Cl)c3ccccc3,"InChI=1S/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)",NPDKXVKJRHPDQT-UHFFFAOYSA-N;NPDKXVKJRHPDQT-IYARVYRRSA-N
BMGC_DG08689,BMG_DG144340,CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC,N12[C@](c3cc(OC)c(cc3CC1)OC)(C[C@@H]([C@H](C2)CC)C[C@@]4(c5cc(OC)c(cc5CCN4)O)[H])[H],"InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1",DTGZHCFJNDAHEN-OZEXIGSWSA-N
BMGC_DG08690,BMG_DG144341,,CC(=O)Oc1ccccc1C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],,KDHWEMULLOVCEH-UHFFFAOYSA-N
BMGC_DG08691,BMG_DG144343,,C[C@]12CCCC(C)(C)[C@]1([H])CC=C3COC(=O)[C@@]32[H],,BQNSBENKJCLJGN-ZOWXZIJZSA-N
BMGC_DG08692,BMG_DG144358,,s1nc(c2ccc(cc12)Oc3c(cccc3)N)N,,HQCTTYOADNAJJR-UHFFFAOYSA-N
BMGC_DG08693,BMG_DG144359,,C([C@@H](NS(=O)(=O)c1ccc2c(oc3c2cc(cc3)N4C(OCC4)=O)c1)C(C)C)(=O)O,,FWPVXLYOKAOERT-SFHVURJKSA-N
BMGC_DG08694,BMG_DG144360,CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC,S1[C@](N(N=C1c2c(ccc(c2)F)F)C(=O)N(C)OC)(c3ccccc3)CCCN,"InChI=1S/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3/t20-/m0/s1",LLXISKGBWFTGEI-FQEVSTJZSA-N
BMGC_DG08695,BMG_DG144361,,,,
BMGC_DG08696,BMG_DG144383,,,,
BMGC_DG08697,BMG_DG144391,,[C@]123[C@]4([C@@]([C@H]5C(=O)O[C@@H]([C@@]4([H])OC1=O)[C@H]5C(O)(C)C)(O)C[C@H]2O3)C,,RYEFFICCPKWYML-QCGISDTRSA-N
BMGC_DG08698,BMG_DG144433,C1=CC(=NC(=C1)NCC(=O)O)CN(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CN=CC=C4,N(Cc1ccc(-n2nccc2)cc1)(S(c3cnccc3)(=O)=O)Cc4cccc(NCC(=O)O)n4,"InChI=1S/C23H22N6O4S/c30-23(31)15-25-22-6-1-4-19(27-22)17-28(34(32,33)21-5-2-11-24-14-21)16-18-7-9-20(10-8-18)29-13-3-12-26-29/h1-14H,15-17H2,(H,25,27)(H,30,31)",YHGSTSNEOJUIRN-UHFFFAOYSA-N
BMGC_DG08699,BMG_DG144434,COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)C3=CN=C(NC3=O)C4=NN=CC=C4,COc1ccc(C(NC(c2cnc(-c3nnccc3)[nH]c2=O)=O)c4ccc(OC)cc4)cc1,"InChI=1S/C24H21N5O4/c1-32-17-9-5-15(6-10-17)21(16-7-11-18(33-2)12-8-16)27-23(30)19-14-25-22(28-24(19)31)20-4-3-13-26-29-20/h3-14,21H,1-2H3,(H,27,30)(H,25,28,31)",WXLPERVDMILVIF-UHFFFAOYSA-N
BMGC_DG08700,BMG_DG144435,CC(C)OC(=O)CNC1=CC=CC(=N1)CN(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CN=CC=C4,N(Cc1ccc(-n2nccc2)cc1)(S(c3cnccc3)(=O)=O)Cc4cccc(NCC(=O)OC(C)C)n4,"InChI=1S/C26H28N6O4S/c1-20(2)36-26(33)17-28-25-8-3-6-22(30-25)19-31(37(34,35)24-7-4-13-27-16-24)18-21-9-11-23(12-10-21)32-15-5-14-29-32/h3-16,20H,17-19H2,1-2H3,(H,28,30)",VIQCWEGEHRBLAC-UHFFFAOYSA-N
BMGC_DG08701,BMG_DG144444,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](C[C@H](C[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H](CC4CCCCC4)C(=O)O)OC(=O)C5=CC=CC=C5)C(=O)NCCNC(=O)COCCOCC(=O)NC6=C7C(=CC(=C6)S(=O)(=O)O)C=C(C=C7S(=O)(=O)O)S(=O)(=O)O)NC(=O)C8=CC(=O)NC(=O)N8)O)O)O,c1(cc(cc2cc(cc(c12)NC(COCCOCC(NCCNC(=O)[C@H]3C[C@H]([C@@H]([C@H](C3)NC(=O)c4[nH]c([nH]c(c4)=O)=O)O[C@]5([C@@H](O)[C@H](O)[C@H](O)[C@@H](O5)C)[H])O[C@]6([C@H](OC(c7ccccc7)=O)[C@@H](O[C@@H](CC8CCCCC8)C(=O)O)[C@@H](O)[C@H](O6)CO)[H])=O)=O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1S/C58H74N6O31S3/c1-27-45(69)47(71)48(72)56(90-27)95-49-35(62-53(74)36-23-41(66)64-58(78)63-36)19-31(20-37(49)92-57-51(94-55(77)29-10-6-3-7-11-29)50(46(70)39(24-65)93-57)91-38(54(75)76)16-28-8-4-2-5-9-28)52(73)60-13-12-59-42(67)25-88-14-15-89-26-43(68)61-34-21-32(96(79,80)81)17-30-18-33(97(82,83)84)22-40(44(30)34)98(85,86)87/h3,6-7,10-11,17-18,21-23,27-28,31,35,37-39,45-51,56-57,65,69-72H,2,4-5,8-9,12-16,19-20,24-26H2,1H3,(H,59,67)(H,60,73)(H,61,68)(H,62,74)(H,75,76)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H2,63,64,66,78)/t27-,31+,35-,37+,38-,39+,45+,46-,47+,48-,49+,50-,51+,56-,57+/m0/s1",VXBNTHRZPJLRSS-PTCSXESPSA-N
BMGC_DG08702,BMG_DG144447,,C(C(O[C@H]1CN2CCC1CC2)=O)(c3sccc3)(c4sccc4)O,,GYDFTKNRHZMENP-ZDUSSCGKSA-N
BMGC_DG08703,BMG_DG144455,CC1=CC[C@H](CC1)[C@](C)(CCC=C(C)C)O,[C@]1([C@](CCC=C(C)C)(O)C)(CC=C(CC1)C)[H],"InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1",RGZSQWQPBWRIAQ-CABCVRRESA-N
BMGC_DG08704,BMG_DG144459,,[nH]1c(=O)n(cc(c1=O)I)[C@@H]2O[C@H](COP(O)(=O)O)[C@@H](OC(=O)CCC(O[C@@H]3[C@@]4([C@@]([C@]5([C@]([C@@]6([C@@](CC5)(CC(CC6)=O)[H])C)([H])CC4)[H])([H])CC3)C)=O)C2,,QYYKQPBRFARZNN-MZKWEORMSA-N
BMGC_DG08705,BMG_DG144469,,,,
BMGC_DG08706,BMG_DG144580,,,,
BMGC_DG08707,BMG_DG144587,COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O,[C@@H]1([C@]2([C@@](C(=CO1)C(=O)OC)(CC=C2CO)[H])[H])O,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",AZKVWQKMDGGDSV-BCMRRPTOSA-N
BMGC_DG08708,BMG_DG144590,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O,[C@@H]1([C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)Oc2cc3O[C@H](c4ccc(cc4)O)CC(c3c(c2)O)=O)O[C@]5([C@@H]([C@H](O)[C@H]([C@@H](O5)C)O)O)[H],"InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",DFPMSGMNTNDNHN-ZPHOTFPESA-N
BMGC_DG08709,BMG_DG144592,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O,O=C1C[C@@H](c2ccc(O)cc2)Oc3cc(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)O4)cc(O)c31,"InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1",HXTFHSYLYXVTHC-AJHDJQPGSA-N
BMGC_DG08710,BMG_DG144600,,[C@]1([C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)(O[C@@H]2[C@H]([C@@H]([C@@H](CO)O[C@H]2Oc3cc(O)c4C(=O)C[C@@H](c5ccc(OC)cc5)Oc4c3)O)O)[H],,NLAWPKPYBMEWIR-SKYQDXIQSA-N
BMGC_DG08711,BMG_DG144609,CC1=CC(=NN1C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4,Cc1cc(OCCN2CCOCC2)nn1-c3ccc4ccccc4c3,"InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3",DGPGXHRHNRYVDH-UHFFFAOYSA-N
BMGC_DG08712,BMG_DG144610,,c1(c(cc(cn1Cc2c(ccc(c2)Cl)S(=O)(=O)C)Cl)C(=O)N)=N,,CVBJUEIAUOTXLV-UHFFFAOYSA-N
BMGC_DG08713,BMG_DG144614,C[C@@H]1CCC2=C(C1)OC=C2C,C[C@@H]1CCc2c(coc2C1)C,"InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1",YGWKXXYGDYYFJU-SSDOTTSWSA-N
BMGC_DG08714,BMG_DG144615,,[C@@H](C)(C=1c2c(CC1CCN(C)C)cccc2)c3cnccn3,,AYEYSXMZCARQKR-AWEZNQCLSA-N
BMGC_DG08715,BMG_DG144627,,c1c(C#N)cccc1N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O,,ZULQKQGLUORZDC-UHFFFAOYSA-N
BMGC_DG08716,BMG_DG144628,CC1=CC2=C(O1)C=CC(=C2)NC(=N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N,,"InChI=1S/C23H28N6O3/c1-16-12-17-13-18(7-8-20(17)32-16)26-23(25-15-24)27-19-6-2-3-11-29(22(19)31)14-21(30)28-9-4-5-10-28/h7-8,12-13,19H,2-6,9-11,14H2,1H3,(H2,25,26,27)/t19-/m0/s1",BQUXAJWDRCSKFN-IBGZPJMESA-N
BMGC_DG08717,BMG_DG144645,C1C2=CC(=C(C=C2[C@H]3[C@@]1(COC4=C3C=CC(=C4O)O)O)O)O,c12[C@]3([C@@](Cc1cc(c(c2)O)O)(COc4c3ccc(c4O)O)O)[H],"InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/m0/s1",WZUVPPKBWHMQCE-XJKSGUPXSA-N
BMGC_DG08718,BMG_DG144649,C[C@]1(CCSC(=N1)N)C2=C(C=C(C(=C2)C3=CN=CN=C3)F)F,S1C(=N[C@](CC1)(C)c2c(cc(c(c2)-c3cncnc3)F)F)N,"InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1",MJQMRGWYPNIERM-HNNXBMFYSA-N
BMGC_DG08719,BMG_DG144675,,,,
BMGC_DG08720,BMG_DG144715,CC1=C(C=C2C(=C1OC)C(=O)C=C(O2)C3=CC=CC=C3)OC,,"InChI=1S/C18H16O4/c1-11-14(20-2)10-16-17(18(11)21-3)13(19)9-15(22-16)12-7-5-4-6-8-12/h4-10H,1-3H3",LDGCKWYSZUGWHS-UHFFFAOYSA-N
BMGC_DG08721,BMG_DG144727,CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=C4C(=C(C=C3)O)C=CC(O4)(C)C)C,CC(C)=CCc1c(-c2ccc(O)c3c2OC(C)(C)C=C3)oc4cc(O)cc(O)c4c1=O,"InChI=1S/C25H24O6/c1-13(2)5-6-16-22(29)21-19(28)11-14(26)12-20(21)30-23(16)17-7-8-18(27)15-9-10-25(3,4)31-24(15)17/h5,7-12,26-28H,6H2,1-4H3",DBUNRZUFILGKHP-UHFFFAOYSA-N
BMGC_DG08722,BMG_DG144742,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC,c12c3c4c5C(=O)NCc5c1c6ccccc6n2[C@]7(O[C@@](n3c8ccccc48)(C[C@H]([C@H]7OC)NC)[H])C,"InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1",HKSZLNNOFSGOKW-FYTWVXJKSA-N
BMGC_DG08723,BMG_DG144746,,O(c1c(oc2c(c1=O)c(O)cc(O)c2)-c3cc(O)c(O)cc3)[C@H]4[C@H](O[C@H]5[C@H](O)[C@](CO)(O)CO5)[C@@H](O)[C@H](O)[C@@H](CO[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)O4,,UPVDFUGORYNXMW-VCKCKQTPSA-N
BMGC_DG08724,BMG_DG144812,,,,
BMGC_DG08725,BMG_DG144820,C[C@@H]1C[C@H]2[C@@H](C[C@]3([C@H](O2)C[C@H]4[C@H](O3)C(=CC(=O)O4)C)C)O[C@@H]5[C@@H]1O[C@H]6C[C@@H]7[C@](C[C@@H]8[C@@](O7)(C/C=C\[C@@H]9[C@@H](O8)C[C@@H]1[C@@H](O9)C[C@@H]2[C@@](O1)([C@H](C[C@@H](O2)CC(=C)C=O)O)C)C)(O[C@@]6(CC5)C)C,,"InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28+,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1",LYTCVQQGCSNFJU-LKGYBJPKSA-N
BMGC_DG08726,BMG_DG144824,C1CC(=NC1)C2=CN=CC=C2,C1CCC(=N1)c2cccnc2,"InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2",DPNGWXJMIILTBS-UHFFFAOYSA-N
BMGC_DG08727,BMG_DG144828,CS(=O)(=O)C1=CC=C(C=C1)C2=C(N=CC(=C2)Cl)C3=CN=C(C=C3)CO,CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c3ccc(CO)nc3)cc1,"InChI=1S/C18H15ClN2O3S/c1-25(23,24)16-6-3-12(4-7-16)17-8-14(19)10-21-18(17)13-2-5-15(11-22)20-9-13/h2-10,22H,11H2,1H3",SCVWZQQMIZJGJY-UHFFFAOYSA-N
BMGC_DG08728,BMG_DG144829,,CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c3ccc(C(O)=O)nc3)cc1,,QIHJKHCGJLIAGS-UHFFFAOYSA-N
BMGC_DG08729,BMG_DG144830,CC1=[N+](C=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C)[O-],CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c3ccc(C)[n+](c3)[O-])cc1,"InChI=1S/C18H15ClN2O3S/c1-12-3-4-14(11-21(12)22)18-17(9-15(19)10-20-18)13-5-7-16(8-6-13)25(2,23)24/h3-11H,1-2H3",KMLFAHIIJSUUPX-UHFFFAOYSA-N
BMGC_DG08730,BMG_DG144836,C1[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@H]([C@@H](C(=O)O3)CC(=O)O)[C@@H](C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O,,"InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18+,22-,30-,31+,33-,34+,41-/m0/s1",HGJXAVROWQLCTP-YABCKIEDSA-N
BMGC_DG08731,BMG_DG144839,C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O,,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",JCGHAEBIBSEQAD-UUUCSUBKSA-N
BMGC_DG08732,BMG_DG144840,,CC(C)(C)c1ccc(C2=NCCN2)cc1,,JRUYKUSXUFPDNO-UHFFFAOYSA-N
BMGC_DG08733,BMG_DG144847,C1=CC=C(C=C1)CCC2=CC(=CC(=C2)O)O,,"InChI=1S/C14H14O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10,15-16H,6-7H2",LDBYHULIXFIJAZ-UHFFFAOYSA-N
BMGC_DG08734,BMG_DG144848,CC(C)[C@H]1C(=O)N[C@@H](CSSC[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)N)C(=O)N[C@@H](C(C)O)C(=O)N,,"InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30?,38-,40-,41-,42+,43-,44+,45+,46+/m1/s1",PUDHBTGHUJUUFI-IOJUUEKKSA-N
BMGC_DG08735,BMG_DG144854,,O=C1c2cc(C)cc(O)c2C(=O)c3c(c(Cl)c(O)cc31)O,,AVSZOSVPTLSHOV-UHFFFAOYSA-N
BMGC_DG08736,BMG_DG144856,CC[C@]12CCN(C([C@@H]1C)C(=O)C3=C2C=C(C=C3)O)CC4CC4,,"InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1",SEJUQQOPVAUETF-BKBNBNODSA-N
BMGC_DG08737,BMG_DG144862,,O=C1c2c(O)cc(C)cc2C(=O)c3c1c(O)cc(c3)O[C@H]4[C@H](O)[C@](O)(CO4)CO,,AEQMIFRODRFTJF-SLFFLAALSA-N
BMGC_DG08738,BMG_DG144864,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NC[C@H](C4=CC=CC=C4)O,,"InChI=1S/C27H25ClN2O4/c1-17-22(15-26(32)29-16-25(31)18-6-4-3-5-7-18)23-14-21(34-2)12-13-24(23)30(17)27(33)19-8-10-20(28)11-9-19/h3-14,25,31H,15-16H2,1-2H3,(H,29,32)/t25-/m1/s1",AOIQKSHKQIJFMK-RUZDIDTESA-N
BMGC_DG08739,BMG_DG144866,,C12=C(C(c3c(cccc3C1=O)O)=O)[C@@H](O[C@H](C2)CC(O)=O)C,,ZCJHPTKRISJQTN-JGVFFNPUSA-N
BMGC_DG08740,BMG_DG144869,C[C@@H]1CC([C@@]23CC([C@@H]([C@H](O2)[C@@H](C)CC[C@@H](C4=CC(=CC=C4)O)OC)C)OC(=O)C[C@@H](OC(=O)C[C@@]1(O3)O)[C@@H](C)O)(C)C,,"InChI=1S/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18-,19+,20-,21+,24-,25+,26?,29+,31-,32-/m0/s1",REAZZDPREXHWNV-BUNNSNHRSA-N
BMGC_DG08741,BMG_DG144870,C[C@@H](C(=O)NCC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)NCC(=O)O)NC(=O)[C@@H](CC2=CC=C(C=C2)O)N,,"InChI=1S/C26H33N5O7/c1-16(30-25(37)20(27)12-18-8-10-19(32)11-9-18)24(36)28-14-22(33)31(2)21(26(38)29-15-23(34)35)13-17-6-4-3-5-7-17/h3-11,16,20-21,32H,12-15,27H2,1-2H3,(H,28,36)(H,29,38)(H,30,37)(H,34,35)/t16-,20+,21+/m0/s1",RBGJOBQHUDGHJG-ZLGUVYLKSA-N
BMGC_DG08742,BMG_DG144879,,C1=Cc2c(OC1(C)C)ccc3c2OC[C@H](C3)c4c(c(c(cc4)O)CC=C(C)C)O,,HZHXMXSXYQCAIG-KRWDZBQOSA-N
BMGC_DG08743,BMG_DG144882,C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC7=CNC=N7)N)O,,"InChI=1S/C153H225N43O49S/c1-72(2)52-97(133(226)176-96(47-51-246-11)132(225)184-104(60-115(159)209)143(236)196-123(78(10)203)151(244)245)179-137(230)103(58-83-64-167-89-29-19-18-28-87(83)89)183-131(224)95(43-46-114(158)208)177-148(241)120(74(5)6)194-141(234)101(54-79-24-14-12-15-25-79)182-138(231)105(61-117(211)212)185-130(223)94(42-45-113(157)207)171-124(217)75(7)170-127(220)91(31-22-49-165-152(160)161)172-128(221)92(32-23-50-166-153(162)163)174-146(239)110(69-199)191-140(233)107(63-119(215)216)186-134(227)98(53-73(3)4)178-135(228)99(56-81-33-37-85(204)38-34-81)180-129(222)90(30-20-21-48-154)173-145(238)109(68-198)190-136(229)100(57-82-35-39-86(205)40-36-82)181-139(232)106(62-118(213)214)187-147(240)111(70-200)192-150(243)122(77(9)202)195-142(235)102(55-80-26-16-13-17-27-80)188-149(242)121(76(8)201)193-116(210)66-168-126(219)93(41-44-112(156)206)175-144(237)108(67-197)189-125(218)88(155)59-84-65-164-71-169-84/h12-19,24-29,33-40,64-65,71-78,88,90-111,120-123,167,197-205H,20-23,30-32,41-63,66-70,154-155H2,1-11H3,(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H,164,169)(H,168,219)(H,170,220)(H,171,217)(H,172,221)(H,173,238)(H,174,239)(H,175,237)(H,176,226)(H,177,241)(H,178,228)(H,179,230)(H,180,222)(H,181,232)(H,182,231)(H,183,224)(H,184,225)(H,185,223)(H,186,227)(H,187,240)(H,188,242)(H,189,218)(H,190,229)(H,191,233)(H,192,243)(H,193,210)(H,194,234)(H,195,235)(H,196,236)(H,211,212)(H,213,214)(H,215,216)(H,244,245)(H4,160,161,165)(H4,162,163,166)/t75-,76+,77+,78+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-/m0/s1",MASNOZXLGMXCHN-ZLPAWPGGSA-N
BMGC_DG08744,BMG_DG144888,CCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O,COc1c(O)ccc(c1)CCC(C[C@@H](O)CCCCC)=O,"InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1",NLDDIKRKFXEWBK-AWEZNQCLSA-N
BMGC_DG08745,BMG_DG144896,COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,c1c(c(c2c(o1)cc(cc2)O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@H](O3)CO)=O)-c4ccc(cc4)OC,"InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",MGJLSBDCWOSMHL-MIUGBVLSSA-N
BMGC_DG08746,BMG_DG144901,,c1cc(cc[n+]1[O-])C[C@H](c2ccccc2)c3cc(c(cc3)OC)OC4CCCC4,,UIMCCHYTYRVHOV-HSZRJFAPSA-N
BMGC_DG08747,BMG_DG144904,COC1=CC(=CC(=C1OC)OC)C[C@@H]2[C@H](COC2=O)CC3=CC4=C(C=C3)OCO4,,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",GMLDZDDTZKXJLU-JKSUJKDBSA-N
BMGC_DG08748,BMG_DG144908,,O=C1C2(N=C(CCC)N1Cc3ccc(cc3)-c4c(cccc4)-c5[nH]nnn5)CCCC2,,MBFZWKSLOSAXDG-UHFFFAOYSA-N
BMGC_DG08749,BMG_DG144909,,C(CCN1c2ccccc2Sc3c(cccc13)Cl)N(C)C,,QTSPTUFOFSQPBD-UHFFFAOYSA-N
BMGC_DG08750,BMG_DG144917,C1[C@@H]([C@H](C(=O)O1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5,,"InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1",DDWGQGZPYDSYEL-LSDHHAIUSA-N
BMGC_DG08751,BMG_DG144920,C[C@H](C(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@H](CCSC)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@@H]7CCCN7C(=O)CNC(=O)[C@H](CCC(=O)O)N,,"InChI=1S/C97H126N20O32S/c1-49(2)39-68(114-95(147)71(43-54-46-101-60-18-11-9-16-57(54)60)116-97(149)73-19-12-37-117(73)75(120)48-103-85(137)58(98)24-30-76(121)122)93(145)110-65(29-35-81(131)132)91(143)109-64(28-34-80(129)130)90(142)108-63(27-33-79(127)128)89(141)107-62(26-32-78(125)126)88(140)106-61(25-31-77(123)124)87(139)104-50(3)84(136)113-69(41-52-20-22-55(118)23-21-52)86(138)102-47-74(119)105-70(42-53-45-100-59-17-10-8-15-56(53)59)94(146)111-66(36-38-150-4)92(144)115-72(44-82(133)134)96(148)112-67(83(99)135)40-51-13-6-5-7-14-51/h5-11,13-18,20-23,45-46,49-50,58,61-73,100-101,118H,12,19,24-44,47-48,98H2,1-4H3,(H2,99,135)(H,102,138)(H,103,137)(H,104,139)(H,105,119)(H,106,140)(H,107,141)(H,108,142)(H,109,143)(H,110,145)(H,111,146)(H,112,148)(H,113,136)(H,114,147)(H,115,144)(H,116,149)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)/t50-,58+,61-,62-,63-,64+,65+,66-,67-,68+,69-,70-,71+,72-,73+/m1/s1",AOXOCDRNSPFDPE-UKEONUMOSA-N
BMGC_DG08752,BMG_DG144923,,C1CN2Cc3ccccc3N=C2C1,,WUFQLZTXIWKION-UHFFFAOYSA-N
BMGC_DG08753,BMG_DG144926,CC(C)CC(=O)C1=C(C(=C([C@@](C1=O)(CC=C(C)C)O)O)CC=C(C)C)O,,"InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3/t21-/m1/s1",VMSLCPKYRPDHLN-OAQYLSRUSA-N
BMGC_DG08754,BMG_DG144927,C[C@H]([C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O)N)CCCCN)NC(=O)CNC(=O)[C@H](C)N)C(=O)O)CO)[C@@H](C)O)CC6=CC=CC=C6)O,,"InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50+,51-,52+,53-,54-,55+,56-,57-,58+,59-,62+,63+/m0/s1",NHXLMOGPVYXJNR-FMGBKAQLSA-N
BMGC_DG08755,BMG_DG144942,,c1(c(ccc(c1)[C@H]([C@@]2(NCCCC2)[H])C(OC)=O)Cl)Cl,,JUKMAYKVHWKRKY-CHWSQXEVSA-N
BMGC_DG08756,BMG_DG144945,C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1,[C@]12(C(=C3[C@]([C@@]4(CC=C5[C@@]([C@]4(C3)[H])(CC[C@@H](C5)O)C)[H])(CC1)[H])C)[C@@H]([C@@]6(NC[C@H](C[C@]6(O2)[H])C)[H])C,"InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1",QASFUMOKHFSJGL-LAFRSMQTSA-N
BMGC_DG08757,BMG_DG144952,,C[C@@H]([C@]1(CC[C@]2([C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@@]21C)N(C)C)[H])[H])N(C)C,,YTNIUPZRMQLHNV-XSIUSZODSA-N
BMGC_DG08758,BMG_DG144962,C[C@@]12[C@@H]([C@@H](CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC,,"InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1",HKSZLNNOFSGOKW-ZGQXJOJZSA-N
BMGC_DG08759,BMG_DG144968,,C1=2[C@](CCN3C[C@H]([C@H](C[C@]31[H])/C(/C(=O)OC)=C\OC)CC)(c4c(cccc4N2)OC)O,,RYENLSMHLCNXJT-CYXFISRXSA-N
BMGC_DG08760,BMG_DG144969,,[C@]12(C(c3c(OC)cccc3N1)=O)[C@]4(N(C[C@H]([C@@H](/C(/C(=O)OC)=C\OC)C4)CC)CC2)[H],,BAEJBRCYKACTAA-WGUOAFTMSA-N
BMGC_DG08761,BMG_DG144972,,O(c1c(O)c(OC)cc([C@H]2OC[C@]3([H])[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@@]32[H])c1)C,,KOWMJRJXZMEZLD-HCIHMXRSSA-N
BMGC_DG08762,BMG_DG144993,,Oc1c2[C@]3([C@](C(C)(C)Oc2cc(CCCCCCC)c1)(CC=C(C)C3)[H])[H],,RGXKCMQANRHRCO-RTBURBONSA-N
BMGC_DG08763,BMG_DG144995,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,,"InChI=1S/C25H32O9/c1-25-8-7-12-13(15(25)5-6-18(25)26)4-3-11-9-17(16(32-2)10-14(11)12)33-24-21(29)19(27)20(28)22(34-24)23(30)31/h9-10,12-13,15,19-22,24,27-29H,3-8H2,1-2H3,(H,30,31)/t12-,13+,15-,19-,20-,21+,22-,24+,25-/m0/s1",NZTHZDNDYACBSX-FJNWEKAQSA-N
BMGC_DG08764,BMG_DG144996,C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)C(CC4)=O)[H])(CC[C@@]1(C[C@@H](CC2)O[C@@]5(O[C@H](C(O)=O)[C@H]([C@@H]([C@H]5O)O)O)[H])[H])[H])[H],"InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13-,14+,15+,16+,18+,19+,20-,21+,23-,24+,25+/m1/s1",VFUIRAVTUVCQTF-SDHZCXLISA-N
BMGC_DG08765,BMG_DG144998,,,,
BMGC_DG08766,BMG_DG145001,COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O,N1(CCN(CC1)CCCCN2C(c3c(C2=O)cccc3)=O)c4ccccc4OC,"InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3",SJDOMIRMMUGQQK-UHFFFAOYSA-N
BMGC_DG08767,BMG_DG145003,C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.[Cl-],,"InChI=1S/C14H13N3.C13H11N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;1H",PEJLNXHANOHNSU-UHFFFAOYSA-N
BMGC_DG08768,BMG_DG145007,CCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,,"InChI=1S/C18H33N3O6S/c1-2-3-4-5-6-7-10-28-12-14(17(25)20-11-16(23)24)21-15(22)9-8-13(19)18(26)27/h13-14H,2-12,19H2,1H3,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t13-,14-/m0/s1",MJWCZWAVSJZQNL-KBPBESRZSA-N
BMGC_DG08769,BMG_DG145009,CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C,,"InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1",FMYKJLXRRQTBOR-BZSNNMDCSA-N
BMGC_DG08770,BMG_DG145010,CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C=O)NC(=O)[C@H](C2CCN=C(N2)N)NC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O,,"InChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23?,24-,25-,26-/m0/s1",MRXDGVXSWIXTQL-HYHFHBMOSA-N
BMGC_DG08771,BMG_DG145013,COC(CNC(=O)C1=CC=CC=C1OCC(=O)O)C[Hg].O,,"InChI=1S/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16;;/h3-6,9H,1,7-8H2,2H3,(H,14,17)(H,15,16);;1H2",GCUOGPZRDRUOAP-UHFFFAOYSA-N
BMGC_DG08772,BMG_DG145020,C1[C@H](SC[C@@H](C(=O)N1CC(=O)O)N[C@@H](CCC2=CC=CC=C2)C(=O)O)C3=CC=CS3,s1cccc1[C@H]2SC[C@H](N[C@H](C(=O)O)CCc3ccccc3)C(N(C2)CC(O)=O)=O,"InChI=1S/C21H24N2O5S2/c24-19(25)12-23-11-18(17-7-4-10-29-17)30-13-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-16,18,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16-,18-/m0/s1",KZVWEOXAPZXAFB-BQFCYCMXSA-N
BMGC_DG08773,BMG_DG145048,,[Na+].[C@H]1([C@@H]([C@@H]2O[C@H]1CC2)C(=O)[O-])C(=O)[O-].[Na+],,XRHVZWWRFMCBAZ-PXYBLNDHSA-L
BMGC_DG08774,BMG_DG145059,C[C@](CO)([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)O,O[C@H]1[C@@H](O[C@H](COP(OP(OC[C@H]([C@@](CO)(C)O)O)(=O)O)(O)=O)[C@H]1O)n2c(=O)nc(N)cc2,"InChI=1S/C14H25N3O14P2/c1-14(23,6-18)8(19)5-29-33(26,27)31-32(24,25)28-4-7-10(20)11(21)12(30-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21,23H,4-6H2,1H3,(H,24,25)(H,26,27)(H2,15,16,22)/t7-,8-,10-,11-,12-,14+/m1/s1",YFAUKWZNPVBCFF-XHIBXCGHSA-N
BMGC_DG08775,BMG_DG145061,C[C@](CO)([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O,,"InChI=1S/C14H26N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H2,15,16,22)(H2,23,24,25)/t7-,8-,10-,11-,12-,14+/m1/s1",HTJXTKBIUVFUAR-XHIBXCGHSA-N
BMGC_DG08776,BMG_DG145062,CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O,CC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O,"InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1",AJPADPZSRRUGHI-RFZPGFLSSA-N
BMGC_DG08777,BMG_DG145064,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,O=c1n([C@@H]2O[C@H](COP(OP(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)(=O)O)(=O)O)[C@@H](O)C2)cc(C)c(=O)[nH]1,"InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15+/m0/s1",YSYKRGRSMLTJNL-URARBOGNSA-N
BMGC_DG08778,BMG_DG145066,C[C@H](CCC=C(C)C)[C@H]1CC=C2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C,,"InChI=1S/C29H46O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,13,20,22,25-26,30H,8,10-12,14-18H2,1-7H3/t20-,22-,25+,26+,28-,29-/m1/s1",LFQXEZVYNCBVDO-PBJLWWPKSA-N
BMGC_DG08779,BMG_DG145068,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)C,,"InChI=1S/C21H34O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H,23,24,25)/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1",MENQCIVHHONJLU-YZRLXODZSA-N
BMGC_DG08780,BMG_DG145077,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C=O)O)O)N,,"InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h1-4,6-7,10,17-18H,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",CWNMDMYGRVHXDR-KQYNXXCUSA-N
BMGC_DG08781,BMG_DG145082,,S(c1ccc([C@@]2([C@](C(=O)OC2)(c3ccccc3)[H])[H])cc1)(=O)(=O)C,,PHCFUFKRCHEUTJ-HZPDHXFCSA-N
BMGC_DG08782,BMG_DG145083,,S(c1ccc([C@H]([C@H](C(=O)O)c2ccccc2)CO)cc1)(=O)(=O)C,,BBBDYOCLJIKLKC-HZPDHXFCSA-N
BMGC_DG08783,BMG_DG145084,,N[C@H](C(O)=O)[C@H](O)C(O)=O,,YYLQUHNPNCGKJQ-LWMBPPNESA-N
BMGC_DG08784,BMG_DG145091,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,,"InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m1/s1",MRVYFOANPDTYBY-YORTWTKJSA-N
BMGC_DG08785,BMG_DG145092,C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)OC,,"InChI=1S/C19H22FN3O4/c1-11-10-27-18-15-12(17(24)13(9-23(11)15)19(25)26-3)8-14(20)16(18)22-6-4-21(2)5-7-22/h8-9,11H,4-7,10H2,1-3H3/t11-/m0/s1",HSVIINWFPKEOEQ-NSHDSACASA-N
BMGC_DG08786,BMG_DG145095,,[C@H]1([C@@H](NCCC1)c2ccccc2)NCc3c(ccc(c3)OC(F)(F)F)O,,IZRHKURJIQCXMT-WMZOPIPTSA-N
BMGC_DG08787,BMG_DG145101,CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43,C1([C@H](NC([C@@H](NC([C@H](NC([C@H]2N(CCC2)C([C@H](N1)CC(=O)O)=O)=O)C(C)C)=O)CC(C)C)=O)Cc3c[nH]c4ccccc34)=O,"InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1",VYCMAAOURFJIHD-PJNXIOHISA-N
BMGC_DG08788,BMG_DG145103,,CNc1sc2c(n1)c(c(c(c2C)O)C)Cc3cccnc3,,IONAQTGMWFXHIX-UHFFFAOYSA-N
BMGC_DG08789,BMG_DG145105,CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CCSC)NC=O,C([C@H](Cc1ccccc1)NC([C@H](CC(C)C)NC(=O)[C@@H](NC=O)CCSC)=O)(=O)O,"InChI=1S/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(22-13-25)9-10-30-3)20(27)24-18(21(28)29)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1",PRQROPMIIGLWRP-BZSNNMDCSA-N
BMGC_DG08790,BMG_DG145115,,Oc1c2[C@H]([C@@](c3c4[C@@](c2cc(O)c1)([C@@H](Oc4cc(O)c3)c5ccc(O)cc5)[H])([C@]6([C@@H](c7c([C@@]8(c9c6cc(O)cc9O[C@H]8c%10ccc(O)cc%10)[H])cc(O)cc7O)c%11ccc(O)cc%11)[H])[H])c%12ccc(O)cc%12,,YQQUILZPDYJDQJ-KGDQSQJYSA-N
BMGC_DG08791,BMG_DG145123,CSCC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N,[C@H](Cc1ccccc1)(C(N[C@@H](CCSC)C(O)=O)=O)NC(CNC(CNC([C@H](Cc2ccc(O)cc2)N)=O)=O)=O,"InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1",YFGBQHOOROIVKG-FKBYEOEOSA-N
BMGC_DG08792,BMG_DG145129,,c1c(c(O)ccc1[C@H](CNC(C)C)O)O,,JWZZKOKVBUJMES-NSHDSACASA-N
BMGC_DG08793,BMG_DG145130,CN1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)C3=CC4=CC=CC=C4N3)C5=CC=CC=C5,N=1[C@@H](C(N(C)c2c(C1c3ccccc3)cccc2)=O)NC(c4[nH]c5ccccc5c4)=O,"InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1",NFHRQQKPEBFUJK-HSZRJFAPSA-N
BMGC_DG08794,BMG_DG145132,,Clc1cc(c(nc1)-c2cccnc2)-c3ccc(S(C)(=O)=O)cc3,,CUVUXNULRBGYON-UHFFFAOYSA-N
BMGC_DG08795,BMG_DG145134,COCCOC[C@H](CC1(CCCC1)C(=O)NC2CCC(CC2)C(=O)O)C(=O)O,[C@H](CC1(C(=O)N[C@H]2CC[C@@H](C(O)=O)CC2)CCCC1)(COCCOC)C(O)=O,"InChI=1S/C20H33NO7/c1-27-10-11-28-13-15(18(24)25)12-20(8-2-3-9-20)19(26)21-16-6-4-14(5-7-16)17(22)23/h14-16H,2-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t14?,15-,16?/m0/s1",ACZWIDANLCXHBM-HRCADAONSA-N;ACZWIDANLCXHBM-PCKAHOCUSA-N
BMGC_DG08796,BMG_DG145138,CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)[C@H](C)Cl,[C@]1(O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)OP(=O)(O)O)([C@](NC([C@H]2N(C[C@@H](C2)CCC)C)=O)([C@@H](Cl)C)[H])[H],"InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9-,10+,11-,12+,13+,14-,15+,16+,18+/m0/s1",UFUVLHLTWXBHGZ-MGZQPHGTSA-N
BMGC_DG08797,BMG_DG145139,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N3C(=O)[C@H](NC3(C)C)C4=CC=CC=C4)C(=O)O)C,N1([C@H]2[C@]3(SC(C)(C)[C@@H](N3C2=O)C(=O)O)[H])C([C@@H](c4ccccc4)NC1(C)C)=O,"InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11-,12-,13+,16-/m1/s1",DXVUYOAEDJXBPY-NFFDBFGFSA-N
BMGC_DG08798,BMG_DG145140,,,,
BMGC_DG08799,BMG_DG145141,,c12cc(c(cc1N(CC2)C(=O)Nc3cc(cc(c3)-c4cnccc4)F)C(F)(F)F)OC,,RRJLJKRFFRZRAF-UHFFFAOYSA-N
BMGC_DG08800,BMG_DG145142,,C(Nc1ccc(nc1)Oc2c(C)nccc2)(=O)N3c4c(CC3)cc(c(c4)C(F)(F)F)C,,ZETBBVYSBABLHL-UHFFFAOYSA-N
BMGC_DG08801,BMG_DG145149,C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CCC4=CC=CC=C4)C)C=C(C=C3)O,C(N1CC[C@]2(c3c(ccc(O)c3)C[C@@H]1[C@@H]2C)C)Cc4ccccc4,"InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22+/m0/s1",ZQHYKVKNPWDQSL-KNXBSLHKSA-N
BMGC_DG08802,BMG_DG145152,CC(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O,Oc1ccc2c3c1O[C@H]4[C@@]5(OC)CC[C@@]6(C[C@@H]5C(C)(C)O)[C@@H](C2)N(CC[C@@]436)CC7CC7,"InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1",OIJXLIIMXHRJJH-KNLIIKEYSA-N
BMGC_DG08803,BMG_DG145156,,O=C(OC(C)C)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc2ccccc2)CC(=O)N3CCC(NC)CC3,,QGEPSKOURWVCMJ-BTURHGITSA-N
BMGC_DG08804,BMG_DG145158,C1=CC=C(C=C1)CCC(C(=O)O)N[C@@H](CC2=CC=CC=C2)C(=O)NC[C@@H](C(=O)O)O,,"InChI=1S/C22H26N2O6/c25-19(22(29)30)14-23-20(26)18(13-16-9-5-2-6-10-16)24-17(21(27)28)12-11-15-7-3-1-4-8-15/h1-10,17-19,24-25H,11-14H2,(H,23,26)(H,27,28)(H,29,30)/t17?,18-,19-/m0/s1",QAQRHURCJWHRJU-MNNMKWMVSA-N
BMGC_DG08805,BMG_DG145164,C1C[C@H]([C@@H](C1)O)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O,,"InChI=1S/C15H21N5O5/c21-4-9-11(23)12(24)15(25-9)20-6-18-10-13(16-5-17-14(10)20)19-7-2-1-3-8(7)22/h5-9,11-12,15,21-24H,1-4H2,(H,16,17,19)/t7-,8-,9-,11-,12-,15-/m1/s1",GYWXTRVEUURNEW-QDYOZFCWSA-N
BMGC_DG08806,BMG_DG145165,,CCCCCCCCCCCCCCNCCCP(=O)(O)O,,ROTPOJPBVJTWLI-UHFFFAOYSA-N
BMGC_DG08807,BMG_DG145166,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C2C=CC=C3O,c1(sccc1)[C@@H](Oc2c3c(ccc2)c(ccc3)O)CCNC,"InChI=1S/C18H19NO2S/c1-19-11-10-17(18-9-4-12-22-18)21-16-8-3-5-13-14(16)6-2-7-15(13)20/h2-9,12,17,19-20H,10-11H2,1H3/t17-/m0/s1",MBVKPOXXMWDHKB-KRWDZBQOSA-N
BMGC_DG08808,BMG_DG145167,C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Zn+2],[Zn+2].OC[C@@H](O)[C@H]([C@H](O)[C@@H](O)C([O-])=O)O.OC[C@@H](O)[C@H]([C@H](O)[C@@H](O)C([O-])=O)O,"InChI=1S/2C6H12O7.Zn/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1",WHMDKBIGKVEYHS-IYEMJOQQSA-L
BMGC_DG08809,BMG_DG145182,C[C@@]1(CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C)C=C,C1(C)(C)[C@@]2([H])[C@@](C)([C@]3([H])C(CC2)=C[C@](C=C)(C)CC3)CCC1,"InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17-,19-,20+/m0/s1",XDSYKASBVOZOAG-QGZVKYPTSA-N
BMGC_DG08810,BMG_DG145193,CC1=C2CC[C@@]3(CCC=C([C@H]3C[C@@H](C2(C)C)CC1)C)C,,"InChI=1S/C20H32/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h7,16,18H,6,8-13H2,1-5H3/t16-,18+,20-/m0/s1",FRJSECSOXKQMOD-HQRMLTQVSA-N
BMGC_DG08811,BMG_DG145200,[O-][As]=O.[Na+],O=[As][O-].[Na+],"InChI=1S/AsHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1",PTLRDCMBXHILCL-UHFFFAOYSA-M
BMGC_DG08812,BMG_DG145201,,C1C=2C(C(NC(/C(/C)=C/C=C\[C@@H]([C@H](/C(=C/[C@H](C)[C@H]([C@@H](OC)C[C@@H]1C)O)/C)OC(=O)N)OC)=O)=CC(C2O)=O)=O,,KKZJVQQMUCBLHR-LVBRMASUSA-N
BMGC_DG08813,BMG_DG145203,,COc1cc(cc(OC)c1SCCCC)CCN,,CPNWMHCBHUXITO-UHFFFAOYSA-N
BMGC_DG08814,BMG_DG145235,,COc1ccc2ccc(N3CCNCC3)cc2c1,,FRTFBUOBLXTGSL-UHFFFAOYSA-N
BMGC_DG08815,BMG_DG145242,C[C@]12[C@H]([C@H](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)[C@H](NC6=O)O)NC)OC,,"InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27+,28+/m0/s1",PBCZSGKMGDDXIJ-YODCGEJZSA-N
BMGC_DG08816,BMG_DG145249,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)N(C)C(=O)C)C)C)N(C)C,,"InChI=1S/C26H46N2O/c1-17(27(5)6)22-10-11-23-21-9-8-19-16-20(28(7)18(2)29)12-14-25(19,3)24(21)13-15-26(22,23)4/h17,19-24H,8-16H2,1-7H3/t17-,19-,20-,21-,22+,23-,24-,25-,26+/m0/s1",WDKKOVABYKVZIW-VCJWWASDSA-N
BMGC_DG08817,BMG_DG145251,,c1(cc(cc([C@@H](C(=O)O)N)c1)O)O,,HOOWCUZPEFNHDT-ZETCQYMHSA-N
BMGC_DG08818,BMG_DG145254,CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O,C(C(O)=O)[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O[C@@H](CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1)CCCCCCCCCC(C)C,"InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1",NJGWOFRZMQRKHT-WGVNQGGSSA-N
BMGC_DG08819,BMG_DG145257,CC[C@@H]1CC2C[C@H]3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC,,"InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12?,13-,17-,20?/m1/s1",HSIBGVUMFOSJPD-XTKBRTNLSA-N
BMGC_DG08820,BMG_DG145259,C1CN=C(N1)CC2=CC=CC3=CC=CC=C32,C1(=NCCN1)Cc2c3c(cccc3)ccc2,"InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)",CNIIGCLFLJGOGP-UHFFFAOYSA-N
BMGC_DG08821,BMG_DG145260,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,C([C@@H](CC(=O)NO)CCCCC)(=O)N[C@@H](C(C)C)C(=O)N1[C@@H](CCC1)CO,"InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1",XJLATMLVMSFZBN-VYDXJSESSA-N
BMGC_DG08822,BMG_DG145270,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)O,[C@H]1([C@@H](Cc2c(O1)cc(cc2O)O)O)c3ccc(cc3)O,"InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m1/s1",RSYUFYQTACJFML-UKRRQHHQSA-N
BMGC_DG08823,BMG_DG145281,C[C@@H]1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl,c1c(cc2C(=N[C@@H](C(Nc2c1)=O)C)c3ccccc3Cl)[N+]([O-])=O,"InChI=1S/C16H12ClN3O3/c1-9-16(21)19-14-7-6-10(20(22)23)8-12(14)15(18-9)11-4-2-3-5-13(11)17/h2-9H,1H3,(H,19,21)/t9-/m1/s1",LMUVYJCAFWGNSY-SECBINFHSA-N
BMGC_DG08824,BMG_DG145282,,Fc1cccc(F)c1C2=NCC(=O)N(C)c3ccc(Cl)cc32,,DUNFPASORLTEGN-UHFFFAOYSA-N
BMGC_DG08825,BMG_DG145286,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C=O)NC(=O)OCC1=CC=CC=C1,,"InChI=1S/C20H30N2O4/c1-5-15(4)18(19(24)21-17(12-23)11-14(2)3)22-20(25)26-13-16-9-7-6-8-10-16/h6-10,12,14-15,17-18H,5,11,13H2,1-4H3,(H,21,24)(H,22,25)/t15-,17-,18-/m0/s1",WJQLUFQGNVGLKR-SZMVWBNQSA-N
BMGC_DG08826,BMG_DG145292,,c12c(n(CCCC)c(c1C(=O)c3c4c(cccc4)ccc3)C)cccc2,,QKXRHYJSCZFHEK-UHFFFAOYSA-N
BMGC_DG08827,BMG_DG145294,C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-],,"InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/p-3",QPCDCPDFJACHGM-UHFFFAOYSA-K
BMGC_DG08828,BMG_DG145296,,,,
BMGC_DG08829,BMG_DG145297,,n12c(c(C(Nc3cc(C(=O)c4ccccc4)ccc3)=O)cc1)CS[C@@H]2c5cnccc5,,PQQFNXGONTVQLM-RUZDIDTESA-N
BMGC_DG08830,BMG_DG145303,CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)O)O,N1(CC[C@]23c4c(C1)ccc(c4O[C@]2(C[C@H](C=C3)O)[H])O)C,"InChI=1S/C16H19NO3/c1-17-7-6-16-5-4-11(18)8-13(16)20-15-12(19)3-2-10(9-17)14(15)16/h2-5,11,13,18-19H,6-9H2,1H3/t11-,13-,16-/m0/s1",OYSGWKOGUVOGFQ-RBOXIYTFSA-N
BMGC_DG08831,BMG_DG145304,,N1(CC[C@]23c4c(C1)ccc(c4O[C@@]2([H])C[C@H](CC3)O)OC)C,,GJRMHIXYLGOZSE-JDFRZJQESA-N
BMGC_DG08832,BMG_DG145320,CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.[Ca+2],[Ca+2].OCC([C@H](C(=O)NCCC([O-])=O)O)(C)C.OCC([C@H](C(=O)NCCC([O-])=O)O)(C)C,"InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1",FAPWYRCQGJNNSJ-UBKPKTQASA-L
BMGC_DG08833,BMG_DG145324,C[C@H]([C@H]1C(=O)N[C@@H](C(=O)N[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC2=CC=CC=C2)C(C)O)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)CC(=O)N)CCCCN)NC(=O)CNC(=O)[C@H](C)N)C(=O)O)CO)O,,"InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42?,43+,50-,51+,52-,53+,54+,55-,56+,57+,58-,59+,62-,63-/m0/s1",NHXLMOGPVYXJNR-HVEUVEBASA-N
BMGC_DG08834,BMG_DG145340,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C(=O)C)O)N)O,c12c(c(c3C(c4cccc(c4C(c3c1O)=O)O)=O)O)C[C@](C(C)=O)(O)C[C@@H]2O[C@]5(C[C@@H]([C@H](O)[C@@H](O5)C)N)[H],"InChI=1S/C26H27NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3/t9-,13-,15-,16-,21+,26-/m0/s1",XREUEWVEMYWFFA-CSKJXFQVSA-N
BMGC_DG08835,BMG_DG145341,,c12c(C(=O)c3c(C1=O)cccc3OC)c(O)c4c(c2O)C[C@]([C@@H](O)C)(O)C[C@@H]4O[C@@]5(O[C@@H](C)[C@H]([C@H](C5)N)O)[H],,HJEZFVLKJYFNQW-PRFXOSGESA-N
BMGC_DG08836,BMG_DG145344,,C1CC1/C(=N/OC[C@@H](O)CNC(C)(C)C)/C,,IYQDIWRBEQWANY-LUHPIMIVSA-N
BMGC_DG08837,BMG_DG145353,CC1=CC=CN2C1=NC=C(C2=O)C3=NN=N[N-]3.[K+],n12c(c(-c3[n-]nnn3)cnc1c(C)ccc2)=O.[K+],"InChI=1S/C10H7N6O.K/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8;/h2-5H,1H3;/q-1;+1",NMMVKSMGBDRONO-UHFFFAOYSA-N
BMGC_DG08838,BMG_DG145356,CC1=C([C@@H](C(=C(N1)C)C(=O)O[C@H]2CCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC,[C@@H]1(CCN(Cc2ccccc2)C1)OC(C=3[C@@H](c4cc([N+](=O)[O-])ccc4)C(=C(NC3C)C)C(OC)=O)=O,"InChI=1S/C27H29N3O6/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3/t22-,25-/m0/s1",VXMOONUMYLCFJD-DHLKQENFSA-N
BMGC_DG08839,BMG_DG145359,C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC,[C@@]123O[C@@]1(C[C@]4([C@]([C@@]2([C@H](C(=O)OC)CC=5[C@@]3(CCC(=O)C5)C)[H])(CC[C@]46OC(=O)CC6)[H])C)[H],"InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1",JUKPWJGBANNWMW-VWBFHTRKSA-N
BMGC_DG08840,BMG_DG145361,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CS[C@@H](CN(C2=O)CC(=O)O)C3=CC=CS3,c1ccc(cc1)CC[C@H](N[C@H]2CS[C@H](c3cccs3)CN(CC(O)=O)C2=O)C(OCC)=O,"InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27)/t17-,18-,20-/m0/s1",FIQOFIRCTOWDOW-BJLQDIEVSA-N
BMGC_DG08841,BMG_DG145363,CC1=CC(=C(C=C1)O)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.c1([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c(ccc(c1)C)O,"InChI=1S/C22H31NO.C4H6O6/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24;5-1(3(7)8)2(6)4(9)10/h6-12,15-17,20,24H,13-14H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t20-;1-,2-/m11/s1",TWHNMSJGYKMTRB-KXYUELECSA-N
BMGC_DG08842,BMG_DG145364,CC1=CC(=C(C=C1)O)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2,c1([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c(ccc(c1)C)O,"InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1",OOGJQPCLVADCPB-HXUWFJFHSA-N
BMGC_DG08843,BMG_DG145368,C[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C,C=12[C@](N(C)C[C@@H](C1)C(N[C@H](CO)C)=O)(Cc3c4c2cccc4[nH]c3)[H],"InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1",WVVSZNPYNCNODU-XTQGRXLLSA-N
BMGC_DG08844,BMG_DG145370,,N1(C(c2c(cc(NC(c3c(C)cccc3)=O)cc2)C)=O)c4c(cc(cc4)Cl)[C@H](O)CCC1,,GYHCTFXIZSNGJT-XMMPIXPASA-N
BMGC_DG08845,BMG_DG145374,,[nH]1cc(CCCN(C)C)c2c1ccc(c2)OC,,AAVYCYAMAJRINF-UHFFFAOYSA-N
BMGC_DG08846,BMG_DG145385,,Cc1ccc(C#Cc2csc(C)n2)cc1,,AIMMPGMZHVMWCT-UHFFFAOYSA-N
BMGC_DG08847,BMG_DG145388,CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C(=O)COC(=O)C,[C@]12([C@@]3([C@]([C@]4([C@]([C@](C(COC(=O)C)=O)(OC(=O)CCC)CC4)(C)C[C@@H]3O)[H])(C[C@@H](C1=CC(C=C2)=O)F)[H])F)C,"InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1",WYQPLTPSGFELIB-JTQPXKBDSA-N
BMGC_DG08848,BMG_DG145393,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CCl)C)O)F,[C@@]12([C@@]3([C@@]([C@@]4(CCC=5[C@@]([C@]4([C@H](C3)O)F)(CCC(=O)C5)C)[H])([H])C[C@]1(OC(O2)(C)C)[H])C)C(=O)CCl,"InChI=1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",MUQNGPZZQDCDFT-JNQJZLCISA-N
BMGC_DG08849,BMG_DG145396,C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)OC,[C@]12([C@@]([C@@H](C3=CC(=O)OC3)CC1)([C@@H](C[C@]4([C@]2(CC[C@]5([C@@]4(CC[C@H](O[C@@]6(O[C@H](C)[C@H]([C@H](C6)O)O[C@@]7(O[C@H](C)[C@H]([C@H](C7)O)O[C@@]8(O[C@H](C)[C@H]([C@H](C8)O)OC)[H])[H])[H])C5)C)[H])[H])[H])O)C)O,"InChI=1S/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m1/s1",IYJMSDVSVHDVGT-PEQKVOOWSA-N
BMGC_DG08850,BMG_DG145400,,C1(c2ccccc2-c3c1cccc3)(C(NCC(F)(F)F)=O)CCCC[N+]4(CCC(CC4)NC(c5ccccc5-c6ccc(cc6)C(F)(F)F)=O)[O-],,FDUXETILSFJQIF-UHFFFAOYSA-N
BMGC_DG08851,BMG_DG145402,CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C,c12c3c(cccc3[nH]c1)[C@@]4([C@@](C2)(N(C[C@@H](NC(N(CC)CC)=O)C4)C)[H])[H],"InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1",JOAHPSVPXZTVEP-YXJHDRRASA-N
BMGC_DG08852,BMG_DG145403,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O,[C@@H]1([C@H](O[C@@]2([C@H]([C@@]([C@H](C(O[C@H](CC)[C@]([C@@H]([C@H](C([C@@H](C[C@]2(O)C)C)=O)C)O)(O)C)=O)C)(O[C@H]3C[C@](OC)(C)[C@H]([C@@H](O3)C)O)[H])C)[H])O[C@@H](C[C@@H]1N(C)C)C)OC(=O)CCC(=O)OCC,"InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1",NSYZCCDSJNWWJL-YXOIYICCSA-N
BMGC_DG08853,BMG_DG145404,CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC,n12c3c(CCN4[C@]3([C@](C=C1C(=O)OCC)(CCC4)CC)[H])c5c2cccc5,"InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1",DDNCQMVWWZOMLN-IRLDBZIGSA-N
BMGC_DG08854,BMG_DG145406,CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)OC6(O2)CCCC6,[C@@]12([C@@]3([C@@]([C@@]4(CCC=5[C@@]([C@]4([C@H](C3)O)F)(C=CC(=O)C5)C)[H])([H])C[C@]1(OC6(O2)CCCC6)[H])C)C(COC(=O)C)=O,"InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,27-,28+/m0/s1",ILKJAFIWWBXGDU-MOGDOJJUSA-N
BMGC_DG08855,BMG_DG145411,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)F)(C=CC(=O)C4)C)[H])(C[C@@H]([C@@]2(C(COC(=O)C)=O)O)C)[H])C,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1",AKUJBENLRBOFTD-QZIXMDIESA-N
BMGC_DG08856,BMG_DG145417,,C(CCCC)n1c2c(c(c1C)C(Cc3cc(Cl)ccc3)=O)cccc2,,IVDPZBGEPKPWGK-UHFFFAOYSA-N
BMGC_DG08857,BMG_DG145418,,Brc1c(cccc1)CC(=O)c2cn(c3c2cccc3)CCCCC,,CGQRVOHECAULLB-UHFFFAOYSA-N
BMGC_DG08858,BMG_DG145419,,C(CCCC)n1c2c(c(c1C)C(Cc3cc(OC)ccc3)=O)cccc2,,QZLRCHSRCYFMFK-UHFFFAOYSA-N
BMGC_DG08859,BMG_DG145420,,[nH]1cc(c2ccccc12)C[C@@H]3N(CCC3)C,,HCTCDEAMCNSARD-GFCCVEGCSA-N
BMGC_DG08860,BMG_DG145421,,C(Cc1ccccc1)(=O)c2c3c(n(c2C)CCCCC)cccc3,,BVRXLMVNOFBNCJ-UHFFFAOYSA-N
BMGC_DG08861,BMG_DG145422,,C(CCCC)n1c2c(c(c1)C(Cc3ccc(cc3)C)=O)cccc2,,GSVYYNBRAJBCQS-UHFFFAOYSA-N
BMGC_DG08862,BMG_DG145423,,C(CCCC)n1c2c(c(c1C)C(Cc3ccc(cc3)C)=O)cccc2,,RDYZLFKKWNGIJS-UHFFFAOYSA-N
BMGC_DG08863,BMG_DG145424,CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3Cl,c1ccc2c(c1)c(cn2CCCCC)C(Cc3c(cccc3)Cl)=O,"InChI=1S/C21H22ClNO/c1-2-3-8-13-23-15-18(17-10-5-7-12-20(17)23)21(24)14-16-9-4-6-11-19(16)22/h4-7,9-12,15H,2-3,8,13-14H2,1H3",YDINKDBAZJOSLV-UHFFFAOYSA-N
BMGC_DG08864,BMG_DG145425,,c1(ccccc1)CC(=O)c2cn(c3c2cccc3)CCCCC,,AMCPOEOUXQWESI-UHFFFAOYSA-N
BMGC_DG08865,BMG_DG145426,,C(CCCC)n1c2c(c(c1)C(Cc3ccc(cc3)Cl)=O)cccc2,,GPMUZXUMSOFDBA-UHFFFAOYSA-N
BMGC_DG08866,BMG_DG145427,,C(CCCC)n1c2c(c(c1C)C(Cc3ccc(cc3)Cl)=O)cccc2,,ZFTOVDKPJSCPEE-UHFFFAOYSA-N
BMGC_DG08867,BMG_DG145428,CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3OC,O=C(c1c2ccccc2n(CCCCC)c1)Cc3ccccc3OC,"InChI=1S/C22H25NO2/c1-3-4-9-14-23-16-19(18-11-6-7-12-20(18)23)21(24)15-17-10-5-8-13-22(17)25-2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3",FFLSJIQJQKDDCM-UHFFFAOYSA-N
BMGC_DG08868,BMG_DG145429,,CCCCCn1cc(C(=O)Cc2ccc(OC)cc2)c3ccccc13,,KQRKUKYSZPHOKC-UHFFFAOYSA-N
BMGC_DG08869,BMG_DG145431,,C(CCCC)n1c2c(c(c1)C(Cc3cc(Cl)ccc3)=O)cccc2,,KURUPMPUIIQATM-UHFFFAOYSA-N
BMGC_DG08870,BMG_DG145434,,[C@](c1ccccc1)(C#N)(C(C)C)CCCN(C)CCc2ccccc2,,DWAWDSVKAUWFHC-HSZRJFAPSA-N
BMGC_DG08871,BMG_DG145442,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,C(c1cc(Cl)ccc1)(C(NC(C)(C)C)C)=O,"InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3",SNPPWIUOZRMYNY-UHFFFAOYSA-N
BMGC_DG08872,BMG_DG145443,CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C,S(=O)(=O)(NC)CCc1cc2c(c[nH]c2cc1)C3CCN(CC3)C,"InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3",AMKVXSZCKVJAGH-UHFFFAOYSA-N
BMGC_DG08873,BMG_DG145448,C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)N[C@@H]([C@@H](C)O)C(=O)O)O.[Ga+3],,"InChI=1S/C65H90N14O19S2.Ga/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66;/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98);/q;+3/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+;/m1./s1",XBJPSVQFCQFGDC-UZOALHFESA-K
BMGC_DG08874,BMG_DG145453,CC1=C(SC=N1)C=CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C,,"InChI=1S/C25H28N6O7S3/c1-12-15(41-10-27-12)7-6-13-8-39-21-17(29-19(32)16(30-36-5)14-9-40-24(26)28-14)20(33)31(21)18(13)22(34)37-11-38-23(35)25(2,3)4/h6-7,9-10,17,21H,8,11H2,1-5H3,(H2,26,28)(H,29,32)/t17-,21-/m1/s1",AFZFFLVORLEPPO-DYESRHJHSA-N
BMGC_DG08875,BMG_DG145456,C[C@@H]1CC2=C(CCC(=O)C2)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O,C12=C(C[C@@H](C)[C@]3([C@]4([C@]([C@@](C#C)(O)CC4)(C)CC[C@]13[H])[H])[H])CC(=O)CC2,"InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1",WZDGZWOAQTVYBX-XOINTXKNSA-N
BMGC_DG08876,BMG_DG145458,COCCNC(=O)CN(CCN(CCN(CC(=O)NCCOC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3],[Gd+3].N(CCN(CC(=O)[O-])CCN(CC(=O)NCCOC)CC([O-])=O)(CC(=O)NCCOC)CC(=O)[O-],"InChI=1S/C20H37N5O10.Gd/c1-34-9-3-21-16(26)11-24(14-19(30)31)7-5-23(13-18(28)29)6-8-25(15-20(32)33)12-17(27)22-4-10-35-2;/h3-15H2,1-2H3,(H,21,26)(H,22,27)(H,28,29)(H,30,31)(H,32,33);/q;+3/p-3",HBEAOBRDTOXWRZ-UHFFFAOYSA-K
BMGC_DG08877,BMG_DG145460,C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO,[C@]1([C@H]([C@@H]([C@@H](O)[C@H](C1)NC(CO)CO)O)O)(O)CO,"InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1",FZNCGRZWXLXZSZ-CIQUZCHMSA-N
BMGC_DG08878,BMG_DG145462,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OCOC(=O)[C@H]4C(S(=O)(=O)[C@H]5N4C(=O)C5)(C)C)C,S1(C([C@H](C(OCOC([C@@H]2N3[C@]([C@H](NC([C@@H](c4ccccc4)N)=O)C3=O)([H])SC2(C)C)=O)=O)N5[C@]1(CC5=O)[H])(C)C)(=O)=O,"InChI=1S/C25H30N4O9S2/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31)/t14-,15-,16-,17+,18+,21-/m1/s1",OPYGFNJSCUDTBT-PMLPCWDUSA-N
BMGC_DG08879,BMG_DG145463,CCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)OCCl,[C@@]12([C@](C(OCCl)=O)(OC(=O)OCC)CC[C@]2([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)[H])(C=CC(=O)C4)C)[H])[H])C,"InChI=1S/C24H31ClO7/c1-4-30-21(29)32-24(20(28)31-13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)19(16)18(27)12-23(17,24)3/h7,9,11,16-19,27H,4-6,8,10,12-13H2,1-3H3/t16-,17-,18-,19+,22-,23-,24-/m0/s1",DMKSVUSAATWOCU-HROMYWEYSA-N
BMGC_DG08880,BMG_DG145464,CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4C5=C(C=C(C=C5)F)ON4,,"InChI=1S/C23H29FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16,22,26H,2-4,7-13H2,1H3",WDNMHZRFIIOXOD-UHFFFAOYSA-N
BMGC_DG08881,BMG_DG145468,C1CN(C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5.Br,C([C@H]1CN(CCc2cc3CCOc3cc2)CC1)(C(=O)N)(c4ccccc4)c5ccccc5.Br,"InChI=1S/C28H30N2O2.BrH/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26;/h1-12,19,25H,13-18,20H2,(H2,29,31);1H/t25-;/m1./s1",UQAVIASOPREUIT-VQIWEWKSSA-N
BMGC_DG08882,BMG_DG145469,C1CN(C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5,C([C@H]1CN(CCc2cc3CCOc3cc2)CC1)(C(=O)N)(c4ccccc4)c5ccccc5,"InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1",HXGBXQDTNZMWGS-RUZDIDTESA-N
BMGC_DG08883,BMG_DG145474,CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF,[C@]12([C@@]3([C@@]([C@@]4(C[C@@H](C)[C@@]([C@]4(C[C@@H]3O)C)(C(SCF)=O)OC(=O)CC)[H])([H])C[C@@H](C1=CC(C=C2)=O)F)F)C,"InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1",WMWTYOKRWGGJOA-CENSZEJFSA-N
BMGC_DG08884,BMG_DG145476,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4O)C,C[C@]12CCC(=O)C[C@]1([H])CC[C@@]3([H])[C@]4([H])CC[C@@H](O)[C@@]4(C)CC[C@@]32[H],"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17+,18-,19-/m0/s1",NVKAWKQGWWIWPM-OPAYZWDASA-N
BMGC_DG08885,BMG_DG145478,,n12c(c(c3ccc(cc13)F)Sc4ccc(cc4)Cl)[C@@H](CC2)CC(=O)O,,GSBAVONRPNJJOH-NSHDSACASA-N
BMGC_DG08886,BMG_DG145481,C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O,[C@]12(O[C@]3([C@@H]([C@@H](O)[C@](O[C@@H]3CO)(O[C@]4([C@@H]([C@@H](O)[C@](O[C@@H]4CO)(O[C@]5([C@@H]([C@H]([C@](O[C@]6([H])[C@H](O[C@](O[C@]7([C@@H]([C@H]([C@@](O[C@@]8([C@H](O[C@](O[C@]([C@@H]([C@H]1O)O)([H])[C@H](O2)CO)([C@@H]([C@H]8O)O)[H])CO)[H])(O[C@@H]7CO)[H])O)O)[H])([C@@H]([C@H]6O)O)[H])CO)([H])O[C@@H]5CO)O)O)[H])[H])O)[H])[H])O)[H])[H],"InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1",WHGYBXFWUBPSRW-FOUAGVGXSA-N
BMGC_DG08887,BMG_DG145483,,CN(C)CCc1cn(C)c2cccc(O)c12,,MZZRFEIDRWKTKJ-UHFFFAOYSA-N
BMGC_DG08888,BMG_DG145485,,Cc1ccc(C(F)(F)S(N)(=O)=O)cc1,,QPMHTUPJLAWJAW-UHFFFAOYSA-N
BMGC_DG08889,BMG_DG145486,,,,
BMGC_DG08890,BMG_DG145497,CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C(=C3CCC(=O)O)C)CCC(=O)O.[Fe+2],,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2",KABFMIBPWCXCRK-UHFFFAOYSA-L
BMGC_DG08891,BMG_DG145500,,N[C@@H](CCC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)C(=O)O,,QGWRMTHFAZVWAM-WDSKDSINSA-N
BMGC_DG08892,BMG_DG145502,,,,
BMGC_DG08893,BMG_DG145504,,Cn1cc(-c2ccoc2)c3ccccc13,,UFMJKAKKDCGNEF-UHFFFAOYSA-N
BMGC_DG08894,BMG_DG145508,,,,
BMGC_DG08895,BMG_DG145510,,,,
BMGC_DG08896,BMG_DG145511,,,,
BMGC_DG08897,BMG_DG145512,C1=CC=C2C(=C1)C(=CN2)[C@@H]([C@@H](COP(=O)(O)O)O)O,,"InChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/t10-,11+/m1/s1",NQEQTYPJSIEPHW-MNOVXSKESA-N
BMGC_DG08898,BMG_DG145515,,Cc1cccc(C#CCCCc2ccccc2)n1,,NJJSTWRJIALOHE-UHFFFAOYSA-N
BMGC_DG08899,BMG_DG145519,C1=CC(=NC(=C1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O,,"InChI=1S/C21H27N7O14P2/c22-18-12-20(25-6-24-18)28(7-26-12)21-16(32)14(30)11(41-21)5-39-44(36,37)42-43(34,35)38-4-10-13(29)15(31)17(40-10)8-2-1-3-9(27-8)19(23)33/h1-3,6-7,10-11,13-17,21,29-32H,4-5H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,17+,21-/m1/s1",LFERELMXERXKKQ-KMXXXSRASA-N
BMGC_DG08900,BMG_DG145522,,,,
BMGC_DG08901,BMG_DG145524,,C(=O)(c1cn(c(c1)-c2ccccc2)CCCCC)c3cccc4ccccc34,,JLXYYSHMURZHKI-UHFFFAOYSA-N
BMGC_DG08902,BMG_DG145525,,C(CCCCC)n1c(cc(c1)C(=O)c2c3c(ccc2)cccc3)-c4ccccc4,,FRMYAMAGHYHNKF-UHFFFAOYSA-N
BMGC_DG08903,BMG_DG145526,,CCCCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c4ccccc4,,JDBFNFBWXVCTSA-UHFFFAOYSA-N
BMGC_DG08904,BMG_DG145527,,C(=O)(c1cccc2ccccc12)c3cn(c(c3)-c4c(cccc4)C)CCCCC,,HZMLAMXVETUEJZ-UHFFFAOYSA-N
BMGC_DG08905,BMG_DG145528,,C(=O)(c1cccc2ccccc12)c3cn(c(c3)-c4cc(ccc4)F)CCCCC,,OCOICOMCAJNSCA-UHFFFAOYSA-N
BMGC_DG08906,BMG_DG145529,,CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c4ccc(F)cc4,,PJNACIYIFHTDCK-UHFFFAOYSA-N
BMGC_DG08907,BMG_DG145530,,CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c4cccc5ccccc45,,WVISOUYKTUUDFW-UHFFFAOYSA-N
BMGC_DG08908,BMG_DG145531,,Cc1cn(CCCCCCOC(c2ccccc2)(c3ccccc3)c4ccccc4)c(=O)[nH]c1=O,,POQKPOUSJVGFHD-UHFFFAOYSA-N
BMGC_DG08909,BMG_DG145533,,c1(c(ccc(c1)[C@H]([C@@]2(NCCCC2)[H])C(OC)=O)Cl)Cl,,JUKMAYKVHWKRKY-CHWSQXEVSA-N
BMGC_DG08910,BMG_DG145535,,COc1cc(O)ccc1/C=C/c2cc(O)cc(O)c2,,CFQSTARVCGBYNJ-NSCUHMNNSA-N
BMGC_DG08911,BMG_DG145538,,O[C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1C)O,,SHZGCJCMOBCMKK-PHYPRBDBSA-N
BMGC_DG08912,BMG_DG145546,,,,
BMGC_DG08913,BMG_DG145547,,c1(ccc([C@@H](C(CC)CC)n2cncn2)cc1)Nc3sc4c(n3)cccc4,,SNFYYXUGUBUECJ-HXUWFJFHSA-N
BMGC_DG08914,BMG_DG145549,,,,
BMGC_DG08915,BMG_DG145550,,,,
BMGC_DG08916,BMG_DG145557,,,,
BMGC_DG08917,BMG_DG145558,,O=C(N[C@H](C(=O)O)C)CCCCCCC/C=C\CCCCCCCC,,CHQZBIVWDKADIA-GDWUOILNSA-N
BMGC_DG08918,BMG_DG145560,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O,OS(OC[C@]1(O[C@H]2O[C@H](COS(O)(=O)=O)[C@H]([C@H](OS(=O)(=O)O)[C@H]2OS(O)(=O)=O)OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(O)=O)[C@@H](COS(=O)(O)=O)O1)(=O)=O,"InChI=1S/C12H22O35S8/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",WEPNHBQBLCNOBB-UGDNZRGBSA-N
BMGC_DG08919,BMG_DG145561,,,,
BMGC_DG08920,BMG_DG145563,CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC,,"InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45+/m0/s1",GBABOYUKABKIAF-GHYRFKGUSA-N
BMGC_DG08921,BMG_DG145567,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO,,"InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1",XUFXOAAUWZOOIT-SXARVLRPSA-N
BMGC_DG08922,BMG_DG145568,,c1(c(C)cc(cc1)[S+](C[C@H](OCC)COc2ccc(cc2)C(F)(F)F)[O-])OCC(O)=O,,NIFQJGGFYUGBGD-WYXXSATOSA-N
BMGC_DG08923,BMG_DG145572,C(=C\C(=O)O)\C(=O)O,C(/C=C\C(=O)O)(=O)O,"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-",VZCYOOQTPOCHFL-UPHRSURJSA-N
BMGC_DG08924,BMG_DG145573,CCC(C)C(=O)[C@]12C(=O)C(=C([C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C,C(C(CC)C)(=O)[C@@]12[C@@](CCC=C(C)C)(C)[C@@H](CC=C(C)C)C[C@@](CC=C(C)C)(C1=O)C(=O)C(CC=C(C)C)=C2O,"InChI=1S/C36H54O4/c1-12-27(10)30(37)36-32(39)29(18-16-25(6)7)31(38)35(33(36)40,21-19-26(8)9)22-28(17-15-24(4)5)34(36,11)20-13-14-23(2)3/h14-16,19,27-28,38H,12-13,17-18,20-22H2,1-11H3/t27?,28-,34+,35+,36-/m0/s1",DHPDSOCOUJHGHE-ACJQSPJVSA-N;MGKCAFQXBAFOSW-ACJQSPJVSA-N
BMGC_DG08925,BMG_DG145581,C[C@]12CC[C@H](C1(C)C)CC2=O,[C@@]12(C([C@](CC1=O)(CC2)[H])(C)C)C,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1",DSSYKIVIOFKYAU-OIBJUYFYSA-N
BMGC_DG08926,BMG_DG145584,,CCCCCC(CCCCC)Sc1nn[nH]c1C(=O)O,,GROSWUGUHPUYIU-UHFFFAOYSA-N
BMGC_DG08927,BMG_DG145586,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1",FEWJPZIEWOKRBE-JCYAYHJZSA-N
BMGC_DG08928,BMG_DG145587,,,,
BMGC_DG08929,BMG_DG145588,,C(F)(F)(F)c1n2c(CN(C(C[C@@H](Cc3c(F)c(F)ccc3F)N)=O)CC2)nn1,,QYCBJMPVGAGUAX-MRVPVSSYSA-N
BMGC_DG08930,BMG_DG145600,,N#Cc1ccc(-c2ccccc2C(F)(F)F)cc1C(F)(F)F,,LVFYAAITUNIVMI-UHFFFAOYSA-N
BMGC_DG08931,BMG_DG145603,,,,
BMGC_DG08932,BMG_DG145604,,,,
BMGC_DG08933,BMG_DG145609,,,,
BMGC_DG08934,BMG_DG145612,,,,
BMGC_DG08935,BMG_DG145614,,,,
BMGC_DG08936,BMG_DG145616,,,,
BMGC_DG08937,BMG_DG145618,,,,
BMGC_DG08938,BMG_DG145619,,,,
BMGC_DG08939,BMG_DG145620,,,,
BMGC_DG08940,BMG_DG145624,,,,
BMGC_DG08941,BMG_DG145626,,O[C@]12[C@@]34c5c(O[C@]3(C(=O)C6(C1)Cc7c(C6)cccc7)[H])c(O)ccc5C[C@H]2N(C)CC4,,YJWDKWRVFJZBCJ-QVJDATKISA-N
BMGC_DG08942,BMG_DG145627,,,,
BMGC_DG08943,BMG_DG145628,,,,
BMGC_DG08944,BMG_DG145631,,,,
BMGC_DG08945,BMG_DG145635,,,,
BMGC_DG08946,BMG_DG145638,,,,
BMGC_DG08947,BMG_DG145641,,,,
BMGC_DG08948,BMG_DG145646,CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CN(CC(=O)O)C(=O)OC4=CC=C(C=C4)O,n1c(oc(c1CCOc2ccc(CN(C(Oc3ccc(cc3)O)=O)CC(=O)O)cc2)C)-c4ccccc4,"InChI=1S/C28H26N2O7/c1-19-25(29-27(36-19)21-5-3-2-4-6-21)15-16-35-23-11-7-20(8-12-23)17-30(18-26(32)33)28(34)37-24-13-9-22(31)10-14-24/h2-14,31H,15-18H2,1H3,(H,32,33)",IDSGPTAKWHAXDL-UHFFFAOYSA-N
BMGC_DG08949,BMG_DG145648,COC1=CC=C(C=C1)OC(=O)N(CC2=CC=C(C=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)CO)CC(=O)O,n1c(oc(c1CCOc2ccc(CN(C(Oc3ccc(cc3)OC)=O)CC(=O)O)cc2)CO)-c4ccccc4,"InChI=1S/C29H28N2O8/c1-36-22-11-13-24(14-12-22)38-29(35)31(18-27(33)34)17-20-7-9-23(10-8-20)37-16-15-25-26(19-32)39-28(30-25)21-5-3-2-4-6-21/h2-14,32H,15-19H2,1H3,(H,33,34)",SZQYQVHETQTNHR-UHFFFAOYSA-N
BMGC_DG08950,BMG_DG145649,,n1c(oc(c1CCOc2ccc(CN(C(Oc3ccc(cc3)O)=O)CC(=O)O)cc2)CO)-c4ccccc4,,YIRXLRFQQYZVHN-UHFFFAOYSA-N
BMGC_DG08951,BMG_DG145651,COC1=CC=C(C=C1)OC(=O)N(CC2=CC=C(C=C2)O)CC(=O)O,C(N(Cc1ccc(O)cc1)CC(=O)O)(Oc2ccc(cc2)OC)=O,"InChI=1S/C17H17NO6/c1-23-14-6-8-15(9-7-14)24-17(22)18(11-16(20)21)10-12-2-4-13(19)5-3-12/h2-9,19H,10-11H2,1H3,(H,20,21)",GQHGGKPOZFTGOJ-UHFFFAOYSA-N
BMGC_DG08952,BMG_DG145652,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)[C@H](C(=O)NCCC(=O)NCCS)O,,"InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/t11-,14-,15-,16+,20-/m1/s1",KDTSHFARGAKYJN-IBOSZNHHSA-N
BMGC_DG08953,BMG_DG145653,,N(C(=O)c1ccccc1)(C(CCOc2ccc(CN(C(Oc3ccc(cc3)OC)=O)CC(=O)O)cc2)=O)C(C)=O,,OSAQGXMPWVOCKW-UHFFFAOYSA-N
BMGC_DG08954,BMG_DG145655,,N(C(=O)c1ccccc1)C(CCOc2ccc(CN(C(Oc3ccc(cc3)OC)=O)CC(=O)O)cc2)=O,,BCPYRWFJFPXIAV-UHFFFAOYSA-N
BMGC_DG08955,BMG_DG145659,,n1([C@H]2C([C@H](O)[C@H](O2)COP(=O)(O)O)(F)F)c([nH]c(cc1)=O)=O,,APSMIPKDENVCML-QPPQHZFASA-N
BMGC_DG08956,BMG_DG145660,,O(P(O)(O)=O)C[C@@]12[C@@H](OP(=O)(O)O)C[C@H](n3cnc4c(nc(nc43)I)NC)[C@]2(C1)[H],,NMVWLEUONAKGCD-SMWKGLLFSA-N
BMGC_DG08957,BMG_DG145662,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O,n1([C@H]2[C@@H]([C@H](OP(=O)(O)O)[C@H](O2)COP(OP(OCC([C@H](C(=O)NCCC(=O)NCCSC(=O)C)O)(C)C)(=O)O)(=O)O)O)c3c(c(N)ncn3)nc1,"InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1",ZSLZBFCDCINBPY-ZSJPKINUSA-N
BMGC_DG08958,BMG_DG145663,,,,
BMGC_DG08959,BMG_DG145664,,,,
BMGC_DG08960,BMG_DG145665,,,,
BMGC_DG08961,BMG_DG145674,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)NC(=O)C)O,,"InChI=1S/C24H41N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-24,28-30,34-38H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m1/s1",WZZVUHWLNMNWLW-VFCSDQTKSA-N
BMGC_DG08962,BMG_DG145675,CC1CC(=O)C2=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2,,"InChI=1S/C14H12O5/c1-6-3-10(16)13-11(6)8-4-7(18-2)5-9(15)12(8)14(17)19-13/h4-6,15H,3H2,1-2H3",WCUQVKQCPDVPRC-UHFFFAOYSA-N
BMGC_DG08963,BMG_DG145679,C1=CC=C(C=C1)/C=C/C(=O)O,C(/C=C/c1ccccc1)(=O)O,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",WBYWAXJHAXSJNI-VOTSOKGWSA-N
BMGC_DG08964,BMG_DG145680,CCOC[C@]12CC3=C(C=C1CCN(C2)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)N(N=C3)C5=CC=C(C=C5)F,c1c2c(n(n1)-c3ccc(cc3)F)C=C4[C@](C2)(CN(CC4)S(=O)(=O)c5ccc(cc5)C(F)(F)F)COCC,"InChI=1S/C26H25F4N3O3S/c1-2-36-17-25-14-18-15-31-33(22-7-5-21(27)6-8-22)24(18)13-20(25)11-12-32(16-25)37(34,35)23-9-3-19(4-10-23)26(28,29)30/h3-10,13,15H,2,11-12,14,16-17H2,1H3/t25-/m1/s1",SLKURXRZHJOZOD-RUZDIDTESA-N
BMGC_DG08965,BMG_DG145681,,,,
BMGC_DG08966,BMG_DG145682,,,,
BMGC_DG08967,BMG_DG145683,,c1c(NCc2cccs2)nc(-c3ccc(S(=O)(=O)C)cc3)nc1OC,,LWZBBNWYOITRHC-UHFFFAOYSA-N
BMGC_DG08968,BMG_DG145684,,,,
BMGC_DG08969,BMG_DG145685,,CN1C(=O)CCC1(C)C,,YARDEGUIPATLSG-UHFFFAOYSA-N
BMGC_DG08970,BMG_DG145686,,,,
BMGC_DG08971,BMG_DG145687,,C#Cc1ccc(S(N)(=O)=O)cc1,,OQPUCENNUFNCQO-UHFFFAOYSA-N
BMGC_DG08972,BMG_DG145688,C1=CC=C(C=C1)CC2O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C=CC(=O)NC4=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]5[C@@H]([C@@H]([C@H](O5)N6C=CC(=O)NC6=O)O)O,,"InChI=1S/C26H31N4O20P3/c31-16-6-8-29(25(35)27-16)23-20(34)19(33)14(45-23)11-43-51(37,38)49-53(41,42)50-52(39,40)44-12-15-21-22(24(46-15)30-9-7-17(32)28-26(30)36)48-18(47-21)10-13-4-2-1-3-5-13/h1-9,14-15,18-24,33-34H,10-12H2,(H,37,38)(H,39,40)(H,41,42)(H,27,31,35)(H,28,32,36)/t14-,15+,18?,19-,20-,21+,22+,23-,24+/m0/s1",FIZCPSOYGRAJHH-LAJHJGSGSA-N
BMGC_DG08973,BMG_DG145697,,,,
BMGC_DG08974,BMG_DG145699,,,,
BMGC_DG08975,BMG_DG145702,CC(C)[C@H](C(=O)NO)N,,"InChI=1S/C5H12N2O2/c1-3(2)4(6)5(8)7-9/h3-4,9H,6H2,1-2H3,(H,7,8)/t4-/m1/s1",USSBBYRBOWZYSB-SCSAIBSYSA-N
BMGC_DG08976,BMG_DG145703,,C=CCn1c(=O)c2c(ncn2C)n(CC=C)c1=O,,YAUBCZNTZIWFJS-UHFFFAOYSA-N
BMGC_DG08977,BMG_DG145707,,Cc1ccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)s2)cc1,,GUNRMHMEAWSZQE-UHFFFAOYSA-N
BMGC_DG08978,BMG_DG145709,,,,
BMGC_DG08979,BMG_DG145711,,,,
BMGC_DG08980,BMG_DG145713,,,,
BMGC_DG08981,BMG_DG145714,CC(C)N1C[C@@H]2C[C@H]1CN2C3=CC=C(C=C3)NC4=NC=C(N5C4=NC=N5)C6=COC(=C6)C(=O)N,o1c(cc(c1)-c2cnc(c3n2ncn3)Nc4ccc(cc4)N5[C@@H]6CN([C@H](C5)C6)C(C)C)C(=O)N,"InChI=1S/C24H26N8O2/c1-14(2)30-10-19-8-18(30)11-31(19)17-5-3-16(4-6-17)29-23-24-27-13-28-32(24)20(9-26-23)15-7-21(22(25)33)34-12-15/h3-7,9,12-14,18-19H,8,10-11H2,1-2H3,(H2,25,33)(H,26,29)/t18-,19-/m0/s1",YBFGSJUVEOYPIS-OALUTQOASA-N
BMGC_DG08982,BMG_DG145716,C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N,c1(nc(c(cn1)C(=O)N)Nc2cc(ccc2)-n3nccn3)N[C@H]4[C@H](CCCC4)N,"InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1",TXGKRVFSSHPBAJ-JKSUJKDBSA-N
BMGC_DG08983,BMG_DG145717,CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F,O=S(c1c(F)cccc1F)(=O)Nc2cccc(-c3c(-c4ccnc(N)n4)sc(C(C)(C)C)n3)c2F,"InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)",BFSMGDJOXZAERB-UHFFFAOYSA-N
BMGC_DG08984,BMG_DG145718,,c1(cccc(n1)N2C(C(N(C2=S)c3cc(c(cc3)C#N)C(F)(F)F)=O)(C)C)S(=O)(=O)N,,JIIHFLNYGVNTFP-UHFFFAOYSA-N
BMGC_DG08985,BMG_DG145721,CN(C)[C@H]([C@H]1CCCC[C@H]1O)C2=CC(=CC=C2)O,C1C[C@@]([C@@H](CC1)O)([C@@H](N(C)C)c2cccc(c2)O)[H],"InChI=1S/C15H23NO2/c1-16(2)15(11-6-5-7-12(17)10-11)13-8-3-4-9-14(13)18/h5-7,10,13-15,17-18H,3-4,8-9H2,1-2H3/t13-,14+,15-/m0/s1",UVTLONZTPXCUPU-ZNMIVQPWSA-N
BMGC_DG08986,BMG_DG145722,,,,
BMGC_DG08987,BMG_DG145723,,,,
BMGC_DG08988,BMG_DG145727,,O=C(NCCCNc1c(cnc(n1)Nc2cc(ccc2)CN3CCOCC3)C4CC4)C5CCC5,,UKBGBACORPRCGG-UHFFFAOYSA-N
BMGC_DG08989,BMG_DG145732,,,,
BMGC_DG08990,BMG_DG145734,,,,
BMGC_DG08991,BMG_DG145735,CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)C,c1ccc2c(c1)c(cn2CCCCC)C(c3ccc(c4c3cccc4)C)=O,"InChI=1S/C25H25NO/c1-3-4-9-16-26-17-23(21-12-7-8-13-24(21)26)25(27)22-15-14-18(2)19-10-5-6-11-20(19)22/h5-8,10-15,17H,3-4,9,16H2,1-2H3",HUKJQMKQFWYIHS-UHFFFAOYSA-N
BMGC_DG08992,BMG_DG145739,CC1=CC(=C(C=C1)OC)NC(=O)NC2=NC3=C(S2)C=C(C=C3)NC4=NC=NC5=CC(=C(C=C54)OC)OCCCN6CCN(CC6)C,N(C(=O)Nc1sc2c(n1)ccc(c2)Nc3ncnc4cc(c(cc34)OC)OCCCN5CCN(CC5)C)c6c(ccc(c6)C)OC,"InChI=1S/C33H38N8O4S/c1-21-6-9-27(43-3)26(16-21)37-32(42)39-33-38-24-8-7-22(17-30(24)46-33)36-31-23-18-28(44-4)29(19-25(23)34-20-35-31)45-15-5-10-41-13-11-40(2)12-14-41/h6-9,16-20H,5,10-15H2,1-4H3,(H,34,35,36)(H2,37,38,39,42)",MAFACRSJGNJHCF-UHFFFAOYSA-N
BMGC_DG08993,BMG_DG145740,C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C,C=12[C@]3([C@]([C@]([C@@H](/C=C/[C@@H](C(C)C)C)C)([H])CC3)(C)CC[C@@]2([C@]4(CC[C@@H](CC4=CC1)O)C)[H])[H],"InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1",DNVPQKQSNYMLRS-APGDWVJJSA-N
BMGC_DG08994,BMG_DG145746,C[C@H]1CC2=C([C@]3(N1)C4=C(C=CC(=C4)Cl)NC3=O)NC5=CC(=C(C=C25)F)Cl,N1C([C@@]2(c3cc(ccc13)Cl)c4[nH]c5cc(c(cc5c4C[C@@H](N2)C)F)Cl)=O,"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1",CKLPLPZSUQEDRT-WPCRTTGESA-N
BMGC_DG08995,BMG_DG145747,,,,
BMGC_DG08996,BMG_DG145749,,,,
BMGC_DG08997,BMG_DG145750,C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=NCC(=O)O)NC3=CC=C(C=C3)C#N,c1ccccc1C(N/C(=N/CC(=O)O)/Nc2ccc(C#N)cc2)c3ccccc3,"InChI=1S/C23H20N4O2/c24-15-17-11-13-20(14-12-17)26-23(25-16-21(28)29)27-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,16H2,(H,28,29)(H2,25,26,27)",KGHMYJFHUHFOGL-UHFFFAOYSA-N
BMGC_DG08998,BMG_DG145755,,,,
BMGC_DG08999,BMG_DG145757,,,,
BMGC_DG09000,BMG_DG145758,C1=CC=C(C=C1)C[C@@H](C(=O)O)O,O[C@H](C(=O)O)Cc1ccccc1,"InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1",VOXXWSYKYCBWHO-QMMMGPOBSA-N
BMGC_DG09001,BMG_DG145762,,,,
BMGC_DG09002,BMG_DG145765,C1C[C@@H](N[C@@H]1CC2=CC=C(C=C2)NC(=O)[C@@H]3CCC4=NC=CC(=O)N34)[C@@H](C5=CC=CC=C5)O,C(Nc1ccc(cc1)C[C@H]2N[C@](CC2)([C@H](O)c3ccccc3)[H])(=O)[C@H]4n5c(CC4)nccc5=O,"InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1",DJXRIQMCROIRCZ-XOEOCAAJSA-N
BMGC_DG09003,BMG_DG145766,,,,
BMGC_DG09004,BMG_DG145768,,,,
BMGC_DG09005,BMG_DG145769,CC1=CC2=C(O1)C=CC(=C2)NC(=N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=CN=C(C=C5)C(=O)N(C)C,c1(ccc(cn1)C(=O)NC(=Nc2cc3cc(oc3cc2)C)N[C@@H]4C(N(CCCC4)CC(N5CCCC5)=O)=O)C(=O)N(C)C,"InChI=1S/C31H37N7O5/c1-20-16-22-17-23(10-12-26(22)43-20)33-31(35-28(40)21-9-11-24(32-18-21)29(41)36(2)3)34-25-8-4-5-15-38(30(25)42)19-27(39)37-13-6-7-14-37/h9-12,16-18,25H,4-8,13-15,19H2,1-3H3,(H2,33,34,35,40)/t25-/m0/s1",YLSKCQOVDOZHTQ-VWLOTQADSA-N
BMGC_DG09006,BMG_DG145772,CCOC1=NC=C(C=C1)C2=CC=C(C=C2)CN3C4=C(C=C(C=C4)OCC5=NC=C(C=C5)C)C(=C3CC(C)(C)C(=O)O)SC(C)(C)C,C(C(Cc1n(c2ccc(cc2c1SC(C)(C)C)OCc3ccc(cn3)C)Cc4ccc(cc4)-c5cnc(cc5)OCC)(C)C)(=O)O,"InChI=1S/C38H43N3O4S/c1-8-44-34-18-14-28(22-40-34)27-12-10-26(11-13-27)23-41-32-17-16-30(45-24-29-15-9-25(2)21-39-29)19-31(32)35(46-37(3,4)5)33(41)20-38(6,7)36(42)43/h9-19,21-22H,8,20,23-24H2,1-7H3,(H,42,43)",DFQGDHBGRSTTHX-UHFFFAOYSA-N
BMGC_DG09007,BMG_DG145774,C[C@H](/C=C(\C)/C=C/C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C,c1cc(C([C@@H](/C=C(/C=C/C(NO)=O)\C)C)=O)ccc1N(C)C,"InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1",RTKIYFITIVXBLE-QEQCGCAPSA-N
BMGC_DG09008,BMG_DG145777,,CCNC(c1ccccc1)(c2ccccc2)c3ccccc3,,KYBLIFDCMOAZIH-UHFFFAOYSA-N
BMGC_DG09009,BMG_DG145779,,,,
BMGC_DG09010,BMG_DG145781,C1CN(CCC1O)C(=O)[C@H](CC2=CC=C(C=C2)F)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl,[nH]1c(cc2cc(ccc12)Cl)C(=O)N[C@H](C(=O)N3CCC(CC3)O)Cc4ccc(cc4)F,"InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1",YDCGVASFVACWKF-NRFANRHFSA-N
BMGC_DG09011,BMG_DG145783,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[OH-].[Co+3],[Co+3].[OH-].[C@@]12(N=C(/C(=C/3N=C(/C=C/4N=C(/C(=C/5\[N-][C@@]1([C@@H]([C@]5(CCC(NC[C@H](OP(O[C@H]6[C@H]([C@@H](n7c8c(nc7)cc(c(c8)C)C)O[C@@H]6CO)O)([O-])=O)C)=O)C)CC(=O)N)[H])/C)[C@H](C4(C)C)CCC(=O)N)[C@H]([C@@]3(CC(=O)N)C)CCC(=O)N)/C)[C@H]([C@@]2(CC(=O)N)C)CCC(=O)N)C,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-3/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",YOZNUFWCRFCGIH-WZHZPDAFSA-K
BMGC_DG09012,BMG_DG145785,,,,
BMGC_DG09013,BMG_DG145789,,CS(=O)(=O)Nc1ccncc1Nc2ccccc2,,QOJPQADRTOBBQV-UHFFFAOYSA-N
BMGC_DG09014,BMG_DG145791,,,,
BMGC_DG09015,BMG_DG145792,,O=C(O)C(=O)Nc1cc2[nH]ccc2cc1C(=O)O,,AHWMERGBWWROMM-UHFFFAOYSA-N
BMGC_DG09016,BMG_DG145793,C1=CC=C(C(=C1)C(=O)O)NC(=O)C(=O)O,,"InChI=1S/C9H7NO5/c11-7(9(14)15)10-6-4-2-1-3-5(6)8(12)13/h1-4H,(H,10,11)(H,12,13)(H,14,15)",QBYNNSFEMMNINN-UHFFFAOYSA-N
BMGC_DG09017,BMG_DG145795,,,,
BMGC_DG09018,BMG_DG145797,,,,
BMGC_DG09019,BMG_DG145798,,c1cccc([C@@]2(CC(O)(C)C)CCN([C@@H](C)c3ccc(-c4ccn(C)c(=O)c4)cc3)C(=O)O2)c1,,TXNPQZGSVXLGGP-MMTVBGGISA-N
BMGC_DG09020,BMG_DG145801,,COc1c(cccc1)-n2c3n(cc2-c4c(ccc(c4)O)C)c5c(n3)n(C)c(=O)[nH]c5=O,,JTWMOWRMSZZHDR-UHFFFAOYSA-N
BMGC_DG09021,BMG_DG145802,,,,
BMGC_DG09022,BMG_DG145803,C1CCC(CC1)NCCCNCC2CCC(CC2)CNC3=NC(=CC(=N3)N4CCN(CC4)CCP(=O)(O)O)N,C1CCC(CC1)NCCCNC[C@@H]2CC[C@H](CC2)CNc3nc(cc(n3)N)N4CCN(CC4)CCP(O)(=O)O,"InChI=1S/C27H51N8O3P/c28-25-19-26(35-15-13-34(14-16-35)17-18-39(36,37)38)33-27(32-25)31-21-23-9-7-22(8-10-23)20-29-11-4-12-30-24-5-2-1-3-6-24/h19,22-24,29-30H,1-18,20-21H2,(H2,36,37,38)(H3,28,31,32,33)",QLVSJMZJSABWRX-UHFFFAOYSA-N;QLVSJMZJSABWRX-YHBQERECSA-N
BMGC_DG09023,BMG_DG145805,,O(C)[C@H]1[C@H](O)[C@H](O)[C@@H](O[C@H]1O)C,,YLAMTMNJXPWCQN-CXNFULCWSA-N
BMGC_DG09024,BMG_DG145806,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,C1(/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)=C(CCCC1(C)C)C,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+",SHGAZHPCJJPHSC-YCNIQYBTSA-N
BMGC_DG09025,BMG_DG145807,,[C@@H](Cc1ccccc1)(CC(O)=O)C(O)=O,,GTOFKXZQQDSVFH-SECBINFHSA-N
BMGC_DG09026,BMG_DG145809,CC1=C(C2=C(O1)C=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(=O)NC,o1c(c(c2c1cc(cc2)Oc3ncnc4cc(c(cc34)OC)OC)C(=O)NC)C,"InChI=1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)",BALLNEJQLSTPIO-UHFFFAOYSA-N
BMGC_DG09027,BMG_DG145811,,C(O)[C@@H]1[C@@H](O)[C@H](O)[C@H]([C@@H](O1)S)O,,JUSMHIGDXPKSID-DVKNGEFBSA-N
BMGC_DG09028,BMG_DG145814,,,,
BMGC_DG09029,BMG_DG145827,,,,
BMGC_DG09030,BMG_DG145829,,,,
BMGC_DG09031,BMG_DG145830,,,,
BMGC_DG09032,BMG_DG145831,,,,
BMGC_DG09033,BMG_DG145835,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,O[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1C)O,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m0/s1",SHZGCJCMOBCMKK-KGJVWPDLSA-N
BMGC_DG09034,BMG_DG145836,,[C@]12([C@](c3ccc4c(c3CC1)ccc(O)c4)(CCC2=O)[H])C,,PDRGHUMCVRDZLQ-WMZOPIPTSA-N
BMGC_DG09035,BMG_DG145838,,,,
BMGC_DG09036,BMG_DG145839,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,C1[C@](O)(C(=O)O)O[C@@]([H])([C@@H]([C@@H](CO)O)O)[C@H](NC(C)=O)[C@H]1O,"InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1",SQVRNKJHWKZAKO-YRMXFSIDSA-N
BMGC_DG09037,BMG_DG145840,,,,
BMGC_DG09038,BMG_DG145841,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,C(=O)(O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-",YZXBAPSDXZZRGB-DOFZRALJSA-N
BMGC_DG09039,BMG_DG145842,CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl,n1(c(n(CCCN2CCN(CC2)c3cc(Cl)ccc3)nc1CC)=O)CCOc4ccccc4,"InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3",VRBKIVRKKCLPHA-UHFFFAOYSA-N
BMGC_DG09040,BMG_DG145845,,,,
BMGC_DG09041,BMG_DG145846,,O=c1[nH]c(=O)n([C@@H]2O[C@@H]([C@H](C2)OP(=O)(O)O)CO)cc1C,,XXYIANZGUOSQHY-XLPZGREQSA-N
BMGC_DG09042,BMG_DG145848,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,Cc1cc2ncn([C@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2cc1C,"InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1",ZMRGXEJKZPRBPJ-SYQHCUMBSA-N
BMGC_DG09043,BMG_DG145849,,,,
BMGC_DG09044,BMG_DG145850,C(=C/C(=O)O)\C(=O)O,C(\C=C\C(=O)O)(=O)O,"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+",VZCYOOQTPOCHFL-OWOJBTEDSA-N
BMGC_DG09045,BMG_DG145853,CN1CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3,c12C(OCCN(Cc1cccc2)C)c3ccccc3,"InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3",RGPDEAGGEXEMMM-UHFFFAOYSA-N
BMGC_DG09046,BMG_DG145858,,,,
BMGC_DG09047,BMG_DG145859,,,,
BMGC_DG09048,BMG_DG145862,C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O,C([C@H]1NC(=O)N[C@H]1C)CCCCC(=O)O,"InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1",AUTOLBMXDDTRRT-JGVFFNPUSA-N
BMGC_DG09049,BMG_DG145863,,,,
BMGC_DG09050,BMG_DG145867,CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)OO2)O,O1[C@@H]2[C@H](C/C=C\CCCC(=O)O)[C@H]([C@H](O1)C2)/C=C/[C@H](CCCCC)O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1",YIBNHAJFJUQSRA-YNNPMVKQSA-N
BMGC_DG09051,BMG_DG145868,,[C@H]([C@@H](O)CO)([C@H]([C@@H](O)C)O)O,,SKCKOFZKJLZSFA-BXKVDMCESA-N
BMGC_DG09052,BMG_DG145869,,,,
BMGC_DG09053,BMG_DG145870,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,C1[C@@](O)(C(=O)O)O[C@@]([H])([C@@H]([C@@H](CO)O)O)[C@H](NC(C)=O)[C@H]1O,"InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1",SQVRNKJHWKZAKO-PFQGKNLYSA-N
BMGC_DG09054,BMG_DG145871,CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C,C(=C/CC/C(=C/CO)/C)(\CCC=C(C)C)/C,"InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+",CRDAMVZIKSXKFV-YFVJMOTDSA-N
BMGC_DG09055,BMG_DG145872,,,,
BMGC_DG09056,BMG_DG145873,,,,
BMGC_DG09057,BMG_DG145878,,,,
BMGC_DG09058,BMG_DG145883,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)O)O)O)O,C([C@H](NC([C@@H](NP(O[C@H]1[C@H](O)[C@H](O)[C@H]([C@@H](O1)C)O)(=O)O)CC(C)C)=O)C(O)=O)c2c3c([nH]c2)cccc3,"InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1",ZPHBZEQOLSRPAK-XLCYBJAPSA-N
BMGC_DG09059,BMG_DG145886,,O1C(=NC[C@@]1(COc2ccc(cc2)N3CCC(CC3)Oc4ccc(cc4)OC(F)(F)F)C)N,,YDAIKJSLITWSBP-JOCHJYFZSA-N
BMGC_DG09060,BMG_DG145888,C1CN2CCC1[C@H]([C@@H]2CC3=CN=CC=C3)NC(=O)C4=CC(=CC(=C4)F)F,C(N[C@H]1[C@H](Cc2cccnc2)N3CCC1CC3)(c4cc(cc(c4)F)F)=O,"InChI=1S/C20H21F2N3O/c21-16-9-15(10-17(22)11-16)20(26)24-19-14-3-6-25(7-4-14)18(19)8-13-2-1-5-23-12-13/h1-2,5,9-12,14,18-19H,3-4,6-8H2,(H,24,26)/t18-,19+/m0/s1",UAKZGMMGIMKFMV-RBUKOAKNSA-N
BMGC_DG09061,BMG_DG145895,C[C@](CC(=O)O)(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O,,"InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,19-,20-,21+,25-,27+/m1/s1",CABVTRNMFUVUDM-VRHQGPGLSA-N
BMGC_DG09062,BMG_DG145900,CC1=NN2C=C(C=NC2=C1)C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N,c12ncc(cn1nc(c2)C)C(=O)NCC(C)(C)NCC(=O)N3[C@@H](CCC3)C#N,"InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1",LDXYBEHACFJIEL-HNNXBMFYSA-N
BMGC_DG09063,BMG_DG145913,C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O,C(=C/c1ccc(cc1)O)\c2cc(O)cc(c2)O,"InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+",LUKBXSAWLPMMSZ-OWOJBTEDSA-N
BMGC_DG09064,BMG_DG145915,C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NC[C@H](C3)C,S(N[C@H](C(=O)N1[C@@H](C(O)=O)C[C@H](C)CC1)CCCNC(=N)N)(=O)(=O)c2c3c(ccc2)C[C@H](C)CN3,"InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15+,17+,18-/m1/s1",KXNPVXPOPUZYGB-MXSMSXNCSA-N
BMGC_DG09065,BMG_DG145916,C1CCN(CC1)C(=O)[C@@H](CC2=CC=C(C=C2)C(=N)N)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3,,"InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1",XXTWZTPVNIYSJZ-XMMPIXPASA-N
BMGC_DG09066,BMG_DG145923,CN(C)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6,N(c1ccc(-c2nc(N3CCOCC3)nc(N4CCOCC4)n2)cc1)C(Nc5ccc(C(N6CCC(N(C)C)CC6)=O)cc5)=O,"InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)",DWZAEMINVBZMHQ-UHFFFAOYSA-N
BMGC_DG09067,BMG_DG145924,C[C@](C1=CC=CC=C1)(C(=O)O[C@H]2C[N+]3(CCC2CC3)CCC4=CC=C(C=C4)F)N5CCCCC5,c1([C@@](C(O[C@@H]2C3CC[N+](CC3)(C2)CCc4ccc(cc4)F)=O)(N5CCCCC5)C)ccccc1,"InChI=1S/C29H38FN2O2/c1-29(25-8-4-2-5-9-25,31-17-6-3-7-18-31)28(33)34-27-22-32(20-15-24(27)16-21-32)19-14-23-10-12-26(30)13-11-23/h2,4-5,8-13,24,27H,3,6-7,14-22H2,1H3/q+1/t24?,27-,29-,32?/m0/s1",FNYFFCOCVNTJCD-NNMXADRKSA-N
BMGC_DG09068,BMG_DG145926,,,,
BMGC_DG09069,BMG_DG145932,CC1C(CCN1CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3OC)NC)Cl,,"InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)",KRVOJOCLBAAKSJ-UHFFFAOYSA-N
BMGC_DG09070,BMG_DG145934,,,,
BMGC_DG09071,BMG_DG145935,,C(n1cnc2c(ncnc21)N)[C@H](O)C,,MJZYTEBKXLVLMY-RXMQYKEDSA-N
BMGC_DG09072,BMG_DG145936,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@]3([C@@H]2C3)CO)O,[C@H]1(n2cc(c([nH]c2=O)=O)C)C[C@@H]([C@]3([C@@H]1C3)CO)O,"InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9+,12+/m1/s1",NOWRLNPOENZFHP-ARHDFHRDSA-N
BMGC_DG09073,BMG_DG145938,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,C(O)[C@@H]1[C@@H](O)[C@H](O)[C@H]([C@H](O1)O)F,"InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1",ZCXUVYAZINUVJD-UKFBFLRUSA-N
BMGC_DG09074,BMG_DG145940,COC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)O)O,,"InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3/t9-/m1/s1",GDNZNIJPBQATCZ-SECBINFHSA-N
BMGC_DG09075,BMG_DG145941,,,,
BMGC_DG09076,BMG_DG145942,CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",HOVAGTYPODGVJG-XUUWZHRGSA-N
BMGC_DG09077,BMG_DG145943,,,,
BMGC_DG09078,BMG_DG145944,,,,
BMGC_DG09079,BMG_DG145945,,,,
BMGC_DG09080,BMG_DG145953,CS(=O)(=O)CC[C@@H](C(=O)O)N,O=S(=O)(CC[C@@H](C(O)=O)N)C,"InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",UCUNFLYVYCGDHP-BYPYZUCNSA-N
BMGC_DG09081,BMG_DG145956,,,,
BMGC_DG09082,BMG_DG145966,,,,
BMGC_DG09083,BMG_DG145970,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O,,"InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1",KQMZYOXOBSXMII-CECATXLMSA-N
BMGC_DG09084,BMG_DG145971,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,C1(/C=C/C(=C/C=C/C(=C/CO)/C)/C)=C(CCCC1(C)C)C,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",FPIPGXGPPPQFEQ-OVSJKPMPSA-N
BMGC_DG09085,BMG_DG145976,,ONC(=O)CP(O)(O)=O,,LDKRAXXVBWHMRH-UHFFFAOYSA-N
BMGC_DG09086,BMG_DG145978,C1C[C@H](N(C1)CCCC(=O)O)COC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl,Clc1ccc(Oc2ccc(OC[C@H]3N(CCC3)CCCC(O)=O)cc2)cc1,"InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/m0/s1",PVCTYSQBVIGZRU-KRWDZBQOSA-N
BMGC_DG09087,BMG_DG145979,CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(C2=CC=C(C=C2)Cl)O)NC(=O)NCC(C)(C)O,N1(CC([C@@](CC1)(O)c2ccc(cc2)Cl)(C)C)C([C@@H](C(C)C)NC(=O)NCC(C)(C)O)=O,"InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1",GTDPZONCGOCXOD-JPYJTQIMSA-N
BMGC_DG09088,BMG_DG145982,CC1=CC=C(O1)C2=C3C(=NC(=N2)N)N(N=N3)CC4=NC(=CC=C4)CO[C@H]5CCOC5,c12c(nc(nc1n(nn2)Cc3cccc(n3)CO[C@H]4CCOC4)N)-c5oc(cc5)C,"InChI=1S/C20H21N7O3/c1-12-5-6-16(30-12)17-18-19(24-20(21)23-17)27(26-25-18)9-13-3-2-4-14(22-13)10-29-15-7-8-28-11-15/h2-6,15H,7-11H2,1H3,(H2,21,23,24)/t15-/m0/s1",KURQKNMKCGYWRJ-HNNXBMFYSA-N
BMGC_DG09089,BMG_DG145985,,,,
BMGC_DG09090,BMG_DG145986,,,,
BMGC_DG09091,BMG_DG145987,,n1c(nc(c2CCC3=C(c12)[C@@]4([C@](O3)(CCCC4)[H])[H])N5CCNCC5)N,,DJKJVWJQAVGLHJ-WCQYABFASA-N
BMGC_DG09092,BMG_DG145989,COC1=C(C=CC(=C1)N2C=NC3=C(C2=O)SC(=C3)C4=CC=C(C=C4)Cl)OC[C@@H](C5CC5)OP(=O)(O)O,O=c1c2c(cc(s2)-c3ccc(cc3)Cl)ncn1-c4cc(OC)c(cc4)OC[C@H](OP(=O)(O)O)C5CC5,"InChI=1S/C24H22ClN2O7PS/c1-32-20-10-17(8-9-19(20)33-12-21(14-2-3-14)34-35(29,30)31)27-13-26-18-11-22(36-23(18)24(27)28)15-4-6-16(25)7-5-15/h4-11,13-14,21H,2-3,12H2,1H3,(H2,29,30,31)/t21-/m0/s1",YDTUJCNTIMWHPJ-NRFANRHFSA-N
BMGC_DG09093,BMG_DG145990,,,,
BMGC_DG09094,BMG_DG145993,C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N,,"InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYSA-N
BMGC_DG09095,BMG_DG145994,CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)C2=CC(=CC(=C2)Cl)F,c1c(F)cc(Cl)cc1C(=O)NCC2CCN(CC2)CC(NC(C)(C)C)=O,"InChI=1S/C19H27ClFN3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)",JOCLITFYIMJMNK-UHFFFAOYSA-N
BMGC_DG09096,BMG_DG145996,,,,
BMGC_DG09097,BMG_DG146001,,O[C@@]1([C@@]2([H])NC(=O)SC2)O[C@H]3C[C@](OC(/C=C(\CC/C=C/C=C\[C@H](CC3)C)/C)=O)([H])C1,,DDVBPZROPPMBLW-IZGXTMSKSA-N
BMGC_DG09098,BMG_DG146004,,CC(C(=O)c1cc(cc(c1)Cl)Cl)NC(C)(C)C,,ZKFFJBXJJFDBJM-UHFFFAOYSA-N
BMGC_DG09099,BMG_DG146008,C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C,C1(N[C@@H](CCCNC(N)=N)C(N[C@H]([C@H](C)C(N[C@@H](C(O)=O)CCC(N(C(C(N[C@H](C)C(=O)N[C@H](C(N[C@H]([C@@H]1C)C(=O)O)=O)CC(C)C)=O)=C)C)=O)=O)/C=C/C(=C/[C@@H]([C@H](Cc2ccccc2)OC)C)/C)=O)=O,"InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1",ZYZCGGRZINLQBL-GWRQVWKTSA-N
BMGC_DG09100,BMG_DG146010,,,,
BMGC_DG09101,BMG_DG146011,CCS(=O)(=O)C1=NC=C2C(=C1)C=C(N2)C[C@](CC(C)(C)C3=C(C=C(C=C3)F)C(=O)N)(C(F)(F)F)O,CCS(c1cc2cc(C[C@@](C(F)(F)F)(CC(c3c(C(=O)N)cc(F)cc3)(C)C)O)[nH]c2cn1)(=O)=O,"InChI=1S/C23H25F4N3O4S/c1-4-35(33,34)19-8-13-7-15(30-18(13)11-29-19)10-22(32,23(25,26)27)12-21(2,3)17-6-5-14(24)9-16(17)20(28)31/h5-9,11,30,32H,4,10,12H2,1-3H3,(H2,28,31)/t22-/m0/s1",AUIFRJWXYUNPPV-QFIPXVFZSA-N
BMGC_DG09102,BMG_DG146012,,,,
BMGC_DG09103,BMG_DG146015,,,,
BMGC_DG09104,BMG_DG146016,,,,
BMGC_DG09105,BMG_DG146018,,,,
BMGC_DG09106,BMG_DG146019,,,,
BMGC_DG09107,BMG_DG146020,,,,
BMGC_DG09108,BMG_DG146024,,,,
BMGC_DG09109,BMG_DG146025,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC,P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(=O)(OCCN)O,"InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1",SLKDGVPOSSLUAI-PGUFJCEWSA-N
BMGC_DG09110,BMG_DG146028,,c12n(nc(n1)CCc3nc(cn3C)-c4ccccc4)c(ccc2C)C,,AZOOBRKWMCUHJL-UHFFFAOYSA-N
BMGC_DG09111,BMG_DG146030,,,,
BMGC_DG09112,BMG_DG146031,,,,
BMGC_DG09113,BMG_DG146032,CCC(=O)O[C@H](C1=CC=C(C=C1)F)C(=O)N2[C@@H](CC=N2)C(=O)NCC3=C(C=CC(=C3)Cl)N4C=NN=N4,C(CC)(=O)O[C@@H](C(=O)N1N=CC[C@H]1C(NCc2cc(Cl)ccc2-n3cnnn3)=O)c4ccc(cc4)F,"InChI=1S/C23H21ClFN7O4/c1-2-20(33)36-21(14-3-6-17(25)7-4-14)23(35)32-19(9-10-28-32)22(34)26-12-15-11-16(24)5-8-18(15)31-13-27-29-30-31/h3-8,10-11,13,19,21H,2,9,12H2,1H3,(H,26,34)/t19-,21+/m0/s1",YUHNXUAATAMVKD-PZJWPPBQSA-N
BMGC_DG09114,BMG_DG146034,,,,
BMGC_DG09115,BMG_DG146036,,,,
BMGC_DG09116,BMG_DG146045,,[C@@]1([C@@H]([C@@H](CO)O)O)([C@@H]([C@H](C=C(O1)C(O)=O)N)NC(C)=O)[H],,NKENBBIXEGPQLS-UFGQHTETSA-N
BMGC_DG09117,BMG_DG146051,,c1(nc2c(n1CCCCOC)cccc2)C(=O)N([C@@H]3CNC[C@@H](C3)C(=O)N4CCOCC4)CC(C)C,,RHIBAIKQWJNESW-YADHBBJMSA-N
BMGC_DG09118,BMG_DG146052,,c1(ccc2c(n1)oc(n2)-c3cc4c(nc3)n(cc4)C)F,,WYQHKOHCTMNFAU-UHFFFAOYSA-N
BMGC_DG09119,BMG_DG146053,,,,
BMGC_DG09120,BMG_DG146054,C([C@@H]1[C@H]([C@@H]([C@@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,C(OP(=O)(O)O)[C@]1(O)O[C@@H]([C@H]([C@@H]1O)O)COP(=O)(O)O,"InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1",RNBGYGVWRKECFJ-ZXXMMSQZSA-N
BMGC_DG09121,BMG_DG146057,,c1(c(cc(cc1)C[C@@H](C(=O)N[C@H]2CCCCc3c2cc(c(c3)OCC4CCCCC4)C(=O)N)NC(=O)C)P(O)(O)=O)P(O)(O)=O,,SPSGYTWOIGAABK-DQEYMECFSA-N
BMGC_DG09122,BMG_DG146063,,,,
BMGC_DG09123,BMG_DG146064,,C(c1ccc(cc1)/C=C/C(c2cc3C(CCC(c3cc2)(C)C)(C)C)=O)(=O)O,,ZXQHMEUGMCXKLO-KPKJPENVSA-N
BMGC_DG09124,BMG_DG146065,C1=CC=NC(=C1)C#CCCC2=CN3C=C(C=CC3=N2)F,Fc1cn2c(cc1)nc(c2)CCC#Cc3ncccc3,"InChI=1S/C16H12FN3/c17-13-8-9-16-19-15(12-20(16)11-13)7-2-1-5-14-6-3-4-10-18-14/h3-4,6,8-12H,2,7H2",LZXMUJCJAWVHPZ-UHFFFAOYSA-N
BMGC_DG09125,BMG_DG146067,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O,C(/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(O)=O)C,"InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-",MBMBGCFOFBJSGT-KUBAVDMBSA-N
BMGC_DG09126,BMG_DG146081,C[C@@]12CC[C@@]3([C@@]([C@]1(CC4=C(O2)C=C(OC4=O)C5=CC6=C(C(=C5)OC)OCO6)O)(C(=O)C=CC3(C)C)C)O,,"InChI=1S/C28H30O9/c1-24(2)7-6-21(29)26(4)27(24,31)9-8-25(3)28(26,32)13-16-18(37-25)12-17(36-23(16)30)15-10-19(33-5)22-20(11-15)34-14-35-22/h6-7,10-12,31-32H,8-9,13-14H2,1-5H3/t25-,26+,27-,28-/m1/s1",LCJHAHVVYAVVPA-JUDWXZBOSA-N
BMGC_DG09127,BMG_DG146090,CCCCCCCC(C)C/C=C(\C)/C=C/C(=O)C(C)CCC1C(C(=O)NC(=C)C(=O)NC[C@@H](C(=O)N[C@H](C(=O)O1)CC(C(=O)N)OS(=O)(=O)O)C)C,,"InChI=1S/C36H58N4O11S/c1-8-9-10-11-12-13-22(2)14-15-23(3)16-18-29(41)24(4)17-19-30-26(6)34(44)39-27(7)35(45)38-21-25(5)33(43)40-28(36(46)50-30)20-31(32(37)42)51-52(47,48)49/h15-16,18,22,24-26,28,30-31H,7-14,17,19-21H2,1-6H3,(H2,37,42)(H,38,45)(H,39,44)(H,40,43)(H,47,48,49)/b18-16+,23-15+/t22?,24?,25-,26?,28-,30?,31?/m0/s1",XLDIAUNLPWGNHO-NUPNHORYSA-N
BMGC_DG09128,BMG_DG146091,CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C,C(Oc1cc([N+](C)(C)C)ccc1)(N(C)C)=O,"InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1",ALWKGYPQUAPLQC-UHFFFAOYSA-N
BMGC_DG09129,BMG_DG146095,CC1=CC=C(C=C1)C2=NOC(=C2)[C@H]3[C@H](CC4CCC3N4C)C5=CC=C(C=C5)Cl,,"InChI=1S/C24H25ClN2O/c1-15-3-5-17(6-4-15)21-14-23(28-26-21)24-20(16-7-9-18(25)10-8-16)13-19-11-12-22(24)27(19)2/h3-10,14,19-20,22,24H,11-13H2,1-2H3/t19?,20-,22?,24+/m1/s1",AUXUFNHAVGIVDC-DXTSEPBQSA-N
BMGC_DG09130,BMG_DG146102,,c1(cc2c(cc1)n(c(n2)Cc3ccc(cc3)OCC)CC4CCCCC4)C(N(CC)CC)=O,,WRVZBXHTUOPQJS-UHFFFAOYSA-N
BMGC_DG09131,BMG_DG146110,CC(=CC[C@H](CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=CC=C3O)C(=C)C)C,C([C@@H](CC=C(C)C)C(C)=C)c1c2c(C(=O)C[C@H](O2)c3c(O)cccc3)c(O)cc1O,"InChI=1S/C25H28O5/c1-14(2)9-10-16(15(3)4)11-18-20(27)12-21(28)24-22(29)13-23(30-25(18)24)17-7-5-6-8-19(17)26/h5-9,12,16,23,26-28H,3,10-11,13H2,1-2,4H3/t16-,23+/m1/s1",OGBMVWVBHWHRGD-MWTRTKDXSA-N
BMGC_DG09132,BMG_DG146111,,,,
BMGC_DG09133,BMG_DG146113,,C(=C/c1cc(O)cc(O)c1)\c2cc(OC)c(OC)cc2,,WHKSEHKYYXHCTA-ONEGZZNKSA-N
BMGC_DG09134,BMG_DG146114,CCCCCC/C=C\CCCCCCCC(=O)O,CCCCCC/C=C\CCCCCCCC(O)=O,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",SECPZKHBENQXJG-FPLPWBNLSA-N
BMGC_DG09135,BMG_DG146116,CCCCCCCC/C=C\CCCCCCCC(=O)O,CCCCCCCC/C=C\CCCCCCCC(=O)O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",ZQPPMHVWECSIRJ-KTKRTIGZSA-N
BMGC_DG09136,BMG_DG146118,C1=C(C=C(C(=C1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N,c1(c(c(NC(C(=O)O)=O)cc(C#N)c1)Cl)NC(C(=O)O)=O,"InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)",RVGLGHVJXCETIO-UHFFFAOYSA-N
BMGC_DG09137,BMG_DG146121,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])S[C@H]3C[C@@H](O[C@@H]3COP(=O)([O-])S[C@H]4C[C@@H](O[C@@H]4COP(=O)([O-])S[C@H]5C[C@@H](O[C@@H]5COP(=O)([O-])S[C@H]6C[C@@H](O[C@@H]6COP(=O)([O-])S[C@H]7C[C@@H](O[C@@H]7COP(=O)([O-])S[C@H]8C[C@@H](O[C@@H]8COP(=O)([O-])S[C@H]9C[C@@H](O[C@@H]9COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=C(C(=NC1=O)N)C)COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=C(C(=O)NC1=O)C)COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=C(C(=NC1=O)N)C)COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=C(C(=NC1=O)N)C)COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=NC2=C1N=C(NC2=O)N)CO)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=NC1=O)N)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=NC1=O)N)C)SP(=O)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)SP(=O)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=NC1=O)N)C)SP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OCCOC)SP(=O)([O-])OC[C@H]1[C@@H]([C@@H]([C@H](O1)N1C=C(C(=NC1=O)N)C)OCCOC)SP(=O)([O-])OC[C@H]1[C@@H]([C@@H]([C@H](O1)N1C=NC2=C(N=CN=C21)N)OCCOC)SP(=O)([O-])OC[C@H]1[C@@H]([C@@H]([C@H](O1)N1C=C(C(=NC1=O)N)C)OCCOC)SP(=O)([O-])OC[C@H]1[C@@H]([C@@H]([C@H](O1)N1C=C(C(=NC1=O)N)C)OCCOC)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],,"InChI=1S/C230H324N67O122P19S19.19Na/c1-97-55-278(217(309)256-177(97)231)141-45-131(112(400-141)70-381-422(327,328)442-136-50-146(283-66-108(12)196(302)275-228(283)320)406-118(136)76-387-427(337,338)448-140-54-150(294-93-253-154-191(294)266-214(243)270-200(154)306)409-120(140)78-389-428(339,340)446-138-52-148(292-91-250-151-186(240)246-89-248-188(151)292)407-121(138)79-390-430(343,344)450-169-124(413-204(160(169)373-37-27-363-17)286-59-101(5)181(235)260-221(286)313)83-394-435(353,354)455-174-128(417-209(165(174)378-42-32-368-22)291-68-110(14)198(304)277-230(291)322)87-396-434(351,352)453-172-126(415-207(163(172)376-40-30-366-20)289-62-104(8)184(238)263-224(289)316)85-395-433(349,350)452-171-123(412-206(162(171)375-39-29-365-19)288-61-103(7)183(237)262-223(288)315)82-393-432(347,348)449-168-111(69-298)410-211(159(168)372-36-26-362-16)296-95-254-155-192(296)267-215(244)271-201(155)307)439-420(323,324)384-74-117-137(51-147(405-117)284-67-109(13)197(303)276-229(284)321)444-425(333,334)388-77-119-139(53-149(408-119)293-92-252-153-190(293)265-213(242)269-199(153)305)447-426(335,336)386-71-113-132(46-142(401-113)279-56-98(2)178(232)257-218(279)310)440-421(325,326)383-73-115-135(49-145(403-115)282-65-107(11)195(301)274-227(282)319)443-424(331,332)385-75-116-134(48-144(404-116)281-64-106(10)194(300)273-226(281)318)441-423(329,330)382-72-114-133(47-143(402-114)280-57-99(3)179(233)258-219(280)311)445-429(341,342)392-81-129-176(167(380-44-34-370-24)212(419-129)297-96-255-156-193(297)268-216(245)272-202(156)308)457-438(359,360)398-86-127-173(164(377-41-31-367-21)208(416-127)290-63-105(9)185(239)264-225(290)317)454-436(355,356)399-88-130-175(166(379-43-33-369-23)210(418-130)295-94-251-152-187(241)247-90-249-189(152)295)456-437(357,358)397-84-125-170(161(374-38-28-364-18)205(414-125)287-60-102(6)182(236)261-222(287)314)451-431(345,346)391-80-122-157(299)158(371-35-25-361-15)203(411-122)285-58-100(4)180(234)259-220(285)312;;;;;;;;;;;;;;;;;;;/h55-68,89-96,111-150,157-176,203-212,298-299H,25-54,69-88H2,1-24H3,(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H,353,354)(H,355,356)(H,357,358)(H,359,360)(H2,231,256,309)(H2,232,257,310)(H2,233,258,311)(H2,234,259,312)(H2,235,260,313)(H2,236,261,314)(H2,237,262,315)(H2,238,263,316)(H2,239,264,317)(H2,240,246,248)(H2,241,247,249)(H,273,300,318)(H,274,301,319)(H,275,302,320)(H,276,303,321)(H,277,304,322)(H3,242,265,269,305)(H3,243,266,270,306)(H3,244,267,271,307)(H3,245,268,272,308);;;;;;;;;;;;;;;;;;;/q;19*+1/p-19/t111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122+,123-,124-,125+,126-,127+,128-,129-,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,157+,158+,159-,160-,161+,162-,163-,164+,165-,166+,167-,168-,169-,170+,171-,172-,173+,174-,175+,176-,203+,204-,205+,206-,207-,208+,209-,210+,211-,212-;;;;;;;;;;;;;;;;;;;/m1.................../s1",OSGPYAHSKOGBFY-KMHHXCEHSA-A
BMGC_DG09138,BMG_DG146124,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,[C@]12(C(C(N3[C@](C(O[C@](/C(=C/[C@]4(C[C@@H](OC)[C@@H](CC4)O)[H])/C)([C@@H]([C@H](CC([C@@H](/C=C(/C[C@@H](C[C@@H]([C@](O1)([H])[C@H](C[C@H]2C)OC)OC)C)\C)CC=C)=O)O)C)[H])=O)(CCCC3)[H])=O)=O)O,"InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1",QJJXYPPXXYFBGM-LFZNUXCKSA-N
BMGC_DG09139,BMG_DG146125,,,,
BMGC_DG09140,BMG_DG146126,,[C@H](C(N[C@H]([C@H](C[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](Cc1ccccc1)C(O)=O)=O)CCC(O)=O)=O)C)=O)C)O)CC(C)C)=O)(NC([C@@H](NC([C@H](CCC(O)=O)N)=O)C(C)C)=O)CC(N)=O,,NIOCOJFPGCXNKL-ZKZXETMPSA-N
BMGC_DG09141,BMG_DG146127,,,,
BMGC_DG09142,BMG_DG146128,,,,
BMGC_DG09143,BMG_DG146136,,C(C)(C)(O)[C@H]1CCC(CO)=CC1,,XYKGEKWHBMLSGS-SECBINFHSA-N
BMGC_DG09144,BMG_DG146140,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,,"InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1",LFTYTUAZOPRMMI-CFRASDGPSA-N
BMGC_DG09145,BMG_DG146151,,N[C@@H](Cc1ccccc1)C(=O)N,,OBSIQMZKFXFYLV-QMMMGPOBSA-N
BMGC_DG09146,BMG_DG146152,,N[C@H](C(N)=O)Cc1c[nH]cn1,,UMMQVDUMUMBTAV-YFKPBYRVSA-N
BMGC_DG09147,BMG_DG146157,,,,
BMGC_DG09148,BMG_DG146159,,n1c(c(c(c2ccccc12)C(=O)N[C@H](c3ccccc3)C4CC4)CN(S(=O)(=O)C)C)-c5ccccc5,,YTXUTYGRBYCUIL-HHHXNRCGSA-N
BMGC_DG09149,BMG_DG146160,COC1=CC(=C2C(=C1)C=C(O2)C3CCNCC3)Br,O(C)c1cc(c2oc(cc2c1)C3CCNCC3)Br,"InChI=1S/C14H16BrNO2/c1-17-11-6-10-7-13(9-2-4-16-5-3-9)18-14(10)12(15)8-11/h6-9,16H,2-5H2,1H3",WZXHSWVDAYOFPE-UHFFFAOYSA-N
BMGC_DG09150,BMG_DG146161,CC(=CCC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)C,O(P(O)(=O)OP(O)(=O)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C,"InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+",VWFJDQUYCIWHTN-YFVJMOTDSA-N
BMGC_DG09151,BMG_DG146162,,,,
BMGC_DG09152,BMG_DG146163,,,,
BMGC_DG09153,BMG_DG146164,,,,
BMGC_DG09154,BMG_DG146165,,,,
BMGC_DG09155,BMG_DG146167,,,,
BMGC_DG09156,BMG_DG146168,,C(NC1CCCC1)(=O)Oc2cc(cc(c2)-c3ccccc3)-c4ccccc4,,YNYOWRRXJIPCGX-UHFFFAOYSA-N
BMGC_DG09157,BMG_DG146169,,,,
BMGC_DG09158,BMG_DG146171,,Nc1ncnc2c1nc(Br)n2C3CCCCC3,,IVKXIMVGTFMPDF-UHFFFAOYSA-N
BMGC_DG09159,BMG_DG146172,,[C@@H]([C@@H]([C@H](C)O)O)([C@@H](CO)O)O,,SKCKOFZKJLZSFA-KCDKBNATSA-N
BMGC_DG09160,BMG_DG146173,,,,
BMGC_DG09161,BMG_DG146179,,,,
BMGC_DG09162,BMG_DG146186,,,,
BMGC_DG09163,BMG_DG146196,C1=CC(=CC=C1C(=O)NCC2=C(C(=C(C(=C2F)F)F)F)F)S(=O)(=O)N,c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N,"InChI=1S/C14H9F5N2O3S/c15-9-8(10(16)12(18)13(19)11(9)17)5-21-14(22)6-1-3-7(4-2-6)25(20,23)24/h1-4H,5H2,(H,21,22)(H2,20,23,24)",LRKSHOLYETXPGY-UHFFFAOYSA-N
BMGC_DG09164,BMG_DG146197,COC1=C(C=CC(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)c2ccc(CO)cc2OC,"InChI=1S/C14H20O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-4,10-19H,5-6H2,1H3/t10-,11-,12+,13-,14-/m1/s1",SIMPNXWTAVEOTO-RKQHYHRCSA-N
BMGC_DG09165,BMG_DG146201,,C(C(C(=O)O)Oc1ccc(cc1)C[C@@H](C(NCCCCC)=O)NC(=O)N[C@@H](Cc2ccccc2)C(=O)O)(=O)O,,BKONADSQADEJJP-SFTDATJTSA-N
BMGC_DG09166,BMG_DG146202,,,,
BMGC_DG09167,BMG_DG146208,C1[C@H]2[C@@H]1[C@H]([C@H]([C@@H]2N3C=NC4=C(N=C(N=C43)Cl)NCC5=CC(=CC=C5)I)O)O,,"InChI=1S/C18H17ClIN5O2/c19-18-23-16(21-6-8-2-1-3-9(20)4-8)12-17(24-18)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1",GSPXPSPDVBRJRV-JHOKLZQASA-N
BMGC_DG09168,BMG_DG146212,,c12c([C@]3([C@](C(O1)(C)C)(CCC(=C3)C)[H])[H])c(cc(c2)C(CCCCC)(C)C)OC,,PUBXDTLETUTKIJ-WOJBJXKFSA-N
BMGC_DG09169,BMG_DG146217,,,,
BMGC_DG09170,BMG_DG146219,,,,
BMGC_DG09171,BMG_DG146220,,C1(CCN(CC1)CCc2ccc(cc2)F)[C@H](c3c(c(OCCF)ccc3)OC)O,,QCFZUTYIUYQTPW-JOCHJYFZSA-N
BMGC_DG09172,BMG_DG146221,CN1C=C(C2=CC3=C(C=C21)OCO3)C4=C(C(=O)NC4=O)C5=COC6=C5C=C(C=C6)F,N1C(C(=C(C1=O)c2cn(c3cc4c(cc23)OCO4)C)c5coc6c5cc(cc6)F)=O,"InChI=1S/C22H13FN2O5/c1-25-7-13(11-5-17-18(6-15(11)25)30-9-29-17)19-20(22(27)24-21(19)26)14-8-28-16-3-2-10(23)4-12(14)16/h2-8H,9H2,1H3,(H,24,26,27)",FARXPFGGGGLENU-UHFFFAOYSA-N
BMGC_DG09173,BMG_DG146224,,,,
BMGC_DG09174,BMG_DG146227,,,,
BMGC_DG09175,BMG_DG146229,,,,
BMGC_DG09176,BMG_DG146234,,,,
BMGC_DG09177,BMG_DG146235,,,,
BMGC_DG09178,BMG_DG146236,,,,
BMGC_DG09179,BMG_DG146237,COC1=C(C=CC(=C1)/C=C/C(=O)O)O,C(=C/C(=O)O)\c1cc(OC)c(cc1)O,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",KSEBMYQBYZTDHS-HWKANZROSA-N
BMGC_DG09180,BMG_DG146238,,[C@@]12(CN(C[C@@]2([C@H]1CO)[H])Cc3ccc(cc3)-c4cc5c(ncnc5cc4)Nc6cc(c(cc6)Oc7ccccc7)OC)[H],,WZZXMNBOPNKKSX-BKHFGAQXSA-N
BMGC_DG09181,BMG_DG146241,,,,
BMGC_DG09182,BMG_DG146247,C[C@@H](C1=CC(=CC=C1)O)N(C)C,c1(O)cccc([C@@H](N(C)C)C)c1,"InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1",GQZXRLWUYONVCP-QMMMGPOBSA-N
BMGC_DG09183,BMG_DG146253,B1(C2=C(CO1)C=C(C=C2)OC3=CC=C(C=C3)C#N)O,N#Cc1ccc(Oc2ccc3B(O)OCc3c2)cc1,"InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2",USZAGAREISWJDP-UHFFFAOYSA-N
BMGC_DG09184,BMG_DG146255,,s1c(cc2c1cc(O)cc2)-c3ccc(O)cc3,,MDGWZLQPNOETLH-UHFFFAOYSA-N
BMGC_DG09185,BMG_DG146256,,c1ccc2cc(CCN3CCNCC3)ccc2c1,,MXNHEKIHSVXJPG-UHFFFAOYSA-N
BMGC_DG09186,BMG_DG146258,CCNCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N,C(C(C)(C)O)n1c2c3c(nc(c2nc1CNCC)N)cccc3,"InChI=1S/C17H23N5O/c1-4-19-9-13-21-14-15(22(13)10-17(2,3)23)11-7-5-6-8-12(11)20-16(14)18/h5-8,19,23H,4,9-10H2,1-3H3,(H2,18,20)",FHJATBIERQTCTN-UHFFFAOYSA-N
BMGC_DG09187,BMG_DG146261,[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,O1[C@@H]([C@@H]([C@H]([C@H]([C@H]1C(=O)O)O)O)O)O,"InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1",AEMOLEFTQBMNLQ-BKBMJHBISA-N
BMGC_DG09188,BMG_DG146265,CC[C@@H](C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CN(C4=CC=CC=C43)OC)CCCCCC(=O)CC,,"InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26+,27+,29-,30+/m1/s1",JWOGUUIOCYMBPV-VWIQTCEGSA-N
BMGC_DG09189,BMG_DG146267,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,C(O)[C@H]1[C@H](O)[C@H]([C@@H](O1)O)O,"InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m0/s1",HMFHBZSHGGEWLO-QMKXCQHVSA-N
BMGC_DG09190,BMG_DG146270,,,,
BMGC_DG09191,BMG_DG146271,,N1(CCC(CC1)N2C(Nc3c(cccc3C2)F)=O)C(=O)N[C@@H](C(=O)N4CCC(CC4)N5CCCCC5)Cc6cc7cn[nH]c7c(c6)C,,HBOINTMVWRSZQS-SSEXGKCCSA-N
BMGC_DG09192,BMG_DG146272,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@H]([C@@H]2O)O)O)O)O)N)O)O)O,,"InChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/t2-,3-,4-,5-,6?,7-,8-,9-,10+,11?,12-/m1/s1",HEPUIGACZYVUCD-PGVKBZDESA-N
BMGC_DG09193,BMG_DG146276,,,,
BMGC_DG09194,BMG_DG146281,,,,
BMGC_DG09195,BMG_DG146282,CCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)C(=O)N,N(c1c(C(N)=O)cnc(Nc2ccc(N3CCN(S(CC)(=O)=O)CC3)cc2)n1)C4CC4,"InChI=1S/C20H27N7O3S/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25)",BGLPECHZZQDNCD-UHFFFAOYSA-N
BMGC_DG09196,BMG_DG146283,,,,
BMGC_DG09197,BMG_DG146284,,,,
BMGC_DG09198,BMG_DG146285,,,,
BMGC_DG09199,BMG_DG146286,,,,
BMGC_DG09200,BMG_DG146287,,,,
BMGC_DG09201,BMG_DG146288,C[C@H]1CN(CCN1C(=O)C2=C(N=CC=C2)C)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F,C(=O)(N1[C@H](CN(CC1)S(=O)(=O)c2ccc(cc2)C(F)(F)F)C)c3c(nccc3)C,"InChI=1S/C19H20F3N3O3S/c1-13-12-24(10-11-25(13)18(26)17-4-3-9-23-14(17)2)29(27,28)16-7-5-15(6-8-16)19(20,21)22/h3-9,13H,10-12H2,1-2H3/t13-/m0/s1",BLFJGFDZMABYMY-ZDUSSCGKSA-N
BMGC_DG09202,BMG_DG146294,,,,
BMGC_DG09203,BMG_DG146295,,C1CCC(CC1)COc2c3c(cc(N)n2)[nH]cn3,,VPUIDVRYMVIXGO-UHFFFAOYSA-N
BMGC_DG09204,BMG_DG146301,,,,
BMGC_DG09205,BMG_DG146302,,,,
BMGC_DG09206,BMG_DG146303,,,,
BMGC_DG09207,BMG_DG146306,,,,
BMGC_DG09208,BMG_DG146307,,,,
BMGC_DG09209,BMG_DG146308,CCC1=C(C=CC(=C1)/C(=N/OCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)/C)CN4CC(C4)C(=O)O,C1CC(CCC1)c2ccc(cc2C(F)(F)F)CO/N=C(\C)/c3ccc(c(c3)CC)CN4CC(C4)C(=O)O,"InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+",KIHYPELVXPAIDH-HNSNBQBZSA-N
BMGC_DG09210,BMG_DG146309,,,,
BMGC_DG09211,BMG_DG146312,CC(=CCC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)C,O(C/C=C(/CCC=C(C)C)\C)P(OP(O)(=O)O)(=O)O,"InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+",GVVPGTZRZFNKDS-JXMROGBWSA-N
BMGC_DG09212,BMG_DG146313,CN(C)CCN(C)C(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C3=NC4=C(C=CN4CC(F)(F)F)C(=N3)N5CCOCC5,,"InChI=1S/C31H35F3N8O3/c1-39(2)14-15-40(3)29(43)22-6-10-24(11-7-22)36-30(44)35-23-8-4-21(5-9-23)26-37-27(41-16-18-45-19-17-41)25-12-13-42(28(25)38-26)20-31(32,33)34/h4-13H,14-20H2,1-3H3,(H2,35,36,44)",GMASZVAHNYVURN-UHFFFAOYSA-N
BMGC_DG09213,BMG_DG146314,CC(C)CNCC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N3CCCC3,C(C(C)C)NCc1ccc(cc1)-c2c(cccc2)S(=O)(=O)N3CCCC3,"InChI=1S/C21H28N2O2S/c1-17(2)15-22-16-18-9-11-19(12-10-18)20-7-3-4-8-21(20)26(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3",OWVIKBRKPCTDEP-UHFFFAOYSA-N
BMGC_DG09214,BMG_DG146319,C1=CC(=CC=C1[C@H](CC(=O)O)CN)Cl,C(C[C@@H](c1ccc(cc1)Cl)CN)(=O)O,"InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m1/s1",KPYSYYIEGFHWSV-MRVPVSSYSA-N
BMGC_DG09215,BMG_DG146327,C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)/C=N/NC(=O)CCCCCCC(=O)NO,,"InChI=1S/C27H30N4O3/c32-26(15-9-1-2-10-16-27(33)30-34)29-28-21-22-17-19-25(20-18-22)31(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,17-21,34H,1-2,9-10,15-16H2,(H,29,32)(H,30,33)/b28-21+",KXWWYFKVBFUVIZ-SGWCAAJKSA-N
BMGC_DG09216,BMG_DG146328,,,,
BMGC_DG09217,BMG_DG146329,C1=CC(=CC=C1[C@@H](CC(=O)O)CN)Cl,C(C[C@H](c1ccc(cc1)Cl)CN)(=O)O,"InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1",KPYSYYIEGFHWSV-QMMMGPOBSA-N
BMGC_DG09218,BMG_DG146332,,,,
BMGC_DG09219,BMG_DG146342,CC1(CN(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC4=NC(=NN43)NC(=O)C5CC5)C,C1(CC1)C(=O)Nc2nn3c(cccc3n2)-c4ccc(cc4)C(=O)N5CC(C5)(C)C,"InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)",MPYACSQFXVMWNO-UHFFFAOYSA-N
BMGC_DG09220,BMG_DG146345,CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCC[C@@H]7C[C@H]7OC(=O)N1,n1c2c(nc3ccc(cc13)OC)CCCCC[C@]4([C@](OC(N[C@H](C(N5[C@@H](C[C@@](O2)(C5)[H])C(=O)N[C@]6([C@](C6)([H])C=C)C(=O)NS(C7CC7)(=O)=O)=O)C(C)(C)C)=O)(C4)[H])[H],"InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1",OBMNJSNZOWALQB-NCQNOWPTSA-N
BMGC_DG09221,BMG_DG146346,CC1=CC=C(C(=O)N1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C=C5C(=C4)C=NN5C)C6=CNN=C6)F,c1[nH]ncc1-c2cc3c(cc2Oc4ccc(NC(c5ccc(n(c5=O)-c6ccc(cc6)F)C)=O)cc4F)cnn3C,"InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)",QHADVLVFMKEIIP-UHFFFAOYSA-N
BMGC_DG09222,BMG_DG146347,,,,
BMGC_DG09223,BMG_DG146348,C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1S(=O)(=O)[O-],,"InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)/p-2",FITZJYAVATZPMJ-UHFFFAOYSA-L
BMGC_DG09224,BMG_DG146349,,N([C@H](C(=O)O)Cc1ccccc1)C(N)=O,,IPWQOZCSQLTKOI-QMMMGPOBSA-N
BMGC_DG09225,BMG_DG146350,,,,
BMGC_DG09226,BMG_DG146354,CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C(=C3CCC(=O)O)C)CCC(=O)O.O.[Fe+2],,"InChI=1S/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+2;/p-2",CODDGSIFXYHHJO-UHFFFAOYSA-L
BMGC_DG09227,BMG_DG146360,CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC(=C4)NC(=O)C=C)Cl)OC,Clc1c(nc(nc1)Nc2c(cc(cc2)N3CCN(CC3)C)OC)Oc4cc(ccc4)NC(C=C)=O,"InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)",ITTRLTNMFYIYPA-UHFFFAOYSA-N
BMGC_DG09228,BMG_DG146366,C1COC2=C(N1C(=O)C3=CC(=C(C(=C3)Br)O)Br)C=NC=C2,C(=O)(N1c2c(OCC1)ccnc2)c3cc(Br)c(c(c3)Br)O,"InChI=1S/C14H10Br2N2O3/c15-9-5-8(6-10(16)13(9)19)14(20)18-3-4-21-12-1-2-17-7-11(12)18/h1-2,5-7,19H,3-4H2",ZMVGQIIOXCGAFV-UHFFFAOYSA-N
BMGC_DG09229,BMG_DG146368,,n12c(nc(c(c1=O)CCN3CCC(c4noc5c4ccc(F)c5)CC3)C)C(=O)CCC2,,AUSFXKQDZJPCTA-UHFFFAOYSA-N
BMGC_DG09230,BMG_DG146369,,,,
BMGC_DG09231,BMG_DG146370,,C(\c1c(c(OC(C)C)ccc1)N2C[C@H](N)CCC2)=C/3\SC(NC3=O)=O,,ULMRMVZQMKZWKJ-MLJKTZRHSA-N
BMGC_DG09232,BMG_DG146374,CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CN=C(N)N,c1(NC(c2n(cc(c2)NC(CNC(N)=N)=O)C)=O)cc(n(C)c1)C(NCCC(N)=N)=O,"InChI=1S/C18H26N10O3/c1-27-9-11(6-12(27)16(30)23-4-3-14(19)20)26-17(31)13-5-10(8-28(13)2)25-15(29)7-24-18(21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H3,19,20)(H,23,30)(H,25,29)(H,26,31)(H4,21,22,24)",IDBIFFKSXLYUOT-UHFFFAOYSA-N
BMGC_DG09233,BMG_DG146375,,,,
BMGC_DG09234,BMG_DG146385,,,,
BMGC_DG09235,BMG_DG146387,,c1(nc2c(c(n1)N(C)c3ccc(cc3)OC)cc(o2)C)C,,KVMLMFRXRZLEGU-UHFFFAOYSA-N
BMGC_DG09236,BMG_DG146390,,,,
BMGC_DG09237,BMG_DG146392,C(CN=C(N)NO)[C@@H](C(=O)O)N,C([C@H](CCNC(NO)=N)N)(=O)O,"InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1",KOBHCUDVWOTEKO-VKHMYHEASA-N
BMGC_DG09238,BMG_DG146393,,OC[C@@H](O)Cc1ccccc1,,JHWQMXKQJVAWKI-VIFPVBQESA-N
BMGC_DG09239,BMG_DG146396,,,,
BMGC_DG09240,BMG_DG146401,,,,
BMGC_DG09241,BMG_DG146405,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F,C(=C/[C@H](C[C@H](CC(O)=O)O)O)\c1c(c2c(n1C(C)C)cccc2)-c3ccc(F)cc3,"InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1",FJLGEFLZQAZZCD-MCBHFWOFSA-N
BMGC_DG09242,BMG_DG146406,CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)/C=C/[C@H](C[C@H](CC(=O)O)O)O,c1(c(c(COC)c(nc1C(C)C)C(C)C)-c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(O)=O)O)O,"InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1",SEERZIQQUAZTOL-ANMDKAQQSA-N
BMGC_DG09243,BMG_DG146407,CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C,c1(nc(c(c(C(C)C)n1)/C=C/[C@H](C[C@@H](O)CC(O)=O)O)-c2ccc(cc2)F)N(C)S(C)(=O)=O,"InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1",BPRHUIZQVSMCRT-VEUZHWNKSA-N
BMGC_DG09244,BMG_DG146410,,,,
BMGC_DG09245,BMG_DG146411,,,,
BMGC_DG09246,BMG_DG146415,,,,
BMGC_DG09247,BMG_DG146418,,,,
BMGC_DG09248,BMG_DG146419,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C,O=C1C(C)=C(CC=C(C)C)C(=O)C(OC)=C1OC,"InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3",SOECUQMRSRVZQQ-UHFFFAOYSA-N
BMGC_DG09249,BMG_DG146420,,,,
BMGC_DG09250,BMG_DG146421,,,,
BMGC_DG09251,BMG_DG146422,,c1(c(ccc(n1)CF)OCCOc2c(cc(cc2)Cl)Cl)Cl,,FHPOTBQOUBMMCI-UHFFFAOYSA-N
BMGC_DG09252,BMG_DG146426,CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC,[C@@H]12[C@H]([C@H](C[C@@H](N1C)CC2)OC(=O)c3ccccc3)C(=O)OC,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1",ZPUCINDJVBIVPJ-LJISPDSOSA-N
BMGC_DG09253,BMG_DG146427,,,,
BMGC_DG09254,BMG_DG146433,,,,
BMGC_DG09255,BMG_DG146434,,,,
BMGC_DG09256,BMG_DG146435,,,,
BMGC_DG09257,BMG_DG146437,CC1=C(C=CC(=C1)C(=O)N)N2C(=CC=C2C3=CC=C(C=C3)N4C=CN=C4)CCC(=O)O,n1(cncc1)-c2ccc(cc2)-c3n(c(cc3)CCC(O)=O)-c4c(cc(cc4)C(=O)N)C,"InChI=1S/C24H22N4O3/c1-16-14-18(24(25)31)4-9-21(16)28-20(8-11-23(29)30)7-10-22(28)17-2-5-19(6-3-17)27-13-12-26-15-27/h2-7,9-10,12-15H,8,11H2,1H3,(H2,25,31)(H,29,30)",YVPGZQLRPAGKLA-UHFFFAOYSA-N
BMGC_DG09258,BMG_DG146438,C1CCC(C1)C2=C(C=C(C=C2)COC3=CC4=C(C=C3)NC5=C4CC[C@@H]5CC(=O)O)C(F)(F)F,C([C@H]1CCc2c3cc(OCc4ccc(C5CCCC5)c(C(F)(F)F)c4)ccc3[nH]c21)C(=O)O,"InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1",MVGWUTBTXDYMND-QGZVFWFLSA-N
BMGC_DG09259,BMG_DG146439,C1=CC(=CC=C1C(=O)NCC2=C(C(=C(C=C2)F)F)F)S(=O)(=O)N,,"InChI=1S/C14H11F3N2O3S/c15-11-6-3-9(12(16)13(11)17)7-19-14(20)8-1-4-10(5-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)",AANTYZRUJFNZFI-UHFFFAOYSA-N
BMGC_DG09260,BMG_DG146440,,,,
BMGC_DG09261,BMG_DG146441,,,,
BMGC_DG09262,BMG_DG146443,,,,
BMGC_DG09263,BMG_DG146444,,,,
BMGC_DG09264,BMG_DG146447,CC1=CC(=C(C(=C1)C)C2=CC=C(C=C2)NC(=O)[C@H](CC3=CC=C(C=C3)C(=O)NCCS(=O)(=O)O)C4=CC=C(C=C4)C5=CC=C(C=C5)C(C)(C)C)C,C(CNC(c1ccc(cc1)C[C@@H](C(Nc2ccc(cc2)-c3c(cc(cc3C)C)C)=O)c4ccc(cc4)-c5ccc(cc5)C(C)(C)C)=O)S(=O)(=O)O,"InChI=1S/C43H46N2O5S/c1-28-25-29(2)40(30(3)26-28)35-17-21-38(22-18-35)45-42(47)39(27-31-7-9-36(10-8-31)41(46)44-23-24-51(48,49)50)34-13-11-32(12-14-34)33-15-19-37(20-16-33)43(4,5)6/h7-22,25-26,39H,23-24,27H2,1-6H3,(H,44,46)(H,45,47)(H,48,49,50)/t39-/m1/s1",HKJMCBYPVCGZFB-LDLOPFEMSA-N
BMGC_DG09265,BMG_DG146451,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCNC(=O)C1=CC=CC=C1O,C(NCCNC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)c1ccccc1O,"InChI=1S/C31H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30(35)32-26-27-33-31(36)28-23-21-22-24-29(28)34/h3-4,6-7,9-10,12-13,15-16,18-19,21-24,34H,2,5,8,11,14,17,20,25-27H2,1H3,(H,32,35)(H,33,36)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-",JQLBBYLGWHUHRW-KUBAVDMBSA-N
BMGC_DG09266,BMG_DG146453,,c1ccc2c(c1)c(cn2CCCC)C(C3C(C3(C)C)(C)C)=O,,WHHNPKDWXUKGLJ-UHFFFAOYSA-N
BMGC_DG09267,BMG_DG146454,CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3C(C3(C)C)(C)C,c1ccc2c(c1)c(cn2CCCCC)C(C3C(C3(C)C)(C)C)=O,"InChI=1S/C21H29NO/c1-6-7-10-13-22-14-16(15-11-8-9-12-17(15)22)18(23)19-20(2,3)21(19,4)5/h8-9,11-12,14,19H,6-7,10,13H2,1-5H3",NBMMIBNZVQFQEO-UHFFFAOYSA-N
BMGC_DG09268,BMG_DG146455,,CCC1(CC)C(=O)N(c2cccnc2)C1=O,,OHEZXQVPDSACCJ-UHFFFAOYSA-N
BMGC_DG09269,BMG_DG146457,,n1(c(c(c2cc(ccc12)OC[C@H]3N(c4ccccc4C3)C(=O)C)SC(C)(C)C)CC(C(=O)O)(C)C)Cc5ccc(cc5)-c6ncc(cn6)OC,,VYXWHVDEWWHDLH-LJAQVGFWSA-N
BMGC_DG09270,BMG_DG146458,,ON(CCP(O)(O)=O)C=O,,NBAIGNUEKZLOMI-UHFFFAOYSA-N
BMGC_DG09271,BMG_DG146459,,NS(=O)(=O)c1c(F)cccc1F,,RVVVGGCOFWWDEL-UHFFFAOYSA-N
BMGC_DG09272,BMG_DG146460,,NS(=O)(=O)c1cc(F)cc(F)c1,,MKQPOVUFDWKPNO-UHFFFAOYSA-N
BMGC_DG09273,BMG_DG146461,,,,
BMGC_DG09274,BMG_DG146462,,,,
BMGC_DG09275,BMG_DG146464,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,C(C)/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(O)=O,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-",JAZBEHYOTPTENJ-JLNKQSITSA-N
BMGC_DG09276,BMG_DG146465,,C(CCCCCCCCCC/C=C\CCCCC)(=O)O,,OXEDXHIBHVMDST-SREVYHEPSA-N
BMGC_DG09277,BMG_DG146466,,,,
BMGC_DG09278,BMG_DG146472,,,,
BMGC_DG09279,BMG_DG146473,,,,
BMGC_DG09280,BMG_DG146484,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4,N1(c2c(C(=O)Nc3c1nccc3C)cccn2)C4CC4,"InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)",NQDJXKOVJZTUJA-UHFFFAOYSA-N
BMGC_DG09281,BMG_DG146485,,,,
BMGC_DG09282,BMG_DG146509,,,,
BMGC_DG09283,BMG_DG146512,,CCOP(=O)(OCC)C(=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC,,YQLJDECYQDRSBI-UHFFFAOYSA-N
BMGC_DG09284,BMG_DG146514,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[Se]CC[C@@H](C(=O)O)N)O)O)N,,"InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1",UVSMMLABJBJNGH-WFMPWKQPSA-N
BMGC_DG09285,BMG_DG146516,,c12C(N[C@@H](Cc3cccc(OCCCCNc(cc(c1)COC)c2)c3)[C@@H](CNC4(CC4)c5cc(ccc5)C(C)C)O)=O,,GCZHKZTYTMTFGU-JHOUSYSJSA-N
BMGC_DG09286,BMG_DG146518,,Cc1ccc(-c2ccc3c(ccc4sc5c(c34)NC[C@@H](C)NC5=O)n2)cn1,,CMWRPDHVGMHLSZ-GFCCVEGCSA-N
BMGC_DG09287,BMG_DG146519,CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5,c1(cnc(cc1)Nc2ncc3c(n2)n(c(c3)C(=O)N(C)C)C4CCCC4)N5CCNCC5,"InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)",RHXHGRAEPCAFML-UHFFFAOYSA-N
BMGC_DG09288,BMG_DG146522,CNS(=O)(=O)CC1CCC(CC1)N(C)C2=NC=NC3=C2C=CN3,O=S(C[C@@H]1CC[C@@H](N(C)c2ncnc3[nH]ccc23)CC1)(=O)NC,"InChI=1S/C15H23N5O2S/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19)",HJWLJNBZVZDLAQ-UHFFFAOYSA-N;HJWLJNBZVZDLAQ-HAQNSBGRSA-N
BMGC_DG09289,BMG_DG146523,,C[C@@]12[C@@]([H])([C@H](C)CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC[C@@]1([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H]2O,,OJSUWTDDXLCUFR-HGZMBBKESA-N
BMGC_DG09290,BMG_DG146531,,,,
BMGC_DG09291,BMG_DG146533,COC1=C(N=C(C=C1)CNC(=O)C2=C(N=CC(=C2)C3=CC(=CN=C3)Cl)C4=CC=CC=N4)OC,COc1c(nc(cc1)CNC(=O)c2c(ncc(c2)-c3cc(cnc3)Cl)-c4ccccn4)OC,"InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31)",CKTWQGHVNRYNCM-UHFFFAOYSA-N
BMGC_DG09292,BMG_DG146536,,,,
BMGC_DG09293,BMG_DG146537,,,,
BMGC_DG09294,BMG_DG146541,C[C@](C1=CC=C(C=C1)C(=O)O)(C(=O)O)N,c1c(C(=O)O)ccc([C@@](N)(C)C(O)=O)c1,"InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1",DNCAZYRLRMTVSF-JTQLQIEISA-N
BMGC_DG09295,BMG_DG146546,CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O,O(C(CCCCCCC)=O)[C@H]1[C@]2(C(=C([C@@H]1OC(/C(=C\C)/C)=O)C)[C@]3([C@@]([C@H](C[C@@]2(OC(C)=O)C)OC(CCC)=O)(O)[C@](C(O3)=O)(C)O)[H])[H],"InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1",IXFPJGBNCFXKPI-FSIHEZPISA-N
BMGC_DG09296,BMG_DG146549,,,,
BMGC_DG09297,BMG_DG146550,,,,
BMGC_DG09298,BMG_DG146551,,,,
BMGC_DG09299,BMG_DG146554,,,,
BMGC_DG09300,BMG_DG146555,C1=CC=C(C=C1)CCCCCCC(=O)N[C@@H](CCC(=O)O)CC2=CC=C(C=C2)OCC3=CC=CC=C3,,"InChI=1S/C31H37NO4/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)23-26-17-20-29(21-18-26)36-24-27-14-8-4-9-15-27/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1",KWLUIYFCMHKLKY-NDEPHWFRSA-N
BMGC_DG09301,BMG_DG146557,,,,
BMGC_DG09302,BMG_DG146558,,,,
BMGC_DG09303,BMG_DG146561,,,,
BMGC_DG09304,BMG_DG146568,,,,
BMGC_DG09305,BMG_DG146570,,,,
BMGC_DG09306,BMG_DG146576,,,,
BMGC_DG09307,BMG_DG146577,,S(=O)(=O)(c1ccc(OC)cc1)N(Cc2cccnc2)[C@H](C(C)C)C(NO)=O,,BSIZUMJRKYHEBR-QGZVFWFLSA-N
BMGC_DG09308,BMG_DG146578,,,,
BMGC_DG09309,BMG_DG146579,,,,
BMGC_DG09310,BMG_DG146581,C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O,O[C@H]1[C@@]2(O[C@]([C@@H](/C=C/[C@@H]3O[C@]4(CC3)O[C@@]5([C@@](CC4)(O[C@@](C([C@H]5O)=C)([C@H](C[C@H](C)[C@]6(O[C@]7(CC[C@H]6C)CCCCO7)[H])O)[H])[H])[H])C)(CC(=C2)C)[H])O[C@@H](CC1)C[C@@](C(O)=O)(C)O,"InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1",QNDVLZJODHBUFM-WFXQOWMNSA-N
BMGC_DG09311,BMG_DG146586,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O,c12c(c(C)c(c(c1O)C/C=C(/CCC(=O)O)\C)OC)COC2=O,"InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+",HPNSFSBZBAHARI-RUDMXATFSA-N
BMGC_DG09312,BMG_DG146588,,,,
BMGC_DG09313,BMG_DG146591,,,,
BMGC_DG09314,BMG_DG146593,,N[C@H](C(=O)N[C@H](C(N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)Cc1ccccc1)=O)CCSC)Cc2c3c([nH]c2)cccc3,,RGYLYUZOGHTBRF-BIHRQFPBSA-N
BMGC_DG09315,BMG_DG146594,[B-]1(O[C@@]2([C@](O1)([C@H](CO2)O)O)C)(O)O,,"InChI=1S/C5H10BO7/c1-4-5(8,3(7)2-11-4)13-6(9,10)12-4/h3,7-10H,2H2,1H3/q-1/t3-,4+,5+/m0/s1",ACKRRKSNOOISSG-VPENINKCSA-N
BMGC_DG09316,BMG_DG146595,,O[C@H]1[C@H](O)[C@H](O)[C@@H](O[C@H]1OC)C,,OHWCAVRRXKJCRB-CXNFULCWSA-N
BMGC_DG09317,BMG_DG146601,C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O,[C@H]1(O)[C@@H](OC[C@H](C[C@]2([C@]([C@H]([C@H](C)O)C)(O2)[H])[H])[C@H]1O)C\C(\C)=C\C(=O)OCCCCCCCCC(=O)O,"InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1",MINDHVHHQZYEEK-HBBNESRFSA-N
BMGC_DG09318,BMG_DG146603,CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl,[C@]1(O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)O)([C@H](NC([C@H]2N(C[C@@H](C2)CCC)C)=O)[C@@H](Cl)C)[H],"InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1",KDLRVYVGXIQJDK-AWPVFWJPSA-N
BMGC_DG09319,BMG_DG146604,,,,
BMGC_DG09320,BMG_DG146605,,,,
BMGC_DG09321,BMG_DG146606,,,,
BMGC_DG09322,BMG_DG146607,,c1c(O)c(ccc1O)/C=C/C(O)=O,,HGEFWFBFQKWVMY-DUXPYHPUSA-N
BMGC_DG09323,BMG_DG146617,,C([C@@H](N\C(=C/C(c1ccccc1)=O)\C)Cc2ccc(OCCc3nc(oc3C)-c4ccccc4)cc2)(=O)O,,GGUVRMBIEPYOKL-WMVCGJOFSA-N
BMGC_DG09324,BMG_DG146622,,,,
BMGC_DG09325,BMG_DG146623,,,,
BMGC_DG09326,BMG_DG146627,,,,
BMGC_DG09327,BMG_DG146628,C1CNCCC1CCC2=CNC3=CC=CC=C32,[nH]1cc(CCC2CCNCC2)c3c1cccc3,"InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2",SADQVAVFGNTEOD-UHFFFAOYSA-N
BMGC_DG09328,BMG_DG146639,,,,
BMGC_DG09329,BMG_DG146640,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Br)CO)O,n1([C@H]2C[C@H](O)[C@H](O2)CO)c([nH]c(=O)c(c1)/C=C/Br)=O,"InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1",ODZBBRURCPAEIQ-PIXDULNESA-N
BMGC_DG09330,BMG_DG146641,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2CC4=CN=C5C(=N4)C(=NC(=N5)N)N,,"InChI=1S/C21H17N7/c22-19-18-20(27-21(23)26-19)24-11-15(25-18)12-28-16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)28/h1-11H,12H2,(H4,22,23,24,26,27)",NXCCIJQEAKMFGW-UHFFFAOYSA-N
BMGC_DG09331,BMG_DG146642,,,,
BMGC_DG09332,BMG_DG146643,,,,
BMGC_DG09333,BMG_DG146644,,,,
BMGC_DG09334,BMG_DG146645,,,,
BMGC_DG09335,BMG_DG146646,,,,
BMGC_DG09336,BMG_DG146648,,,,
BMGC_DG09337,BMG_DG146649,,,,
BMGC_DG09338,BMG_DG146650,,,,
BMGC_DG09339,BMG_DG146654,,,,
BMGC_DG09340,BMG_DG146655,,c1(ccc(NCc2n(c3c(n2)cc(cc3)C(=O)N(c4ncccc4)CCC(=O)OCC)C)cc1)C(=N)N,,BGLLICFSSKPUMR-UHFFFAOYSA-N
BMGC_DG09341,BMG_DG146656,,,,
BMGC_DG09342,BMG_DG146658,,[C@@H]1([C@H](O)[C@@H](O)[C@H]([C@@H](CO)O1)OS(=O)(O)=O)O,,LOTQRUGOUKUSEY-DGPNFKTASA-N
BMGC_DG09343,BMG_DG146659,,,,
BMGC_DG09344,BMG_DG146660,,,,
BMGC_DG09345,BMG_DG146661,,,,
BMGC_DG09346,BMG_DG146663,,,,
BMGC_DG09347,BMG_DG146665,,,,
BMGC_DG09348,BMG_DG146669,,,,
BMGC_DG09349,BMG_DG146670,,C12=C(c3c(C[C@H]1CC)cc(cc3)O)[C@@H](Cc4c2ccc(c4)O)CC;C(C)[C@H]1C2=C(c3c(C1)cc(O)cc3)[C@H](CC)Cc4c2ccc(O)c4,,MASYAWHPJCQLSW-ZIAGYGMSSA-N
BMGC_DG09350,BMG_DG146677,,,,
BMGC_DG09351,BMG_DG146679,,P(C[C@H](C(O)=O)N)(O)(=O)O,,LBTABPSJONFLPO-UWTATZPHSA-N
BMGC_DG09352,BMG_DG146681,,,,
BMGC_DG09353,BMG_DG146690,,,,
BMGC_DG09354,BMG_DG146693,CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C,C(=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)\C)\C)/C=C(/CCC=C(C)C)\C,"InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",OAIJSZIZWZSQBC-GYZMGTAESA-N
BMGC_DG09355,BMG_DG146694,C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4O)C)O,C[C@]12CC[C@H](O)C[C@]1([H])CC[C@@]3([H])[C@]4([H])CC[C@@H](O)[C@@]4(C)CC[C@@]32[H],"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17+,18-,19-/m0/s1",CBMYJHIOYJEBSB-MFXFBURESA-N
BMGC_DG09356,BMG_DG146696,,,,
BMGC_DG09357,BMG_DG146697,,,,
BMGC_DG09358,BMG_DG146701,,,,
BMGC_DG09359,BMG_DG146702,,,,
BMGC_DG09360,BMG_DG146703,,,,
BMGC_DG09361,BMG_DG146707,,,,
BMGC_DG09362,BMG_DG146708,,,,
BMGC_DG09363,BMG_DG146709,,,,
BMGC_DG09364,BMG_DG146710,,,,
BMGC_DG09365,BMG_DG146711,,,,
BMGC_DG09366,BMG_DG146712,,,,
BMGC_DG09367,BMG_DG146713,,,,
BMGC_DG09368,BMG_DG146714,C[C@H]1[C@H](O1)P(=O)(O)O,[C@@H]1(O[C@H]1C)P(=O)(O)O,"InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1",YMDXZJFXQJVXBF-STHAYSLISA-N
BMGC_DG09369,BMG_DG146715,,,,
BMGC_DG09370,BMG_DG146717,,,,
BMGC_DG09371,BMG_DG146719,CC(C(C1CNC2=NC(=NC(=C2N1)N)N)O)O,,"InChI=1S/C9H16N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h3-4,6,13,16-17H,2H2,1H3,(H5,10,11,12,14,15)",NDSDGUULXHNXGA-UHFFFAOYSA-N
BMGC_DG09372,BMG_DG146720,,,,
BMGC_DG09373,BMG_DG146727,,,,
BMGC_DG09374,BMG_DG146728,,,,
BMGC_DG09375,BMG_DG146729,,,,
BMGC_DG09376,BMG_DG146730,,,,
BMGC_DG09377,BMG_DG146731,,,,
BMGC_DG09378,BMG_DG146732,,,,
BMGC_DG09379,BMG_DG146733,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,[C@]1([C@@H]([C@H](C[C@H](O1)C)N(C)C)O)(O[C@@H]2[C@H]([C@@H]([C@H](C(O[C@@H]([C@](O)(C)[C@@H]([C@H](N(C[C@@H](C[C@]2(O)C)C)C)C)O)CC)=O)C)O[C@]3(C[C@](OC)(C)[C@H]([C@@H](O3)C)O)[H])C)[H],"InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",MQTOSJVFKKJCRP-BICOPXKESA-N
BMGC_DG09380,BMG_DG146734,,,,
BMGC_DG09381,BMG_DG146735,CC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O,,"InChI=1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1",BFNOPXRXIQJDHO-DLFWLGJNSA-N
BMGC_DG09382,BMG_DG146736,,,,
BMGC_DG09383,BMG_DG146738,,,,
BMGC_DG09384,BMG_DG146740,,,,
BMGC_DG09385,BMG_DG146741,,,,
BMGC_DG09386,BMG_DG146742,,,,
BMGC_DG09387,BMG_DG146744,,n1(c(c(c2C(C(=CC(c12)=O)OC)=O)COc3ccc(cc3)[N+](=O)[O-])C)C,,IBLWSLZYYZHSRG-UHFFFAOYSA-N
BMGC_DG09388,BMG_DG146748,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,C(OP(=O)(O)O)[C@@H]1[C@@H](O)[C@H](O)[C@@H]([C@H](O1)O)O,"InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6+/m1/s1",NBSCHQHZLSJFNQ-PQMKYFCFSA-N
BMGC_DG09389,BMG_DG146749,,,,
BMGC_DG09390,BMG_DG146750,,,,
BMGC_DG09391,BMG_DG146753,,,,
BMGC_DG09392,BMG_DG146754,,,,
BMGC_DG09393,BMG_DG146756,C(CC(=O)N[C@@H](CSCO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,C(CC(=O)N[C@@H](CSCO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,"InChI=1S/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h6-7,15H,1-5,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1",PIUSLWSYOYFRFR-BQBZGAKWSA-N
BMGC_DG09394,BMG_DG146758,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N[C@@H](CC(=O)O)C(=O)O,O[C@H]1[C@H](n2c3c(nc2)c(N[C@@H](CC(O)=O)C(O)=O)ncn3)O[C@@H]([C@H]1O)COP(=O)(O)O,"InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5-,6+,9+,10+,13+/m0/s1",OFBHPPMPBOJXRT-VWJPMABRSA-N
BMGC_DG09395,BMG_DG146764,,OCc1cccc(F)c1F,,JSFGDUIJQWWBGY-UHFFFAOYSA-N
BMGC_DG09396,BMG_DG146766,,,,
BMGC_DG09397,BMG_DG146773,,N(CCC[C@@H](C(O)=O)N)C(NCCC)=N,,AOMXURITGZJPKB-ZETCQYMHSA-N
BMGC_DG09398,BMG_DG146776,,,,
BMGC_DG09399,BMG_DG146782,,c1c(c(cc(c1OC)CC(N)C)OC)Sc2ccccc2,,CSOTVYXYZSJOFL-UHFFFAOYSA-N
BMGC_DG09400,BMG_DG146789,,,,
BMGC_DG09401,BMG_DG146812,,,,
BMGC_DG09402,BMG_DG146817,C1=NC2=C(NN=C2C(=N1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,,"InChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)/t3-,7-,8-,9+/m1/s1",KBHMEHLJSZMEMI-KSYZLYKTSA-N
BMGC_DG09403,BMG_DG146818,C1=CC=C(C=C1)CNC(=O)CCNNC(=O)C2=CC=NC=C2,C(=O)(c1ccncc1)NNCCC(NCc2ccccc2)=O,"InChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)",NOIIUHRQUVNIDD-UHFFFAOYSA-N
BMGC_DG09404,BMG_DG146820,,,,
BMGC_DG09405,BMG_DG146827,,,,
BMGC_DG09406,BMG_DG146828,CC1=C(C(=NC=C1)CNC(=O)CN2C(=CN=C(C2=O)NCC(C3=CC=CC=N3)(F)F)C)F,,"InChI=1S/C21H21F3N6O2/c1-13-6-8-25-15(18(13)22)10-27-17(31)11-30-14(2)9-28-19(20(30)32)29-12-21(23,24)16-5-3-4-7-26-16/h3-9H,10-12H2,1-2H3,(H,27,31)(H,28,29)",WOYBPRBUPLYTPY-UHFFFAOYSA-N
BMGC_DG09407,BMG_DG146829,,,,
BMGC_DG09408,BMG_DG146830,,,,
BMGC_DG09409,BMG_DG146831,CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@@H](C3=CC=CC=C3)O,,"InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14?,15-/m1/s1",ZTVIKZXZYLEVOL-IZGVIRRGSA-N
BMGC_DG09410,BMG_DG146835,,,,
BMGC_DG09411,BMG_DG146837,,,,
BMGC_DG09412,BMG_DG146843,,,,
BMGC_DG09413,BMG_DG146844,,,,
BMGC_DG09414,BMG_DG146849,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)C,C(OP(O)(=O)OP(O)(O)=O)/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C,"InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+",OINNEUNVOZHBOX-QIRCYJPOSA-N
BMGC_DG09415,BMG_DG146850,,,,
BMGC_DG09416,BMG_DG146851,,N1(C([C@H]([C@@H](Cc2ccccc2)N)O)=O)[C@](C(N3[C@](C(N[C@H](C(=O)N)C)=O)(CCC3)[H])=O)(CCC1)[H],,YVUUZAPYLPWFHE-HXFGRODQSA-N
BMGC_DG09417,BMG_DG146853,,Cc1ccc(S(=O)(=O)N(C)c2ccnn2-c3ccccc3)cc1,,KRHPBWNETCEFGS-UHFFFAOYSA-N
BMGC_DG09418,BMG_DG146855,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,,FEWJPZIEWOKRBE-XIXRPRMCSA-N
BMGC_DG09419,BMG_DG146859,,,,
BMGC_DG09420,BMG_DG146860,,,,
BMGC_DG09421,BMG_DG146861,,,,
BMGC_DG09422,BMG_DG146862,,,,
BMGC_DG09423,BMG_DG146863,,,,
BMGC_DG09424,BMG_DG146866,,,,
BMGC_DG09425,BMG_DG146867,,,,
BMGC_DG09426,BMG_DG146868,,,,
BMGC_DG09427,BMG_DG146869,,,,
BMGC_DG09428,BMG_DG146872,,,,
BMGC_DG09429,BMG_DG146873,,,,
BMGC_DG09430,BMG_DG146874,,,,
BMGC_DG09431,BMG_DG146876,,,,
BMGC_DG09432,BMG_DG146877,CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC,CC1=C(C(c2cccc(c2)[N+](=O)[O-])C(=C(C)N1)C(=O)OCCN(C)Cc3ccccc3)C(=O)OC,"InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3",ZBBHBTPTTSWHBA-UHFFFAOYSA-N
BMGC_DG09433,BMG_DG146878,,,,
BMGC_DG09434,BMG_DG146879,,OP(=O)(O)OC[C@@H]1[C@@H](F)C[C@H](n2cc(C)c(=O)[nH]c2=O)O1,,GGCAVPJXJISBOA-XLPZGREQSA-N
BMGC_DG09435,BMG_DG146881,CN1C=C(C(=O)C2=C1C=C(C=C2)F)S(=O)C,c1(c(c2ccc(cc2n(c1)C)F)=O)[S+]([O-])C,"InChI=1S/C11H10FNO2S/c1-13-6-10(16(2)15)11(14)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3",UYGONJYYUKVHDD-UHFFFAOYSA-N
BMGC_DG09436,BMG_DG146882,,,,
BMGC_DG09437,BMG_DG146884,,,,
BMGC_DG09438,BMG_DG146887,,,,
BMGC_DG09439,BMG_DG146888,,,,
BMGC_DG09440,BMG_DG146889,CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C/C4=CC5=CC=CC=C5N=C4)C)C)NC(=O)O2)C,[C@]12([C@](NC(O1)=O)([C@H](C([C@@H](C[C@](OC/C=C/c3cnc4ccccc4c3)(C)[C@@]([C@H](C([C@H](C(O[C@@H]2CC)=O)C)=O)C)(O[C@H]5[C@@H]([C@@H](N(C)C)C[C@H](O5)C)O)[H])C)=O)C)[H])C,"InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1",PENDGIOBPJLVBT-ONLVEXIXSA-N
BMGC_DG09441,BMG_DG146891,CCO[C@@H](CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3OC4=CC=CC=C42)C(=O)O,,"InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1",WMUIIGVAWPWQAW-DEOSSOPVSA-N
BMGC_DG09442,BMG_DG146893,,,,
BMGC_DG09443,BMG_DG146895,C/C=C/C=O,C(=C/C)\C=O,"InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+",MLUCVPSAIODCQM-NSCUHMNNSA-N
BMGC_DG09444,BMG_DG146896,,,,
BMGC_DG09445,BMG_DG146898,,,,
BMGC_DG09446,BMG_DG146899,,,,
BMGC_DG09447,BMG_DG146900,,,,
BMGC_DG09448,BMG_DG146903,,,,
BMGC_DG09449,BMG_DG146905,,,,
BMGC_DG09450,BMG_DG146906,,,,
BMGC_DG09451,BMG_DG146907,,,,
BMGC_DG09452,BMG_DG146908,,,,
BMGC_DG09453,BMG_DG146909,,,,
BMGC_DG09454,BMG_DG146910,,,,
BMGC_DG09455,BMG_DG146911,,,,
BMGC_DG09456,BMG_DG146912,,CCc1ccc(NC(=O)P(=O)(O)O)cc1,,KGNSYMGWPCEFDZ-UHFFFAOYSA-N
BMGC_DG09457,BMG_DG146913,,,,
BMGC_DG09458,BMG_DG146914,,,,
BMGC_DG09459,BMG_DG146916,,,,
BMGC_DG09460,BMG_DG146925,,,,
BMGC_DG09461,BMG_DG146926,,,,
BMGC_DG09462,BMG_DG146928,,,,
BMGC_DG09463,BMG_DG146930,,,,
BMGC_DG09464,BMG_DG146933,C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)OC(=O)C)O)[C@H](C)COC(=O)C)O)C)COC,,"InChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/b25-14-/t18-,19-,22-,23+,26-,27+,29-,30-,31-,32-,33+,34-,36+/m1/s1",KXTYBXCEQOANSX-WYKQKOHHSA-N
BMGC_DG09465,BMG_DG146936,,,,
BMGC_DG09466,BMG_DG146937,C1=CC(=CN=C1)C(=O)OCC(COC(=O)C2=CN=CC=C2)(COC(=O)C3=CN=CC=C3)COC(=O)C4=CN=CC=C4,C(COC(c1cccnc1)=O)(COC(c2cccnc2)=O)(COC(c3cccnc3)=O)COC(c4cccnc4)=O,"InChI=1S/C29H24N4O8/c34-25(21-5-1-9-30-13-21)38-17-29(18-39-26(35)22-6-2-10-31-14-22,19-40-27(36)23-7-3-11-32-15-23)20-41-28(37)24-8-4-12-33-16-24/h1-16H,17-20H2",KUEUWHJGRZKESU-UHFFFAOYSA-N
BMGC_DG09467,BMG_DG146939,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,C1[C@H](CO)[C@H]([C@@H](CN1)O)O,"InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1",QPYJXFZUIJOGNX-HSUXUTPPSA-N
BMGC_DG09468,BMG_DG146940,,,,
BMGC_DG09469,BMG_DG146941,,,,
BMGC_DG09470,BMG_DG146942,,O[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O,,KTVPXOYAKDPRHY-TXICZTDVSA-N
BMGC_DG09471,BMG_DG146943,,,,
BMGC_DG09472,BMG_DG146944,,,,
BMGC_DG09473,BMG_DG146945,,,,
BMGC_DG09474,BMG_DG146946,,,,
BMGC_DG09475,BMG_DG146947,,,,
BMGC_DG09476,BMG_DG146948,,,,
BMGC_DG09477,BMG_DG146953,,,,
BMGC_DG09478,BMG_DG146956,,,,
BMGC_DG09479,BMG_DG146959,C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O,[N+](c1cc(Cl)c(NC(c2c(ccc(c2)Cl)O)=O)cc1)([O-])=O,"InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)",RJMUSRYZPJIFPJ-UHFFFAOYSA-N
BMGC_DG09480,BMG_DG146960,,c1(nc2c(cn1)cc(c(n2C)=O)-c3c(cccc3Cl)Cl)Nc4cc(ccc4)CO,,ZIQFYVPVJZEOFS-UHFFFAOYSA-N
BMGC_DG09481,BMG_DG146961,,,,
BMGC_DG09482,BMG_DG146962,CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O,[C@]12([C@]([C@@]3([C@@H]([C@@H]([C@]4([C@@](CC[C@@H](O)C4)(C)[C@]3(CC1)[H])[H])CC)O)[H])(CC[C@@]2([C@@H](CCC(=O)O)C)[H])[H])C,"InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1",ZXERDUOLZKYMJM-ZWECCWDJSA-N
BMGC_DG09483,BMG_DG146963,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCCC4)C)O)C,,"InChI=1S/C24H40O3/c1-15(7-10-21(26)27)17-8-9-18-22-19(11-13-24(17,18)3)23(2)12-5-4-6-16(23)14-20(22)25/h15-20,22,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17-,18+,19+,20-,22+,23+,24-/m1/s1",JVMCMMXFADJQKU-MMSVWBHPSA-N
BMGC_DG09484,BMG_DG146965,,,,
BMGC_DG09485,BMG_DG146968,,,,
BMGC_DG09486,BMG_DG146969,,,,
BMGC_DG09487,BMG_DG146970,,,,
BMGC_DG09488,BMG_DG146971,,,,
BMGC_DG09489,BMG_DG146972,,,,
BMGC_DG09490,BMG_DG146973,,,,
BMGC_DG09491,BMG_DG146974,,,,
BMGC_DG09492,BMG_DG146975,,,,
BMGC_DG09493,BMG_DG146976,,Cc1ncc(COP(O)(O)=O)c(CNOCC(O)=O)c1O,,QYKRUCBLHROXCK-UHFFFAOYSA-N
BMGC_DG09494,BMG_DG146979,,,,
BMGC_DG09495,BMG_DG146983,,,,
BMGC_DG09496,BMG_DG146990,,,,
BMGC_DG09497,BMG_DG146992,,,,
BMGC_DG09498,BMG_DG146995,,,,
BMGC_DG09499,BMG_DG146999,,,,
BMGC_DG09500,BMG_DG147000,,,,
BMGC_DG09501,BMG_DG147007,C[C@H]1CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/C)/C,C1(C([C@H](CC(O[C@H](/C(=C/c2nc(C)sc2)/C)C/C=C(\CCC[C@@H]([C@@H]([C@H]1C)O)C)/C)=O)O)(C)C)=O,"InChI=1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1",XOZIUKBZLSUILX-GIQCAXHBSA-N
BMGC_DG09502,BMG_DG147008,,,,
BMGC_DG09503,BMG_DG147009,,,,
BMGC_DG09504,BMG_DG147010,,,,
BMGC_DG09505,BMG_DG147012,,,,
BMGC_DG09506,BMG_DG147017,,c1(cc(ccc1)OCCCN(CC(c2ccccc2)c3ccccc3)Cc4c(c(ccc4)C(F)(F)F)Cl)CC(=O)O,,NAXSRXHZFIBFMI-UHFFFAOYSA-N
BMGC_DG09507,BMG_DG147018,C(C(C(=O)[O-])[S-])C(=O)[O-].[Au+],,"InChI=1S/C4H6O4S.Au/c5-3(6)1-2(9)4(7)8;/h2,9H,1H2,(H,5,6)(H,7,8);/q;+1/p-3",XJHSMFDIQHVMCY-UHFFFAOYSA-K
BMGC_DG09508,BMG_DG147021,,,,
BMGC_DG09509,BMG_DG147022,,c1(ccccc1)S(N(CC(F)(F)F)c2ccc(cc2)C(C(F)(F)F)(O)C(F)(F)F)(=O)=O,,SGIWFELWJPNFDH-UHFFFAOYSA-N
BMGC_DG09510,BMG_DG147031,,,,
BMGC_DG09511,BMG_DG147033,,,,
BMGC_DG09512,BMG_DG147034,,,,
BMGC_DG09513,BMG_DG147035,,Cc1nc(C)c(-c2ccnc(N)n2)s1,,CTFDMGIBHFQWKB-UHFFFAOYSA-N
BMGC_DG09514,BMG_DG147036,,,,
BMGC_DG09515,BMG_DG147037,,,,
BMGC_DG09516,BMG_DG147038,,,,
BMGC_DG09517,BMG_DG147039,,Cc1nc(N)sc1-c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-],,DYTKVFHLKPDNRW-UHFFFAOYSA-N
BMGC_DG09518,BMG_DG147040,,,,
BMGC_DG09519,BMG_DG147041,,,,
BMGC_DG09520,BMG_DG147045,,Clc1ccc(CN(Cc2ccc(Cl)cc2)c3nn[nH]n3)cc1,,UOUXILZUBDIWQU-UHFFFAOYSA-N
BMGC_DG09521,BMG_DG147048,,,,
BMGC_DG09522,BMG_DG147051,,COc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1,,JIRXORZYIXSWOB-UHFFFAOYSA-N
BMGC_DG09523,BMG_DG147053,,c1cc([C@H](C)C(=O)O)ccc1-c2ccccc2,,JALUUBQFLPUJMY-NSHDSACASA-N
BMGC_DG09524,BMG_DG147054,,,,
BMGC_DG09525,BMG_DG147058,,,,
BMGC_DG09526,BMG_DG147060,C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C,O1[C@@]2(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(O[C@@H](C[C@H]12)\C(=C\c3nc(C)sc3)\C)=O)O)(C)C)C)O)C)C,"InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1",QXRSDHAAWVKZLJ-PVYNADRNSA-N
BMGC_DG09527,BMG_DG147061,,N(C(NCc1ccc(cc1)OC)=O)c2sc(cn2)[N+](=O)[O-],,YAEMHJKFIIIULI-UHFFFAOYSA-N
BMGC_DG09528,BMG_DG147063,,,,
BMGC_DG09529,BMG_DG147064,,,,
BMGC_DG09530,BMG_DG147065,,,,
BMGC_DG09531,BMG_DG147069,C[C@H](C1CCC(CC1)C(=O)NC2=CC=NC=C2)N,c1c(ccnc1)NC(=O)[C@@H]2CC[C@](CC2)([C@H](N)C)[H],"InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11?,12?/m1/s1",IYOZTVGMEWJPKR-VOMCLLRMSA-N;IYOZTVGMEWJPKR-IJLUTSLNSA-N
BMGC_DG09532,BMG_DG147070,,,,
BMGC_DG09533,BMG_DG147071,,c1(OC2CCCC2)c(OC)ccc([C@@H]3CNC(=O)C3)c1,,HJORMJIFDVBMOB-LBPRGKRZSA-N
BMGC_DG09534,BMG_DG147074,,,,
BMGC_DG09535,BMG_DG147081,,,,
BMGC_DG09536,BMG_DG147085,,,,
BMGC_DG09537,BMG_DG147086,,,,
BMGC_DG09538,BMG_DG147088,,,,
BMGC_DG09539,BMG_DG147089,C[C@@H](C(=O)CCCCCC(=O)O)N,,"InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1",GUAHPAJOXVYFON-ZETCQYMHSA-N
BMGC_DG09540,BMG_DG147091,C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O,,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1",RKWHWFONKJEUEF-UHFFFAOYSA-O
BMGC_DG09541,BMG_DG147095,C[C@H]1C[C@H](C[C@H](C1)N)C2=C(C=NC=C2)NC(=O)C3=NC(=C(C=C3)F)C4=C(C=CC=C4F)F,c1(ccc(c(n1)-c2c(cccc2F)F)F)C(=O)Nc3cnccc3[C@H]4C[C@H](C[C@H](C4)C)N,"InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1",VRQXRVAKPDCRCI-ZNMIVQPWSA-N
BMGC_DG09542,BMG_DG147096,CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@@]34[C@@H]([C@H]([C@@H]([C@@](O3)(CO4)CO)O)O)O)Cl,OC[C@@]12O[C@]([C@H](O)[C@@H](O)[C@@H]1O)(c3ccc(Cl)c(Cc4ccc(cc4)OCC)c3)OC2,"InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1",MCIACXAZCBVDEE-CUUWFGFTSA-N
BMGC_DG09543,BMG_DG147102,CC[C@](C)([C@H](C(=O)O)O)O,,"InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/t4-,6+/m0/s1",PDGXJDXVGMHUIR-UJURSFKZSA-N
BMGC_DG09544,BMG_DG147107,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)O)O)CO)O)O)O)O,,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+,10-,11-,12+/m1/s1",GUBGYTABKSRVRQ-PZPXDAEZSA-N
BMGC_DG09545,BMG_DG147109,,,,
BMGC_DG09546,BMG_DG147110,,,,
BMGC_DG09547,BMG_DG147111,,O(CCCCCCC)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,,NIDYWHLDTIVRJT-UJPOAAIJSA-N
BMGC_DG09548,BMG_DG147115,,c1(cnc(cc1)Nc2ncc3c(n2)n(c(c3)C(=O)NC)C4CCCC4)N5CCNCC5,,ZSJOEUYXGLSYHY-UHFFFAOYSA-N
BMGC_DG09549,BMG_DG147117,,,,
BMGC_DG09550,BMG_DG147123,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O,Nc1ccn([C@@H]2O[C@@H]([C@@H](O)[C@H]2O)COP(O[C@@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)(=O)O)c(n1)=O,"InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1",TXCIAUNLDRJGJZ-BILDWYJOSA-N
BMGC_DG09551,BMG_DG147126,CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O,n1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)C(NCC)=O)O)O,"InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1",JADDQZYHOWSFJD-FLNNQWSLSA-N
BMGC_DG09552,BMG_DG147129,,,,
BMGC_DG09553,BMG_DG147130,,,,
BMGC_DG09554,BMG_DG147132,,,,
BMGC_DG09555,BMG_DG147134,,,,
BMGC_DG09556,BMG_DG147135,,,,
BMGC_DG09557,BMG_DG147136,,,,
BMGC_DG09558,BMG_DG147137,,,,
BMGC_DG09559,BMG_DG147138,,,,
BMGC_DG09560,BMG_DG147139,CC(C)C[C@@H](C(=O)O)N[C@@H](CC1=CN=CN1CC2=CC(=CC(=C2)Cl)Cl)C(=O)O,[C@H](N[C@H](C(=O)O)CC(C)C)(Cc1cncn1Cc2cc(Cl)cc(Cl)c2)C(O)=O,"InChI=1S/C19H23Cl2N3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)/t16-,17-/m0/s1",NTCCRGGIJNDEAB-IRXDYDNUSA-N
BMGC_DG09561,BMG_DG147142,,[nH]1c(c(c2cc(ccc12)Cl)CC)C(=O)NCCc3ccc(cc3)N4CCCCC4,,AHFZDNYNXFMRFQ-UHFFFAOYSA-N
BMGC_DG09562,BMG_DG147143,,,,
BMGC_DG09563,BMG_DG147146,,,,
BMGC_DG09564,BMG_DG147149,,,,
BMGC_DG09565,BMG_DG147151,,,,
BMGC_DG09566,BMG_DG147152,,,,
BMGC_DG09567,BMG_DG147153,,,,
BMGC_DG09568,BMG_DG147162,,,,
BMGC_DG09569,BMG_DG147165,,,,
BMGC_DG09570,BMG_DG147166,,,,
BMGC_DG09571,BMG_DG147168,,O[C@@H](c1ccc(cc1)O)CN,,QHGUCRYDKWKLMG-MRVPVSSYSA-N
BMGC_DG09572,BMG_DG147178,,,,
BMGC_DG09573,BMG_DG147182,,,,
BMGC_DG09574,BMG_DG147183,,,,
BMGC_DG09575,BMG_DG147185,,,,
BMGC_DG09576,BMG_DG147197,,,,
BMGC_DG09577,BMG_DG147198,C/C(=C\C=C\C=C(\C=C\C=C(\C=C\[C@@]12O[C@@]1(C[C@H](CC2(C)C)O)C)/C)/C)/C=C/C=C(/C=C/[C@@]34O[C@@]3(C[C@H](CC4(C)C)O)C)\C,[C@@]12(O[C@@]1(/C=C/C(=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(\C)/C=C/[C@@]34C(C)(C)C[C@H](O)C[C@]4(O3)C)\C)/C)C(C)(C[C@@H](C2)O)C)C,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",SZCBXWMUOPQSOX-WVJDLNGLSA-N
BMGC_DG09578,BMG_DG147200,CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C\CCCC(=O)O)O,[C@H]1([C@H](C(=O)C[C@@H]1O)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1",BHMBVRSPMRCCGG-OUTUXVNYSA-N
BMGC_DG09579,BMG_DG147206,,,,
BMGC_DG09580,BMG_DG147212,CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC,CC1=C(C(c2ccccc2[N+](=O)[O-])C(=C(C)N1)C(=O)OC)C(=O)OC,"InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3",HYIMSNHJOBLJNT-UHFFFAOYSA-N
BMGC_DG09581,BMG_DG147213,,,,
BMGC_DG09582,BMG_DG147214,,,,
BMGC_DG09583,BMG_DG147215,,N=C(N)c1ccc(CO)cc1,,WHMKAFNJMLEDSN-UHFFFAOYSA-N
BMGC_DG09584,BMG_DG147219,,,,
BMGC_DG09585,BMG_DG147221,C1=CC(=CC=C1C#N)NC2=NC(=NC(=N2)N)CC3=C(C=CC4=C3C=CN4)Cl,,"InChI=1S/C19H14ClN7/c20-15-5-6-16-13(7-8-23-16)14(15)9-17-25-18(22)27-19(26-17)24-12-3-1-11(10-21)2-4-12/h1-8,23H,9H2,(H3,22,24,25,26,27)",SOKOHDQTKSROQZ-UHFFFAOYSA-N
BMGC_DG09586,BMG_DG147223,,,,
BMGC_DG09587,BMG_DG147224,CC/C(=C(/CC)\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O,C(=C(/c1ccc(cc1)O)\CC)(\c2ccc(cc2)O)/CC,"InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+",RGLYKWWBQGJZGM-ISLYRVAYSA-N
BMGC_DG09588,BMG_DG147225,C1[C@H](N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CS4)CC5=CC=CC=C5,c1cc(cc2c1N(C[C@@H](Cc3ccccc3)N(C2)S(=O)(c4sccc4)=O)Cc5cnc[nH]5)C#N,"InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1",OLCWFLWEHWLBTO-HSZRJFAPSA-N
BMGC_DG09589,BMG_DG147226,,C(NC(CNC([C@H](NS(Cc1ccccc1)(=O)=O)CO)=O)=O)c2ccc(C(=N)N)cc2,,MIDRZAUOYQDRRT-QGZVFWFLSA-N
BMGC_DG09590,BMG_DG147229,,,,
BMGC_DG09591,BMG_DG147230,,,,
BMGC_DG09592,BMG_DG147231,C1CCN(CC1)CCOC2=CC=C(C=C2)[C@H]3[C@H](SC4=C(O3)C=CC(=C4)O)C5=CC=C(C=C5)O,,"InChI=1S/C27H29NO4S/c29-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,26-27,29-30H,1-3,14-17H2/t26-,27+/m0/s1",TWZNCTCQAGRUGQ-RRPNLBNLSA-N
BMGC_DG09593,BMG_DG147232,CC(=O)N[C@@H](CCSC)C(=O)O,C([C@@H](NC(=O)C)CCSC)(=O)O,"InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1",XUYPXLNMDZIRQH-LURJTMIESA-N
BMGC_DG09594,BMG_DG147236,CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCO,n1(c(=O)n(c(=O)cc1NCCN(CCCc2ccc(cc2)[N+](=O)[O-])CCO)C)C,"InChI=1S/C19H27N5O5/c1-21-17(14-18(26)22(2)19(21)27)20-9-11-23(12-13-25)10-3-4-15-5-7-16(8-6-15)24(28)29/h5-8,14,20,25H,3-4,9-13H2,1-2H3",OEBPANQZQGQPHF-UHFFFAOYSA-N
BMGC_DG09595,BMG_DG147237,C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N[C@H](CO)[C@@H](C)O)O,C1(=O)N[C@H](C(N[C@](C(=O)N[C@H](C(N[C@@H]([C@@H](C)O)CO)=O)CSSC[C@@H](C(N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1Cc3c[nH]c4c3cccc4)=O)NC(=O)[C@@H](Cc5ccccc5)N)([C@@H](C)O)[H])=O)CCCCN,"InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1",DEQANNDTNATYII-OULOTJBUSA-N
BMGC_DG09596,BMG_DG147238,,,,
BMGC_DG09597,BMG_DG147240,,,,
BMGC_DG09598,BMG_DG147241,,,,
BMGC_DG09599,BMG_DG147242,,,,
BMGC_DG09600,BMG_DG147243,,,,
BMGC_DG09601,BMG_DG147244,,,,
BMGC_DG09602,BMG_DG147245,,,,
BMGC_DG09603,BMG_DG147246,,,,
BMGC_DG09604,BMG_DG147248,,,,
BMGC_DG09605,BMG_DG147249,,,,
BMGC_DG09606,BMG_DG147251,,,,
BMGC_DG09607,BMG_DG147253,,,,
BMGC_DG09608,BMG_DG147254,,,,
BMGC_DG09609,BMG_DG147255,,,,
BMGC_DG09610,BMG_DG147261,,,,
BMGC_DG09611,BMG_DG147266,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CN=CC=C3,n1(c(C)c(NC(c2cnccc2)=O)c(=O)n1-c3ccccc3)C,"InChI=1S/C17H16N4O2/c1-12-15(19-16(22)13-7-6-10-18-11-13)17(23)21(20(12)2)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,22)",BRZANEXCSZCZCI-UHFFFAOYSA-N
BMGC_DG09612,BMG_DG147268,,,,
BMGC_DG09613,BMG_DG147275,,,,
BMGC_DG09614,BMG_DG147276,C1=CC(=CC=C1C[NH3+])F,C(N)c1ccc(F)cc1,"InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2/p+1",IIFVWLUQBAIPMJ-UHFFFAOYSA-O;IIFVWLUQBAIPMJ-UHFFFAOYSA-N
BMGC_DG09615,BMG_DG147282,CN[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)NCC3CCC(CC3)N,,"InChI=1S/C22H34N4O2/c1-24-19(14-16-6-3-2-4-7-16)22(28)26-13-5-8-20(26)21(27)25-15-17-9-11-18(23)12-10-17/h2-4,6-7,17-20,24H,5,8-15,23H2,1H3,(H,25,27)/t17?,18?,19-,20+/m1/s1",MDSVGJAUFNXYRR-TUNPWDSISA-N
BMGC_DG09616,BMG_DG147284,,O=C(O)CCCn1c2ccccc2c3ccccc13,,HQAKVYGASUTQHH-UHFFFAOYSA-N
BMGC_DG09617,BMG_DG147292,C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)O)C(F)(F)F,c1(c(cccn1)C(O)=O)Nc2cc(ccc2)C(F)(F)F,"InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)",JZFPYUNJRRFVQU-UHFFFAOYSA-N
BMGC_DG09618,BMG_DG147293,,,,
BMGC_DG09619,BMG_DG147296,C1C[C@H]2C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N,N12CCC[C@]2(C(N[C@H](C(N)=O)CSSCCC(=O)N[C@H](C(NCC(=O)N[C@H](C(N[C@H](C1=O)Cc3c4ccccc4[nH]c3)=O)CC(O)=O)=O)CCCCNC(N)=N)=O)[H],"InChI=1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-2,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)/t22-,23-,24-,25-,26-/m0/s1",CZKPOZZJODAYPZ-LROMGURASA-N
BMGC_DG09620,BMG_DG147300,,,,
BMGC_DG09621,BMG_DG147303,,,,
BMGC_DG09622,BMG_DG147310,,,,
BMGC_DG09623,BMG_DG147311,,,,
BMGC_DG09624,BMG_DG147312,,,,
BMGC_DG09625,BMG_DG147317,,,,
BMGC_DG09626,BMG_DG147318,,,,
BMGC_DG09627,BMG_DG147320,,,,
BMGC_DG09628,BMG_DG147322,,,,
BMGC_DG09629,BMG_DG147333,,,,
BMGC_DG09630,BMG_DG147334,,,,
BMGC_DG09631,BMG_DG147340,,,,
BMGC_DG09632,BMG_DG147341,,,,
BMGC_DG09633,BMG_DG147342,,,,
BMGC_DG09634,BMG_DG147343,,,,
BMGC_DG09635,BMG_DG147344,,,,
BMGC_DG09636,BMG_DG147347,,,,
BMGC_DG09637,BMG_DG147348,,,,
BMGC_DG09638,BMG_DG147349,,,,
BMGC_DG09639,BMG_DG147350,,,,
BMGC_DG09640,BMG_DG147351,,,,
BMGC_DG09641,BMG_DG147352,,,,
BMGC_DG09642,BMG_DG147353,,,,
BMGC_DG09643,BMG_DG147354,,,,
BMGC_DG09644,BMG_DG147355,,,,
BMGC_DG09645,BMG_DG147356,,C([C@H](Oc1ccc(Oc2c(cc(cc2)Cl)Cl)cc1)C)(=O)O,,OOLBCHYXZDXLDS-SECBINFHSA-N
BMGC_DG09646,BMG_DG147357,C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl,O(c1ccc(O[C@H](C)C(=O)O)cc1)c2ncc(C(F)(F)F)cc2Cl,"InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1",GOCUAJYOYBLQRH-MRVPVSSYSA-N
BMGC_DG09647,BMG_DG147358,,,,
BMGC_DG09648,BMG_DG147360,,,,
BMGC_DG09649,BMG_DG147362,,,,
BMGC_DG09650,BMG_DG147364,,,,
BMGC_DG09651,BMG_DG147365,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,,"InChI=1S/C81H158O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h75-77,82H,5-74H2,1-4H3,(H,87,88)(H,89,90)/t76-,77-/m1/s1",XVTUQDWPJJBEHJ-KZCWQMDCSA-N
BMGC_DG09652,BMG_DG147370,,c1nc(cn1[C@@H]([C@H](C)O)CCc2cccc3ccccc23)C(=O)N,,OODDZQQDDOVCFD-SCLBCKFNSA-N
BMGC_DG09653,BMG_DG147371,,,,
BMGC_DG09654,BMG_DG147372,,,,
BMGC_DG09655,BMG_DG147373,,,,
BMGC_DG09656,BMG_DG147377,,c1cc(cc(c1OCC(C)(C)C)C#N)-n2ncc(c2)C(=O)O,,AETHRPHBGJAIBT-UHFFFAOYSA-N
BMGC_DG09657,BMG_DG147378,,,,
BMGC_DG09658,BMG_DG147380,,Cc1nc(-c2c(c[nH]n2)-c3nc4c(cc3)nccc4)ccc1,,LBPKYPYHDKKRFS-UHFFFAOYSA-N
BMGC_DG09659,BMG_DG147385,,c1c(ccc2ccccc12)CC(=O)Nc3n[nH]c(c3)C4CC4,,RIGZCVNCFXYBEG-UHFFFAOYSA-N
BMGC_DG09660,BMG_DG147386,,,,
BMGC_DG09661,BMG_DG147387,C/C(=C\CNC1=NC=NC2=C1NC=N2)/CO,c12c([nH]cn1)ncnc2NC/C=C(/CO)\C,"InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+",UZKQTCBAMSWPJD-FARCUNLSSA-N
BMGC_DG09662,BMG_DG147390,,,,
BMGC_DG09663,BMG_DG147391,,C(=O)(N1CCOCC1)[C@H]2CN(CCC2)C3CCN(CC3)C(=O)c4c5ccccc5cc6ccccc46,,LDQKDRLEMKIYMC-XMMPIXPASA-N
BMGC_DG09664,BMG_DG147396,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O,,"InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22+,26-/m1/s1",OEXFMSFODMQEPE-HDRQGHTBSA-N
BMGC_DG09665,BMG_DG147397,,,,
BMGC_DG09666,BMG_DG147399,,,,
BMGC_DG09667,BMG_DG147400,,,,
BMGC_DG09668,BMG_DG147401,,,,
BMGC_DG09669,BMG_DG147402,,Clc1ccc(-c2cc(C3CCNCC3)[nH]n2)cc1,,GELALLNTKKLQLM-UHFFFAOYSA-N
BMGC_DG09670,BMG_DG147403,,CSc1nc(-c2ccc(Cl)cc2)n[nH]1,,YXVAYMRODBYXIQ-UHFFFAOYSA-N
BMGC_DG09671,BMG_DG147410,,NC(=O)c1cccc(O)c1O,,QCIDBNKTKNBPKM-UHFFFAOYSA-N
BMGC_DG09672,BMG_DG147412,,,,
BMGC_DG09673,BMG_DG147413,,,,
BMGC_DG09674,BMG_DG147414,,,,
BMGC_DG09675,BMG_DG147415,,,,
BMGC_DG09676,BMG_DG147416,,,,
BMGC_DG09677,BMG_DG147417,,,,
BMGC_DG09678,BMG_DG147418,,C([C@H](CC)C)(=O)O[C@H]1C[C@H](C=C2C=C[C@@H]([C@@H]([C@@]12[H])CC[C@@H]3N(C(C[C@@H](C3)O)=O)Cc4cc5ccc(c(c5cc4)CO)OC)C)C,,WPVRNXUYVXQXPY-YFAYRSKXSA-N
BMGC_DG09679,BMG_DG147419,,C([C@H](CC)C)(=O)O[C@H]1C[C@H](C=C2C=C[C@@H]([C@@H]([C@@]12[H])CC[C@@H]3C[C@@H](N(C(O3)=O)Cc4cc(c(cc4)O)OC)CC(=O)NC)C)C,,XGCZRGJUCNQVCO-XFAJEYMZSA-N
BMGC_DG09680,BMG_DG147420,CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C,C(\C(\C)=C/C=C/C(/C)=C/C(=O)O)=C/C1=C(CCCC1(C)C)C,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+",SHGAZHPCJJPHSC-ZVCIMWCZSA-N
BMGC_DG09681,BMG_DG147421,,,,
BMGC_DG09682,BMG_DG147422,CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C,,"InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/p+1/t13-/m1/s1",CXTATJFJDMJMIY-CYBMUJFWSA-O
BMGC_DG09683,BMG_DG147423,,C1[C@](OC(N1)=O)(c2ccc(OC)c(OCCC)c2)C,,PCCPERGCFKIYIS-AWEZNQCLSA-N
BMGC_DG09684,BMG_DG147424,C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F,O(CC1CC1)c2c(OC(F)F)ccc(C(Nc3c(Cl)cncc3Cl)=O)c2,"InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)",MNDBXUUTURYVHR-UHFFFAOYSA-N
BMGC_DG09685,BMG_DG147426,,,,
BMGC_DG09686,BMG_DG147427,,,,
BMGC_DG09687,BMG_DG147428,,C1([C@H](CON1)N)=O,,DYDCUQKUCUHJBH-REOHCLBHSA-N
BMGC_DG09688,BMG_DG147429,,,,
BMGC_DG09689,BMG_DG147432,CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N,N(C([C@@H](NC([C@H]1N(C(=O)[C@H]2NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@]([C@H](CC)C)(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCSSC2)[H])CCC1)=O)CC(C)C)=O)CC(=O)N,"InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1",GTYWGUNQAMYZPF-QPLNMOKZSA-N
BMGC_DG09690,BMG_DG147434,C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNC/C=C/C3=CC=C(C=C3)Br,S(c1c2c(cncc2)ccc1)(=O)(=O)NCCNC\C=C\c3ccc(Br)cc3,"InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+",ZKZXNDJNWUTGDK-NSCUHMNNSA-N
BMGC_DG09691,BMG_DG147435,,,,
BMGC_DG09692,BMG_DG147436,,,,
BMGC_DG09693,BMG_DG147437,,,,
BMGC_DG09694,BMG_DG147438,,,,
BMGC_DG09695,BMG_DG147443,CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C,N1(C(NC(C1=O)(C)C)=O)c2cc(C(F)(F)F)c([N+]([O-])=O)cc2,"InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)",XWXYUMMDTVBTOU-UHFFFAOYSA-N
BMGC_DG09696,BMG_DG147444,,,,
BMGC_DG09697,BMG_DG147445,C([C@H]([C@H](C(=O)O)O)O)OP(=O)(O)O,,"InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3-/m1/s1",ZCZXOHUILRHRQJ-PWNYCUMCSA-N
BMGC_DG09698,BMG_DG147447,,,,
BMGC_DG09699,BMG_DG147448,,,,
BMGC_DG09700,BMG_DG147449,,,,
BMGC_DG09701,BMG_DG147453,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,C1(=C[C@H]([C@@H]([C@H](C1)N)NC(=O)C)OC(CC)CC)C(=O)O,"InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1",NENPYTRHICXVCS-YNEHKIRRSA-N
BMGC_DG09702,BMG_DG147454,,,,
BMGC_DG09703,BMG_DG147456,CC1=C(C(C(=C(N1)C#N)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C,C=1(C(C(C(=O)OC)=C(NC1C)C#N)c2cc([N+]([O-])=O)ccc2)C(OC(C)C)=O,"InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3",FAIIFDPAEUKBEP-UHFFFAOYSA-N
BMGC_DG09704,BMG_DG147461,CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3,C(=C(\c1ccccc1)/CC)(\c2ccc(cc2)OCCN(C)C)/c3ccc(cc3)O,"InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-",TXUZVZSFRXZGTL-QPLCGJKRSA-N
BMGC_DG09705,BMG_DG147463,,C([C@H]1O[C@@H](O)[C@H](N)[C@@H](O)[C@H]1O)O,,MSWZFWKMSRAUBD-VFUOTHLCSA-N
BMGC_DG09706,BMG_DG147466,,,,
BMGC_DG09707,BMG_DG147468,,,,
BMGC_DG09708,BMG_DG147469,CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2,S(Nc1c(cc([N+]([O-])=O)cc1)Oc2ccccc2)(=O)(C)=O,"InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3",HYWYRSMBCFDLJT-UHFFFAOYSA-N
BMGC_DG09709,BMG_DG147470,,,,
BMGC_DG09710,BMG_DG147471,C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N,,"InChI=1S/C27H49N9O10S2/c28-16(26(43)44)4-6-20(37)35-18(14-47)24(41)33-12-22(39)31-10-2-1-8-30-9-3-11-32-23(40)13-34-25(42)19(15-48)36-21(38)7-5-17(29)27(45)46/h16-19,30,47-48H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1",PHDOXVGRXXAYEB-VJANTYMQSA-N
BMGC_DG09711,BMG_DG147477,,,,
BMGC_DG09712,BMG_DG147479,,,,
BMGC_DG09713,BMG_DG147482,,C(CCCN)C(O)=O,,JJMDCOVWQOJGCB-UHFFFAOYSA-N
BMGC_DG09714,BMG_DG147485,CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3,c12C(c3ccccc3)=NCC(N(c1ccc(c2)[N+](=O)[O-])C)=O,"InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3",GWUSZQUVEVMBPI-UHFFFAOYSA-N
BMGC_DG09715,BMG_DG147489,,,,
BMGC_DG09716,BMG_DG147498,,C1[N]23CC([O-][Gd+3]45673([O-]C(C[N]4(CC2)CC[N]6(CC([O-]5)=O)CC(=O)[O-]7)=O)[O-]C1=O)=O,,IZOOGPBRAOKZFK-UHFFFAOYSA-I
BMGC_DG09717,BMG_DG147502,CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)O[11CH3],C1(N(C(CC)=O)c2ccccc2)(C(=O)O[11CH3])CCN(CC1)CCc3ccccc3,"InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3/i2-1",YDSDEBIZUNNPOB-JVVVGQRLSA-N
BMGC_DG09718,BMG_DG147503,CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC,CC(C)OC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC)C,"InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3",UIAGMCDKSXEBJQ-UHFFFAOYSA-N
BMGC_DG09719,BMG_DG147514,,C(=O)(O)C1CCCNC1,,XJLSEXAGTJCILF-UHFFFAOYSA-N
BMGC_DG09720,BMG_DG147524,CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC,C=1(C(C(C(=O)OC)=C(NC1C)C)c2c([N+]([O-])=O)cccc2)C(OCC(C)C)=O,"InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3",VKQFCGNPDRICFG-UHFFFAOYSA-N
BMGC_DG09721,BMG_DG147529,,C(c1ccccc1)(Oc2c(cccc2)OC)CCNC,,ITJNARMNRKSWTA-UHFFFAOYSA-N
BMGC_DG09722,BMG_DG147536,CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[Gd+3],,"InChI=1S/C23H33N3O11.Gd/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);/q;+3",PCZHWPSNPWAQNF-UHFFFAOYSA-N
BMGC_DG09723,BMG_DG147537,,c12cc3c(cc2OCO1)ccc4c5cc(c(OC)cc5c[n+](c43)C)OC,,KKMPSGJPCCJYRV-UHFFFAOYSA-N
BMGC_DG09724,BMG_DG147545,C1=CC(=CC(=C1)O)C(=O)NCC(=O)O,OC(=O)CNC(=O)c1cc(ccc1)O,"InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)",XDOFWFNMYJRHEW-UHFFFAOYSA-N
BMGC_DG09725,BMG_DG147553,,Cn1ccc(=O)c(S(N)(=O)=O)c1,,HTPSIFNKXNIAJZ-UHFFFAOYSA-N
BMGC_DG09726,BMG_DG147598,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)[18F])O)O)O,C(O)[C@@H]1[C@@H](O)[C@H](O)[C@H]([C@H](O1)O)[18F],"InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1/i7-1",ZCXUVYAZINUVJD-AHXZWLDOSA-N
BMGC_DG09727,BMG_DG147632,C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3,c12C(=NCC(Nc1ccc([N+]([O-])=O)c2)=O)c3ccccc3,"InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)",KJONHKAYOJNZEC-UHFFFAOYSA-N
BMGC_DG09728,BMG_DG147633,C1C(CC1(C(=O)O)N)[18F],[C@]1(N)(C(O)=O)C[C@@H](C1)[18F],"InChI=1S/C5H8FNO2/c6-3-1-5(7,2-3)4(8)9/h3H,1-2,7H2,(H,8,9)/i6-1",NTEDWGYJNHZKQW-KWCOIAHCSA-N;NTEDWGYJNHZKQW-DGMDOPGDSA-N
BMGC_DG09729,BMG_DG147637,CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C,C=1(C(C(C(=O)OC)=C(NC1C)C)c2cc([N+]([O-])=O)ccc2)C(=O)OCC,"InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3",PVHUJELLJLJGLN-UHFFFAOYSA-N
BMGC_DG09730,BMG_DG147653,,Cc1c(c(O)cc(O)c1)[C@]2([C@H](C(C)=C)CCC(C)=C2)[H],,KDZOUSULXZNDJH-LSDHHAIUSA-N
BMGC_DG09731,BMG_DG147692,C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-],[N+](OC(CO[N+]([O-])=O)CO[N+]([O-])=O)([O-])=O,"InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2",SNIOPGDIGTZGOP-UHFFFAOYSA-N
BMGC_DG09732,BMG_DG147693,CCCCCCCCCC[C@H]1[C@@H](OC1=O)CCC2=CC(=C(C=C2)OC)OC,,"InChI=1S/C23H36O4/c1-4-5-6-7-8-9-10-11-12-19-20(27-23(19)24)15-13-18-14-16-21(25-2)22(17-18)26-3/h14,16-17,19-20H,4-13,15H2,1-3H3/t19-,20-/m0/s1",ASVWFAVGLYUDFD-PMACEKPBSA-N
BMGC_DG09733,BMG_DG147695,C[C@@H]1CN(CCN1C2=NC=C(N=C2)C(C)(C)O)C3=NN=C(C(=C3C)C)CC4=CC=CC=C4,c1(cnc(cn1)N2[C@@H](CN(CC2)c3c(c(c(nn3)Cc4ccccc4)C)C)C)C(O)(C)C,"InChI=1S/C25H32N6O/c1-17-16-30(11-12-31(17)23-15-26-22(14-27-23)25(4,5)32)24-19(3)18(2)21(28-29-24)13-20-9-7-6-8-10-20/h6-10,14-15,17,32H,11-13,16H2,1-5H3/t17-/m1/s1",POERAARDVFVDLO-QGZVFWFLSA-N
BMGC_DG09734,BMG_DG147701,,n1(ncc(c1)C(=O)O)-c2nc3c([nH]2)cc(c(c3)OC(F)(F)F)Cl,,FXHHASJVTYRJHH-UHFFFAOYSA-N
BMGC_DG09735,BMG_DG147702,,O[C@H]1[C@@H](O[C@H](COP(OP(OP(O)(O)=O)(=O)O)(O)=O)[C@H]1O)n2cc(OC)c(=O)[nH]c2=O,,ULUMTYRKOVZPNM-JXOAFFINSA-N
BMGC_DG09736,BMG_DG147727,CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCC5=CC(=NC=C5)NC(=O)COC,C(COC)(=O)Nc1cc(ccn1)COc2ccc(c3ccccc23)NC(=O)Nc4cc(nn4-c5ccc(cc5)C)C(C)(C)C,"InChI=1S/C34H36N6O4/c1-22-10-12-24(13-11-22)40-31(19-29(39-40)34(2,3)4)38-33(42)36-27-14-15-28(26-9-7-6-8-25(26)27)44-20-23-16-17-35-30(18-23)37-32(41)21-43-5/h6-19H,20-21H2,1-5H3,(H,35,37,41)(H2,36,38,42)",RTDCVLCTBQDLBW-UHFFFAOYSA-N
BMGC_DG09737,BMG_DG147731,CC1=CN=C(C=N1)C(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@]3(NC(=O)[C@@H]4C[C@H](CN4C2=O)OC5=NC6=CC=CC=C6C7=CC=CC=C75)C(=O)NS(=O)(=O)C8CC8,N(S(=O)(C1CC1)=O)C([C@]23NC(=O)[C@]4(N(C([C@H](CCCCC/C=C\[C@]2([H])C3)NC(=O)c5ncc(C)nc5)=O)C[C@H](Oc6nc7c(c8c6cccc8)cccc7)C4)[H])=O,"InChI=1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5-/t25-,26-,32+,34+,40-/m1/s1",UAUIUKWPKRJZJV-QPLHLKROSA-N
BMGC_DG09738,BMG_DG147733,C1CC1C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)CC#N,,"InChI=1S/C18H17N7/c19-9-7-12-1-5-14(6-2-12)21-18-20-10-8-16(23-18)22-17-11-15(24-25-17)13-3-4-13/h1-2,5-6,8,10-11,13H,3-4,7H2,(H3,20,21,22,23,24,25)",YRRRHSNOXWKVDL-UHFFFAOYSA-N
BMGC_DG09739,BMG_DG147757,COC1=C(C=C(C=C1)C(F)(F)F)N2[C@H](C3=C(C(=CC=C3)F)N=C2N4CCN(CC4)C5=CC(=CC=C5)OC)CC(=O)O,c1(C(F)(F)F)cc(N2C(=Nc3c(cccc3F)[C@@H]2CC(=O)O)N4CCN(c5cccc(c5)OC)CC4)c(OC)cc1,"InChI=1S/C29H28F4N4O4/c1-40-20-6-3-5-19(16-20)35-11-13-36(14-12-35)28-34-27-21(7-4-8-22(27)30)23(17-26(38)39)37(28)24-15-18(29(31,32)33)9-10-25(24)41-2/h3-10,15-16,23H,11-14,17H2,1-2H3,(H,38,39)/t23-/m0/s1",FWYSMLBETOMXAG-QHCPKHFHSA-N
BMGC_DG09740,BMG_DG147759,,O[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n2cc(C)c(=O)[nH]c2=O,,RZCIEJXAILMSQK-JXOAFFINSA-N
BMGC_DG09741,BMG_DG147762,CS(=O)(=O)O.C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4,c1(ncccc1C(=O)Nc2ccc(cc2)C3(CCCC3)C#N)NCc4ccncc4.CS(=O)(=O)O,"InChI=1S/C24H23N5O.CH4O3S/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18;1-5(2,3)4/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30);1H3,(H,2,3,4)",FYJROXRIVQPKRY-UHFFFAOYSA-N
BMGC_DG09742,BMG_DG147764,CCN(CC)CC1=NC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3Cl,c1cnc(CN(CC)CC)n1-c2ccc([N+](=O)[O-])cc2C(c3ccccc3Cl)=O,"InChI=1S/C21H21ClN4O3/c1-3-24(4-2)14-20-23-11-12-25(20)19-10-9-15(26(28)29)13-17(19)21(27)16-7-5-6-8-18(16)22/h5-13H,3-4,14H2,1-2H3",WZGBZLHGOVJDET-UHFFFAOYSA-N
BMGC_DG09743,BMG_DG147765,CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O,c12C(c3c(O)cccc3C(c1cc4[C@H]([C@@](O)(CC)C[C@@H](c4c2O)O[C@]5(C[C@H](N(C)C)[C@@H]([C@@H](O5)C)O[C@@]6(O[C@@H](C)[C@H]([C@H](C6)O)O[C@@]7(O[C@@H](C)C(CC7)=O)[H])[H])[H])C(=O)OC)=O)=O,"InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1",USZYSDMBJDPRIF-SVEJIMAYSA-N
BMGC_DG09744,BMG_DG147767,CN1C=C(C=N1)C2=CC3=C(C=CC4=C(C3=O)C=C(C=C4)CS(=O)(=O)NCC5=CC=CC=N5)N=C2,C(S(=O)(=O)NCc1ccccn1)c2ccc3c(c(c4c(ncc(c4)-c5cnn(c5)C)cc3)=O)c2,"InChI=1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3",VMJFTOSOFDEKTM-UHFFFAOYSA-N
BMGC_DG09745,BMG_DG147769,C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=N)N,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO)O)nc(C(=N)N)nc1,"InChI=1S/C8H13N5O4/c9-6(10)7-11-2-13(12-7)8-5(16)4(15)3(1-14)17-8/h2-5,8,14-16H,1H2,(H3,9,10)/t3-,4-,5-,8-/m1/s1",NHKZSTHOYNWEEZ-AFCXAGJDSA-N
BMGC_DG09746,BMG_DG147774,,[C@@H]1(C[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@@]([C@@H](CCC(=O)O)C)(CC4)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H])OS(=O)(=O)O,,AXDXVEYHEODSPN-HVATVPOCSA-N
BMGC_DG09747,BMG_DG147787,,,,
BMGC_DG09748,BMG_DG147788,C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)CO)O,C1[C@@H]([C@@H](CO)O[C@H]1n2cnc(N)nc2=O)O,"InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1",XAUDJQYHKZQPEU-KVQBGUIXSA-N
BMGC_DG09749,BMG_DG147791,C[C@]12[C@H]([C@H](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC,,"InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1",HKSZLNNOFSGOKW-HMWZOHBLSA-N
BMGC_DG09750,BMG_DG147793,C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C,,"InChI=1S/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,23,30)(H,26,27)/t7-,8+,10+,11+,13+,14+,15+,19+/m0/s1",BSOQXXWZTUDTEL-ZUYCGGNHSA-N
BMGC_DG09751,BMG_DG147808,C1[C@H]([C@@H]([C@H](N1)CO)O)O,,"InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m1/s1",OQEBIHBLFRADNM-UOWFLXDJSA-N
BMGC_DG09752,BMG_DG147813,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,P([O-])(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(=O)OCC[N+](C)(C)C,"InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1",KILNVBDSWZSGLL-KXQOOQHDSA-N
BMGC_DG09753,BMG_DG147814,,C1Oc2ccc(cc2O1)-c3nc([nH]c3-c4ncccc4)-c5ccc(cc5)C(N)=O,,FHYUGAJXYORMHI-UHFFFAOYSA-N
BMGC_DG09754,BMG_DG147815,,Cc1cn([C@H]2C[C@H](n3ccnn3)[C@@H](CO)O2)c(=O)[nH]c1=O,,CPWUCLYZTKEZPT-IVZWLZJFSA-N
BMGC_DG09755,BMG_DG147824,CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O)O,OCC(C)(C)[C@H](C(NCCC(NCCSSCCNC(CCNC([C@@H](C(CO)(C)C)O)=O)=O)=O)=O)O,"InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)/t17-,18-/m0/s1",DJWYOLJPSHDSAL-ROUUACIJSA-N
BMGC_DG09756,BMG_DG147834,COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O,[C@]12([C@@H](c3cc4OCOc4cc3[C@H]([C@]1(C(=O)OC2)[H])c5cc(OC)c(c(c5)OC)O)O[C@]6([C@@H]([C@@H](O)[C@]7([C@](O6)(CO[C@@H](c8sccc8)O7)[H])[H])O)[H])[H],"InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1",NRUKOCRGYNPUPR-QBPJDGROSA-N
BMGC_DG09757,BMG_DG147860,,Nc1ncnc2c1ncn2C3CCC3,,JGFAEEKLMAWINF-UHFFFAOYSA-N
BMGC_DG09758,BMG_DG147878,,,,
BMGC_DG09759,BMG_DG147891,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O,,"InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t14-,18-,19-,20+,24-/m1/s1",OJFDKHTZOUZBOS-CITAKDKDSA-J
BMGC_DG09760,BMG_DG147946,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O,,"InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/t26-,30-,31-,32+,36-/m1/s1",MNBKLUUYKPBKDU-BBECNAHFSA-J
BMGC_DG09761,BMG_DG148001,C([C@@H](C(=O)[O-])[NH3+])SS,,"InChI=1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1",XBKONSCREBSMCS-REOHCLBHSA-N
BMGC_DG09762,BMG_DG148048,,,,
BMGC_DG09763,BMG_DG148051,CC1=CC=C(C=C1)C(=O)C(C)NC,c1cc(ccc1C(C(C)NC)=O)C,"InChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3",YELGFTGWJGBAQU-UHFFFAOYSA-N
BMGC_DG09764,BMG_DG148070,,C(=O)(c1c2c(n(c1)CCCCC)cccc2)c3c4c(ccc(c4)CC)ccc3,,NLUGKAUYCBHVKU-UHFFFAOYSA-N
BMGC_DG09765,BMG_DG148071,,C(=O)(c1c2c(n(c1)CCC)cccc2)c3c4c(c(cc3)CC)cccc4,,NDMJIRUJOQIHLL-UHFFFAOYSA-N
BMGC_DG09766,BMG_DG148072,,C(=O)(c1c2c(n(c1)CCCCC)cccc2)c3c4c(c(cc3)OCC)cccc4,,XBWLJRIQVBWALY-UHFFFAOYSA-N
BMGC_DG09767,BMG_DG148073,C[C@@H](C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)NCCO)NC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@H](C(C)C)NC=O,,"InChI=1S/C96H135N19O16/c1-50(2)36-71(105-79(118)48-102-93(128)80(54(9)10)103-49-117)86(121)104-58(17)84(119)113-82(56(13)14)95(130)115-83(57(15)16)96(131)114-81(55(11)12)94(129)112-78(43-62-47-101-70-33-25-21-29-66(62)70)92(127)108-74(39-53(7)8)89(124)111-77(42-61-46-100-69-32-24-20-28-65(61)69)91(126)107-73(38-52(5)6)88(123)110-76(41-60-45-99-68-31-23-19-27-64(60)68)90(125)106-72(37-51(3)4)87(122)109-75(85(120)97-34-35-116)40-59-44-98-67-30-22-18-26-63(59)67/h18-33,44-47,49-58,71-78,80-83,98-101,116H,34-43,48H2,1-17H3,(H,97,120)(H,102,128)(H,103,117)(H,104,121)(H,105,118)(H,106,125)(H,107,126)(H,108,127)(H,109,122)(H,110,123)(H,111,124)(H,112,129)(H,113,119)(H,114,131)(H,115,130)/t58-,71+,72+,73+,74+,75-,76-,77-,78-,80-,81+,82+,83-/m0/s1",NDAYQJDHGXTBJL-MWWSRJDJSA-N
BMGC_DG09768,BMG_DG148075,,C(=O)(c1c2c(n(CCC)c1C)cccc2)c3c4c(c(C)cc3)cccc4,,WRIOMNWYCFMMEY-UHFFFAOYSA-N
BMGC_DG09769,BMG_DG148076,,c1(c(n(CCCCC)c2c1cccc2)C)C(c3c4c(c(C)cc3)cccc4)=O,,JTJAMXUOXJGSCW-UHFFFAOYSA-N
BMGC_DG09770,BMG_DG148077,,C(=O)(c1c2c(n(c1)CCC)cccc2)c3c4c(ccc(c4)CC)ccc3,,KRWLDGSOXOZAQJ-UHFFFAOYSA-N
BMGC_DG09771,BMG_DG148080,,n12c(c(c3ccccc13)CC(=O)O)CC[C@H](C2)N(C)S(=O)(=O)c4ccc(cc4)F,,JTCAGRAKUAAYDY-OAHLLOKOSA-N
BMGC_DG09772,BMG_DG148081,,,,
BMGC_DG09773,BMG_DG148082,,C(=O)(c1ccc(c2ccccc12)CCC)c3cn(c4ccccc34)CCCCC,,AKGUMDFQXWZHHS-UHFFFAOYSA-N
BMGC_DG09774,BMG_DG148083,,C(=O)(c1c2c(n(c1C)CCC)cccc2)c3c4c(c(cc3)CC)cccc4,,DGMWDWZKLFRCMQ-UHFFFAOYSA-N
BMGC_DG09775,BMG_DG148084,,C(=O)(c1c2c(n(c1C)CCCCC)cccc2)c3c4c(c(cc3)CC)cccc4,,JAVDQKMSPNBPCK-UHFFFAOYSA-N
BMGC_DG09776,BMG_DG148085,,C(=O)(c1c2c(n(c1C)CCC)cccc2)c3c4c(ccc(c4)CC)ccc3,,LDVRETBVOKFPCD-UHFFFAOYSA-N
BMGC_DG09777,BMG_DG148087,CN(C)C1=C(C(=NC(=N1)CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)N(C)C)CC(=O)O,c1(nc(c(c(n1)N(C)C)CC(O)=O)N(C)C)Cc2ccc(cc2)NC(c3ccc(cc3)C(F)(F)F)=O,"InChI=1S/C25H26F3N5O3/c1-32(2)22-19(14-21(34)35)23(33(3)4)31-20(30-22)13-15-5-11-18(12-6-15)29-24(36)16-7-9-17(10-8-16)25(26,27)28/h5-12H,13-14H2,1-4H3,(H,29,36)(H,34,35)",XEOSTBFUCNZKGS-UHFFFAOYSA-N
BMGC_DG09778,BMG_DG148088,,,,
BMGC_DG09779,BMG_DG148089,,O=C(c1c2ccccc2c(CC)cc1)c3c4ccccc4n(CCCCC)c3,,LACIUQLUNACUKC-UHFFFAOYSA-N
BMGC_DG09780,BMG_DG148094,,c1cccc2c(cn(c12)CCC)C(=O)c3cccc4c3cccc4,,IVLWWVXVWRIXSS-UHFFFAOYSA-N
BMGC_DG09781,BMG_DG148095,,c12c(cn(c1cccc2)CCCCC)C(c3cccc4ccc(OC)cc43)=O,,IJNSZBAEVYRFCH-UHFFFAOYSA-N
BMGC_DG09782,BMG_DG148096,,C(=O)(c1c2c(n(c1)CCC)cccc2)c3c4c(c(cc3)CCCC)cccc4,,XHIXPRIGTFMZHJ-UHFFFAOYSA-N
BMGC_DG09783,BMG_DG148100,,c1(c(n(CCCCC)c2c1cccc2)C)C(c3c4c(c(OC)cc3)cccc4)=O,,CNTCHEBQQFICNR-UHFFFAOYSA-N
BMGC_DG09784,BMG_DG148101,,O1C[C@H](n2c3c1c(c(cc3c(c(c2)C(=O)O)=O)F)N4CCN(CC4)C)C,,GSDSWSVVBLHKDQ-SNVBAGLBSA-N
BMGC_DG09785,BMG_DG148103,,,,
BMGC_DG09786,BMG_DG148106,,C[C@H](Nc1nc2c(c(n1)Nc3ncn(c3)C)cc[nH]2)c4ncc(cn4)F,,QHXBWJSQXSYAGG-VIFPVBQESA-N
BMGC_DG09787,BMG_DG148108,COC1=CC(=C(C=C1C(=O)NCC2CCN(CC2)CC[C@@H](C3=CC=C(C=C3)F)OC(=O)N)Cl)N,C(NCC1CCN(CC1)CC[C@H](OC(N)=O)c2ccc(cc2)F)(=O)c3c(OC)cc(c(c3)Cl)N,"InChI=1S/C24H30ClFN4O4/c1-33-22-13-20(27)19(25)12-18(22)23(31)29-14-15-6-9-30(10-7-15)11-8-21(34-24(28)32)16-2-4-17(26)5-3-16/h2-5,12-13,15,21H,6-11,14,27H2,1H3,(H2,28,32)(H,29,31)/t21-/m0/s1",KGMMSPVVHZGPHL-NRFANRHFSA-N
BMGC_DG09788,BMG_DG148113,CN1CC(C2=C(C1)C(=CC=C2)N)C3=CC=CC=C3,c12c(C(c3ccccc3)CN(C1)C)cccc2N,"InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3",XXPANQJNYNUNES-UHFFFAOYSA-N
BMGC_DG09789,BMG_DG148130,,c1-2c(cc(=O)c(cc1)O)[C@H](CCc3c2c(c(OC)c(c3)OC)OC)N,,IRVWPZRYDQROLU-ZDUSSCGKSA-N
BMGC_DG09790,BMG_DG148137,CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O,,"InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3",HCZKYJDFEPMADG-UHFFFAOYSA-N
BMGC_DG09791,BMG_DG148160,CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])O[C@@H](C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34+,35+,36+,37-,41?,52?,53?,56?,57?,59+,60-,61-,62-;;/m0../s1",FDJOLVPMNUYSCM-IQFXPAJWSA-L
BMGC_DG09792,BMG_DG148161,CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])O[C@@H](C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co+2],,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+2;/p-2/t31-,34+,35+,36+,37-,41?,52?,53?,56?,57?,59+,60-,61-,62-;;/m0../s1",DQOCFCZRZOAIBN-IQFXPAJWSA-L
BMGC_DG09793,BMG_DG148237,C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3,C([C@H](C)N[P@@](=O)(Oc1ccccc1)OC[C@H]2O[C@H]([C@]([C@@H]2O)(C)F)n3ccc([nH]c3=O)=O)(=O)OC(C)C,"InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1",TTZHDVOVKQGIBA-IQWMDFIBSA-N
BMGC_DG09794,BMG_DG148241,CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(C=C3)OC(=N4)N)N,n1c(c2c(nc1)n(nc2-c3ccc4c(c3)nc(o4)N)C(C)C)N,"InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)",GYLDXIAOMVERTK-UHFFFAOYSA-N
BMGC_DG09795,BMG_DG148242,C1COC2=C([C@@H]1N3C4=NC(=NC=C4NC3=O)N5C=NC6=C5C=C(C=C6)F)C=CC=C2F,,"InChI=1S/C21H14F2N6O2/c22-11-4-5-14-17(8-11)28(10-25-14)20-24-9-15-19(27-20)29(21(30)26-15)16-6-7-31-18-12(16)2-1-3-13(18)23/h1-5,8-10,16H,6-7H2,(H,26,30)/t16-/m1/s1",DBXGGXLBTWZXBB-MRXNPFEDSA-N
BMGC_DG09796,BMG_DG148247,C1=CC(=CC(=C1)O)C(CN)O,c1(cc(ccc1)O)C(CN)O,"InChI=1S/C8H11NO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8,10-11H,5,9H2",LRCXRAABFLIVAI-UHFFFAOYSA-N
BMGC_DG09797,BMG_DG148253,C[C@H]([C@@H](C)OC1=NC(=NC=C1C(F)(F)F)NC2=CC=C(C=C2)S(=N)(=O)C3CC3)O,,"InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1",UELYDGOOJPRWGF-MFOHZAOFSA-N
BMGC_DG09798,BMG_DG148261,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O,c1(c(c2cc(F)c(cc2n(c1)CC)N3CCNCC3)=O)C(=O)O,"InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)",OGJPXUAPXNRGGI-UHFFFAOYSA-N
BMGC_DG09799,BMG_DG148265,C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F,C=1(c2c(NC(CN1)=O)ccc(c2)Cl)c3c(F)cccc3,"InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)",UVCOILFBWYKHHB-UHFFFAOYSA-N
BMGC_DG09800,BMG_DG148270,COC(=O)C1=CC=CC=C1C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(=C4)N,,"InChI=1S/C21H16N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11,22H,23H2,1H3/p+1",FCGVBHISQBBIQF-UHFFFAOYSA-O
BMGC_DG09801,BMG_DG148274,C1[C@H](O[C@H](O1)CO)N2C=CC(=NC2=O)N,c1cn([C@@H]2CO[C@H](CO)O2)c(=O)nc1N,"InChI=1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1",RXRGZNYSEHTMHC-BQBZGAKWSA-N
BMGC_DG09802,BMG_DG148275,CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34,,"InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3",WWYNJERNGUHSAO-UHFFFAOYSA-N
BMGC_DG09803,BMG_DG148277,CCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC(=O)C(F)(F)F)O,c12c(C(=O)c3c(C1=O)cccc3OC)c(O)c4c(c2O)C[C@](C[C@@]4(O[C@H]5C[C@H](NC(C(F)(F)F)=O)[C@@H]([C@@H](O5)C)O)[H])(C(COC(=O)CCCC)=O)O,"InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,22-,27+,33-/m0/s1",ZOCKGBMQLCSHFP-KQRAQHLDSA-N
BMGC_DG09804,BMG_DG148278,,C=1(C([C@@]2([C@@](C1)([C@@]3([C@@](C=C(C2)CO)([C@H]4[C@@](C[C@H]3C)(C4(C)C)OC(=O)C)[H])O)[H])O)=O)C,,BOJKFRKNLSCGHY-HXGSDTCMSA-N
BMGC_DG09805,BMG_DG148279,CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31,C1(c2c(CCc3c1cccc3)cccc2)=CCCNC,"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3",PHVGLTMQBUFIQQ-UHFFFAOYSA-N
BMGC_DG09806,BMG_DG148381,,,,
BMGC_DG09807,BMG_DG148382,,,,
BMGC_DG09808,BMG_DG148385,,C([C@@H](C)N)n1c2c3c(oc(CC)c3)ccc2cn1,,QLOOWOVVZLBYHU-SECBINFHSA-N
BMGC_DG09809,BMG_DG148387,,C1C[C@@H](O)C[C@@]2([H])[C@H]([C@@H](O)[C@]3([C@@]4(CC[C@]([C@@H](C[C@@H](C(=O)O)C)C)([C@@]4(C)[C@@H](O)C[C@@]3([C@@]12C)[H])[H])[H])[H])CC,,NPBCMXATLRCCLF-IRRLEISYSA-N
BMGC_DG09810,BMG_DG148393,,CCNc1ccc(O)c2ccccc12,,SKQYPGROWSDIBN-UHFFFAOYSA-N
BMGC_DG09811,BMG_DG148394,,CC(C(=O)c1ccc(c(c1)Cl)Cl)NC(C)(C)C,,MXUDEADPGZWZCH-UHFFFAOYSA-N
BMGC_DG09812,BMG_DG148400,C1=CC=C(C=C1)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O,c1c(c(C(O)=O)cc([N+](=O)[O-])c1)NCCCc2ccccc2,"InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)",WBSMIPAMAXNXFS-UHFFFAOYSA-N
BMGC_DG09813,BMG_DG148410,CC(C)C1=C(C(=C2C(=C1)CCC3[C@@]2(CCCC3(C)C)C(=O)O)O)O,,"InChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/t14?,20-/m1/s1",QRYRORQUOLYVBU-YBMSBYLISA-N
BMGC_DG09814,BMG_DG148411,CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCCCC2,CS(=O)(=O)Nc1c(cc(cc1)[N+]([O-])=O)OC2CCCCC2,"InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3",KTDZCOWXCWUPEO-UHFFFAOYSA-N
BMGC_DG09815,BMG_DG148419,CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3],n1c2cc3[n-]c(cc4nc(C(C=C)=C4C)cc5[n-]c(c(C=C)c5C)cc1C(C)=C2CCC(=O)O)c(C)c3CCC(O)=O.[Fe+3].[Cl-],"InChI=1S/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3",BTIJJDXEELBZFS-UHFFFAOYSA-K;BTIJJDXEELBZFS-HXFTUNQESA-K
BMGC_DG09816,BMG_DG148421,,n1(c([nH]c(=O)c(c1)C)=O)[C@@H]2O[C@H](COP(O)(OP(O)(O)=O)=O)[C@H](C2)N=[N+]=[N-],,QOYVAFWJURKBJG-XLPZGREQSA-N
BMGC_DG09817,BMG_DG148425,,O[C@@H]1c2c3c(ccc2OC([C@@H]1O)(C)C)ccc(o3)=O,,HKXQUNNSKMWIKJ-DGCLKSJQSA-N
BMGC_DG09818,BMG_DG148426,CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC9=CNC=N9)N,,"InChI=1S/C184H282N50O60S/c1-16-94(10)147(178(289)213-114(52-58-144(257)258)163(274)218-121(73-101-77-195-105-39-24-23-38-103(101)105)168(279)215-116(68-90(2)3)165(276)205-107(41-26-28-61-186)158(269)219-122(75-134(189)243)154(265)198-79-135(244)196-83-139(248)231-63-30-43-129(231)175(286)225-127(87-238)174(285)223-125(85-236)155(266)200-80-136(245)202-96(12)181(292)233-65-32-45-131(233)183(294)234-66-33-46-132(234)182(293)232-64-31-44-130(232)176(287)222-124(84-235)150(190)261)229-170(281)119(71-99-34-19-17-20-35-99)217-166(277)117(69-91(4)5)214-159(270)108(42-29-62-194-184(191)192)212-177(288)146(93(8)9)228-151(262)95(11)203-156(267)111(49-55-141(251)252)208-161(272)112(50-56-142(253)254)209-162(273)113(51-57-143(255)256)210-164(275)115(59-67-295-15)211-160(271)110(47-53-133(188)242)207-157(268)106(40-25-27-60-185)206-172(283)126(86-237)224-167(278)118(70-92(6)7)216-169(280)123(76-145(259)260)220-173(284)128(88-239)226-180(291)149(98(14)241)230-171(282)120(72-100-36-21-18-22-37-100)221-179(290)148(97(13)240)227-138(247)82-199-153(264)109(48-54-140(249)250)204-137(246)81-197-152(263)104(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104,106-132,146-149,195,235-241H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H2,190,261)(H,193,201)(H,196,244)(H,197,263)(H,198,265)(H,199,264)(H,200,266)(H,202,245)(H,203,267)(H,204,246)(H,205,276)(H,206,283)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,271)(H,212,288)(H,213,289)(H,214,270)(H,215,279)(H,216,280)(H,217,277)(H,218,274)(H,219,269)(H,220,284)(H,221,290)(H,222,287)(H,223,285)(H,224,278)(H,225,286)(H,226,291)(H,227,247)(H,228,262)(H,229,281)(H,230,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)/t94-,95-,96-,97+,98+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,146-,147-,148-,149-/m0/s1",HTQBXNHDCUEHJF-XWLPCZSASA-N
BMGC_DG09819,BMG_DG148441,C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)OC(F)(F)F,FC(F)(F)Oc1ccc(cc1)CO[C@@H]2COc3nc([N+]([O-])=O)cn3C2,"InChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1",ZLHZLMOSPGACSZ-NSHDSACASA-N
BMGC_DG09820,BMG_DG148442,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl,,"InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1",XMAYWYJOQHXEEK-OZXSUGGESA-N
BMGC_DG09821,BMG_DG148443,,Clc1cc(ccc1)Nc2c3ncn(c3nc(n2)N[C@](C(C)C)(CO)[H])C(C)C,,PMXCMJLOPOFPBT-HNNXBMFYSA-N
BMGC_DG09822,BMG_DG148444,CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)O)SC2)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)CSc3n(nnn3)C)[H])NC([C@@H](c4ccccc4)O)=O,"InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1",OLVCFLKTBJRLHI-AXAPSJFSSA-N
BMGC_DG09823,BMG_DG148447,C1CCN[C@@H](C1)[C@@H](C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O,,"InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1",XEEQGYMUWCZPDN-SWLSCSKDSA-N
BMGC_DG09824,BMG_DG148448,,,,
BMGC_DG09825,BMG_DG148449,C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl,c1(n(ncc([nH]1)=O)-c2cc(Cl)c(c(c2)Cl)C(C#N)c3ccc(cc3)Cl)=O,"InChI=1S/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26)",ZSZFUDFOPOMEET-UHFFFAOYSA-N
BMGC_DG09826,BMG_DG148451,C1C[C@@H]([C@H](NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O,n1(c(c2cc(Cl)c(cc2nc1)Br)=O)CC(C[C@H]3NCCC[C@@H]3O)=O,"InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m1/s1",LVASCWIMLIKXLA-CABCVRRESA-N
BMGC_DG09827,BMG_DG148453,,n1c[nH]c2nc(nc(c12)OCC3CCCCC3)N,,MWGXGTJJAOZBNW-UHFFFAOYSA-N
BMGC_DG09828,BMG_DG148457,CC1=C(C(=O)CO1)O,O=C1C(=C(OC1)C)O,"InChI=1S/C5H6O3/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3",DLVYTANECMRFGX-UHFFFAOYSA-N
BMGC_DG09829,BMG_DG148458,,CCCC[C@H](C(O)=O)N,,LRQKBLKVPFOOQJ-RXMQYKEDSA-N
BMGC_DG09830,BMG_DG148460,,C1CCC(CC1)COc2c3c([nH]cn3)nc(Nc4cccc(c4)Cl)n2,,OUEGMEMDEAOAEG-UHFFFAOYSA-N
BMGC_DG09831,BMG_DG148461,C[C@H]([C@@H](C1=NC=C(C=C1)O)O)[C@@H](C(=O)N[C@@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N,n1([C@@H]2O[C@@]([C@H](NC([C@H]([C@@H]([C@@H](c3ncc(O)cc3)O)C)N)=O)C(=O)O)([H])[C@H]([C@H]2O)O)c([nH]c(=O)cc1)=O,"InChI=1S/C20H25N5O10/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1",WWJFFVUVFNBJTN-VHDFTHOZSA-N
BMGC_DG09832,BMG_DG148463,,O(CC1CCCCC1)c2c3c(nc(n2)Nc4ccc(cc4)S(N)(=O)=O)nc[nH]3,,OWXORKPNCHJYOF-UHFFFAOYSA-N
BMGC_DG09833,BMG_DG148466,CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O,N(C(C(c1ccc(cc1)O)O)C)C(CCc2ccccc2)C,"InChI=1S/C19H25NO2/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17/h3-7,10-15,19-22H,8-9H2,1-2H3",PTGXAUBQBSGPKF-UHFFFAOYSA-N
BMGC_DG09834,BMG_DG148473,C[N+]1=CC=CC(=C1)C(=O)N,c1cc(C(N)=O)c[n+](c1)C,"InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1",LDHMAVIPBRSVRG-UHFFFAOYSA-O
BMGC_DG09835,BMG_DG148478,C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C,c1(c2-c(oc3c(n2)c(C(N[C@@H]4C(N[C@@H](C(N5[C@](C(=O)N(CC(N([C@H](C(O[C@@H]4C)=O)C(C)C)C)=O)C)(CCC5)[H])=O)C(C)C)=O)=O)ccc3C)c(c(c1N)=O)C)C(N[C@@H]6C(N[C@@H](C(N7[C@](C(=O)N(CC(N([C@H](C(O[C@@H]6C)=O)C(C)C)C)=O)C)(CCC7)[H])=O)C(C)C)=O)=O,"InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1",RJURFGZVJUQBHK-IIXSONLDSA-N
BMGC_DG09836,BMG_DG148479,,[C@@]12([C@@](Cc3c([C@@H]1c4ccc(c(c4)OC)O)cc(c(c3)OC)O)(C(OC2)=O)[H])[H],,CAYMSCGTKZIVTN-TYILLQQXSA-N
BMGC_DG09837,BMG_DG148493,,O[C@H]1[C@H](O)[C@@H](O)[C@@H](CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)N[C@@H]1CO,,VCIPQQCYKMORDY-KBYFLBCBSA-N
BMGC_DG09838,BMG_DG148497,C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N,n1c2c(nc[nH]2)c(nc1N)OCc3ccccc3,"InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)",KRWMERLEINMZFT-UHFFFAOYSA-N
BMGC_DG09839,BMG_DG148537,,n1cccc2c(nc(c(c12)O)C(=O)NCc3ccc(cc3)F)N4S(CCCC4)(=O)=O,,DIDKWCOCQJWMDJ-UHFFFAOYSA-N
BMGC_DG09840,BMG_DG148538,C1=C(N=C(S1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N,c1(scc(n1)C(=O)N)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,"InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1",FVRDYQYEVDDKCR-DBRKOABJSA-N
BMGC_DG09841,BMG_DG148539,C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)(C)CO)O,C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@]1([H])CC[C@@]3([H])C[C@H]4[C@@](O)(CO)CC[C@]32C4;C[C@@]12[C@]34[C@@](C[C@H](C3)[C@](CC4)(CO)O)([H])CC[C@@]1([H])[C@@](CO)(C)[C@H](O)CC2,"InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1",NOFOAYPPHIUXJR-APNQCZIXSA-N
BMGC_DG09842,BMG_DG148540,CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)O,,"InChI=1S/C19H24N2O/c1-2-12-7-11-8-16-18-14(5-6-21(10-11)19(12)16)15-9-13(22)3-4-17(15)20-18/h3-4,9,11-12,16,19-20,22H,2,5-8,10H2,1H3",RAUCDOKTMDOIPF-UHFFFAOYSA-N
BMGC_DG09843,BMG_DG148542,,c1(c2oc(=O)ccc2cc3c1occ3)OC[C@@H]4C(O4)(C)C,,CTJZWFCPUDPLME-LLVKDONJSA-N
BMGC_DG09844,BMG_DG148547,C1=CC(=CC=C1C(CN)O)O,OC(c1ccc(cc1)O)CN,"InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2",QHGUCRYDKWKLMG-UHFFFAOYSA-N
BMGC_DG09845,BMG_DG148549,CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O,n12c3c(c(N4CCN(CC4)C)c(cc3c(c(c1)C(=O)O)=O)F)OCC2C,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)",GSDSWSVVBLHKDQ-UHFFFAOYSA-N
BMGC_DG09846,BMG_DG148562,,,,
BMGC_DG09847,BMG_DG148565,,c1cccc(c1)C(C(NCC)C)=O,,LYMHIBZGTAPASQ-UHFFFAOYSA-N
BMGC_DG09848,BMG_DG148575,,C(CCCCCCCC)c1ccc(B(O)O)cc1,,VONVJOGSLHAKOX-UHFFFAOYSA-N
BMGC_DG09849,BMG_DG148581,CN1C=NC2=C(N=C(N=C21)NCCO)NCC3=CC=CC=C3,C(CNc1nc2n(cnc2c(n1)NCc3ccccc3)C)O,"InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)",GTVPOLSIJWJJNY-UHFFFAOYSA-N
BMGC_DG09850,BMG_DG148586,CC1=C(C=C(C(=O)N1)C#N)C2=CN3C=CN=C3C=C2,c1(c(-c2ccc3n(ccn3)c2)cc(c([nH]1)=O)C#N)C,"InChI=1S/C14H10N4O/c1-9-12(6-11(7-15)14(19)17-9)10-2-3-13-16-4-5-18(13)8-10/h2-6,8H,1H3,(H,17,19)",JPAWFIIYTJQOKW-UHFFFAOYSA-N
BMGC_DG09851,BMG_DG148608,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,c1([nH]c2ccc(cc2n1)OC)[S+](Cc3c(c(OC)c(cn3)C)C)[O-],"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)",SUBDBMMJDZJVOS-UHFFFAOYSA-N
BMGC_DG09852,BMG_DG148610,CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C,c12c(n(C)c3c1cccc3)CCC(C2=O)Cn4c(ncc4)C,"InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3",FELGMEQIXOGIFQ-UHFFFAOYSA-N
BMGC_DG09853,BMG_DG148615,,n1cccc2c(ccc(c12)O)C(=O)O,,JGRPKOGHYBAVMW-UHFFFAOYSA-N
BMGC_DG09854,BMG_DG148617,,c1cc2ccc3c(c2nc1)[nH]cc(c3=O)C(=O)O,,XZZHOJONZJQARN-UHFFFAOYSA-N
BMGC_DG09855,BMG_DG148624,COC1=CC=CC=C1O,COc1ccccc1O,"InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3",LHGVFZTZFXWLCP-UHFFFAOYSA-N
BMGC_DG09856,BMG_DG148625,,C[C@@]12C=3[C@@](C)(OC=4C(C3)=CC(=O)C(=O)C4)CC[C@]1(C(C)(C)CCC2)[H],,QLFLHSQZFRDPFM-YYWHXJBOSA-N
BMGC_DG09857,BMG_DG148626,CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C,c1(C(c2ccccc2)OCCN(C)C)c(C)cccc1,"InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3",QVYRGXJJSLMXQH-UHFFFAOYSA-N
BMGC_DG09858,BMG_DG148628,C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)O)O,c1(C(Nc2ccc(O)cc2)=O)c(cccc1)O,"InChI=1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)",LGCMKPRGGJRYGM-UHFFFAOYSA-N
BMGC_DG09859,BMG_DG148637,C1(=NC(=O)NC(=O)N1)C(=O)O,[nH]1c([nH]c(nc1C(=O)O)=O)=O,"InChI=1S/C4H3N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h(H,8,9)(H2,5,6,7,10,11)",RYYCJUAHISIHTL-UHFFFAOYSA-N
BMGC_DG09860,BMG_DG148644,C1CC2=C3C(=CC=C2)N(S(=O)(=O)N3C1)CCN4CCC(=CC4)C5=CNC6=C5C=CC(=C6)F,N12CCCc3cccc(c13)N(S2(=O)=O)CCN4CC=C(CC4)c5c[nH]c6cc(ccc56)F,"InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17-8-11-27(12-9-17)13-14-28-23-5-1-3-18-4-2-10-29(24(18)23)32(28,30)31/h1,3,5-8,15-16,26H,2,4,9-14H2",BJIPVHLRWSDKOS-UHFFFAOYSA-N
BMGC_DG09861,BMG_DG148649,C1=CC(=CC=C1C[C@@H](C(=O)O)N)N(CCCl)CCCl,OC(=O)[C@@H](N)Cc1ccc(N(CCCl)CCCl)cc1,"InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1",SGDBTWWWUNNDEQ-LBPRGKRZSA-N
BMGC_DG09862,BMG_DG148652,,Cc1nc-2c(=O)n(C)c(=O)nc2n(C)n1,,CPXHNWKHOFNPDO-UHFFFAOYSA-N
BMGC_DG09863,BMG_DG148654,,C(O[C@H]1[C@H](O)[C@H](O)C=C(C(O)=O)C1)(=O)c2cc(O)c(O)c(O)c2,,NTNQTAISNHFKRA-CKYFFXLPSA-N
BMGC_DG09864,BMG_DG148655,,c1(cc(ccc1)C(C)N(C)C)OC(=O)NC,,KQOUPMYYRQWZLI-UHFFFAOYSA-N
BMGC_DG09865,BMG_DG148662,,S1CCNC(c2c1c3c(s2)ccc(c3)OC)=O,,KGMSYXGSYGEHIS-UHFFFAOYSA-N
BMGC_DG09866,BMG_DG148663,CC(C)NCC1CCC2=CC(=C(C=C2N1)[N+](=O)[O-])CO,[N+](c1cc2NC(CNC(C)C)CCc2cc1CO)([O-])=O,"InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3",XCGYUJZMCCFSRP-UHFFFAOYSA-N
BMGC_DG09867,BMG_DG148665,,n1(c([nH]c(c(c1)C)=O)=O)[C@@H]2O[C@H](COP(O)(O)=O)C=C2,,XLPGURCDSRIXFL-JGVFFNPUSA-N
BMGC_DG09868,BMG_DG148666,,,,
BMGC_DG09869,BMG_DG148671,C1CC12CN(C[C@H]2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)[C@@H]5C[C@@H]5F)F,n1(c2c(cc(c(N3CC4(CC4)[C@@H](C3)N)c2Cl)F)c(=O)c(C(=O)O)c1)[C@@H]5C[C@@H]5F,"InChI=1S/C19H18ClF2N3O3/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28)/t10-,12+,13+/m0/s1",PNUZDKCDAWUEGK-CYZMBNFOSA-N
BMGC_DG09870,BMG_DG148672,C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3,c1(c(oc(n1)CCC(=O)O)-c2ccccc2)-c3ccccc3,"InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)",OFPXSFXSNFPTHF-UHFFFAOYSA-N
BMGC_DG09871,BMG_DG148673,C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5,c1(n(c2ccccc2[nH]1)CCCN3CCN(CC3)C(c4ccccc4)c5ccccc5)=O,"InChI=1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)",BAINIUMDFURPJM-UHFFFAOYSA-N
BMGC_DG09872,BMG_DG148680,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,N1=C(c2c(ccc(c2)Cl)NC(C1O)=O)c3ccccc3,"InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)",ADIMAYPTOBDMTL-UHFFFAOYSA-N
BMGC_DG09873,BMG_DG148683,,C(CC(N)=O)(N1C(=O)c2c(C1=O)cccc2)c3cc(OC)c(cc3)OC,,GKPXSGPDRIUIAD-UHFFFAOYSA-N
BMGC_DG09874,BMG_DG148684,,N1(C(c2ccccc2C1=O)=O)C(CC(=O)N)c3ccccc3,,ZJZWDDCSXLSDJG-UHFFFAOYSA-N
BMGC_DG09875,BMG_DG148792,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+2],,"InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;/m1./s1",ASARMUCNOOHMLO-FSANSEACSA-L
BMGC_DG09876,BMG_DG148794,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co],,"InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;/m1./s1",FEZWOUWWJOYMLT-FSANSEACSA-M
BMGC_DG09877,BMG_DG148900,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N,[C@H](Cc1ccccc1)(C(N[C@@H](CC(C)C)C(O)=O)=O)NC(CNC(CNC([C@H](Cc2ccc(O)cc2)N)=O)=O)=O,"InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1",URLZCHNOLZSCCA-VABKMULXSA-N
BMGC_DG09878,BMG_DG148907,C1CCC(C1)C[C@@H](C(=O)NC2=NC=C(C=C2)C(=O)O)N3C=C(N=C3)C(F)(F)F,OC(=O)c1ccc(NC(=O)[C@@H](n2cc(C(F)(F)F)nc2)CC3CCCC3)nc1,"InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-23-14)13(7-11-3-1-2-4-11)16(26)24-15-6-5-12(8-22-15)17(27)28/h5-6,8-11,13H,1-4,7H2,(H,27,28)(H,22,24,26)/t13-/m0/s1",GKMLFBRLRVQVJO-ZDUSSCGKSA-N
BMGC_DG09879,BMG_DG148916,CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C,C1(=C(C(=O)C(=C(C1=O)C)CC[C@@](CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)(O)C)C)C,"InChI=1S/C29H44O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h12,14,16,32H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1",LNOVHERIIMJMDG-XZXLULOTSA-N
BMGC_DG09880,BMG_DG148919,CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(S3)N[C@@H]4CCCC[C@H]4O,c1(cc(ccn1)Oc2ccc3nc(sc3c2)N[C@H]4[C@@H](CCCC4)O)C(=O)NC,"InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1",ADZBMFGQQWPHMJ-RHSMWYFYSA-N
BMGC_DG09881,BMG_DG148921,,N1(C(C=CC1=O)=O)CCCCCCCCCCC(=O)O,,UVZTZBRGZXIBLZ-UHFFFAOYSA-N
BMGC_DG09882,BMG_DG148930,C1C[C@@H](N(C1)C2=NC3=C(C=NN3C=C2)NC(=O)N4CC[C@@H](C4)O)C5=C(C=CC(=C5)F)F,c1cn2c(nc1N3CCC[C@@H]3c4c(ccc(c4)F)F)c(cn2)NC(N5C[C@H](CC5)O)=O,"InChI=1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1",NYNZQNWKBKUAII-KBXCAEBGSA-N
BMGC_DG09883,BMG_DG148932,C1CNCCC1C2=CC=CC=C2COC3=C(C=C(C=C3F)F)F,C(Oc1c(F)cc(cc1F)F)c2c(cccc2)C3CCNCC3,"InChI=1S/C18H18F3NO/c19-14-9-16(20)18(17(21)10-14)23-11-13-3-1-2-4-15(13)12-5-7-22-8-6-12/h1-4,9-10,12,22H,5-8,11H2",TZIALEBTHQWNAO-UHFFFAOYSA-N
BMGC_DG09884,BMG_DG148935,,COc1ccc(CNC(c2cc(-c3cncc(C)c3)ncc2-c4nccs4)=O)nc1OC,,VSOUDUXMPUHJEU-UHFFFAOYSA-N
BMGC_DG09885,BMG_DG148937,,c1(nc2c(n1C)cccc2)CN3CCN(CC3)c4ncc(cn4)Cl,,IXXZGBOSQDVMTC-UHFFFAOYSA-N
BMGC_DG09886,BMG_DG148938,CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C,C(CC(C)C)(=O)Nc1c2c([nH]n1)C(N(C2)C(=O)C3CCN(CC3)C)(C)C,"InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)",HUXYBQXJVXOMKX-UHFFFAOYSA-N
BMGC_DG09887,BMG_DG148950,C1CN2CCC1[C@H](C2)NC(=O)C3=CC4=C(S3)C(=CC=C4)Cl,C1CN2C[C@@H](C1CC2)NC(=O)c3sc4c(c3)cccc4Cl,"InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1",SSRDSYXGYPJKRR-ZDUSSCGKSA-N
BMGC_DG09888,BMG_DG148954,,s1c2c(c(-c3nc4n(C(C)C)cnc4c(NCCc5ccc(O)cc5)n3)c1)cccc2,,BGFHMYJZJZLMHW-UHFFFAOYSA-N
BMGC_DG09889,BMG_DG148955,CC(C)(CO)C1=CC2=CC(=C(C=C2N1C[C@H](CO)O)F)NC(=O)C3(CC3)C4=CC5=C(C=C4)OC(O5)(F)F,C(Nc1cc2c(cc1F)n(c(c2)C(CO)(C)C)C[C@H](CO)O)(=O)C3(CC3)c4cc5c(cc4)OC(O5)(F)F,"InChI=1S/C26H27F3N2O6/c1-24(2,13-33)22-8-14-7-18(17(27)10-19(14)31(22)11-16(34)12-32)30-23(35)25(5-6-25)15-3-4-20-21(9-15)37-26(28,29)36-20/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35)/t16-/m1/s1",MJUVRTYWUMPBTR-MRXNPFEDSA-N
BMGC_DG09890,BMG_DG148956,CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C,,"InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/p+1",XOMRRQXKHMYMOC-UHFFFAOYSA-O
BMGC_DG09891,BMG_DG148958,C1=CC(=CC(=C1)OC(F)(F)F)C2=C(C(=C(C(=C2F)F)NC(=O)C3=C(SC=C3)C(=O)O)F)F,c1(c(ccs1)C(Nc2c(c(c(c(c2F)F)-c3cc(ccc3)OC(F)(F)F)F)F)=O)C(=O)O,"InChI=1S/C19H8F7NO4S/c20-11-10(7-2-1-3-8(6-7)31-19(24,25)26)12(21)14(23)15(13(11)22)27-17(28)9-4-5-32-16(9)18(29)30/h1-6H,(H,27,28)(H,29,30)",VNDUHYWEWRRBFJ-UHFFFAOYSA-N
BMGC_DG09892,BMG_DG148959,CN1CC2=C(C=CC(=C2)Cl)N3C(=NN=C3C4CCC(CC4)OC5=CC=CC=N5)C1,n-12c(CN(Cc3c1ccc(c3)Cl)C)nnc2[C@H]4CC[C@@H](CC4)Oc5ccccn5,"InChI=1S/C22H24ClN5O/c1-27-13-16-12-17(23)7-10-19(16)28-20(14-27)25-26-22(28)15-5-8-18(9-6-15)29-21-4-2-3-11-24-21/h2-4,7,10-12,15,18H,5-6,8-9,13-14H2,1H3",GMPZPHGHNDMRKL-UHFFFAOYSA-N;GMPZPHGHNDMRKL-RZDIXWSQSA-N
BMGC_DG09893,BMG_DG148960,,CC(c1onc(-c2c3N(S(c4ccc(OC(F)(F)F)cc4)(=O)=O)Cc5ccc(C(F)(F)F)nc5Nc3ccc2)n1)(O)C,,WQQNCCUPGPFWOI-UHFFFAOYSA-N
BMGC_DG09894,BMG_DG148963,C1=CC(=CC(=C1)[C@@]2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC(=NC=C4)C(F)F)C5=CN=CN=C5,[C@]1(N=C(c2c(cccc12)F)N)(c3cc(ccc3)-c4cncnc4)c5cc(ncc5)C(F)F,"InChI=1S/C24H16F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22H,(H2,28,32)/t24-/m0/s1",MRXBCEQZNKUUIP-DEOSSOPVSA-N
BMGC_DG09895,BMG_DG148967,CC1=NC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC=C2N4CCNCC4,c1(nc2c(n1S(=O)(=O)c3ccccc3)cccc2N4CCNCC4)C,"InChI=1S/C18H20N4O2S/c1-14-20-18-16(21-12-10-19-11-13-21)8-5-9-17(18)22(14)25(23,24)15-6-3-2-4-7-15/h2-9,19H,10-13H2,1H3",MAYQIFVKVAUMPD-UHFFFAOYSA-N
BMGC_DG09896,BMG_DG148969,C1=CC(=CC(=C1)[C@@]2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC=NC=C4)C5=CN=CN=C5,,"InChI=1S/C23H16FN5/c24-20-6-2-5-19-21(20)22(25)29-23(19,17-7-9-26-10-8-17)18-4-1-3-15(11-18)16-12-27-14-28-13-16/h1-14H,(H2,25,29)/t23-/m1/s1",JTYGZAPMRYLRCN-HSZRJFAPSA-N
BMGC_DG09897,BMG_DG148975,C1=CC(=CC(=C1)F)NC(=O)NC2=CC=C(C=C2)C3=CSC4=C3C(=NC=C4C5=CN(N=C5)CCO)N,n1c(c2c(c(c1)-c3cn(nc3)CCO)scc2-c4ccc(cc4)NC(Nc5cc(ccc5)F)=O)N,"InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)",WPHKIQPVPYJNAX-UHFFFAOYSA-N
BMGC_DG09898,BMG_DG148979,CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2F)NC3=NC=C(C(=N3)OC4=CC=CC5=C4C(=O)N(C5)C)C(F)(F)F)OC,C1CC(CCN1C)NC(c2c(cc(c(c2)OC)Nc3ncc(C(F)(F)F)c(n3)Oc4c5C(N(C)Cc5ccc4)=O)F)=O,"InChI=1S/C28H28F4N6O4/c1-37-9-7-16(8-10-37)34-24(39)17-11-22(41-3)20(12-19(17)29)35-27-33-13-18(28(30,31)32)25(36-27)42-21-6-4-5-15-14-38(2)26(40)23(15)21/h4-6,11-13,16H,7-10,14H2,1-3H3,(H,34,39)(H,33,35,36)",ULMMVBPTWVRPSI-UHFFFAOYSA-N
BMGC_DG09899,BMG_DG148980,,s1c(nc2c1cc(cc2)F)-c3ccc(cc3)NC,,QLWFXLJVGCECSV-UHFFFAOYSA-N
BMGC_DG09900,BMG_DG148985,C1CC(CCC1N2CC(C2)NC(=O)CNC(=O)C3=CC(=CC=C3)C(F)(F)F)(C4=CN=CS4)O,C(c1cc(ccc1)C(F)(F)F)(=O)NCC(=O)NC2CN(C2)[C@H]3CC[C@](CC3)(c4cncs4)O,"InChI=1S/C22H25F3N4O3S/c23-22(24,25)15-3-1-2-14(8-15)20(31)27-10-19(30)28-16-11-29(12-16)17-4-6-21(32,7-5-17)18-9-26-13-33-18/h1-3,8-9,13,16-17,32H,4-7,10-12H2,(H,27,31)(H,28,30)",CFKBNYUHQSQBSX-UHFFFAOYSA-N;CFKBNYUHQSQBSX-CYWCHRQTSA-N
BMGC_DG09901,BMG_DG148988,CS(=O)(=O)N1C=C2CN(CC2=N1)[C@@H]3C[C@@H]([C@H](OC3)C4=C(C=CC(=C4)F)F)N,[C@@H]1(OC[C@@H](C[C@@H]1N)N2Cc3c(C2)nn(c3)S(=O)(=O)C)c4cc(ccc4F)F,"InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1",MKMPWKUAHLTIBJ-ISTRZQFTSA-N
BMGC_DG09902,BMG_DG148996,CC(C)(CC1=CC=CC=C1)N(C)C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC2=CC=CC=C2,C(N(C(Cc1ccccc1)(C)C)C)(CN(CC(N(C(Cc2ccccc2)(C)C)C)=O)CCO)=O,"InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3",FTLDJPRFCGDUFH-UHFFFAOYSA-N
BMGC_DG09903,BMG_DG148997,C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=C4C=CC(=CC4=C3N=O)S(=O)(=O)N5C[C@@H](C[C@@H](C5)C)C)NO)C,N(O)=C1c2c(C(c3c1cc(cc3)S(=O)(=O)N4C[C@@H](C)C[C@H](C4)C)=NO)ccc(c2)S(=O)(=O)N5C[C@@H](C)C[C@H](C5)C,"InChI=1S/C28H36N4O6S2/c1-17-9-18(2)14-31(13-17)39(35,36)21-5-7-23-25(11-21)28(30-34)26-12-22(6-8-24(26)27(23)29-33)40(37,38)32-15-19(3)10-20(4)16-32/h5-8,11-12,17-20,29,33H,9-10,13-16H2,1-4H3/t17-,18+,19-,20+",OMWCXCBGEFHCTN-FGYAAKKASA-N;GAPRVZKWPDRAJA-QOPKLXIQSA-N
BMGC_DG09904,BMG_DG148999,CN(C)C/C=C/C(=O)NC1=CC=CC(=C1)C2=C(OC3=NC=NC(=C23)N[C@H](CO)C4=CC=CC=C4)C5=CC=CC=C5,,"InChI=1S/C32H31N5O3/c1-37(2)18-10-17-27(39)35-25-16-9-15-24(19-25)28-29-31(36-26(20-38)22-11-5-3-6-12-22)33-21-34-32(29)40-30(28)23-13-7-4-8-14-23/h3-17,19,21,26,38H,18,20H2,1-2H3,(H,35,39)(H,33,34,36)/b17-10+/t26-/m1/s1",NQAMTZUVRFRJCZ-VMMYIZNOSA-N
BMGC_DG09905,BMG_DG149004,CC1=CC(=NN1)NC2=NN3C(=C(N=C3C(=C2)CN4CCOCC4)C)CC5=C(C=C(C=C5)Cl)F,C(c1c2n(c(c(n2)C)Cc3c(F)cc(cc3)Cl)nc(c1)Nc4cc([nH]n4)C)N5CCOCC5,"InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)",SQSZANZGUXWJEA-UHFFFAOYSA-N
BMGC_DG09906,BMG_DG149007,CC1=NN(C(=C1)NC2=NC=C(C(=C2)NC3=CC=CC=C3C(=O)NOC)Cl)C(C)C,C(c1c(cccc1)Nc2cc(ncc2Cl)Nc3cc(nn3C(C)C)C)(=O)NOC,"InChI=1S/C20H23ClN6O2/c1-12(2)27-19(9-13(3)25-27)24-18-10-17(15(21)11-22-18)23-16-8-6-5-7-14(16)20(28)26-29-4/h5-12H,1-4H3,(H,26,28)(H2,22,23,24)",BVAHPPKGOOJSPU-UHFFFAOYSA-N
BMGC_DG09907,BMG_DG149008,C1CCN(C1)[C@H]2CCC3=C(CC2)C=C(C=C3)NC4=NN(C(=N4)N)C5=NN=C6C(=C5)CCCC7=CC=CC=C76,c12ccc(cc1CC[C@H](CC2)N3CCCC3)Nc4nc(n(n4)-c5cc6c(nn5)-c7c(CCC6)cccc7)N,"InChI=1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36)/t25-/m0/s1",KXMZDGSRSGHMMK-VWLOTQADSA-N
BMGC_DG09908,BMG_DG149012,,N1(C[C@H](CC[C@H]1C)C(=O)NC2CCCCC2)c3nc(nc(c3)-c4ccc5c(n[nH]c5c4)N)NC,,QLPHOXTXAKOFMU-WBVHZDCISA-N
BMGC_DG09909,BMG_DG149013,C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-].[Na+],[Na+].c1(ccc(c(c1)F)CNC(c2c(=O)c(c3n(c2)C[C@]4(N(C3=O)[C@@H](CCO4)C)[H])[O-])=O)F,"InChI=1S/C20H19F2N3O5.Na/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22;/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28);/q;+1/p-1/t10-,15+;/m1./s1",UGWJRRXTMKRYNK-VSLILLSYSA-M
BMGC_DG09910,BMG_DG149014,CC1=C2C(=NC(=N1)N)C[C@@H](NC2=O)C3=C(C=C(C=C3)F)C4=NC(=CC=C4)OC,c1(nc2c(c(n1)C)C(N[C@H](C2)c3c(cc(cc3)F)-c4cccc(n4)OC)=O)N,"InChI=1S/C20H18FN5O2/c1-10-18-16(26-20(22)23-10)9-15(25-19(18)27)12-7-6-11(21)8-13(12)14-4-3-5-17(24-14)28-2/h3-8,15H,9H2,1-2H3,(H,25,27)(H2,22,23,26)/t15-/m1/s1",WSMQUUGTQYPVPD-OAHLLOKOSA-N
BMGC_DG09911,BMG_DG149017,C1CCN(C1)CCOC2=C3COC/C=C/COCC4=CC(=CC=C4)C5=NC(=NC=C5)NC(=C3)C=C2,O(CCN1CCCC1)c2c3cc(cc2)/N=C/4\NC(c5cc(COC/C=C/COC3)ccc5)=CC=N4,"InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+",HWXVIOGONBBTBY-ONEGZZNKSA-N
BMGC_DG09912,BMG_DG149027,CCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)OC,c12c(nc([nH]1)NC(OC)=O)cc(OCCC)cc2,"InChI=1S/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)",RAOCRURYZCVHMG-UHFFFAOYSA-N
BMGC_DG09913,BMG_DG149030,CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F,c1(nc(c(cn1)F)-c2cc(c3nc(n(c3c2)C(C)C)C)F)Nc4ccc(cn4)CN5CCN(CC5)CC,"InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)",UZWDCWONPYILKI-UHFFFAOYSA-N
BMGC_DG09914,BMG_DG149031,C1C[C@H](C2=C(C1)C=C(C=C2)S(=O)(=O)C3=CC=CC(=C3)F)CNC(=O)N,C(NC(N)=O)[C@H]1c2c(cc(cc2)S(=O)(=O)c3cc(F)ccc3)CCC1,"InChI=1S/C18H19FN2O3S/c19-14-5-2-6-15(10-14)25(23,24)16-7-8-17-12(9-16)3-1-4-13(17)11-21-18(20)22/h2,5-10,13H,1,3-4,11H2,(H3,20,21,22)/t13-/m0/s1",MTTHRRVVGMPYQG-ZDUSSCGKSA-N
BMGC_DG09915,BMG_DG149035,,Cc1ccc(NCCc2c[nH]cn2)cc1,,OOTAMYWJHGNDAH-UHFFFAOYSA-N
BMGC_DG09916,BMG_DG149044,CCC[C@@H](C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C)N[C@H]2CCC3=C(C2)C(=CC(=C3)F)F,c1c(cc2c(c1F)C[C@H](CC2)N[C@H](C(Nc3cn(cn3)C(CNCC(C)(C)C)(C)C)=O)CCC)F,"InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1",VFCRKLWBYMDAED-REWPJTCUSA-N
BMGC_DG09917,BMG_DG149045,,c12c(nc(nc1cc(c(c2)OC)OCCCN3CCCC3)C4CCCCC4)NC5CCN(CC5)C(C)C,,QOECJCJVIMVJGX-UHFFFAOYSA-N
BMGC_DG09918,BMG_DG149069,,C(CC1=C(/C(/c2ccc(cc12)F)=C/c3ccc(cc3)C(C)C)C)(=O)O,,QCXBVGNDRYQVJO-GRSHGNNSSA-N
BMGC_DG09919,BMG_DG149076,,C(C(O)=O)[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O[C@H](CCCCCCCCC(C)C)CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1,,DDULCZLFAKVKJB-JIXKVBNCSA-N
BMGC_DG09920,BMG_DG149077,,c1cc2c(nc1N3CCNCC3)CCCC2,,OHJFBSROVXQKFQ-UHFFFAOYSA-N
BMGC_DG09921,BMG_DG149081,,c1ccc(cc1)Oc2cccc(c2)CN3CCN(CC3)C(=O)Oc4ccc(cc4)[N+](=O)[O-],,QNYRAEKLMNDRFY-UHFFFAOYSA-N
BMGC_DG09922,BMG_DG149082,,[C@H](CNC(Cc1ccc(OC)cc1)(C)C)(O)c2c3c(cc(O)c2)NC(=O)CO3,,COUYJEVMBVSIHV-GOSISDBHSA-N
BMGC_DG09923,BMG_DG149083,,COC(=O)c1c(ccs1)S(=O)(=O)Nc2ccc(Nc3ccccc3)cc2OC,,NDFKBGWLUHKMFY-UHFFFAOYSA-N
BMGC_DG09924,BMG_DG149085,CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)C3=NN(C4=C3C=CC=C4O)C,,"InChI=1S/C18H24N4O2/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)16-14-7-4-8-15(23)17(14)22(2)20-16/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24)/t12-,13-/m0/s1",AJEBHUMZPBDLQF-STQMWFEESA-N
BMGC_DG09925,BMG_DG149088,,n1(c(c(c2cc(ccc12)OCc3ccc(cn3)C)SC(C)(C)C)CC(C(=O)O)(C)C)Cc4ccc(cc4)-c5ncc(cn5)OC,,XIPYFDKZPWWWGS-UHFFFAOYSA-N
BMGC_DG09926,BMG_DG149092,,c1(-c2c(O)c3cc(O)c(c(C(=O)NC[C@@H](c4ccccc4)C)c3cc2C)O)c(C)cc5c(cc(c(O)c5C(NC[C@@H](c6ccccc6)C)=O)O)c1O,,RAYNZUHYMMLQQA-ZEQRLZLVSA-N
BMGC_DG09927,BMG_DG149096,CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1,C(c1ccccc1)OC(=O)N[C@H](C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C=O)=O)=O)CC(C)C,"InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1",TZYWCYJVHRLUCT-VABKMULXSA-N
BMGC_DG09928,BMG_DG149102,CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4,c1(c(nc2n(c1N)ncc2-c3cnn(c3)C)[C@@H]4CCCNC4)Br,"InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3/t9-/m1/s1",GMIZZEXBPRLVIV-SECBINFHSA-N
BMGC_DG09929,BMG_DG149103,C1=C(C(=CC(=C1O)O)O)CCN,c1c(c(cc(c1O)CCN)O)O,"InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2",DIVDFFZHCJEHGG-UHFFFAOYSA-N
BMGC_DG09930,BMG_DG149108,CCCCOC1=NC(=C2C(=N1)N(CC(=O)N2)CC3=CC=CC(=C3)CN4CCCC4)N,n1c(nc2c(c1N)NC(CN2Cc3cc(ccc3)CN4CCCC4)=O)OCCCC,"InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)",VFOKSTCIRGDTBR-UHFFFAOYSA-N
BMGC_DG09931,BMG_DG149112,C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4,,"InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1",SCGCBAAYLFTIJU-CQSZACIVSA-N
BMGC_DG09932,BMG_DG149118,C1C(CN(C1=O)CC(=O)N)O,N1(C(CC(C1)O)=O)CC(=O)N,"InChI=1S/C6H10N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h4,9H,1-3H2,(H2,7,10)",IHLAQQPQKRMGSS-UHFFFAOYSA-N
BMGC_DG09933,BMG_DG149124,,,,
BMGC_DG09934,BMG_DG149125,CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O,c1(c(c2cc3OCOc3cc2n(c1)CC)=O)C(=O)O,"InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)",KYGZCKSPAKDVKC-UHFFFAOYSA-N
BMGC_DG09935,BMG_DG149129,C[N+](C)(C)CC#CCN1CCCC1=O,C1CN(CC#CC[N+](C)(C)C)C(C1)=O,"InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1",CANZROMYQDHYHR-UHFFFAOYSA-N
BMGC_DG09936,BMG_DG149131,,,,
BMGC_DG09937,BMG_DG149135,C1CCN(C1)CC#CCN2CCCC2=O,N1(C(=O)CCC1)CC#CCN2CCCC2,"InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2",RSDOPYMFZBJHRL-UHFFFAOYSA-N
BMGC_DG09938,BMG_DG149138,,,,
BMGC_DG09939,BMG_DG149140,CC(C)NCC(COC1=CC=CC=C1OCC=C)O,O(c1c(OCC=C)cccc1)CC(CNC(C)C)O,"InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3",CEMAWMOMDPGJMB-UHFFFAOYSA-N
BMGC_DG09940,BMG_DG149141,COC1=CC=C(C=C1)C(=NC2=NC(=CC3=CC=CC=C32)C4=CC=CC=N4)N,,"InChI=1S/C22H18N4O/c1-27-17-11-9-15(10-12-17)21(23)26-22-18-7-3-2-6-16(18)14-20(25-22)19-8-4-5-13-24-19/h2-14H,1H3,(H2,23,25,26)",NQRACHHGCZAJSD-UHFFFAOYSA-N
BMGC_DG09941,BMG_DG149147,COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O,c1(C(=O)c2ccccc2)c(cc(cc1)OC)O,"InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3",DXGLGDHPHMLXJC-UHFFFAOYSA-N
BMGC_DG09942,BMG_DG149152,CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N,C(c1cc(OCCCC)c(cc1)N)(=O)OCCN(CC)CC,"InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3",CMHHMUWAYWTMGS-UHFFFAOYSA-N
BMGC_DG09943,BMG_DG149156,CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O,c1ccc(C(C(=O)OCC#CCN(CC)CC)(C2CCCCC2)O)cc1,"InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3",XIQVNETUBQGFHX-UHFFFAOYSA-N
BMGC_DG09944,BMG_DG149157,,,,
BMGC_DG09945,BMG_DG149158,,,,
BMGC_DG09946,BMG_DG149160,,,,
BMGC_DG09947,BMG_DG149163,,,,
BMGC_DG09948,BMG_DG149165,CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C,c1(c(c(C)c(c(c1)C)CC2=NCCN2)O)C(C)(C)C,"InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)",WYWIFABBXFUGLM-UHFFFAOYSA-N
BMGC_DG09949,BMG_DG149167,,,,
BMGC_DG09950,BMG_DG149177,,c1(-c2ccc3C[C@H](NS(=O)(C(C)C)=O)Cc3c2)ccc(nc1)F,,QXQSUBKWSHMXDP-INIZCTEOSA-N
BMGC_DG09951,BMG_DG149178,C1=CC=C(C=C1)C(=O)NCC(=O)O,C(=O)(NCC(O)=O)c1ccccc1,"InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)",QIAFMBKCNZACKA-UHFFFAOYSA-N
BMGC_DG09952,BMG_DG149179,CC1=C(C2=CC(=C(C=C2N1)OC)OC)CCN3CCN(CC3)C4=CC=CC=C4,c1(c2c(cc(c(c2)OC)OC)[nH]c1C)CCN3CCN(CC3)c4ccccc4,"InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3",XCWPUUGSGHNIDZ-UHFFFAOYSA-N
BMGC_DG09953,BMG_DG149184,CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3,N1(N(C(=O)C(C1=O)CCCC)c2ccccc2)c3ccc(cc3)O,"InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3",HFHZKZSRXITVMK-UHFFFAOYSA-N
BMGC_DG09954,BMG_DG149189,CN1CCCN=C1COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O,C=1(N(CCCN1)C)COC(C(c2ccccc2)(C3CCCCC3)O)=O,"InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3",DUDKAZCAISNGQN-UHFFFAOYSA-N
BMGC_DG09955,BMG_DG149190,C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O,n1(c2c(c(N)ncn2)nc1)C[C@H](OCP(O)(O)=O)C,"InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1",SGOIRFVFHAKUTI-ZCFIWIBFSA-N
BMGC_DG09956,BMG_DG149196,,,,
BMGC_DG09957,BMG_DG149201,C1=CC(=C(C=C1N)O)C(=O)O,c1cc(c(cc1N)O)C(=O)O,"InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)",WUBBRNOQWQTFEX-UHFFFAOYSA-N
BMGC_DG09958,BMG_DG149205,C1=CC(=O)C=CC1=O,C1(C=CC(=O)C=C1)=O,InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H,AZQWKYJCGOJGHM-UHFFFAOYSA-N
BMGC_DG09959,BMG_DG149210,C1=CC(=CC=C1CC(C(=O)O)N)Cl,C(C(Cc1ccc(cc1)Cl)N)(=O)O,"InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)",NIGWMJHCCYYCSF-UHFFFAOYSA-N
BMGC_DG09960,BMG_DG149214,,c1(F)ccc(cc1)CCN,,CKLFJWXRWIQYOC-UHFFFAOYSA-N
BMGC_DG09961,BMG_DG149215,,O=Cc1c(OCC(=O)O)cccc1,,ANWMNLAAFDCKMT-UHFFFAOYSA-N
BMGC_DG09962,BMG_DG149228,C1CN=C(N1)NC2=C(C=C(C=C2Cl)I)Cl,c1(NC2=NCCN2)c(cc(cc1Cl)I)Cl,"InChI=1S/C9H8Cl2IN3/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2H2,(H2,13,14,15)",HSRPTPAPMBHRRJ-UHFFFAOYSA-N
BMGC_DG09963,BMG_DG149231,,,,
BMGC_DG09964,BMG_DG149233,,c1(ccc(cc1)CCN)OC,,LTPVSOCPYWDIFU-UHFFFAOYSA-N
BMGC_DG09965,BMG_DG149243,CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-],c1([N+]([O-])=O)c(c(O)cc(c1)C(c2ccc(cc2)C)=O)O,"InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3",MIQPIUSUKVNLNT-UHFFFAOYSA-N
BMGC_DG09966,BMG_DG149251,CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3)C(=O)NO)C,S(N1[C@@H](C(=O)NO)C(C)(C)SCC1)(c2ccc(Oc3ccncc3)cc2)(=O)=O,"InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1",YKPYIPVDTNNYCN-INIZCTEOSA-N
BMGC_DG09967,BMG_DG149252,,c1(cc(=O)c2ccc(cc2o1)OC)-c3ccccc3,,QKNDCRMJDZLFEG-UHFFFAOYSA-N
BMGC_DG09968,BMG_DG149255,,COc1ccc(-c2cc(=O)c3cc(I)ccc3o2)cc1,,BYDBCAPACOXVEH-UHFFFAOYSA-N
BMGC_DG09969,BMG_DG149261,,c12c(NC(C1=O)=O)ccc(c2)[N+]([O-])=O,,UNMYHYODJHKLOC-UHFFFAOYSA-N
BMGC_DG09970,BMG_DG149268,COC1=C(C(=CC=C1)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N,c1ccc(c(c1OC)-c2[nH]nc(c2)Nc3cnc(cn3)C#N)OCCCN,"InChI=1S/C18H19N7O2/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25)",DOTGPNHGTYJDEP-UHFFFAOYSA-N
BMGC_DG09971,BMG_DG149269,C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=NC)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](CC5=CC=C(C=C5)O)NC(=O)C)O)O,[C@]1(C(N[C@H](C(N[C@H](C(N[C@H](C(NNC(N[C@H](C(N[C@H](C(N[C@H](C(N)=O)Cc2c[nH]c3c2cccc3)=O)CCCNC(NC)=N)=O)CC(C)C)=O)=O)Cc4ccccc4)=O)[C@H](O)C)=O)CC(N)=O)=O)(C[C@H](CN1C([C@H](NC(C)=O)Cc5ccc(cc5)O)=O)O)[H],"InChI=1S/C58H80N16O14/c1-30(2)22-42(51(82)66-40(16-11-21-63-57(61)62-5)50(81)67-41(49(60)80)25-35-28-64-39-15-10-9-14-38(35)39)70-58(88)73-72-53(84)43(23-33-12-7-6-8-13-33)69-55(86)48(31(3)75)71-52(83)44(27-47(59)79)68-54(85)46-26-37(78)29-74(46)56(87)45(65-32(4)76)24-34-17-19-36(77)20-18-34/h6-10,12-15,17-20,28,30-31,37,40-46,48,64,75,77-78H,11,16,21-27,29H2,1-5H3,(H2,59,79)(H2,60,80)(H,65,76)(H,66,82)(H,67,81)(H,68,85)(H,69,86)(H,71,83)(H,72,84)(H3,61,62,63)(H2,70,73,88)/t31-,37-,40+,41+,42+,43+,44+,45-,46+,48+/m1/s1",MWXWMWSUUYXMRA-GRKBUMBKSA-N
BMGC_DG09972,BMG_DG149273,COC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)NS(=O)(=O)O)C3=CSC(=N3)C4=CC=CS4,C(N[C@H](C(N[C@@H](Cc1ccc(cc1)NS(=O)(=O)O)c2nc(sc2)-c3cccs3)=O)Cc4ccccc4)(=O)OC,"InChI=1S/C26H26N4O6S3/c1-36-26(32)29-21(15-17-6-3-2-4-7-17)24(31)27-20(22-16-38-25(28-22)23-8-5-13-37-23)14-18-9-11-19(12-10-18)30-39(33,34)35/h2-13,16,20-21,30H,14-15H2,1H3,(H,27,31)(H,29,32)(H,33,34,35)/t20-,21-/m0/s1",KWJDHELCGJFUHW-SFTDATJTSA-N
BMGC_DG09973,BMG_DG149284,,NS(=O)(=O)c1cnccc1Oc2ccc(F)cc2,,AJOXYVWAKWQVRZ-UHFFFAOYSA-N
BMGC_DG09974,BMG_DG149285,,N#CCSc1ccncc1S(N)(=O)=O,,JOIYJNZMYUXKRS-UHFFFAOYSA-N
BMGC_DG09975,BMG_DG149287,,CNNc1ccncc1S(N)(=O)=O,,CKTSHDQZQGLANI-UHFFFAOYSA-N
BMGC_DG09976,BMG_DG149290,CC(CCCC(C)(C)O)C1CCC\2C1(CCC/C2=C\C=C/3\CC(CCC3=C)O)C,,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-",JWUBBDSIWDLEOM-DWKIUPLPSA-N
BMGC_DG09977,BMG_DG149294,,,,
BMGC_DG09978,BMG_DG149298,CCCCCCCCCCCCCCCC(=O)NCCO,C(CCCCCCCCCCCCC)CC(NCCO)=O,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)",HXYVTAGFYLMHSO-UHFFFAOYSA-N
BMGC_DG09979,BMG_DG149301,COC1=CC(=CC(=C1O)O)C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C=C4)O)O)O)O,,"InChI=1S/C23H20O10/c1-31-19-6-11(5-17(28)21(19)29)23(30)33-20-9-13-15(26)7-12(24)8-18(13)32-22(20)10-2-3-14(25)16(27)4-10/h2-8,20,22,24-29H,9H2,1H3/t20-,22-/m1/s1",XGTBMCGGGJLOPS-IFMALSPDSA-N
BMGC_DG09980,BMG_DG149302,COC1=C(C=C(C=C1O)C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C=C4)O)O)O)O)O,,"InChI=1S/C23H20O10/c1-31-22-17(28)5-11(6-18(22)29)23(30)33-20-9-13-15(26)7-12(24)8-19(13)32-21(20)10-2-3-14(25)16(27)4-10/h2-8,20-21,24-29H,9H2,1H3/t20-,21-/m1/s1",BXDRTHBTGNNTEW-NHCUHLMSSA-N
BMGC_DG09981,BMG_DG149303,C1[C@H]([C@H](OC2=C1C(=CC(=C2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O,,"InChI=1S/C29H22O15/c30-13-7-21-14(22(8-13)43-28(40)11-3-17(33)25(38)18(34)4-11)9-23(27(42-21)10-1-15(31)24(37)16(32)2-10)44-29(41)12-5-19(35)26(39)20(36)6-12/h1-8,23,27,30-39H,9H2/t23-,27-/m1/s1",RKUDRJTZBDEGNP-YIXXDRMTSA-N
BMGC_DG09982,BMG_DG149304,,C(O)(P(O)([O-])=O)(P(O)([O-])=O)CCN.[Na+].[Na+],,CEYUIFJWVHOCPP-UHFFFAOYSA-L
BMGC_DG09983,BMG_DG149329,C(CN)C(O)(P(=O)(O)O)P(=O)(O)O,C(P(O)(O)=O)(P(O)(O)=O)(CCN)O,"InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)",WRUUGTRCQOWXEG-UHFFFAOYSA-N
BMGC_DG09984,BMG_DG149340,CCC(C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CN(C4=CC=CC=C43)OC)CCCCCC(=O)CC,,"InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30-/m0/s1",JWOGUUIOCYMBPV-LQJYRIKDSA-N
BMGC_DG09985,BMG_DG149397,COC1=C(C=C(C=C1)OC[C@@H]2CNCC[C@H]2C3=CC=C(C=C3)F)O,c1(cc(OC[C@H]2[C@H](c3ccc(cc3)F)CCNC2)ccc1OC)O,"InChI=1S/C19H22FNO3/c1-23-19-7-6-16(10-18(19)22)24-12-14-11-21-9-8-17(14)13-2-4-15(20)5-3-13/h2-7,10,14,17,21-22H,8-9,11-12H2,1H3/t14-,17-/m0/s1",HEJVUVGUVCOISV-YOEHRIQHSA-N
BMGC_DG09986,BMG_DG149417,C(C1[C@H]([C@@H](C([C@H](O1)OCC2[C@H]([C@@H](C(C(O2)O)O)O)O)O)O)O)O,,"InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3?,4?,5-,6-,7+,8+,9?,10?,11?,12+/m1/s1",DLRVVLDZNNYCBX-KHDAGABXSA-N
BMGC_DG09987,BMG_DG149430,C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O,[C@@]([C@H](c1nc(-c2ccc(C#N)cc2)cs1)C)(c3c(cc(cc3)F)F)(Cn4ncnc4)O,"InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-7-6-17(23)8-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1",OPAHEYNNJWPQPX-RCDICMHDSA-N
BMGC_DG09988,BMG_DG149474,,Cn1ccc2c3c(N)nc(N)nc3ccc12,,WSISEVQVCUARDZ-UHFFFAOYSA-N
BMGC_DG09989,BMG_DG149475,COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC,c1(nc2ccc(cc2[nH]1)OC(F)F)[S+](Cc3c(c(OC)ccn3)OC)[O-],"InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)",IQPSEEYGBUAQFF-UHFFFAOYSA-N
BMGC_DG09990,BMG_DG149480,COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC,c12c(nccc1cc(c(c2)OC)OC)Cc3cc(OC)c(cc3)OC,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",XQYZDYMELSJDRZ-UHFFFAOYSA-N
BMGC_DG09991,BMG_DG149494,,Nc1ccc(-c2ccoc2)cc1NC(=O)c3ccccc3,,MHJRDSWPLXKJLI-UHFFFAOYSA-N
BMGC_DG09992,BMG_DG149500,CC1=C(C=CC=C1F)CCCCOC2=CC=C(C=C2)C#CC3=C4C(=C(C=C3)F)C(=C(N4CCCC(=O)O)C)CCCC(=O)O,c1c(c(c(cc1)CCCCOc2ccc(cc2)C#Cc3ccc(c4c3n(c(c4CCCC(=O)O)C)CCCC(=O)O)F)C)F,"InChI=1S/C36H37F2NO5/c1-24-27(9-5-11-31(24)37)8-3-4-23-44-29-19-15-26(16-20-29)14-17-28-18-21-32(38)35-30(10-6-12-33(40)41)25(2)39(36(28)35)22-7-13-34(42)43/h5,9,11,15-16,18-21H,3-4,6-8,10,12-13,22-23H2,1-2H3,(H,40,41)(H,42,43)",SILHYVDKGHXGBL-UHFFFAOYSA-N
BMGC_DG09993,BMG_DG149503,,c1c(ccc[n+]1[O-])-c2ncn(c2)C(N(C)C3CCCCC3)=O,,DOWVMJFBDGWVML-UHFFFAOYSA-N
BMGC_DG09994,BMG_DG149507,,c1c(cc(c(c1)O)CO)[C@H](CNCCCCCCOCCO)O,,BOBWIDWDXFEGNK-KRWDZBQOSA-N
BMGC_DG09995,BMG_DG149508,C1CCC(CC1)[C@@H]2C[C@@]2(C3=CC=C(C=C3)S(=O)(=O)C4CC4)C(=O)NC5=NC=C(S5)SCCN6CCCC6,[C@]1([C@@H](C1)C2CCCCC2)(C(=O)Nc3sc(cn3)SCCN4CCCC4)c5ccc(cc5)S(=O)(=O)C6CC6,"InChI=1S/C28H37N3O3S3/c32-26(30-27-29-19-25(36-27)35-17-16-31-14-4-5-15-31)28(18-24(28)20-6-2-1-3-7-20)21-8-10-22(11-9-21)37(33,34)23-12-13-23/h8-11,19-20,23-24H,1-7,12-18H2,(H,29,30,32)/t24-,28-/m0/s1",QIIVJLHCZUTGSD-CUBQBAPOSA-N
BMGC_DG09996,BMG_DG149510,CC1=NC2=C(C(=N1)N3CCN(CC3)C)N=C(N2C4CCOCC4)C5=CC=CC=C5Cl,n1c(n(c2nc(nc(c12)N3CCN(CC3)C)C)C4CCOCC4)-c5c(cccc5)Cl,"InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3",UCMNDPDJRSEZPL-UHFFFAOYSA-N
BMGC_DG09997,BMG_DG149511,COCCNCCC1=CC(=CC=C1)NC2=NC=C3C[C@H](C4=CC=CC=C4C3=N2)C5=CC=CC=C5F,n1c(ncc2C[C@H](c3c(-c12)cccc3)c4c(cccc4)F)Nc5cc(ccc5)CCNCCOC,"InChI=1S/C29H29FN4O/c1-35-16-15-31-14-13-20-7-6-8-22(17-20)33-29-32-19-21-18-26(24-10-4-5-12-27(24)30)23-9-2-3-11-25(23)28(21)34-29/h2-12,17,19,26,31H,13-16,18H2,1H3,(H,32,33,34)/t26-/m1/s1",KPJDVVCDVBFRMU-AREMUKBSSA-N
BMGC_DG09998,BMG_DG149513,,COc1ccc2c(c1)c(c(cn2)C#N)CCN3CCC(NCc4cc5SCOc5cn4)CC3,,NKXJSCXEAVZSMF-UHFFFAOYSA-N
BMGC_DG09999,BMG_DG149518,,O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1,,RRPYZEWVBYBTJC-UHFFFAOYSA-N
BMGC_DG10000,BMG_DG149520,CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCCCCC(=O)NO,c1cc2c(cc1N(CCCl)CCCl)nc(n2C)CCCCCCC(NO)=O,"InChI=1S/C19H28Cl2N4O2/c1-24-17-9-8-15(25(12-10-20)13-11-21)14-16(17)22-18(24)6-4-2-3-5-7-19(26)23-27/h8-9,14,27H,2-7,10-13H2,1H3,(H,23,26)",GISXTRIGVCKQBX-UHFFFAOYSA-N
BMGC_DG10001,BMG_DG149525,B1(C2=C(C=CC=C2OCCCO)[C@H](O1)CN)O,c1c(c2c(cc1)[C@H](OB2O)CN)OCCCO,"InChI=1S/C11H16BNO4/c13-7-10-8-3-1-4-9(16-6-2-5-14)11(8)12(15)17-10/h1,3-4,10,14-15H,2,5-7,13H2/t10-/m1/s1",FXQIIDINBDJDKL-SNVBAGLBSA-N
BMGC_DG10002,BMG_DG149536,C1=CC(=CC=C1O)Cl,c1cc(ccc1Cl)O,"InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H",WXNZTHHGJRFXKQ-UHFFFAOYSA-N
BMGC_DG10003,BMG_DG149539,C1=CC(=C(C=C1Cl)C2=C(NN=C2)N)OC3=CC(=C(C=C3Cl)S(=O)(=O)NC4=CSC=N4)F,c1(Cl)cc(-c2cn[nH]c2N)c(Oc3c(Cl)cc(S(=O)(=O)Nc4cscn4)c(F)c3)cc1,"InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)",ZYSCOUXLBXGGIM-UHFFFAOYSA-N
BMGC_DG10004,BMG_DG149540,,s1cnc(NS(c2cc(C#N)c(Oc3c(-c4n(ncc4)C5CN(C5)CC)cc(Cl)cc3)cc2)(=O)=O)c1,,OGBDDOBYHJYBFF-UHFFFAOYSA-N
BMGC_DG10005,BMG_DG149541,C1=CC(=C(C=C1C(F)(F)F)C2=CN=NC=C2)OC3=CC(=C(C=C3Cl)S(=O)(=O)NC4=NN=CS4)F,c1cc(c(cc1C(F)(F)F)-c2ccnnc2)Oc3cc(c(cc3Cl)S(=O)(=O)Nc4nncs4)F,"InChI=1S/C19H10ClF4N5O3S2/c20-13-6-17(34(30,31)29-18-28-27-9-33-18)14(21)7-16(13)32-15-2-1-11(19(22,23)24)5-12(15)10-3-4-25-26-8-10/h1-9H,(H,28,29)",ZAGGUCLXSCVDCK-UHFFFAOYSA-N
BMGC_DG10006,BMG_DG149547,CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl,c1(cc(c(s1)Cl)-c2c(cnn2C)Cl)C(=O)N[C@H](CN)Cc3cc(ccc3)F,"InChI=1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1",AFJRDFWMXUECEW-LBPRGKRZSA-N
BMGC_DG10007,BMG_DG149552,,c1(ccc2c(c1)CCN(CCCCc3ccccc3)CC2O)OC,,NXWYICVCGHHJOR-UHFFFAOYSA-N
BMGC_DG10008,BMG_DG149557,CC1=C(C=C(C=N1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5,C(c1cc(c(cc1)CN2CCN(CC2)C)C(F)(F)F)(=O)Nc3cnc(c(c3)Nc4nc(ccn4)-c5cnccc5)C,"InChI=1S/C29H29F3N8O/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-40/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38)",BJCJYEYYYGBROF-UHFFFAOYSA-N
BMGC_DG10009,BMG_DG149558,COC1=CN(N=C(C1=O)C2=CC=NN2C3=CC=CC=C3)C4=C(C=C(C=C4)N5C=CC=N5)F,c1(c(c(cn(n1)-c2c(cc(cc2)-n3nccc3)F)OC)=O)-c4ccnn4-c5ccccc5,"InChI=1S/C23H17FN6O2/c1-32-21-15-29(19-9-8-17(14-18(19)24)28-13-5-11-25-28)27-22(23(21)31)20-10-12-26-30(20)16-6-3-2-4-7-16/h2-15H,1H3",KVHRYLNQDWXAGI-UHFFFAOYSA-N
BMGC_DG10010,BMG_DG149560,C1=CC(=CC=C1Cl)Cl,c1(Cl)ccc(cc1)Cl,InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H,OCJBOOLMMGQPQU-UHFFFAOYSA-N
BMGC_DG10011,BMG_DG149564,C1C[C@@H]2CN(CCN2C1)C(=O)C3=CC(=C(C=C3Cl)F)S(=O)(=O)NC4=CC=CC=C4F,[C@]12(CN(CCN1CCC2)C(=O)c3c(cc(c(c3)S(=O)(=O)Nc4c(cccc4)F)F)Cl)[H],"InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1",AGPIHNZOZNKRGT-CYBMUJFWSA-N
BMGC_DG10012,BMG_DG149565,CC1=CC(=CC(=C1F)OC)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OC(=O)N4)C,[nH]1c(=O)oc2ccc(Nc3c(C)cnc(Nc4cc(C)c(F)c(OC)c4)n3)cc21,"InChI=1S/C20H18FN5O3/c1-10-6-13(8-16(28-3)17(10)21)24-19-22-9-11(2)18(26-19)23-12-4-5-15-14(7-12)25-20(27)29-15/h4-9H,1-3H3,(H,25,27)(H2,22,23,24,26)",OYFMQDVLFYKOPZ-UHFFFAOYSA-N
BMGC_DG10013,BMG_DG149571,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",FDJOLVPMNUYSCM-WZHZPDAFSA-L
BMGC_DG10014,BMG_DG149584,CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F,n1(ncn(c1=O)-c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@@H]5CO[C@](C5)(c6c(cc(cc6)F)F)Cn7ncnc7)[C@H]([C@H](C)O)CC,"InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1",RAGOYPUPXAKGKH-XAKZXMRKSA-N
BMGC_DG10015,BMG_DG149586,C1=CC(=CC(=C1)Cl)C2=CC=C(C=C2)C3=NOC(=C3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N,,"InChI=1S/C28H29ClN4O8/c29-19-3-1-2-18(14-19)16-4-6-17(7-5-16)23-15-20(41-33-23)8-11-24(34)31-22(10-13-26(37)38)28(40)32-21(27(30)39)9-12-25(35)36/h1-7,14-15,21-22H,8-13H2,(H2,30,39)(H,31,34)(H,32,40)(H,35,36)(H,37,38)/t21-,22-/m0/s1",KOVQMCGGWATESY-VXKWHMMOSA-N
BMGC_DG10016,BMG_DG149587,C1=CC(=CC=C1N(C2=CC=C(C=C2)F)C(=O)C3=CC(=C(C=C3)O)F)O,Fc1c(O)ccc(c1)C(N(c2ccc(F)cc2)c3ccc(O)cc3)=O,"InChI=1S/C19H13F2NO3/c20-13-2-4-14(5-3-13)22(15-6-8-16(23)9-7-15)19(25)12-1-10-18(24)17(21)11-12/h1-11,23-24H",FBCQEUMZZNVQKD-UHFFFAOYSA-N
BMGC_DG10017,BMG_DG149588,,COc1cccc2n(Cc3cc(CNC(C(O)(C)C)=O)ccc3)nc(NS(c4ccc(Cl)s4)(=O)=O)c21,,YTEVTHHGQMUPHC-UHFFFAOYSA-N
BMGC_DG10018,BMG_DG149589,C1CN(CCN1CCCCOC2=CC3=C(C=C2)OCC(=O)N3)C4=C(C(=CC=C4)Cl)Cl,O1c2c(NC(C1)=O)cc(cc2)OCCCCN3CCN(CC3)c4c(c(ccc4)Cl)Cl,"InChI=1S/C22H25Cl2N3O3/c23-17-4-3-5-19(22(17)24)27-11-9-26(10-12-27)8-1-2-13-29-16-6-7-20-18(14-16)25-21(28)15-30-20/h3-7,14H,1-2,8-13,15H2,(H,25,28)",PMKMNTBZJOXTJW-UHFFFAOYSA-N
BMGC_DG10019,BMG_DG149591,CC1=C(C=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=NC=C(C=C3)S(=O)(=O)C)C4=CC=NN4C,c1(n(c(c(cc1-c2ccnn2C)C(NCc3ccc(cn3)S(=O)(=O)C)=O)=O)-c4cc(ccc4)C(F)(F)F)C,"InChI=1S/C25H22F3N5O4S/c1-15-20(22-9-10-31-32(22)2)12-21(23(34)30-13-17-7-8-19(14-29-17)38(3,36)37)24(35)33(15)18-6-4-5-16(11-18)25(26,27)28/h4-12,14H,13H2,1-3H3,(H,30,34)",QNQZWEGMKJBHEM-UHFFFAOYSA-N
BMGC_DG10020,BMG_DG149593,,[C@H]1(C[C@]1(NC([C@H]2N(C[C@@H](C2)Oc3c4c(cc(OC)cc4)ccn3)C([C@@H](NC(OC(C)(C)C)=O)C(C)(C)C)=O)=O)C(=O)NS(=O)(=O)C5CC5)C=C,,IYWRCNFZPNEADN-CXODAYGWSA-N
BMGC_DG10021,BMG_DG149594,,N1(CCN(CC1)Cc2cc(ccc2)Oc3ccc(cc3)Cl)C(=O)Nc4cnccc4,,CTYVKSQPMCSUOR-UHFFFAOYSA-N
BMGC_DG10022,BMG_DG149601,,COc1cc2c(cc1)CN[C@H](C2)C(=O)Nc3c(cc(cc3)-c4c[nH]nc4)OCC5CCN(CC5)C,,GFWDPXHTWJXOEI-RUZDIDTESA-N
BMGC_DG10023,BMG_DG149603,,c1cc(cc(c1O)OC)/C=C/C(N[C@@H](Cc2ccc(cc2)O)C(O)=O)=O,,RWAXPZCUFIKMTQ-BOSPYUDASA-N
BMGC_DG10024,BMG_DG149604,C[C@@H](C1=CC=C(C=C1)F)NC2=CC(=CC(=N2)NC3=NC=CN=C3)C4=CN(N=C4)C,c1(cc(cc(n1)Nc2cnccn2)-c3cnn(c3)C)N[C@@H](C)c4ccc(cc4)F,"InChI=1S/C21H20FN7/c1-14(15-3-5-18(22)6-4-15)26-19-9-16(17-11-25-29(2)13-17)10-20(27-19)28-21-12-23-7-8-24-21/h3-14H,1-2H3,(H2,24,26,27,28)/t14-/m0/s1",UQTPDWDAYHAZNT-AWEZNQCLSA-N
BMGC_DG10025,BMG_DG149605,,n1cc2c(c3nc(ccc13)-c4cnc(cc4)C)n(c(n2C)=O)C5CCN(CC5)C([C@H](C)O)=O,,GACQNUHFDBEIQH-HNNXBMFYSA-N
BMGC_DG10026,BMG_DG149616,,c1(nc(cc(n1)C)NCCc2c[n+](ccc2)[O-])-c3c(cc(c(c3)F)Br)F,,CCHGKGFZEORIJY-UHFFFAOYSA-N
BMGC_DG10027,BMG_DG149620,CN1C=NC2=C1C(=O)N(C(=O)N2)C,c12c(c(=O)n(c([nH]1)=O)C)n(C)cn2,"InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)",QUNWUDVFRNGTCO-UHFFFAOYSA-N
BMGC_DG10028,BMG_DG149621,,,,
BMGC_DG10029,BMG_DG149625,C[C@H](C(C)C)[C@]1(CC[C@@]2([C@H]3CC[C@H]4[C@]5(COC[C@]4(C3=CC[C@]2([C@@H]1C(=O)O)C)C[C@H]([C@@H]5OC[C@@](C)(C(C)(C)C)N)N6C(=NC=N6)C7=CC=NC=C7)C)C)C,[C@H]1(C[C@]23[C@]([C@]([C@H]1OC[C@](N)(C(C)(C)C)C)(COC2)C)(CC[C@]4(C3=CC[C@@]5([C@@]4(CC[C@@]([C@H]5C(=O)O)([C@@H](C(C)C)C)C)C)C)[H])[H])n6c(ncn6)-c7ccncc7,"InChI=1S/C44H67N5O4/c1-27(2)28(3)39(7)18-19-41(9)30-12-13-33-40(8)23-52-25-44(33,31(30)14-17-42(41,10)34(39)37(50)51)22-32(35(40)53-24-43(11,45)38(4,5)6)49-36(47-26-48-49)29-15-20-46-21-16-29/h14-16,20-21,26-28,30,32-35H,12-13,17-19,22-25,45H2,1-11H3,(H,50,51)/t28-,30+,32-,33+,34-,35+,39-,40-,41-,42+,43+,44+/m1/s1",BODYFEUFKHPRCK-ZCZMVWJSSA-N
BMGC_DG10030,BMG_DG149626,C1CCC(C1)[C@H]2[C@H]3CCC4=C(C3=NN2C5=CC(=C(C=C5)C#N)Cl)C=CC(=C4)C(=O)O,N=1N([C@H]([C@]2(CCc3c(C12)ccc(c3)C(=O)O)[H])C4CCCC4)c5cc(c(cc5)C#N)Cl,"InChI=1S/C24H22ClN3O2/c25-21-12-18(8-5-17(21)13-26)28-23(14-3-1-2-4-14)20-10-6-15-11-16(24(29)30)7-9-19(15)22(20)27-28/h5,7-9,11-12,14,20,23H,1-4,6,10H2,(H,29,30)/t20-,23-/m0/s1",XNULRSOGWPFPBL-REWPJTCUSA-N
BMGC_DG10031,BMG_DG149628,,C(CCCC)n1c2c(c3c1cccc3)cc(C(=O)N4CCCCC4)cc2,,NZEVKZAEMSMLMC-UHFFFAOYSA-N
BMGC_DG10032,BMG_DG149634,,C(N1CC(C(O)=O)C1)c2ccc(OCc3cc(Cl)c(Cl)cc3)cc2,,WAAWETUDFSIYSD-UHFFFAOYSA-N
BMGC_DG10033,BMG_DG149747,CN(CC#C)CC1=CC=CC=C1,C(#C)CN(Cc1ccccc1)C,"InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3",DPWPWRLQFGFJFI-UHFFFAOYSA-N
BMGC_DG10034,BMG_DG149753,,,,
BMGC_DG10035,BMG_DG149760,C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl,C([C@@H](CCC(F)(F)F)N(Cc1c(cc(cc1)-c2nocn2)F)S(=O)(=O)c3ccc(cc3)Cl)(=O)N,"InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1",XEAOPVUAMONVLA-QGZVFWFLSA-N
BMGC_DG10036,BMG_DG149762,CC(C)CN1C2=CC(=C(C=C2C=N1)OC3=C(C=C(C=C3)F)F)C(=O)NCCN(C)C,,"InChI=1S/C22H26F2N4O2/c1-14(2)13-28-19-11-17(22(29)25-7-8-27(3)4)21(9-15(19)12-26-28)30-20-6-5-16(23)10-18(20)24/h5-6,9-12,14H,7-8,13H2,1-4H3,(H,25,29)",IFGWYHGYNVGVRB-UHFFFAOYSA-N
BMGC_DG10037,BMG_DG149767,CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C,N(C(=O)Nc1ccc(cc1)-c2nn(cc2-c3c4c(ncc3)[nH]c(c4)-c5cc(ccc5)CN(C)C)CC)(C)C,"InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)",QTBWCSQGBMPECM-UHFFFAOYSA-N
BMGC_DG10038,BMG_DG149768,C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=C(N=C5N4C=CS5)C6=CC(=CC=C6)NC(=O)CC7=CC=CC=C7,,"InChI=1S/C33H29N7O2S/c41-29(21-23-5-2-1-3-6-23)35-26-8-4-7-24(22-26)30-31(40-17-20-43-33(40)38-30)28-13-14-34-32(37-28)36-25-9-11-27(12-10-25)39-15-18-42-19-16-39/h1-14,17,20,22H,15-16,18-19,21H2,(H,35,41)(H,34,36,37)",BFTPDUXUTFGDLP-UHFFFAOYSA-N
BMGC_DG10039,BMG_DG149769,,COc1cc(cc(c1O)OC)[C@H]2[C@]3([H])[C@]([H])(COC3=O)[C@H](Nc4ccc(cc4)C#N)c5cc(c(OC)cc25)OC,,WGEAIKSPJFUISL-ULBKPHCJSA-N
BMGC_DG10040,BMG_DG149770,C1CCN[C@@H](C1)[C@@H](C2=CC(=C(C=C2)O)O)O,c1(cc(O)c(cc1)O)[C@H]([C@]2(NCCCC2)[H])O,"InChI=1S/C12H17NO3/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9/h4-5,7,9,12-16H,1-3,6H2/t9-,12+/m0/s1",IYMMESGOJVNCKV-JOYOIKCWSA-N
BMGC_DG10041,BMG_DG149771,CCC1=C(C=C2CC(CC2=C1)NC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)CC,c12c([nH]c(=O)cc1)c(ccc2[C@H](CNC3Cc4c(C3)cc(c(c4)CC)CC)O)O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O5,"InChI=1S/C30H36N2O9/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)31-13-21(33)19-5-7-22(24-20(19)6-8-23(34)32-24)40-30-27(37)25(35)26(36)28(41-30)29(38)39/h5-10,18,21,25-28,30-31,33,35-37H,3-4,11-13H2,1-2H3,(H,32,34)(H,38,39)/t21-,25-,26-,27+,28-,30+/m0/s1",QTEUXTDFPHJNHA-IQEQWHAESA-N
BMGC_DG10042,BMG_DG149775,,s1c(N2CCN(CC2)C)nc(-c3ccc(C(=O)NC4(CCCCC4)C(=O)N[C@H]5[C@@H](OCC5=O)CC)cc3)c1,,BXZBNVSSBNQNPK-BJKOFHAPSA-N
BMGC_DG10043,BMG_DG149781,,N(C(=O)Nc1c2cnn(c2ccc1)C)Cc3c(cc(cc3)C(F)(F)F)CCC(C)(C)C,,SMJCAASNPAKOIB-UHFFFAOYSA-N
BMGC_DG10044,BMG_DG149808,CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C(C4=CC=C(C=C4)F)O,c1ccc2c(c1)c(nc(n2)C(c3ccc(cc3)F)O)Nc4cc([nH]n4)C,"InChI=1S/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)",DCRWIATZWHLIPN-UHFFFAOYSA-N
BMGC_DG10045,BMG_DG149810,CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4,C(C)(N1CCN(CC1)CCOc2ccc(cc2)C3CCN(CC3)C=4CCc5n(N4)c(nn5)C(F)(F)F)=O,"InChI=1S/C25H32F3N7O2/c1-18(36)33-14-12-32(13-15-33)16-17-37-21-4-2-19(3-5-21)20-8-10-34(11-9-20)23-7-6-22-29-30-24(25(26,27)28)35(22)31-23/h2-5,20H,6-17H2,1H3",JMEYDSHPKCSIJC-UHFFFAOYSA-N
BMGC_DG10046,BMG_DG149816,,C(Sc1ccc(C(Nc2ccc(F)cc2)=O)cn1)c3c(B(O)O)cccc3,,VZRIHFZJVIOJBE-UHFFFAOYSA-N
BMGC_DG10047,BMG_DG149825,,c1(c(cc(N2C(=O)N(c3cc(c(C#N)cc3)C(F)(F)F)C(C2(C)C)=O)cc1)F)C(=O)NC,,BPEQXCBJXGZMSB-UHFFFAOYSA-N
BMGC_DG10048,BMG_DG149829,C(CC(C(=O)O)N)CC(=O)O,C(C(C(O)=O)N)CCC(O)=O,"InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)",OYIFNHCXNCRBQI-UHFFFAOYSA-N
BMGC_DG10049,BMG_DG149854,,NC(=O)CSc1ccncc1S(N)(=O)=O,,GMEZLQXYYUCJAQ-UHFFFAOYSA-N
BMGC_DG10050,BMG_DG149855,,C(C[C@H]1c2n(-c3c(C(=N1)c4ccc(cc4)Cl)c(c(s3)C)C)c(nn2)C)(=O)OC(C)(C)C,,DNVXATUJJDPFDM-KRWDZBQOSA-N
BMGC_DG10051,BMG_DG149858,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,[C@@H](CC(=O)[O-])(C[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC,"InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/b13-12-/t23-/m1/s1",IPOLTUVFXFHAHI-WHIOSMTNSA-N
BMGC_DG10052,BMG_DG149865,CCC1=CC=C(C=C1)CC2=CC3=C(CO[C@@]34[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C2.O,c1c(cc2c(c1)CO[C@]32[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cc4ccc(cc4)CC.O,"InChI=1S/C22H26O6.H2O/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22;/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3;1H2/t18-,19-,20+,21-,22+;/m1./s1",ZXOCGDDVNPDRIW-NHFZGCSJSA-N
BMGC_DG10053,BMG_DG149866,CCC1=CC=C(C=C1)CC2=CC3=C(CO[C@@]34[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C2,c1c(cc2c(c1)CO[C@]32[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cc4ccc(cc4)CC,"InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22+/m1/s1",VWVKUNOPTJGDOB-BDHVOXNPSA-N
BMGC_DG10054,BMG_DG149873,,C1COCCN1C(=O)C2CCN(CC2)c3ccc(cc3)NC(=O)N4CCN(CC4)C(=O)c5cccn5C,,ZNFJGCDCPYTEKF-UHFFFAOYSA-N
BMGC_DG10055,BMG_DG149877,CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2,n1cccc2cc(ccc12)C(c3nnc4ccc(nn43)-c5cnn(c5)C)(F)F,"InChI=1S/C19H13F2N7/c1-27-11-13(10-23-27)16-6-7-17-24-25-18(28(17)26-16)19(20,21)14-4-5-15-12(9-14)3-2-8-22-15/h2-11H,1H3",JRWCBEOAFGHNNU-UHFFFAOYSA-N
BMGC_DG10056,BMG_DG149884,CC1=NC2=C(N=C(N=C2N1C(C)C)N3CCOCC3)C4=CN=C(N=C4)N,c1(ncc(cn1)-c2nc(nc3n(c(nc23)C)C(C)C)N4CCOCC4)N,"InChI=1S/C17H22N8O/c1-10(2)25-11(3)21-14-13(12-8-19-16(18)20-9-12)22-17(23-15(14)25)24-4-6-26-7-5-24/h8-10H,4-7H2,1-3H3,(H2,18,19,20)",QYBGBLQCOOISAR-UHFFFAOYSA-N
BMGC_DG10057,BMG_DG149895,,COc1cc(/C=C/2\SC(=O)NC2=O)ccc1Oc3ccc(C#N)cc3C(F)(F)F,,OBBIOCQFTMNSJI-PXNMLYILSA-N
BMGC_DG10058,BMG_DG149896,CSC1=NC(=C(C(=N1)Cl)C=O)NCC2=CC=C(C=C2)S(=O)(=O)N,,"InChI=1S/C13H13ClN4O3S2/c1-22-13-17-11(14)10(7-19)12(18-13)16-6-8-2-4-9(5-3-8)23(15,20)21/h2-5,7H,6H2,1H3,(H2,15,20,21)(H,16,17,18)",NPWLBLGDDVPXFE-UHFFFAOYSA-N
BMGC_DG10059,BMG_DG149897,CC1=CC2=C(O1)C=C(C=C2OC3=CN=C(N=C3)C(=O)N(C)C)C(=O)NC4=NC=C(N=C4)C,c1(ncc(cn1)Oc2cc(cc3c2cc(o3)C)C(Nc4cnc(cn4)C)=O)C(=O)N(C)C,"InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)",MASKQITXHVYVFL-UHFFFAOYSA-N
BMGC_DG10060,BMG_DG149905,CC1=C(C=CC(=C1)C2=CC=CC=C2[C@@H](C)OC[C@@H](CNC(C)(C)CC3=CC(=C(C=C3)Cl)F)O)C(=O)O,c1cc(c(cc1)[C@H](OC[C@@H](CNC(Cc2ccc(c(c2)F)Cl)(C)C)O)C)-c3ccc(c(c3)C)C(=O)O,"InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1",UNFHDRVFEQPUEL-DENIHFKCSA-N
BMGC_DG10061,BMG_DG149962,CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO,C1C[C@@H](CCO)N(c2nc3n(ncc3CC)c(NCc4c[n+](ccc4)[O-])c2)CC1,"InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1",PIMQWRZWLQKKBJ-SFHVURJKSA-N
BMGC_DG10062,BMG_DG149965,C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)N3CCOC4=NC=NC(=C4C3=O)N,OC(=O)C[C@@H]1CC[C@@H](c2ccc(N3C(=O)c4c(N)ncnc4OCC3)cc2)CC1,"InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)",GEVVQZHMFVFGLN-UHFFFAOYSA-N;GEVVQZHMFVFGLN-HDJSIYSDSA-N
BMGC_DG10063,BMG_DG149970,CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4,c1cc(cc(n1)C)-c2ncc(cc2C)CC(Nc3ncc(cc3)-c4nccnc4)=O,"InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)",XXYGTCZJJLTAGH-UHFFFAOYSA-N
BMGC_DG10064,BMG_DG150023,,c1cc(-c2c(cccc2)C)c(C(F)(F)F)cc1-c3onc(n3)-c4ccc(CN(C)CCC(O)=O)c(c4)F,,WGQKJRQXCSGORT-UHFFFAOYSA-N
BMGC_DG10065,BMG_DG150036,,,,
BMGC_DG10066,BMG_DG150038,CC(C)C[C@H](C(=O)N[C@H](CC1=CC=CC=C1)C=O)NC(=O)[C@@H]([C@H]2CCN=C(N2)N)NC(=O)N[C@H](CC3=CC=CC=C3)C(=O)O,,"InChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23-,24-,25-,26-/m1/s1",MRXDGVXSWIXTQL-ZFXZZAOISA-N
BMGC_DG10067,BMG_DG150039,,,,
BMGC_DG10068,BMG_DG150040,,,,
BMGC_DG10069,BMG_DG150043,,,,
BMGC_DG10070,BMG_DG150044,,,,
BMGC_DG10071,BMG_DG150045,,,,
BMGC_DG10072,BMG_DG150046,,,,
BMGC_DG10073,BMG_DG150049,,,,
BMGC_DG10074,BMG_DG150050,,,,
BMGC_DG10075,BMG_DG150051,,,,
BMGC_DG10076,BMG_DG150052,,,,
BMGC_DG10077,BMG_DG150054,,,,
BMGC_DG10078,BMG_DG150055,,O=c1n(ccc(=O)[nH]1)[C@@H]2O[C@H](COP(OP(=O)(O)O)(=O)O)[C@@H](O)C2,,QHWZTVCCBMIIKE-SHYZEUOFSA-N
BMGC_DG10079,BMG_DG150057,,,,
BMGC_DG10080,BMG_DG150060,,,,
BMGC_DG10081,BMG_DG150061,,,,
BMGC_DG10082,BMG_DG150063,,,,
BMGC_DG10083,BMG_DG150064,,,,
BMGC_DG10084,BMG_DG150065,,,,
BMGC_DG10085,BMG_DG150068,CCOP(=O)([C@@H](C)NC(=O)N(CCCl)N=O)OCC,,"InChI=1S/C9H19ClN3O5P/c1-4-17-19(16,18-5-2)8(3)11-9(14)13(12-15)7-6-10/h8H,4-7H2,1-3H3,(H,11,14)/t8-/m0/s1",YAKWPXVTIGTRJH-QMMMGPOBSA-N
BMGC_DG10086,BMG_DG150069,,,,
BMGC_DG10087,BMG_DG150073,,,,
BMGC_DG10088,BMG_DG150076,,,,
BMGC_DG10089,BMG_DG150078,,,,
BMGC_DG10090,BMG_DG150079,,,,
BMGC_DG10091,BMG_DG150080,,,,
BMGC_DG10092,BMG_DG150081,,,,
BMGC_DG10093,BMG_DG150083,,,,
BMGC_DG10094,BMG_DG150088,,,,
BMGC_DG10095,BMG_DG150089,,,,
BMGC_DG10096,BMG_DG150090,,,,
BMGC_DG10097,BMG_DG150092,,,,
BMGC_DG10098,BMG_DG150095,,,,
BMGC_DG10099,BMG_DG150096,,,,
BMGC_DG10100,BMG_DG150097,,,,
BMGC_DG10101,BMG_DG150098,,,,
BMGC_DG10102,BMG_DG150099,,,,
BMGC_DG10103,BMG_DG150100,,,,
BMGC_DG10104,BMG_DG150103,,,,
BMGC_DG10105,BMG_DG150104,,,,
BMGC_DG10106,BMG_DG150105,,,,
BMGC_DG10107,BMG_DG150107,,,,
BMGC_DG10108,BMG_DG150108,,,,
BMGC_DG10109,BMG_DG150111,,,,
BMGC_DG10110,BMG_DG150114,,,,
BMGC_DG10111,BMG_DG150116,,,,
BMGC_DG10112,BMG_DG150118,,,,
BMGC_DG10113,BMG_DG150119,,,,
BMGC_DG10114,BMG_DG150120,,,,
BMGC_DG10115,BMG_DG150121,,,,
BMGC_DG10116,BMG_DG150122,,,,
BMGC_DG10117,BMG_DG150124,,,,
BMGC_DG10118,BMG_DG150125,,,,
BMGC_DG10119,BMG_DG150126,,,,
BMGC_DG10120,BMG_DG150127,,,,
BMGC_DG10121,BMG_DG150128,,,,
BMGC_DG10122,BMG_DG150129,,,,
BMGC_DG10123,BMG_DG150130,,,,
BMGC_DG10124,BMG_DG150132,,,,
BMGC_DG10125,BMG_DG150133,,,,
BMGC_DG10126,BMG_DG150135,,,,
BMGC_DG10127,BMG_DG150136,,,,
BMGC_DG10128,BMG_DG150137,,,,
BMGC_DG10129,BMG_DG150138,,,,
BMGC_DG10130,BMG_DG150139,,,,
BMGC_DG10131,BMG_DG150140,,,,
BMGC_DG10132,BMG_DG150141,,,,
BMGC_DG10133,BMG_DG150142,,,,
BMGC_DG10134,BMG_DG150143,,,,
BMGC_DG10135,BMG_DG150145,,,,
BMGC_DG10136,BMG_DG150146,,,,
BMGC_DG10137,BMG_DG150147,,,,
BMGC_DG10138,BMG_DG150149,,,,
BMGC_DG10139,BMG_DG150150,,,,
BMGC_DG10140,BMG_DG150151,,,,
BMGC_DG10141,BMG_DG150152,,,,
BMGC_DG10142,BMG_DG150153,,,,
BMGC_DG10143,BMG_DG150154,,,,
BMGC_DG10144,BMG_DG150161,,,,
BMGC_DG10145,BMG_DG150163,,,,
BMGC_DG10146,BMG_DG150165,,,,
BMGC_DG10147,BMG_DG150166,,,,
BMGC_DG10148,BMG_DG150167,,,,
BMGC_DG10149,BMG_DG150168,,,,
BMGC_DG10150,BMG_DG150170,,,,
BMGC_DG10151,BMG_DG150171,,,,
BMGC_DG10152,BMG_DG150175,,C(CCCCCCCCCCCCCC(SC[C@@H](C(O)=O)N)=O)C,,FRAMWPHPFIXRCP-KRWDZBQOSA-N
BMGC_DG10153,BMG_DG150176,,,,
BMGC_DG10154,BMG_DG150178,,,,
BMGC_DG10155,BMG_DG150183,,,,
BMGC_DG10156,BMG_DG150184,,,,
BMGC_DG10157,BMG_DG150185,,,,
BMGC_DG10158,BMG_DG150186,,,,
BMGC_DG10159,BMG_DG150187,,,,
BMGC_DG10160,BMG_DG150188,,,,
BMGC_DG10161,BMG_DG150189,,,,
BMGC_DG10162,BMG_DG150190,,,,
BMGC_DG10163,BMG_DG150192,,,,
BMGC_DG10164,BMG_DG150193,,,,
BMGC_DG10165,BMG_DG150195,,,,
BMGC_DG10166,BMG_DG150196,,,,
BMGC_DG10167,BMG_DG150197,,,,
BMGC_DG10168,BMG_DG150199,,,,
BMGC_DG10169,BMG_DG150207,C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3=C(N=NS3)C4=CC=CC=C4)NC,N1([C@](C(=O)Nc2snnc2-c3ccccc3)(CCC1)[H])C([C@@H](NC([C@@H](NC)C)=O)C4CCCCC4)=O,"InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1",WZRFLSDVFPIXOV-LRQRDZAKSA-N
BMGC_DG10170,BMG_DG150210,,Cc1ccccc1-c2cccc(CNc3ccc(CCC(=O)O)cc3)c2,,RUPXKSLKGSSZCP-UHFFFAOYSA-N
BMGC_DG10171,BMG_DG150213,C1=CC=C2C(=C1)C(=O)NS2(=O)=O.O.O.[Na],,"InChI=1S/C7H5NO3S.Na.2H2O/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;/h1-4H,(H,8,9);;2*1H2",UQKRDMFNUSMUCB-UHFFFAOYSA-N
BMGC_DG10172,BMG_DG150215,CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C,C(C[C@H]1c2n(c(nn2)C)-c3c(cc(cc3)OC)C(=N1)c4ccc(cc4)Cl)(=O)NCC,"InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1",AAAQFGUYHFJNHI-SFHVURJKSA-N
BMGC_DG10173,BMG_DG150216,,,,
BMGC_DG10174,BMG_DG150220,C[C@H](C1=C(C=NC=C1Cl)Cl)OC2=CC3=C(C=C2)NN=C3/C=C/C4=CN(N=C4)CCO,C(Cn1ncc(c1)/C=C/c2n[nH]c3ccc(cc23)O[C@H](C)c4c(cncc4Cl)Cl)O,"InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1",GKJCVYLDJWTWQU-CXLRFSCWSA-N
BMGC_DG10175,BMG_DG150223,C1CC2COCC1N2C3=NC(=NC(=N3)N4CCOCC4)C5=CC=C(C=C5)NC(=O)NC6=CC=NC=C6,,"InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34)",WXUUCRLKXQMWRY-UHFFFAOYSA-N
BMGC_DG10176,BMG_DG150227,C1C=C2C(=CC(=O)O2)C(O1)O,OC1C2=CC(=O)OC2=CCO1,"InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2",ZRWPUFFVAOMMNM-UHFFFAOYSA-N
BMGC_DG10177,BMG_DG150229,C1=C[C@H](O[C@H]1CO)N2C=C(C(=NC2=O)N)F,n1(c(nc(c(c1)F)N)=O)[C@H]2O[C@@H](CO)C=C2,"InChI=1S/C9H10FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h1-3,5,7,14H,4H2,(H2,11,12,15)/t5-,7+/m1/s1",HSBKFSPNDWWPSL-VDTYLAMSSA-N
BMGC_DG10178,BMG_DG150247,COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OC,c12c(ncnc1cc(c(c2)OC)OC)Nc3cc(Br)ccc3,"InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)",LSPANGZZENHZNJ-UHFFFAOYSA-N
BMGC_DG10179,BMG_DG150250,,C(C=C)(=O)Nc1cc2c(ncnc2cc1)Nc3cc(ccc3)Br,,HTUBKQUPEREOGA-UHFFFAOYSA-N
BMGC_DG10180,BMG_DG150251,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C,,"InChI=1S/C25H36O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h3,13-16,18-21,23,27-29H,4-11H2,1-2H3,(H,30,31)/t13-,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1",GLONBVCUAVPJFV-PCDHEYSGSA-N
BMGC_DG10181,BMG_DG150253,C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N,[C@@H]1(O[C@@]2([C@H]([C@](O[C@@H]3[C@@H](CC[C@H](O3)CN)N)([C@H](C[C@H]2N)N)[H])O)[H])[C@H](O)[C@H]([C@@H]([C@@H](CO)O1)O)N,"InChI=1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1",JJCQSGDBDPYCEO-XVZSLQNASA-N
BMGC_DG10182,BMG_DG150262,CC(C)NC1=NC2=CC(=C(C=C2N1[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O)Cl)Cl,c12n(c(nc2cc(c(c1)Cl)Cl)NC(C)C)[C@@H]3[C@H]([C@H]([C@H](CO)O3)O)O,"InChI=1S/C15H19Cl2N3O4/c1-6(2)18-15-19-9-3-7(16)8(17)4-10(9)20(15)14-13(23)12(22)11(5-21)24-14/h3-4,6,11-14,21-23H,5H2,1-2H3,(H,18,19)/t11-,12-,13-,14-/m0/s1",KJFBVJALEQWJBS-XUXIUFHCSA-N
BMGC_DG10183,BMG_DG150265,C1=CC(=CC=C1C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)[N+](=O)[O-],n1c([nH]c(c1-c2ccc(cc2)F)-c3ccncc3)-c4ccc(cc4)[N+]([O-])=O,"InChI=1S/C20H13FN4O2/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27/h1-12H,(H,23,24)",BGIYKDUASORTBB-UHFFFAOYSA-N
BMGC_DG10184,BMG_DG150268,COC1=CC=CC(=C1N)C2=CC(=O)C3=CC=CC=C3O2,o1c2c(c(cc1-c3c(c(ccc3)OC)N)=O)cccc2,"InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3",QFWCYNPOPKQOKV-UHFFFAOYSA-N
BMGC_DG10185,BMG_DG150277,,C(N[C@@H](C(C)C)C(=O)N[C@H]([C@@H](CN1[C@@H](CN(CC1)Cc2cc3OCOc3cc2)C(=O)NC(C)(C)C)O)Cc4ccccc4)(=O)OCc5nc(sc5)C(C)C,,LZAICYPRHBGZTR-XREYCITQSA-N
BMGC_DG10186,BMG_DG150294,,,,
BMGC_DG10187,BMG_DG150295,C1=CC=C(C=C1)C2C(=O)N=C(O2)N,N=1C(C(c2ccccc2)OC1N)=O,"InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)",NRNCYVBFPDDJNE-UHFFFAOYSA-N
BMGC_DG10188,BMG_DG150296,CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5[N+](=O)[O-])N=C4C3=C2)O,n12c(-c3nc4cccc([N+]([O-])=O)c4cc3C1)cc5c(c2=O)COC(=O)[C@]5(O)CC,"InChI=1S/C20H15N3O6/c1-2-20(26)13-7-16-17-10(8-22(16)18(24)12(13)9-29-19(20)25)6-11-14(21-17)4-3-5-15(11)23(27)28/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1",VHXNKPBCCMUMSW-FQEVSTJZSA-N
BMGC_DG10189,BMG_DG150298,,,,
BMGC_DG10190,BMG_DG150305,CN(CCCC(=O)C1=CN=CC=C1)N=O,n1cc(ccc1)C(CCCN(C)N=O)=O,"InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3",FLAQQSHRLBFIEZ-UHFFFAOYSA-N
BMGC_DG10191,BMG_DG150308,C1=CC=C2C(=C1)C3=CC(=C(C=C3O2)Cl)Cl,c12cc(Cl)c(Cl)cc1oc3ccccc32,InChI=1S/C12H6Cl2O/c13-9-5-8-7-3-1-2-4-11(7)15-12(8)6-10(9)14/h1-6H,GETJJZZRPQFSFM-UHFFFAOYSA-N
BMGC_DG10192,BMG_DG150309,CSCCC(=O)C(=O)O,C(C(=O)CCSC)(=O)O,"InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)",SXFSQZDSUWACKX-UHFFFAOYSA-N
BMGC_DG10193,BMG_DG150310,C1=CC2=C(C=C1Cl)C3=C(O2)C(=CC(=C3Cl)Cl)Cl,c12c(Cl)c(Cl)cc(Cl)c1oc3ccc(Cl)cc32,InChI=1S/C12H4Cl4O/c13-5-1-2-9-6(3-5)10-11(16)7(14)4-8(15)12(10)17-9/h1-4H,BFTASCFRRBHFFK-UHFFFAOYSA-N
BMGC_DG10194,BMG_DG150313,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C,[C@@H]1(O)CC=2[C@]([C@@]3([C@@]([C@@H](O)C2)([C@]4([C@]([C@@]([C@H](C)CCCC(C)C)(CC4)[H])(C)CC3)[H])[H])[H])(C)CC1,"InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1",OYXZMSRRJOYLLO-KGZHIOMZSA-N
BMGC_DG10195,BMG_DG150314,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C,,"InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23+,24+,26+,27-/m1/s1",BQMSKLCEWBSPPY-CGSQRZAOSA-N
BMGC_DG10196,BMG_DG150316,CC1=C(SSC1=S)C2=NC=CN=C2,c1(c(c(=S)ss1)C)-c2nccnc2,"InChI=1S/C8H6N2S3/c1-5-7(12-13-8(5)11)6-4-9-2-3-10-6/h2-4H,1H3",CKNAQFVBEHDJQV-UHFFFAOYSA-N
BMGC_DG10197,BMG_DG150317,C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C,,"InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2",YXSLJKQTIDHPOT-UHFFFAOYSA-N
BMGC_DG10198,BMG_DG150318,C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-],,"InChI=1S/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2",XXZSQOVSEBAPGS-UHFFFAOYSA-L
BMGC_DG10199,BMG_DG150328,C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N,C(c1ccc(cc1)OCCCCCOc2ccc(C(=N)N)cc2)(=N)N,"InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)",XDRYMKDFEDOLFX-UHFFFAOYSA-N
BMGC_DG10200,BMG_DG150331,CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O,,"InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3",VOKSWYLNZZRQPF-UHFFFAOYSA-N
BMGC_DG10201,BMG_DG150335,CCCC(C)C1(C(=O)NC(=O)NC1=O)CC,C1(C(C(=O)NC(N1)=O)(C(CCC)C)CC)=O,"InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",WEXRUCMBJFQVBZ-UHFFFAOYSA-N
BMGC_DG10202,BMG_DG150341,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C,c12c(c(=O)n(CCCCC(=O)C)c(n1C)=O)n(C)cn2,"InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3",BYPFEZZEUUWMEJ-UHFFFAOYSA-N
BMGC_DG10203,BMG_DG150353,,c1ccccc1C(OCCN2CCN(CC2)CCCc3ccccc3)c4ccc(cc4)F,,NRFRVJIPDSIXRE-UHFFFAOYSA-N
BMGC_DG10204,BMG_DG150355,CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42,c1cccc2Sc3ccccc3N(c21)CCCN4CCN(CC4)C,"InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3",WEYVCQFUGFRXOM-UHFFFAOYSA-N
BMGC_DG10205,BMG_DG150366,C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3,C(CC1NCCCC1)(C2CCCCC2)C3CCCCC3,"InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2",CYXKNKQEMFBLER-UHFFFAOYSA-N
BMGC_DG10206,BMG_DG150368,C1CN(CCC1O)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N,N1(c2c(ccc(C#N)c2)Sc3c1cccc3)CCCN4CCC(O)CC4,"InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2",LUALIOATIOESLM-UHFFFAOYSA-N
BMGC_DG10207,BMG_DG150370,C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-],c1(c(Cl)cccc1Cl)SC(Cn2ccnc2)CCc3ccc(cc3)Cl.O=[N+](O)[O-],"InChI=1S/C19H17Cl3N2S.HNO3/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22;2-1(3)4/h1-5,7-8,10-11,13,16H,6,9,12H2;(H,2,3,4)",ZHPWRQIPPNZNML-UHFFFAOYSA-N
BMGC_DG10208,BMG_DG150371,C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl,c1(SC(Cn2cncc2)CCc3ccc(cc3)Cl)c(Cl)cccc1Cl,"InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2",SWLMUYACZKCSHZ-UHFFFAOYSA-N
BMGC_DG10209,BMG_DG150372,,,,
BMGC_DG10210,BMG_DG150373,C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO,N1(c2c(ccc(c2)Cl)Sc3c1cccc3)CCCN4CCN(CC4)CCO,"InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2",RGCVKNLCSQQDEP-UHFFFAOYSA-N
BMGC_DG10211,BMG_DG150378,CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)O)OC)OC2)C(=O)O,[C@@]1(C(=O)N2[C@@]1(OCC(CSc3n(nnn3)C)=C2C(O)=O)[H])(NC(C(C(O)=O)c4ccc(cc4)O)=O)OC,"InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12?,18-,20+/m1/s1",JWCSIUVGFCSJCK-CAVRMKNVSA-N
BMGC_DG10212,BMG_DG150394,C1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-],[N+]([O-])(=O)OCCNC(c1cnccc1)=O,"InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)",LBHIOVVIQHSOQN-UHFFFAOYSA-N
BMGC_DG10213,BMG_DG150395,C1=CC=C(C=C1)CC(=O)NC(=O)N,N(C(=O)N)C(=O)Cc1ccccc1,"InChI=1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)",XPFRXWCVYUEORT-UHFFFAOYSA-N
BMGC_DG10214,BMG_DG150400,CCOC1=CC=C(C=C1)NC(=O)C,C(Nc1ccc(cc1)OCC)(=O)C,"InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)",CPJSUEIXXCENMM-UHFFFAOYSA-N
BMGC_DG10215,BMG_DG150403,,n1(c(ccc1)C(CC(C(=O)O)=O)=O)Cc2ccc(cc2)F,,PJIBKQJSMPMZCH-UHFFFAOYSA-N
BMGC_DG10216,BMG_DG150405,C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N,N(\c1ccccc1)=N/c2c(nc(cc2)N)N,"InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)",QPFYXYFORQJZEC-FOCLMDBBSA-N;QPFYXYFORQJZEC-UHFFFAOYSA-N
BMGC_DG10217,BMG_DG150406,C1=CC=C2C(=C1)N=C3C=CC=CC3=N2,c12ccccc1nc3ccccc3n2,InChI=1S/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H,PCNDJXKNXGMECE-UHFFFAOYSA-N
BMGC_DG10218,BMG_DG150408,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@@H]3CO[C@@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl,[C@@]1(c2c(cc(cc2)Cl)Cl)(O[C@H](COc3ccc(N4CCN(CC4)C(=O)C)cc3)CO1)Cn5cncc5,"InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1",XMAYWYJOQHXEEK-ZEQKJWHPSA-N
BMGC_DG10219,BMG_DG150411,C1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O,C1(C(C(=O)c2c1cccc2)c3ccccc3)=O,"InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H",NFBAXHOPROOJAW-UHFFFAOYSA-N
BMGC_DG10220,BMG_DG150413,C1CN(CC2=CC(=NN=C21)NN)C(=O)C3=CC=CC=C3,c12c(c/c(/[nH]n1)=N/N)CN(CC2)C(c3ccccc3)=O,"InChI=1S/C14H15N5O/c15-16-13-8-11-9-19(7-6-12(11)17-18-13)14(20)10-4-2-1-3-5-10/h1-5,8H,6-7,9,15H2,(H,16,18)",ALAXZYHFVBSJKZ-UHFFFAOYSA-N
BMGC_DG10221,BMG_DG150415,CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2,C(CCN(C)C)(c1ncccc1)c2ccccc2,"InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3",IJHNSHDBIRRJRN-UHFFFAOYSA-N
BMGC_DG10222,BMG_DG150417,CC1C(OCCN1)C2=CC=CC=C2,,"InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3",OOBHFESNSZDWIU-UHFFFAOYSA-N
BMGC_DG10223,BMG_DG150419,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,C1(C(C(=O)NC(N1)=O)(c2ccccc2)CC)=O,"InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)",DDBREPKUVSBGFI-UHFFFAOYSA-N
BMGC_DG10224,BMG_DG150421,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,C1(OC(=O)c2c1cccc2)(c3ccc(cc3)O)c4ccc(cc4)O,"InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H",KJFMBFZCATUALV-UHFFFAOYSA-N
BMGC_DG10225,BMG_DG150422,CN(C/C=C/C1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32,c1(c2c(cccc2)ccc1)CN(C/C=C/c3ccccc3)C,"InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8+",OZGNYLLQHRPOBR-DHZHZOJOSA-N
BMGC_DG10226,BMG_DG150429,C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl,c1c(-c2ccc(Cl)cc2Cl)cc(Cl)c(Cl)c1Cl,InChI=1S/C12H5Cl5/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H,YAHNWSSFXMVPOU-UHFFFAOYSA-N
BMGC_DG10227,BMG_DG150435,CC(=CC1C(C1(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C,C1(C(C(OCc2cc(Oc3ccccc3)ccc2)=O)C1(C)C)C=C(C)C,"InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3",SBNFWQZLDJGRLK-UHFFFAOYSA-N
BMGC_DG10228,BMG_DG150437,CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2,N(Cc1ccccc1)(C(COc2ccccc2)C)CCCl,"InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3",QZVCTJOXCFMACW-UHFFFAOYSA-N
BMGC_DG10229,BMG_DG150439,C[C@H](CC1=CC(=C(C=C1)OC)OC)[C@@H](C)CC2=CC(=C(C=C2)OC)OC,c1(c(ccc(c1)C[C@H]([C@H](Cc2cc(OC)c(cc2)OC)C)C)OC)OC,"InChI=1S/C22H30O4/c1-15(11-17-7-9-19(23-3)21(13-17)25-5)16(2)12-18-8-10-20(24-4)22(14-18)26-6/h7-10,13-16H,11-12H2,1-6H3/t15-,16+",ORQFDHFZSMXRLM-IYBDPMFKSA-N
BMGC_DG10230,BMG_DG150444,C1=CC=C(C=C1)CCCOC(=O)N,C(=O)(N)OCCCc1ccccc1,"InChI=1S/C10H13NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)",CAMYKONBWHRPDD-UHFFFAOYSA-N
BMGC_DG10231,BMG_DG150446,CC(C)(CC1=CC=CC=C1)N,C(Cc1ccccc1)(N)(C)C,"InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3",DHHVAGZRUROJKS-UHFFFAOYSA-N
BMGC_DG10232,BMG_DG150451,CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC(=C(C=C7)O)OS(=O)(=O)O)O)O)[C@@H](CC(=O)N)O)C)O)O)O,N12[C@](C(N[C@@H]([C@@H](C[C@@H](C(N[C@]([C@H](O)C)([H])C(N3[C@](C(N[C@](C(N[C@](C1=O)([C@@H](CC(=O)N)O)[H])=O)([C@@H]([C@H](c4cc(OS(O)(=O)=O)c(cc4)O)O)O)[H])=O)(C[C@@H](O)C3)[H])=O)=O)NC(c5ccc(-c6noc(c6)-c7ccc(cc7)OCCCCC)cc5)=O)O)O)=O)([C@@H](O)[C@H](C2)C)[H],"InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1",PIEUQSKUWLMALL-YABMTYFHSA-N
BMGC_DG10233,BMG_DG150453,C1=CC=C(C=C1)CCCC(=O)O,c1ccc(cc1)CCCC(=O)O,"InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)",OBKXEAXTFZPCHS-UHFFFAOYSA-N
BMGC_DG10234,BMG_DG150462,C1CN(N=C1N)C2=CC=CC(=C2)C(F)(F)F,c1(cccc(C(F)(F)F)c1)N2CCC(N)=N2,"InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)",CPXGGWXJNQSFEP-UHFFFAOYSA-N
BMGC_DG10235,BMG_DG150463,C1=CC=C(C=C1)N=C(N)N=C(N)N,c1(NC(NC(N)=N)=N)ccccc1,"InChI=1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)",CUQCMXFWIMOWRP-UHFFFAOYSA-N
BMGC_DG10236,BMG_DG150464,CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,N1(N(C(=O)C(C1=O)CCCC)c2ccccc2)c3ccccc3,"InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3",VYMDGNCVAMGZFE-UHFFFAOYSA-N
BMGC_DG10237,BMG_DG150465,CCCN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC,c12c3c(cccc3[nH]c1)[C@@]4([C@@](C2)(N(C[C@H](CSC)C4)CCC)[H])[H],"InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1",YEHCICAEULNIGD-MZMPZRCHSA-N
BMGC_DG10238,BMG_DG150473,,,,
BMGC_DG10239,BMG_DG150474,C1=CC=C(C=C1)CS(=O)(=O)F,c1(CS(=O)(=O)F)ccccc1,"InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2",YBYRMVIVWMBXKQ-UHFFFAOYSA-N
BMGC_DG10240,BMG_DG150477,CC(C(C1=CC=CC=C1)O)N,,"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3",DLNKOYKMWOXYQA-UHFFFAOYSA-N
BMGC_DG10241,BMG_DG150485,C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O,c1(c(cc(cc1O)O)O)C(=O)CCc2ccc(cc2)O,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",VGEREEWJJVICBM-UHFFFAOYSA-N
BMGC_DG10242,BMG_DG150507,CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O,[C@@]12([C@@]([C@H]([C@@H](O)[C@@]3([C@@]1([C@H](CCC3(C)C)O)C)[H])OC(=O)C)(O[C@](CC2=O)(C=C)C)C)O,"InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1",OHCQJHSOBUTRHG-KGGHGJDLSA-N
BMGC_DG10243,BMG_DG150508,CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl,c1c2nc(Oc3ccc(OC(C)C(OCC)=O)cc3)oc2cc(c1)Cl,"InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3",PQKBPHSEKWERTG-UHFFFAOYSA-N
BMGC_DG10244,BMG_DG150513,CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C,O[C@H](CC=C(C)C)C1=CC(c2c(c(ccc2O)O)C1=O)=O,"InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1",NEZONWMXZKDMKF-SNVBAGLBSA-N
BMGC_DG10245,BMG_DG150516,CC1=CC=C(C=C1)C23CC2CNC3,,"InChI=1S/C12H15N/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12/h2-5,11,13H,6-8H2,1H3",OFYVIGTWSQPCLF-UHFFFAOYSA-N
BMGC_DG10246,BMG_DG150518,CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O.O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)C)[H])NC([C@@H](c3ccc(cc3)O)N)=O.O,"InChI=1S/C16H17N3O5S.H2O/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8;/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24);1H2/t10-,11-,15-;/m1./s1",NBFNMSULHIODTC-CYJZLJNKSA-N
BMGC_DG10247,BMG_DG150519,CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)C)[H])NC([C@@H](c3ccc(cc3)O)N)=O,"InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1",BOEGTKLJZSQCCD-UEKVPHQBSA-N
BMGC_DG10248,BMG_DG150521,,C(C(=O)NO)OP(=O)(O)O,,BAXHHWZKQZIJID-UHFFFAOYSA-N
BMGC_DG10249,BMG_DG150525,COC1=CC(=CC(=C1OC)C(=O)NCC2CCCN2CC=C)S(=O)(=O)N,C(N1CCCC1CNC(c2cc(S(N)(=O)=O)cc(OC)c2OC)=O)C=C,"InChI=1S/C17H25N3O5S/c1-4-7-20-8-5-6-12(20)11-19-17(21)14-9-13(26(18,22)23)10-15(24-2)16(14)25-3/h4,9-10,12H,1,5-8,11H2,2-3H3,(H,19,21)(H2,18,22,23)",RYJXBGGBZJGVQF-UHFFFAOYSA-N
BMGC_DG10250,BMG_DG150528,C(CC(=O)N)C(=O)C(=O)O,,"InChI=1S/C5H7NO4/c6-4(8)2-1-3(7)5(9)10/h1-2H2,(H2,6,8)(H,9,10)",COJBGNAUUSNXHX-UHFFFAOYSA-N
BMGC_DG10251,BMG_DG150533,CN1CCCCC1CCC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC,C(Nc1c(CCC2N(C)CCCC2)cccc1)(c3ccc(cc3)OC)=O,"InChI=1S/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)",PJWPNDMDCLXCOM-UHFFFAOYSA-N
BMGC_DG10252,BMG_DG150534,C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)O,S(Nc1nccs1)(c2ccc(NC(c3c(C(=O)O)cccc3)=O)cc2)(=O)=O,"InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)",PBMSWVPMRUJMPE-UHFFFAOYSA-N
BMGC_DG10253,BMG_DG150536,CC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=CC=C3)O)C,,"InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-18-19(20(14)23)16(22)11-17(24-18)13-6-4-3-5-7-13/h3-8,10,17,21,23H,9,11H2,1-2H3",UOWOIGNEFLTNAW-UHFFFAOYSA-N
BMGC_DG10254,BMG_DG150537,CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)C,c12C(C[C@H](Oc1c(c(cc2O)O)CC=C(C)C)c3ccc(cc3)O)=O,"InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1",LPEPZZAVFJPLNZ-SFHVURJKSA-N
BMGC_DG10255,BMG_DG150538,CC(=CCC1=C(C=CC(=C1)C2CC(=O)C3=C(O2)C(=C(C=C3)O)CC=C(C)C)O)C,,"InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3",CUFAXDWQDQQKFF-UHFFFAOYSA-N
BMGC_DG10256,BMG_DG150540,CC1(C=CC2=C(C=CC(=C2O1)C3=CC4=C(C=C(C=C4)O)OC3)O)C,c1c(c2c(c(c1)O)C=CC(O2)(C)C)C=3COc4cc(O)ccc4C3,"InChI=1S/C20H18O4/c1-20(2)8-7-16-17(22)6-5-15(19(16)24-20)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-10,21-22H,11H2,1-2H3",NGGYSPUAKQMTNP-UHFFFAOYSA-N
BMGC_DG10257,BMG_DG150542,CC(=CCC1=C(C=C2C(=C1OC)C=C(O2)C3=C(C=C(C=C3)O)O)OC)C,c1(cc2c(c(c1CC=C(C)C)OC)cc(o2)-c3ccc(cc3O)O)OC,"InChI=1S/C21H22O5/c1-12(2)5-7-15-18(24-3)11-20-16(21(15)25-4)10-19(26-20)14-8-6-13(22)9-17(14)23/h5-6,8-11,22-23H,7H2,1-4H3",DKVBYQAVNNRVNN-UHFFFAOYSA-N
BMGC_DG10258,BMG_DG150544,,O=c1c2c(c(CC=C(C)C)c(c(c2O)CC=C(C)C)O)occ1-c3ccc(cc3)O,,UCHYSPNEUSDFQR-UHFFFAOYSA-N
BMGC_DG10259,BMG_DG150545,CC(=CCC1=C(C=CC(=C1O)C2COC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)O)C,,"InChI=1S/C25H28O6/c1-13(2)5-7-16-19(26)10-9-15(23(16)29)18-12-31-25-17(8-6-14(3)4)20(27)11-21(28)22(25)24(18)30/h5-6,9-11,18,26-29H,7-8,12H2,1-4H3",FSHPJPOJLGCQOJ-UHFFFAOYSA-N
BMGC_DG10260,BMG_DG150549,CC(=CCC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)C,,"InChI=1S/C25H26O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)22-13-21(28)24-23(30-22)12-20(27)18(25(24)29)9-6-15(3)4/h5-6,8,10-13,26-27,29H,7,9H2,1-4H3",WGNIVAMNAWBYRO-UHFFFAOYSA-N
BMGC_DG10261,BMG_DG150552,CC(=CCC1=C2CCC3=CC(=C(C=C3C2=C(C(=C1O)CC=C(C)C)O)O)O)C,CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)-c3cc(O)c(O)cc3CC2,"InChI=1S/C24H28O4/c1-13(2)5-8-17-16-10-7-15-11-20(25)21(26)12-19(15)22(16)24(28)18(23(17)27)9-6-14(3)4/h5-6,11-12,25-28H,7-10H2,1-4H3",YJJXCOSDPIJFJR-UHFFFAOYSA-N
BMGC_DG10262,BMG_DG150555,,C(Cc1c(O)cc2c(c1OC)C[C@@H](CO2)c3ccc(cc3O)O)=C(C)C,,RCZMWVKBVFOCEE-ZDUSSCGKSA-N
BMGC_DG10263,BMG_DG150556,,c1(cc2c(c(c1CC=C(C)C)OC)C[C@@H](CO2)c3ccc(cc3O)O)OC,,DDMAUIOCNQXFHL-AWEZNQCLSA-N
BMGC_DG10264,BMG_DG150558,,O(C)c1c2c(cc(O)c1CC=C(C)C)OC[C@H](C2)c3c(O)c(CC=C(C)C)c(O)cc3,,GBRZTUJCDFSIHM-KRWDZBQOSA-N
BMGC_DG10265,BMG_DG150559,,c1(cc2c(cc1O)O[C@@]3([C@]2(COc4c3c(c(c(c4)O)CC=C(C)C)OC)[H])[H])CC=C(C)C,,WIEKYGJSRGBBTQ-AFMDSPMNSA-N
BMGC_DG10266,BMG_DG150561,CC(C)N1CCN(CC1)C2=CC=C(C=C2)OC[C@@H]3CO[C@@](O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl,[C@]1(c2c(cc(cc2)Cl)Cl)(Cn3ncnc3)O[C@H](COc4ccc(N5CCN(CC5)C(C)C)cc4)CO1,"InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m1/s1",BLSQLHNBWJLIBQ-ZEQKJWHPSA-N
BMGC_DG10267,BMG_DG150562,CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC,c1(c(nc(nc1OC)C)Cl)NC2=NCCN2,"InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)",WPNJAUFVNXKLIM-UHFFFAOYSA-N
BMGC_DG10268,BMG_DG150568,COC1=C(C=C(C=C1)C(=O)NCC2=CN=CC=C2)C(=O)NCC3=CN=CC=C3,n1cccc(CNC(c2cc(C(NCc3cnccc3)=O)c(cc2)OC)=O)c1,"InChI=1S/C21H20N4O3/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)",KYWCWBXGRWWINE-UHFFFAOYSA-N
BMGC_DG10269,BMG_DG150573,,Cc1ccc(cc1)NC2=CC(=O)c3c(C2=O)nc(C)s3,,HFPLHASLIOXVGS-UHFFFAOYSA-N
BMGC_DG10270,BMG_DG150578,CC1=C(C(=CC=C1)C)NC(=O)CC23CCCN2CCC3,C1CC2(CCCN2C1)CC(Nc3c(C)cccc3C)=O,"InChI=1S/C17H24N2O/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4-10-19(17)11-5-9-17/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20)",BCQTVJKBTWGHCX-UHFFFAOYSA-N
BMGC_DG10271,BMG_DG150579,,CCCC(=O)c1cc-2c(c(O)c1C)C(=O)C(=O)c3c(O)cccc32,,YJQYHFMKGAVKDP-UHFFFAOYSA-N
BMGC_DG10272,BMG_DG150581,CN1CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1,C1(c2c(cccc2)Sc3c1cccc3)=C4CCN(CC4)C,"InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3",NZLVRVYNQYGMAB-UHFFFAOYSA-N
BMGC_DG10273,BMG_DG150582,C1=CC=C2C(=C1)C(OC2=O)OC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F,c12ccccc2C(=O)OC1OC(c3c(Nc4cc(ccc4)C(F)(F)F)nccc3)=O,"InChI=1S/C21H13F3N2O4/c22-21(23,24)12-5-3-6-13(11-12)26-17-16(9-4-10-25-17)19(28)30-20-15-8-2-1-7-14(15)18(27)29-20/h1-11,20H,(H,25,26)",ANMLJLFWUCQGKZ-UHFFFAOYSA-N
BMGC_DG10274,BMG_DG150583,CC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OC,n1c([nH]c2c1cc(C3=NNC(CC3C)=O)cc2)-c4ccc(cc4)OC,"InChI=1S/C19H18N4O2/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24)",GLBJJMFZWDBELO-UHFFFAOYSA-N
BMGC_DG10275,BMG_DG150586,CC(C(C)(C)C)N=C(NC#N)NC1=CC=NC=C1,C(=NC#N)(NC(C(C)(C)C)C)Nc1ccncc1,"InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)",IVVNZDGDKPTYHK-UHFFFAOYSA-N
BMGC_DG10276,BMG_DG150589,CC(C)NCC(COC1=CC=CC2=C1C=CN2)O,CC(C)NCC(COc1cccc2c1cc[nH]2)O,"InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3",JZQKKSLKJUAGIC-UHFFFAOYSA-N
BMGC_DG10277,BMG_DG150590,CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3,N1C(SC(C1=O)Cc2ccc(OCCc3ncc(cc3)CC)cc2)=O,"InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)",HYAFETHFCAUJAY-UHFFFAOYSA-N
BMGC_DG10278,BMG_DG150593,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N,C1(N2CCCCC2)(C(=O)N)CCN(CC1)CCCC(c3ccc(cc3)F)=O,"InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)",AXKPFOAXAHJUAG-UHFFFAOYSA-N
BMGC_DG10279,BMG_DG150595,CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O,c12c(c(c(C(O)=O)cn1CC)=O)cnc(n2)N3CCNCC3,"InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)",JOHZPMXAZQZXHR-UHFFFAOYSA-N
BMGC_DG10280,BMG_DG150600,CC[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C,C1C(CCC[N+]1(CC)C)OC(=O)C(c2ccccc2)(O)c3ccccc3,"InChI=1S/C22H28NO3/c1-3-23(2)16-10-15-20(17-23)26-21(24)22(25,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,25H,3,10,15-17H2,1-2H3/q+1",WPUKUEMZZRVAKZ-UHFFFAOYSA-N
BMGC_DG10281,BMG_DG150601,CCCCCCCCCCCCCCCCOCCCOP(=O)(CO[C@@H](CN1C=CC(=NC1=O)N)CO)O,OC[C@@H](OCP(OCCCOCCCCCCCCCCCCCCCC)(=O)O)Cn1c(nc(cc1)N)=O,"InChI=1S/C27H52N3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-35-20-16-21-37-38(33,34)24-36-25(23-31)22-30-18-17-26(28)29-27(30)32/h17-18,25,31H,2-16,19-24H2,1H3,(H,33,34)(H2,28,29,32)/t25-/m0/s1",WXJFKKQWPMNTIM-VWLOTQADSA-N
BMGC_DG10282,BMG_DG150604,C1CNCCN1,N1CCNCC1,"InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2",GLUUGHFHXGJENI-UHFFFAOYSA-N
BMGC_DG10283,BMG_DG150605,C1CNCCC1S(=O)(=O)O,N1CCC(CC1)S(=O)(=O)O,"InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)",UGBJGGRINDTHIH-UHFFFAOYSA-N
BMGC_DG10284,BMG_DG150606,CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3,C(C(c1ccccc1)c2ccccc2)(OC3CN(CC)CCC3)=O,"InChI=1S/C21H25NO2/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3",KTHVBAZBLKXIHZ-UHFFFAOYSA-N
BMGC_DG10285,BMG_DG150611,C1CN(CCN1C(=O)CCBr)C(=O)CCBr,N1(C(CCBr)=O)CCN(CC1)C(CCBr)=O,InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2,NJBFOOCLYDNZJN-UHFFFAOYSA-N
BMGC_DG10286,BMG_DG150612,C1CC(=O)N(C1)CC(=O)N,N1(C(=O)CCC1)CC(=O)N,"InChI=1S/C6H10N2O2/c7-5(9)4-8-3-1-2-6(8)10/h1-4H2,(H2,7,9)",GMZVRMREEHBGGF-UHFFFAOYSA-N
BMGC_DG10287,BMG_DG150615,CC(C)(C)NCC(C1=NC(=C(C=C1)O)CO)O,n1c(c(O)ccc1C(CNC(C)(C)C)O)CO,"InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3",VQDBNKDJNJQRDG-UHFFFAOYSA-N
BMGC_DG10288,BMG_DG150618,CC1=C(C(=O)N2C=CC=CC2=N1)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F,c1ccn2c(c(c(nc2c1)C)CCN3CCC(CC3)C(c4ccc(cc4)F)=O)=O,"InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3",HXCNRYXBZNHDNE-UHFFFAOYSA-N
BMGC_DG10289,BMG_DG150619,,Oc1c2[C@]([C@]3([C@]([C@@](c4c3cc(O)cc4O)(c5ccc(O)cc5)[H])(c2cc(O)c1)[H])[H])(c6ccc(O)cc6)[H],,YNVJOQCPHWKWSO-ZBVBGGFBSA-N
BMGC_DG10290,BMG_DG150620,CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4,N1(c2c(NC(c3c1cccc3)=O)cccn2)C(=O)CN4CCN(CC4)C,"InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)",RMHMFHUVIITRHF-UHFFFAOYSA-N
BMGC_DG10291,BMG_DG150621,C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3,c1(S(=O)(=O)N)c(c(N2CCCC2)cc(c1)C(=O)O)Oc3ccccc3,"InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)",UJEWTUDSLQGTOA-UHFFFAOYSA-N
BMGC_DG10292,BMG_DG150624,C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4,c1(N2CCN(CC2)Cc3cc4OCOc4cc3)ncccn1,"InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2",OQDPVLVUJFGPGQ-UHFFFAOYSA-N
BMGC_DG10293,BMG_DG150633,CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCCC3)C(=O)O,c12c(c(c(C(O)=O)cn1CC)=O)cnc(n2)N3CCCC3,"InChI=1S/C14H16N4O3/c1-2-17-8-10(13(20)21)11(19)9-7-15-14(16-12(9)17)18-5-3-4-6-18/h7-8H,2-6H2,1H3,(H,20,21)",RCIMBBZXSXFZBV-UHFFFAOYSA-N
BMGC_DG10294,BMG_DG150637,,C(CN(C)C)(=O)Nc1cc2c3ccccc3c([nH]c2cc1)=O,,UYJZZVDLGDDTCL-UHFFFAOYSA-N
BMGC_DG10295,BMG_DG150655,CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)C(C)O,,"InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)",WQVJHHACXVLGBL-UHFFFAOYSA-N
BMGC_DG10296,BMG_DG150660,CC(C(=O)O)C(=O)O,C(C(O)=O)(C(O)=O)C,"InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)",ZIYVHBGGAOATLY-UHFFFAOYSA-N
BMGC_DG10297,BMG_DG150661,CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CSCC(F)(F)F,S1(N(C(CSCC(F)(F)F)Nc2c1cc(S(=O)(=O)N)c(Cl)c2)C)(=O)=O,"InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)",CYLWJCABXYDINA-UHFFFAOYSA-N
BMGC_DG10298,BMG_DG150663,CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC(=C(C=C4)O)O)C=CC(O2)(C)C)C,c12c(c(coc1c3C=CC(Oc3c(c2O)CC=C(C)C)(C)C)-c4cc(O)c(cc4)O)=O,"InChI=1S/C25H24O6/c1-13(2)5-7-15-21(28)20-22(29)17(14-6-8-18(26)19(27)11-14)12-30-24(20)16-9-10-25(3,4)31-23(15)16/h5-6,8-12,26-28H,7H2,1-4H3",GHCZYXUOYFOXIP-UHFFFAOYSA-N
BMGC_DG10299,BMG_DG150664,C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F)O,n1(c2c(cc(c(N3CC(C3)O)c2Cl)F)c(c(c1)C(=O)O)=O)-c4nc(N)c(cc4F)F,"InChI=1S/C18H12ClF3N4O4/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30)",DYDCPNMLZGFQTM-UHFFFAOYSA-N
BMGC_DG10300,BMG_DG150668,[Cl-].[K+],[Cl-].[K+],InChI=1S/ClH.K/h1H;/q;+1/p-1,WCUXLLCKKVVCTQ-UHFFFAOYSA-M
BMGC_DG10301,BMG_DG150672,[K+].[I-],[I-].[K+],InChI=1S/HI.K/h1H;/q;+1/p-1,NLKNQRATVPKPDG-UHFFFAOYSA-M
BMGC_DG10302,BMG_DG150676,C1=CC(=CC=C1C(=O)[O-])N,,"InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)/p-1",ALYNCZNDIQEVRV-UHFFFAOYSA-M
BMGC_DG10303,BMG_DG150680,,c12ncnc(c1c(nn2C(C)(C)C)-c3ccc(cc3)Cl)N,,PBBRWFOVCUAONR-UHFFFAOYSA-N
BMGC_DG10304,BMG_DG150681,CC1=C(C(=C(C(=N1)N=NC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)COP(=O)(O)O)C=O)O,c1(S(O)(=O)=O)cc(ccc1\N=N\c2c(COP(O)(O)=O)c(c(O)c(n2)C)C=O)S(=O)(O)=O,"InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)",PNFZSRRRZNXSMF-WUKNDPDISA-N;PNFZSRRRZNXSMF-UHFFFAOYSA-N
BMGC_DG10305,BMG_DG150683,CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O,C(Nc1ccc(OCC(CNC(C)C)O)cc1)(=O)C,"InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)",DURULFYMVIFBIR-UHFFFAOYSA-N
BMGC_DG10306,BMG_DG150685,CCCNC1CCC2=C(C1)SC(=N2)N,,"InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)",FASDKYOPVNHBLU-UHFFFAOYSA-N
BMGC_DG10307,BMG_DG150687,CCCCOC1=CC=C(C=C1)OCCCN2CCOCC2,N1(CCCOc2ccc(cc2)OCCCC)CCOCC1,"InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3",DQKXQSGTHWVTAD-UHFFFAOYSA-N
BMGC_DG10308,BMG_DG150688,C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5,c1([nH]nnn1)-c2oc3c(cccc3NC(c4ccc(cc4)OCCCCc5ccccc5)=O)c(=O)c2,"InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)",NBQKINXMPLXUET-UHFFFAOYSA-N
BMGC_DG10309,BMG_DG150690,CC(C1=CC2=C(C=C1)OC3=C(C2)C=CC=N3)C(=O)O,O1c2c(cccn2)Cc3c1ccc(C(C(=O)O)C)c3,"InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)",TVQZAMVBTVNYLA-UHFFFAOYSA-N
BMGC_DG10310,BMG_DG150698,C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4,N1(c2c(C(c3ccccc3)=NCC1=O)cc(cc2)Cl)CC4CC4,"InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2",MWQCHHACWWAQLJ-UHFFFAOYSA-N
BMGC_DG10311,BMG_DG150699,C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2,N1(C(=O)C2CCCCC2)CC3c4c(cccc4)CCN3C(C1)=O,"InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2",FSVJFNAIGNNGKK-UHFFFAOYSA-N
BMGC_DG10312,BMG_DG150701,C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3,c1(F)c([C@](O)([C@@H](C)N2CCC(=C)CC2)Cn3ncnc3)ccc(F)c1,"InChI=1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m1/s1",NFEZZTICAUWDHU-RDTXWAMCSA-N
BMGC_DG10313,BMG_DG150703,COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC,c1(nc(N)c2c(n1)cc(c(OC)c2)OC)N3CCN(C(c4occc4)=O)CC3,"InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)",IENZQIKPVFGBNW-UHFFFAOYSA-N
BMGC_DG10314,BMG_DG150708,,C[C@]12[C@@]3(C)[C@@](C=4[C@@](C(O)=O)(CC3)CCC(C)(C)C4)(CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)C(=O)CC5)[H])[H])[H],,UMYJVVZWBKIXQQ-QALSDZMNSA-N
BMGC_DG10315,BMG_DG150709,CC(C)C(=O)C(=O)O,C(C(=O)C(C)C)(=O)O,"InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)",QHKABHOOEWYVLI-UHFFFAOYSA-N
BMGC_DG10316,BMG_DG150710,,OP(O)(=O)CC=O,,YEMKIGUKNDOZEG-UHFFFAOYSA-N
BMGC_DG10317,BMG_DG150712,,c1ccc(COC(N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)B(O)O)=O)CC(C)C)=O)CC(C)C)=O)cc1,,MWKOOGAFELWOCD-FKBYEOEOSA-N
BMGC_DG10318,BMG_DG150714,C1CCN(CC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O,C(c1ccccc1)(c2ccccc2)(CCN3CCCCC3)O,"InChI=1S/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2",RQXCLMGKHJWMOA-UHFFFAOYSA-N
BMGC_DG10319,BMG_DG150715,COC1=CC=CC=C1CN[C@H]2[C@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5,,"InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m1/s1",FLNYLINBEZROPL-VSGBNLITSA-N
BMGC_DG10320,BMG_DG150717,CC[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1C)CC,C(=C1C([N+](CC)(CC)CC1)C)(c2ccccc2)c3ccccc3,"InChI=1S/C22H28N/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18H,4-5,16-17H2,1-3H3/q+1",ZYEPZINLLPPBMI-UHFFFAOYSA-N
BMGC_DG10321,BMG_DG150719,C[C@]12[C@@](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)O,,"InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m0/s1",KOZFSFOOLUUIGY-IYYJOCMQSA-N
BMGC_DG10322,BMG_DG150720,CCCNC(C)C(=O)NC1=CC=CC=C1C,C(Nc1c(C)cccc1)(=O)C(NCCC)C,"InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)",MVFGUOIZUNYYSO-UHFFFAOYSA-N
BMGC_DG10323,BMG_DG150721,CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2,c1(c2c(cc(c1)OC)cccn2)NC(CCCN)C,"InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3",INDBQLZJXZLFIT-UHFFFAOYSA-N
BMGC_DG10324,BMG_DG150722,,c1cc(cc2cc([nH]c12)C(=O)N3CCN(CC3)C)Cl,,HUQJRYMLJBBEDO-UHFFFAOYSA-N
BMGC_DG10325,BMG_DG150723,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,C1(C(NCNC1=O)=O)(c2ccccc2)CC,"InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)",DQMZLTXERSFNPB-UHFFFAOYSA-N
BMGC_DG10326,BMG_DG150725,CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(CC)CC,C(c1ccccc1)(c2ccccc2)(C(OCCN(CC)CC)=O)CCC,"InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3",SNTQPLDRUZOSDP-UHFFFAOYSA-N
BMGC_DG10327,BMG_DG150726,COC1=CC=C(C=C1)SC2=NC(=NC3=C2N=CN3CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)N,n1(CCOCP(OCC(F)(F)F)(=O)OCC(F)(F)F)c2c(c(nc(n2)N)Sc3ccc(cc3)OC)nc1,"InChI=1S/C19H20F6N5O5PS/c1-32-12-2-4-13(5-3-12)37-16-14-15(28-17(26)29-16)30(10-27-14)6-7-33-11-36(31,34-8-18(20,21)22)35-9-19(23,24)25/h2-5,10H,6-9,11H2,1H3,(H2,26,28,29)",VDBGPMJFHCJMOL-UHFFFAOYSA-N
BMGC_DG10328,BMG_DG150727,CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O,S(c1ccc(C(=O)O)cc1)(N(CCC)CCC)(=O)=O,"InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)",DBABZHXKTCFAPX-UHFFFAOYSA-N
BMGC_DG10329,BMG_DG150730,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C,c1(c(C(C)(C)C)cc(cc1C(C)(C)C)SC(Sc2cc(C(C)(C)C)c(c(c2)C(C)(C)C)O)(C)C)O,"InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3",FYPMFJGVHOHGLL-UHFFFAOYSA-N
BMGC_DG10330,BMG_DG150732,CCN(CC)CCNC(=O)C1=CC=C(C=C1)N,C(c1ccc(cc1)N)(=O)NCCN(CC)CC,"InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)",REQCZEXYDRLIBE-UHFFFAOYSA-N
BMGC_DG10331,BMG_DG150734,CCN(CC)CCOC(=O)C1=CC=C(C=C1)N,C(c1ccc(cc1)N)(=O)OCCN(CC)CC,"InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3",MFDFERRIHVXMIY-UHFFFAOYSA-N
BMGC_DG10332,BMG_DG150735,CC(C)NC(=O)C1=CC=C(C=C1)CNNC,C(NC(C)C)(c1ccc(cc1)CNNC)=O,"InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)",CPTBDICYNRMXFX-UHFFFAOYSA-N
BMGC_DG10333,BMG_DG150738,CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C,,"InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)",FKNXQNWAXFXVNW-UHFFFAOYSA-N
BMGC_DG10334,BMG_DG150739,CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl,N1(c2c(ccc(c2)Cl)Sc3c1cccc3)CCCN4CCN(CC4)C,"InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3",WIKYUJGCLQQFNW-UHFFFAOYSA-N
BMGC_DG10335,BMG_DG150742,C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O,C(CCN1CCCC1)(c2ccccc2)(C3CCCCC3)O,"InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2",WYDUSKDSKCASEF-UHFFFAOYSA-N
BMGC_DG10336,BMG_DG150743,CC1=C(SC(=N1)N(C)C(=O)CC2=CC=C(C=C2)C3=CC=CC=N3)S(=O)(=O)N,Cc1nc(N(C(Cc2ccc(-c3ncccc3)cc2)=O)C)sc1S(N)(=O)=O,"InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)",IVZKZONQVYTCKC-UHFFFAOYSA-N
BMGC_DG10337,BMG_DG150744,,n12cc(c(c3cc(cc(c13)cc2CCO)CN4CCOCC4)=O)C(=O)NCc5ccc(cc5)Cl,,IURWLZDQYCTDEM-UHFFFAOYSA-N
BMGC_DG10338,BMG_DG150746,CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CC1)CCOC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C)NC(=O)C5=CC=CC=C5,O=C(c1ccc(Cl)cc1)n2c3ccc(OC)cc3c(CC(OCCN4CCN(CCCOC(CCC(NC(=O)c5ccccc5)C(=O)N(CCC)CCC)=O)CC4)=O)c2C,"InChI=1S/C46H58ClN5O8/c1-5-21-51(22-6-2)46(57)40(48-44(55)34-11-8-7-9-12-34)18-20-42(53)59-29-10-23-49-24-26-50(27-25-49)28-30-60-43(54)32-38-33(3)52(41-19-17-37(58-4)31-39(38)41)45(56)35-13-15-36(47)16-14-35/h7-9,11-17,19,31,40H,5-6,10,18,20-30,32H2,1-4H3,(H,48,55)",PTXGHCGBYMQQIG-UHFFFAOYSA-N
BMGC_DG10339,BMG_DG150749,CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC=CC=C1,C(C(NC(=O)c1ccccc1)CCC(=O)O)(N(CCC)CCC)=O,"InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)",DGMKFQYCZXERLX-UHFFFAOYSA-N
BMGC_DG10340,BMG_DG150752,CC(C)N=C(N)N=C(N)NC1=CC=C(C=C1)Cl,C(NC(=N)NC(C)C)(Nc1ccc(cc1)Cl)=N,"InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)",SSOLNOMRVKKSON-UHFFFAOYSA-N
BMGC_DG10341,BMG_DG150753,C1=C(N=C(C(=O)N1)C(=O)N)F,Fc1nc(C(N)=O)c(=O)[nH]c1,"InChI=1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)",ZCGNOVWYSGBHAU-UHFFFAOYSA-N
BMGC_DG10342,BMG_DG150754,,n1(cc(c(c2cc(ccc12)CN3CCOCC3)=O)C(=O)NCc4ccc(cc4)Cl)C,,SXLQSQMKOYVAAW-UHFFFAOYSA-N
BMGC_DG10343,BMG_DG150755,CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31,N1(c2c(cccc2)Sc3c1cccc3)CCCN(C)C,"InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3",ZGUGWUXLJSTTMA-UHFFFAOYSA-N
BMGC_DG10344,BMG_DG150756,CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C,N1(c2c(cccc2)Sc3c1cccc3)CC(N(C)C)C,"InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3",PWWVAXIEGOYWEE-UHFFFAOYSA-N
BMGC_DG10345,BMG_DG150760,,c1(cc2ccccc2cc1)C(CNC(C)C)O,,HRSANNODOVBCST-UHFFFAOYSA-N
BMGC_DG10346,BMG_DG150764,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O,c1(C(=O)CCc2ccccc2)c(OCC(O)CNCCC)cccc1,"InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3",JWHAUXFOSRPERK-UHFFFAOYSA-N
BMGC_DG10347,BMG_DG150766,CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C,C1(c2c(cccc2)Oc3c1cccc3)C(=O)OCC[N+](C(C)C)(C(C)C)C,"InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1",VVWYOYDLCMFIEM-UHFFFAOYSA-N
BMGC_DG10348,BMG_DG150770,CCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)N,C(c1cc(N)c(cc1)OCCC)(=O)OCCN(CC)CC,"InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3",KCLANYCVBBTKTO-UHFFFAOYSA-N
BMGC_DG10349,BMG_DG150773,CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,c12-c(nc3c(n1C[C@@H]([C@@H]([C@H](O)CO)O)O)cc(c(C)c3)C)c(=O)[nH]c(n2)=O,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",AUNGANRZJHBGPY-SCRDCRAPSA-N
BMGC_DG10350,BMG_DG150778,CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C,c12c(c(=O)n(c(n1C)=O)CCCCC(=O)C)n(CCC)cn2,"InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3",RBQOQRRFDPXAGN-UHFFFAOYSA-N
BMGC_DG10351,BMG_DG150779,CN1CCN(CC1)C2=NC3=C(CC4=CC=CC=C42)C=CC(=C3)F,CN1CCN(CC1)C2=Nc3cc(ccc3Cc4ccccc42)F,"InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3",OBWGMKKHCLHVIE-UHFFFAOYSA-N
BMGC_DG10352,BMG_DG150780,CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl,N(c1c(cccc1C)C)(Cn2cccn2)C(CCl)=O,"InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3",STEPQTYSZVCJPV-UHFFFAOYSA-N
BMGC_DG10353,BMG_DG150781,CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N,[n+]1(c(c2c(ccc(c2)N)c3c1cc(N)cc3)-c4ccccc4)CCC[N+](CC)(CC)C,"InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1",ZDWVWKDAWBGPDN-UHFFFAOYSA-O
BMGC_DG10354,BMG_DG150789,CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CC(C)N(C)C,N1(c2c(ccc(c2)C(=O)CC)Sc3c1cccc3)CC(N(C)C)C,"InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3",UVOIBTBFPOZKGP-UHFFFAOYSA-N
BMGC_DG10355,BMG_DG150807,,n1nc2cc(Br)cnc2[nH]1,,YKWWQNVTTSHHGH-UHFFFAOYSA-N
BMGC_DG10356,BMG_DG150808,CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CCN(CC3)C,c1(ccccc1)C(C(=O)OC2CCN(CC2)C)(OCCC)c3ccccc3,"InChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,1-2H3",QPCVHQBVMYCJOM-UHFFFAOYSA-N
BMGC_DG10357,BMG_DG150828,CC(C)C1=C(C(=CC=C1)C(C)C)O,c1(c(C(C)C)cccc1C(C)C)O,"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3",OLBCVFGFOZPWHH-UHFFFAOYSA-N
BMGC_DG10358,BMG_DG150830,CC(C)OC1=CC=CC=C1OC(=O)NC,C(Oc1c(OC(C)C)cccc1)(=O)NC,"InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)",ISRUGXGCCGIOQO-UHFFFAOYSA-N
BMGC_DG10359,BMG_DG150833,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O,c12c(OCC(CNC(C)C)O)cccc1cccc2,"InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3",AQHHHDLHHXJYJD-UHFFFAOYSA-N
BMGC_DG10360,BMG_DG150834,CCCOC(=O)C1=CC(=C(C(=C1)O)O)O,c1(c(cc(cc1O)C(=O)OCCC)O)O,"InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3",ZTHYODDOHIVTJV-UHFFFAOYSA-N
BMGC_DG10361,BMG_DG150835,CCCOC(=O)CN1C=C(C(=O)C(=C1)I)I,c1(c(c(I)cn(c1)CC(=O)OCCC)=O)I,"InChI=1S/C10H11I2NO3/c1-2-3-16-9(14)6-13-4-7(11)10(15)8(12)5-13/h4-5H,2-3,6H2,1H3",ROSXARVHJNYYDO-UHFFFAOYSA-N
BMGC_DG10362,BMG_DG150848,C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)O)C8=CC=C(C=C8)S(=O)(=O)O)C9=CC=C(C=C9)S(=O)(=O)O)N3)S(=O)(=O)O,,"InChI=1S/C44H30N4O12S4/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57/h1-24,45-46H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)",YAVMDSYMZGJNES-UHFFFAOYSA-N
BMGC_DG10363,BMG_DG150857,,c1(ccc(O)cc1)C(CBr)=O,,LJYOFQHKEWTQRH-UHFFFAOYSA-N
BMGC_DG10364,BMG_DG150858,,C(c1ccc(cc1)OC)(=O)CBr,,XQJAHBHCLXUGEP-UHFFFAOYSA-N
BMGC_DG10365,BMG_DG150864,,c12c(OCO1)ccc(c2)CC(NCC(c3cc(O)c(cc3)O)O)C,,LUMAEVHDZXIGEP-UHFFFAOYSA-N
BMGC_DG10366,BMG_DG150867,CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C,c12nc(C(C)=C1C=C)cc3[nH]c(cc4nc(C(=C4C)CCC(O)=O)cc5[nH]c(c2)c(C)c5CCC(=O)O)c(c3C=C)C,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)",KSFOVUSSGSKXFI-UJJXFSCMSA-N;ZCFFYALKHPIRKJ-UHFFFAOYSA-N
BMGC_DG10367,BMG_DG150871,CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C(=C3CCC(=O)O)C)CCC(=O)O.[Fe+2],,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2",KABFMIBPWCXCRK-UHFFFAOYSA-L
BMGC_DG10368,BMG_DG150875,,C(CN(C)C)c1c2cc(OC)ccc2[nH]c1C,,ACEHBQPPDDGCGZ-UHFFFAOYSA-N
BMGC_DG10369,BMG_DG150878,CNCCCC1C2=CC=CC=C2C=CC3=CC=CC=C13,C1(c2c(C=Cc3c1cccc3)cccc2)CCCNC,"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3",BWPIARFWQZKAIA-UHFFFAOYSA-N
BMGC_DG10370,BMG_DG150881,C1[C@H]2[C@@H]1C3=C(C2)C(=NN3)C(=O)O,OC(c1n[nH]c2[C@]3([H])C[C@]3([H])Cc21)=O,"InChI=1S/C8H8N2O2/c11-8(12)7-5-2-3-1-4(3)6(5)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1",CUTZNERBKDMLAP-QWWZWVQMSA-N
BMGC_DG10371,BMG_DG150885,CC(C)C1=C(C(=NN1)Cl)C2=NC(=NC=C2)NC3=NC=C(C=C3)N4CCC(CC4)N(C)C,,"InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)",JKFGTURSEBTJIZ-UHFFFAOYSA-N
BMGC_DG10372,BMG_DG150896,CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O,c1(=O)n(C)c(=O)c2n(CC(C)O)cnc2n1C,"InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3",KYHQZNGJUGFTGR-UHFFFAOYSA-N
BMGC_DG10373,BMG_DG150899,CN1CC2CCC(C1)N2C(=O)[C@]34C[C@H]3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8,,"InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24?,25?,30-,36-/m0/s1",ZTTKEBYSXUCBSE-VSBZUFFNSA-N
BMGC_DG10374,BMG_DG150901,,N1(CCOCC1)CC(=O)N(C)c2c(cccc2)-c3cnc(o3)Nc4cc(c(cc4)-c5cnco5)OC,,GLOULEOFVQQCTE-UHFFFAOYSA-N
BMGC_DG10375,BMG_DG150903,,O=C(c1nn(-c2ccc(Cl)cc2Cl)c(-c3ccc(C#Cc4ccc(C(F)(F)F)cc4)s3)c1CC)NN5CCCCC5,,VQOCBFYUDSBDCZ-UHFFFAOYSA-N
BMGC_DG10376,BMG_DG150906,,C(CCCCC)C1(CCC1)c2cc3c(c(c2)O)[C@]4([C@](C(O3)(C)C)(CC[C@H](C4)O)[H])[H],,CSXKNESDVLECTJ-VAMGGRTRSA-N
BMGC_DG10377,BMG_DG150907,C[C@@H]1CN(C[C@@H](O1)C)CC2=CN=C(O2)C3=C4C=NNC4=CC(=C3)C5=CC(=C(N=C5)OC)NS(=O)(=O)C,S(=O)(=O)(Nc1cc(-c2cc(-c3oc(CN4C[C@@H](O[C@@H](C4)C)C)cn3)c5c([nH]nc5)c2)cnc1OC)C,"InChI=1S/C24H28N6O5S/c1-14-11-30(12-15(2)34-14)13-18-9-26-23(35-18)19-5-16(6-21-20(19)10-27-28-21)17-7-22(29-36(4,31)32)24(33-3)25-8-17/h5-10,14-15,29H,11-13H2,1-4H3,(H,27,28)/t14-,15+",NLUPPCTVKHDVIQ-GASCZTMLSA-N
BMGC_DG10378,BMG_DG150909,CC(C)N1CCN(CC1)CC2=CN=C(O2)C3=C4C=NNC4=CC(=C3)C5=C6C=CNC6=CC=C5,[nH]1ncc2c(cc(cc12)-c3c4cc[nH]c4ccc3)-c5oc(cn5)CN6CCN(CC6)C(C)C,"InChI=1S/C26H28N6O/c1-17(2)32-10-8-31(9-11-32)16-19-14-28-26(33-19)22-12-18(13-25-23(22)15-29-30-25)20-4-3-5-24-21(20)6-7-27-24/h3-7,12-15,17,27H,8-11,16H2,1-2H3,(H,29,30)",MCIDWGZGWVSZMK-UHFFFAOYSA-N
BMGC_DG10379,BMG_DG150913,CS(=O)(=O)N1CCC2=C(N=C(N=C21)N3CCOCC3)C4=CN=C(N=C4)N,c1(ncc(cn1)-c2c3c(nc(n2)N4CCOCC4)N(CC3)S(=O)(=O)C)N,"InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18)",JEGHXKRHKHPBJD-UHFFFAOYSA-N
BMGC_DG10380,BMG_DG150929,,[C@H]([C@H](O)C)(C(N[C@H](C(NNC(N[C@H](C(N[C@H](C(N[C@H](C(=O)N)Cc1c[nH]c2ccccc21)=O)CCCNC(NC)=N)=O)CC(C)C)=O)=O)Cc3ccccc3)=O)NC([C@@H](NC([C@H](NC([C@H](NC(=O)C)Cc4ccc(O)cc4)=O)Cc5c[nH]c6ccccc65)=O)CC(=O)N)=O,,BDPDXFSIFWZPCE-PHOVXGMNSA-N
BMGC_DG10381,BMG_DG150933,CC(C)(C1=CN(C(=N1)C(C)(C)C2=C(C=CC=C2Cl)Cl)C3=C(C=C(C=C3)C4=CC(=C(C(=C4)S(=O)(=O)C)CO)F)F)O,CC(c1cn(-c2ccc(-c3cc(S(=O)(=O)C)c(CO)c(F)c3)cc2F)c(C(c4c(Cl)cccc4Cl)(C)C)n1)(O)C,"InChI=1S/C29H28Cl2F2N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3",HNAJDMYOTDNOBK-UHFFFAOYSA-N
BMGC_DG10382,BMG_DG150976,CC1=NOC(=C1NC(=O)O[C@H](C)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5(CC5)C(=O)O,c1cc(ccc1C2(CC2)C(=O)O)-c3ccc(cc3)-c4onc(c4NC(O[C@@H](c5ccccc5)C)=O)C,"InChI=1S/C29H26N2O5/c1-18-25(30-28(34)35-19(2)20-6-4-3-5-7-20)26(36-31-18)23-10-8-21(9-11-23)22-12-14-24(15-13-22)29(16-17-29)27(32)33/h3-15,19H,16-17H2,1-2H3,(H,30,34)(H,32,33)/t19-/m1/s1",GQBRZBHEPUQRPL-LJQANCHMSA-N
BMGC_DG10383,BMG_DG150977,CN1CCN(CC1)C2=CC(=C(C=C2)OC(F)(F)F)NC3=NC=C4CCC5=C(C4=N3)N(N=C5C(=O)N)CCO,c1c(cc(Nc2nc-3c(cn2)CCc4c(nn(CCO)c34)C(N)=O)c(OC(F)(F)F)c1)N5CCN(CC5)C,"InChI=1S/C24H27F3N8O3/c1-33-6-8-34(9-7-33)15-3-5-18(38-24(25,26)27)17(12-15)30-23-29-13-14-2-4-16-20(22(28)37)32-35(10-11-36)21(16)19(14)31-23/h3,5,12-13,36H,2,4,6-11H2,1H3,(H2,28,37)(H,29,30,31)",QHLVBNKYJGBCQJ-UHFFFAOYSA-N
BMGC_DG10384,BMG_DG150987,CN(C)CCC1=CNC2=C1C(=CC=C2)O,[nH]1cc(CCN(C)C)c2c1cccc2O,"InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3",SPCIYGNTAMCTRO-UHFFFAOYSA-N
BMGC_DG10385,BMG_DG150990,CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)[C@@H](C)O.OS(=O)(=O)O,,"InChI=1S/C56H98N16O13.H2O4S/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79;1-5(2,3)4/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80);(H2,1,2,3,4)/t32?,33-,34-,36+,37+,38-,39+,40+,41+,42+,43-,45+,46+;/m1./s1",HFMDLUQUEXNBOP-OLYKAHIFSA-N
BMGC_DG10386,BMG_DG150991,CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)[C@@H](C)O,,"InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)/t32?,33-,34-,36+,37+,38-,39+,40+,41+,42+,43-,45+,46+/m1/s1",WQVJHHACXVLGBL-BPJDFBQWSA-N
BMGC_DG10387,BMG_DG151009,CN(C)CCN(C)[C@@H]1CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=CC=C4OC1)C5CCCCC5,c1cc(cc2n3C[C@H](COc4c(-c3c(c12)C5CCCCC5)cccc4)N(C)CCN(C)C)C(O)=O,"InChI=1S/C29H37N3O3/c1-30(2)15-16-31(3)22-18-32-25-17-21(29(33)34)13-14-23(25)27(20-9-5-4-6-10-20)28(32)24-11-7-8-12-26(24)35-19-22/h7-8,11-14,17,20,22H,4-6,9-10,15-16,18-19H2,1-3H3,(H,33,34)/t22-/m1/s1",YQUCBFIQSJVCOR-JOCHJYFZSA-N
BMGC_DG10388,BMG_DG151011,COC1=CC=C(C=C1)C2=NN=C(O2)C(=O)N3CC(C3)OC4=CC=C(C=C4)CN5CC6(C5)COC6,C(=O)(N1CC(C1)Oc2ccc(cc2)CN3CC4(C3)COC4)c5oc(nn5)-c6ccc(cc6)OC,"InChI=1S/C25H26N4O5/c1-31-19-8-4-18(5-9-19)22-26-27-23(34-22)24(30)29-11-21(12-29)33-20-6-2-17(3-7-20)10-28-13-25(14-28)15-32-16-25/h2-9,21H,10-16H2,1H3",BKKPIQPFRAPEAY-UHFFFAOYSA-N
BMGC_DG10389,BMG_DG151015,C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCCC[C@@H]1CCSS1,S1[C@H](CCCCC(N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(O)=O)=O)CCS1,"InChI=1S/C16H26N2O6S2/c1-10(16(23)24)17-15(22)12(6-7-14(20)21)18-13(19)5-3-2-4-11-8-9-25-26-11/h10-12H,2-9H2,1H3,(H,17,22)(H,18,19)(H,20,21)(H,23,24)/t10-,11+,12-/m0/s1",MQXRTCVZPIHBLD-TUAOUCFPSA-N
BMGC_DG10390,BMG_DG151019,CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC)NC5CCOCC5,c1(c(nc(c(n1)CC)NC2CCOCC2)Nc3cc(c(cc3)N4CCC(CC4)N5CCN(CC5)C)OC)C(=O)N,"InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)",GYQYAJJFPNQOOW-UHFFFAOYSA-N
BMGC_DG10391,BMG_DG151021,COC1=C(C=CC(=C1)C2CN(C2)C(=O)C3=NC=CC(=C3)COC[C@H](CO)O)OCC4=CC=C(C=C4)C5CC5,,"InChI=1S/C30H34N2O6/c1-36-29-13-24(8-9-28(29)38-18-20-2-4-22(5-3-20)23-6-7-23)25-14-32(15-25)30(35)27-12-21(10-11-31-27)17-37-19-26(34)16-33/h2-5,8-13,23,25-26,33-34H,6-7,14-19H2,1H3/t26-/m0/s1",LTTJGQBDGMNWHJ-SANMLTNESA-N
BMGC_DG10392,BMG_DG151023,CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C,[nH]1c2C(c3c(C(c2c4ccc(cc41)C#N)=O)cc(c(c3)N5CCC(CC5)N6CCOCC6)CC)(C)C,"InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3",KDGFLJKFZUIJMX-UHFFFAOYSA-N
BMGC_DG10393,BMG_DG151043,,O(c1cc(C(NC)=O)ncc1)c2ccc(NC(Nc3cc(C(F)(F)F)ccc3)=O)cc2,,WFTZMAAMCVPJJT-UHFFFAOYSA-N
BMGC_DG10394,BMG_DG151048,C1CC1C(=O)NC2=NN3C(=N2)C=CC=C3C4=CC=C(C=C4)CN5CCS(=O)(=O)CC5,C1(CC1)C(=O)Nc2nn3c(cccc3n2)-c4ccc(cc4)CN5CCS(CC5)(=O)=O,"InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)",RIJLVEAXPNLDTC-UHFFFAOYSA-N
BMGC_DG10395,BMG_DG151049,CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl,C(CCCCCCCCCCC)(=O)OCN1C(CCc2ccc(cc12)OCCCCN3CCN(CC3)c4c(c(ccc4)Cl)Cl)=O,"InChI=1S/C36H51Cl2N3O4/c1-2-3-4-5-6-7-8-9-10-16-35(43)45-28-41-33-27-30(19-17-29(33)18-20-34(41)42)44-26-12-11-21-39-22-24-40(25-23-39)32-15-13-14-31(37)36(32)38/h13-15,17,19,27H,2-12,16,18,20-26,28H2,1H3",DDINXHAORAAYAD-UHFFFAOYSA-N
BMGC_DG10396,BMG_DG151063,CC[C@@H](C(=O)N1C[C@H](C[C@H]1CC2=C(NC3=C2C=CC(=C3)F)C4=C(C5=C(N4)C=C(C=C5)F)C[C@@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC)O)O)NC(=O)[C@H](C)NC,C(c1c([nH]c2c1ccc(c2)F)-c3c(C[C@H]4N(C([C@@H](NC([C@@H](NC)C)=O)CC)=O)C[C@H](C4)O)c5c([nH]3)cc(cc5)F)[C@H]6N(C([C@@H](NC([C@@H](NC)C)=O)CC)=O)C[C@H](C6)O,"InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1",PKWRMUKBEYJEIX-DXXQBUJASA-N
BMGC_DG10397,BMG_DG151064,,FC(F)(F)c1c(N2CCN(CC2)C(=O)CC)ccc(-n3c4c5c(ncc4ccc3=O)ccc(c5)-c6cc7c(nc6)cccc7)c1,,AKCRNFFTGXBONI-UHFFFAOYSA-N
BMGC_DG10398,BMG_DG151066,CC1=CC(=C2C(=C1)[C@H](CCCN2CC3CCC(CC3)C(=O)O)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NN(N=N5)C)C,OC([C@H]1CC[C@H](CN2c3c(C)cc(C)cc3[C@@H](N(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c5nn(C)nn5)CCC2)CC1)=O,"InChI=1S/C31H36F6N6O2/c1-18-11-19(2)27-25(12-18)26(5-4-10-42(27)16-20-6-8-22(9-7-20)28(44)45)43(29-38-40-41(3)39-29)17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h11-15,20,22,26H,4-10,16-17H2,1-3H3,(H,44,45)/t20?,22?,26-/m0/s1",IHIUGIVXARLYHP-UXNJHFGPSA-N;IHIUGIVXARLYHP-YBXDKENTSA-N
BMGC_DG10399,BMG_DG151068,C1[C@]2(C3=CC=CC=C3N(C2=O)CC4=CC=C(O4)C(F)(F)F)C5=CC6=C(C=C5O1)OCO6,O=C1N(Cc2ccc(C(F)(F)F)o2)c3ccccc3[C@]14COc5cc6OCOc6cc54,"InChI=1S/C22H14F3NO5/c23-22(24,25)19-6-5-12(31-19)9-26-15-4-2-1-3-13(15)21(20(26)27)10-28-16-8-18-17(7-14(16)21)29-11-30-18/h1-8H,9-11H2/t21-/m0/s1",NEBUOXBYNAHKFV-NRFANRHFSA-N
BMGC_DG10400,BMG_DG151069,,n1c(n(c(c2CCCCc12)=O)N)CCCCN3CCN(CC3)c4nc5ccc(cc5cc4)O,,QCJPMOOSRAYGGE-UHFFFAOYSA-N
BMGC_DG10401,BMG_DG151071,,n1c(n(c(c2CCCCc12)=O)N)CCCCN3CCN(CC3)c4nc5ccccc5cc4O,,DQFJTXJCMDYWKL-UHFFFAOYSA-N
BMGC_DG10402,BMG_DG151072,C1CCC(CC1)[C@@H](C(=O)NC2=C(C=C(C=C2)C(=O)O)F)N3C4=CC(=C(C=C4N=C3C5=CC=C(C=C5)Cl)F)F,,"InChI=1S/C28H23ClF3N3O3/c29-18-9-6-16(7-10-18)26-33-23-13-19(30)20(31)14-24(23)35(26)25(15-4-2-1-3-5-15)27(36)34-22-11-8-17(28(37)38)12-21(22)32/h6-15,25H,1-5H2,(H,34,36)(H,37,38)/t25-/m0/s1",DGVNGMXASUNRAO-VWLOTQADSA-N
BMGC_DG10403,BMG_DG151074,C1[C@H]2CSC(=N[C@]2(CO1)C3=C(C=CC(=C3)NC(=O)C4=NC=C(C=C4)F)F)N,[H][C@@]12CSC(N)=N[C@@]2(c3c(F)ccc(NC(c4ncc(F)cc4)=O)c3)COC1,"InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1",NIDRNVHMMDAAIK-YPMLDQLKSA-N
BMGC_DG10404,BMG_DG151086,CC1=C(C(=CC=C1)F)C(=O)N2CCC[C@@H]([C@@H]2C3=CC=C(C=C3)NC4CCCC4)C(=O)NC5=CC(=C(C=C5)C)C(F)(F)F,c1ccc(F)c(C(=O)N2[C@@H](c3ccc(NC4CCCC4)cc3)[C@@H](C(=O)Nc5cc(C(F)(F)F)c(C)cc5)CCC2)c1C,"InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1",PUKBOVABABRILL-YZNIXAGQSA-N
BMGC_DG10405,BMG_DG151089,C1CN(CC2=C1N(C3=C2C=C(C=C3)F)CC(=O)O)C(=O)C4=CC=CC5=CC=CC=C54,Fc1cc2c3CN(CCc3n(c2cc1)CC(=O)O)C(=O)c4c5c(ccc4)cccc5,"InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)",IHAXLPDVOWLUOS-UHFFFAOYSA-N
BMGC_DG10406,BMG_DG151090,CCCCCCO[C@@H](C)C1=CC=CC(=C1OC)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)Cl)/C=C(\C)/C(=O)O)Cl,c1c(cc(c(c1Cl)/C=C(/C(=O)O)\C)Cl)C(=O)Nc2scc(n2)-c3c(c(ccc3)[C@@H](OCCCCCC)C)OC,"InChI=1S/C29H32Cl2N2O5S/c1-5-6-7-8-12-38-18(3)20-10-9-11-21(26(20)37-4)25-16-39-29(32-25)33-27(34)19-14-23(30)22(24(31)15-19)13-17(2)28(35)36/h9-11,13-16,18H,5-8,12H2,1-4H3,(H,35,36)(H,32,33,34)/b17-13+/t18-/m0/s1",NOZIJMHMKORZBA-KJCUYJGMSA-N
BMGC_DG10407,BMG_DG151091,,N1(Cc2cc(F)cc(c2C1=O)C(=O)N)C3CCN(C4CCC(F)(F)CC4)CC3,,ARYVAQSYRLZVQD-UHFFFAOYSA-N
BMGC_DG10408,BMG_DG151101,CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C,C(c1c(cc(cc1)N2CCN(CC2)CC3=C(CC(CC3)(C)C)c4ccc(cc4)Cl)Oc5cc6c(nc5)[nH]cc6)(=O)NS(=O)(=O)c7cc(c(cc7)NCC8CCOCC8)[N+](=O)[O-],"InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)",LQBVNQSMGBZMKD-UHFFFAOYSA-N
BMGC_DG10409,BMG_DG151106,CN1C(=CC=N1)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)N(C)C(=O)C5=C(C=C(C=C5)F)C(F)(F)F,C(c1c(cc(cc1)F)C(F)(F)F)(=O)N(C2CCN(CC2)c3nnc(c4ccccc34)-c5ccnn5C)C,"InChI=1S/C26H24F4N6O/c1-34(25(37)20-8-7-16(27)15-21(20)26(28,29)30)17-10-13-36(14-11-17)24-19-6-4-3-5-18(19)23(32-33-24)22-9-12-31-35(22)2/h3-9,12,15,17H,10-11,13-14H2,1-2H3",SZBGQDXLNMELTB-UHFFFAOYSA-N
BMGC_DG10410,BMG_DG151108,,Oc1c(C(=O)NCC(=O)O)ncc(-c2cccc(F)c2)c1,,PXWOWORYDKAEJO-UHFFFAOYSA-N
BMGC_DG10411,BMG_DG151125,,CN1CCc2c(c3ccccc3n2Cc4ccc(cc4)C(=O)NO)C1,,GOVYBPLHWIEHEJ-UHFFFAOYSA-N
BMGC_DG10412,BMG_DG151130,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)[O-])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)[O-])O)O)NS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-])NS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],,"InChI=1S/C31H53N3O49S8.10Na/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56;;;;;;;;;;/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;;;;;;;/q;10*+1/p-8/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-;;;;;;;;;;/m1........../s1",XEKSTYNIJLDDAZ-JASSWCPGSA-F
BMGC_DG10413,BMG_DG151167,CCCCC1=NC2=C(N1CCN(CC)CC)C=CC(=C2)/C=C/C(=O)NO,C(/C=C/c1cc2nc(n(c2cc1)CCN(CC)CC)CCCC)(=O)NO,"InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+",JHDKZFFAIZKUCU-ZRDIBKRKSA-N
BMGC_DG10414,BMG_DG151172,CC1(C2=NC(=C(N2CCN1C(=O)CN)NC3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C,CC1(C)N(C(CN)=O)CCn2c(c(-c3ccc(F)cc3)nc21)Nc4ccc(F)cc4,"InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3",BUPRVECGWBHCQV-UHFFFAOYSA-N
BMGC_DG10415,BMG_DG151173,,[C@@H]1([C@@H](N(c2ncnc3[nH]ccc23)C)CN(CC1)C(=O)CO)C,,CCOHWQFOFWCBMH-PWSUYJOCSA-N
BMGC_DG10416,BMG_DG151176,,n1cnc2c(c1N(C)[C@H]3CN(CC[C@H]3C)Cc4ccccc4)cc[nH]2,,UMWNXPTXDOVDFE-QAPCUYQASA-N
BMGC_DG10417,BMG_DG151180,C1[C@@H]2[C@@H](C2NCC3=NC4=C(C=C3)C=C(C=C4)F)CN1C5=NC=C(C=N5)C(=O)NO,c1(cc2c(cc1)nc(cc2)CN[C@@H]3[C@@]4([C@]3(CN(C4)c5ncc(cn5)C(NO)=O)[H])[H])F,"InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18?",QRGHOAATPOLDPF-VQFNDLOPSA-N;QRGHOAATPOLDPF-BYICEURKSA-N
BMGC_DG10418,BMG_DG151239,,N#Cc1cccc(-c2cccc(C(F)(F)F)c2)n1,,FYQRYAIHFASLNM-UHFFFAOYSA-N
BMGC_DG10419,BMG_DG151250,,,,
BMGC_DG10420,BMG_DG151255,,,,
BMGC_DG10421,BMG_DG151265,,,,
BMGC_DG10422,BMG_DG151271,,,,
BMGC_DG10423,BMG_DG151276,,,,
BMGC_DG10424,BMG_DG151277,,,,
BMGC_DG10425,BMG_DG151280,,,,
BMGC_DG10426,BMG_DG151281,,,,
BMGC_DG10427,BMG_DG151286,,,,
BMGC_DG10428,BMG_DG151288,,,,
BMGC_DG10429,BMG_DG151289,,,,
BMGC_DG10430,BMG_DG151299,,,,
BMGC_DG10431,BMG_DG151308,,c12nc(cc(n1ncc2C(C)C)NCc3ccccc3)NCCCCCCN,,DNYBIOICMDTDAP-UHFFFAOYSA-N
BMGC_DG10432,BMG_DG151309,CC(C)(C(=O)NCC(C(F)(F)F)(F)F)C(=O)N[C@H]1C2=CC=CC=C2C3=CC=CC=C3NC1=O,[C@@H]1(NC(C(C)(C)C(NCC(C(F)(F)F)(F)F)=O)=O)C(Nc2c(-c3c1cccc3)cccc2)=O,"InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1",OJPLJFIFUQPSJR-INIZCTEOSA-N
BMGC_DG10433,BMG_DG151310,B1(OC(=O)CC(O1)(CC(=O)O)C(=O)O)[C@H](CC(C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)Cl,C(C(=O)O)C1(OB(OC(C1)=O)[C@@H](NC(=O)CNC(=O)c2c(ccc(c2)Cl)Cl)CC(C)C)C(=O)O,"InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-17(29)8-20(34-21,19(31)32)7-16(27)28)25-15(26)9-24-18(30)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,30)(H,25,26)(H,27,28)(H,31,32)/t14-,20?/m0/s1",YTXSYWAKVMZICI-PVCZSOGJSA-N
BMGC_DG10434,BMG_DG151312,CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N(C(C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,,"InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50?,51+,52-/m1/s1",PMATZTZNYRCHOR-VPYFBNRVSA-N
BMGC_DG10435,BMG_DG151316,CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+2/p-1",AGVAZMGAQJOSFJ-UHFFFAOYSA-M
BMGC_DG10436,BMG_DG151332,CCO[C@@H]1CC2=C([C@H]1N3CCN(C[C@@H]3C)C4(CCN(CC4)C(=O)C5=C(N=CN=C5C)C)C)C=CC(=C2)C(F)(F)F,C1CC(N2CCN([C@@H]3c4ccc(C(F)(F)F)cc4C[C@H]3OCC)[C@@H](C)C2)(C)CCN1C(=O)c5c(ncnc5C)C,"InChI=1S/C30H40F3N5O2/c1-6-40-25-16-22-15-23(30(31,32)33)7-8-24(22)27(25)38-14-13-37(17-19(38)2)29(5)9-11-36(12-10-29)28(39)26-20(3)34-18-35-21(26)4/h7-8,15,18-19,25,27H,6,9-14,16-17H2,1-5H3/t19-,25+,27+/m0/s1",ZMCJFJZOSKEMOM-DNKZPPIMSA-N
BMGC_DG10437,BMG_DG151333,,C(C1(C(F)(F)F)CC1)c2[nH]c(C[C@](C(F)(F)F)(O)c3ccc(cc3)-n4cccn4)nc2,,UJINBEQCDMOAHM-SFHVURJKSA-N
BMGC_DG10438,BMG_DG151335,CC1=C(C=NC=C1)N2CCN(C2=O)C3=CC(=NC=C3)Cl,C1(N(CCN1c2cc(ncc2)Cl)c3cnccc3C)=O,"InChI=1S/C14H13ClN4O/c1-10-2-4-16-9-12(10)19-7-6-18(14(19)20)11-3-5-17-13(15)8-11/h2-5,8-9H,6-7H2,1H3",ZVIFCOOHWGNPHJ-UHFFFAOYSA-N
BMGC_DG10439,BMG_DG151341,C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5,c1(ccccc1)C(CC(N2CCN(CC2)C(c3ccccc3)c4ccccc4)=O)c5ccccc5,"InChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2",VCPMZDWBEWTGNW-UHFFFAOYSA-N
BMGC_DG10440,BMG_DG151349,CNC(=O)OCC1=NC(=CC=C1)COC(=O)NC,C(=O)(OCc1nc(COC(=O)NC)ccc1)NC,"InChI=1S/C11H15N3O4/c1-12-10(15)17-6-8-4-3-5-9(14-8)7-18-11(16)13-2/h3-5H,6-7H2,1-2H3,(H,12,15)(H,13,16)",YEKQSSHBERGOJK-UHFFFAOYSA-N
BMGC_DG10441,BMG_DG151350,C1=CC=C(C=C1)NC(=O)C2C(=O)NC(=S)NC2=O,C1(NC(=S)NC(C1C(Nc2ccccc2)=O)=O)=O,"InChI=1S/C11H9N3O3S/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5,7H,(H,12,15)(H2,13,14,16,17,18)",JARCFMKMOFFIGZ-UHFFFAOYSA-N
BMGC_DG10442,BMG_DG151351,C[N+]1=CC=CC(=C1)OC(=O)N(C)C,C(Oc1c[n+](C)ccc1)(N(C)C)=O,"InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1",RVOLLAQWKVFTGE-UHFFFAOYSA-N
BMGC_DG10443,BMG_DG151352,CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2,N(c1ncccc1)(Cc2ccc(cc2)OC)CCN(C)C,"InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3",YECBIJXISLIIDS-UHFFFAOYSA-N
BMGC_DG10444,BMG_DG151354,C1=CC2=C(C=C1Cl)C3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl,c12c3c(ccc(c3)Cl)oc1c(c(Cl)c(c2Cl)Cl)Cl,InChI=1S/C12H3Cl5O/c13-4-1-2-6-5(3-4)7-8(14)9(15)10(16)11(17)12(7)18-6/h1-3H,ZCTNDJSCLPJCRA-UHFFFAOYSA-N
BMGC_DG10445,BMG_DG151357,CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl,n1c(c(-c2ccc(cc2)Cl)c(nc1N)CC)N,"InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)",WKSAUQYGYAYLPV-UHFFFAOYSA-N
BMGC_DG10446,BMG_DG151358,C1=C2C3=C(C(=CC(=C3Cl)Cl)Cl)OC2=C(C(=C1Cl)Cl)Cl,c12c(Cl)c(Cl)cc(Cl)c1oc3c(Cl)c(Cl)c(Cl)cc32,InChI=1S/C12H2Cl6O/c13-4-1-3-7-8(16)5(14)2-6(15)12(7)19-11(3)10(18)9(4)17/h1-2H,CKDDYGBBKXIHRY-UHFFFAOYSA-N
BMGC_DG10447,BMG_DG151361,CCC1(C(=O)C=CNC1=O)CC,C1(C(NC=CC1=O)=O)(CC)CC,"InChI=1S/C9H13NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h5-6H,3-4H2,1-2H3,(H,10,12)",NZASCBIBXNPDMH-UHFFFAOYSA-N
BMGC_DG10448,BMG_DG151366,,O=S(O)(=O)CCCCCCCCCC,,KVGOXGQSTGQXDD-UHFFFAOYSA-N
BMGC_DG10449,BMG_DG151367,,CCOC(=O)c1c(C)[nH]c2c1c3CN4C(Oc3cc2)c5c(CC4)cc(cc5)OC,,VDDUJINYXKGZLV-UHFFFAOYSA-N
BMGC_DG10450,BMG_DG151368,C1=CC(=CN=C1)NC(=O)CCCCCCC(=O)NO,C(Nc1cnccc1)(=O)CCCCCCC(=O)NO,"InChI=1S/C13H19N3O3/c17-12(15-11-6-5-9-14-10-11)7-3-1-2-4-8-13(18)16-19/h5-6,9-10,19H,1-4,7-8H2,(H,15,17)(H,16,18)",PTJGLFIIZFVFJV-UHFFFAOYSA-N
BMGC_DG10451,BMG_DG151379,C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F,N1(c2c(C(c3c(F)cccc3)=NCC1=S)cc(cc2)Cl)CC(F)(F)F,"InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2",IKMPWMZBZSAONZ-UHFFFAOYSA-N
BMGC_DG10452,BMG_DG151380,,,,
BMGC_DG10453,BMG_DG151399,C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42,C1(=Nc2c(cccc2)Sc3c1cccc3)N4CCN(CC4)CCOCCO,"InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2",URKOMYMAXPYINW-UHFFFAOYSA-N
BMGC_DG10454,BMG_DG151406,,O=C(O)c1cccc2c(-c3ccccc3)c(-c4ccccc4)[nH]c12,,OLUDUXWVPIEHDA-UHFFFAOYSA-N
BMGC_DG10455,BMG_DG151409,,c12c(C(c3ccc(c(c3C1=O)O)O)=O)c(ccc2O)O,,VBHKTXLEJZIDJF-UHFFFAOYSA-N
BMGC_DG10456,BMG_DG151410,,,,
BMGC_DG10457,BMG_DG151423,CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+],c1(/C(/c2cc(S([O-])(=O)=O)ccc2S([O-])(=O)=O)=C\3/C=CC(C=C3)=[N+](CC)CC)ccc(cc1)N(CC)CC.[Na+],"InChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-19-24(36(30,31)32)17-18-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1",NLUFDZBOHMOBOE-UHFFFAOYSA-M
BMGC_DG10458,BMG_DG151425,C1CN(CCN1)C2=NC3=CC=CC=C3C=C2,n1c(N2CCNCC2)ccc3c1cccc3,"InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2",XRXDAJYKGWNHTQ-UHFFFAOYSA-N
BMGC_DG10459,BMG_DG151428,C1CN(CCN1)C2=NC3=C(C=C2)C=C(C=C3)[N+](=O)[O-],[N+](c1cc2ccc(nc2cc1)N3CCNCC3)([O-])=O,"InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2",GGDBEAVVGFNWIA-UHFFFAOYSA-N
BMGC_DG10460,BMG_DG151429,C[C@H](CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O,c12c(c(=O)n(c(n1C)=O)CCCC[C@H](O)C)n(C)cn2,"InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m1/s1",NSMXQKNUPPXBRG-SECBINFHSA-N
BMGC_DG10461,BMG_DG151431,,c12ccccc1nc(cc2)N3CCN(CC3)C,,HOMWNUXPSJQSSU-UHFFFAOYSA-N
BMGC_DG10462,BMG_DG151435,CCCCN1C[C@@H]([C@H]([C@H]([C@H]1CO)O)O)O,CCCCN1C[C@@H]([C@H]([C@H]([C@H]1CO)O)O)O,"InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9+,10-/m1/s1",UQRORFVVSGFNRO-XFWSIPNHSA-N
BMGC_DG10463,BMG_DG151436,,N1(CCC(CC1)=Cc2ccc(cc2)C=3OCCN3)C(c4ccc(cc4)Cl)=O,,JQNWPWUJMRAASQ-UHFFFAOYSA-N
BMGC_DG10464,BMG_DG151440,CCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O,CCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O,"InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1",FTSCEGKYKXESFF-LXTVHRRPSA-N
BMGC_DG10465,BMG_DG151444,C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+],N(c1c(Cl)cccc1Cl)c2c(CC([O-])=O)cccc2.[Na+],"InChI=1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1",KPHWPUGNDIVLNH-UHFFFAOYSA-M
BMGC_DG10466,BMG_DG151447,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CC[N+](CC4)(C)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)N6CC[N+](CC6)(C)C)C,[C@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC1)[H])(C[C@H](N5CC[N+](CC5)(C)C)[C@H](C4)OC(=O)C)C)[H])[H])(C[C@@H]([C@@H]2OC(=O)C)N6CC[N+](CC6)(C)C)[H])C,"InChI=1S/C35H62N4O4/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36/h26-33H,9-23H2,1-8H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1",OWWLUIWOFHMHOQ-XGHATYIMSA-N
BMGC_DG10467,BMG_DG151453,,c12c(c(CC(Oc3ccc(NC(C)=O)cc3)=O)c(n1C(c4ccc(Cl)cc4)=O)C)cc(OC)cc2,,KWUFTKVMXUYTBF-UHFFFAOYSA-N
BMGC_DG10468,BMG_DG151459,CC(CC1=CC=CC=C1)NC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O,,"InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)",RIRGCFBBHQEQQH-UHFFFAOYSA-N
BMGC_DG10469,BMG_DG151464,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O,C([C@H](NC([C@H](Cc1c[nH]cn1)NC(=O)[C@@H]2CCC(N2)=O)=O)C(N[C@H](C(N[C@@H](Cc3ccc(cc3)O)C(N[C@@H](C(N[C@H](C(N[C@H](C(=O)N4[C@H](C(NCC)=O)CCC4)CCCNC(=N)N)=O)CC(C)C)=O)COC(C)(C)C)=O)=O)CO)=O)c5c6c([nH]c5)cccc6.CC(=O)O,"InChI=1S/C60H86N16O13.C2H4O2/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40;1-2(3)4/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65);1H3,(H,3,4)/t40-,41-,42-,43-,44-,45-,46-,47+,48-;/m0./s1",PYMDEDHDQYLBRT-DRIHCAFSSA-N
BMGC_DG10470,BMG_DG151465,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6,C([C@H](NC([C@H](Cc1c[nH]cn1)NC(=O)[C@@H]2CCC(N2)=O)=O)C(N[C@H](C(N[C@@H](Cc3ccc(cc3)O)C(N[C@@H](C(N[C@H](C(N[C@H](C(=O)N4[C@H](C(NCC)=O)CCC4)CCCNC(=N)N)=O)CC(C)C)=O)COC(C)(C)C)=O)=O)CO)=O)c5c6c([nH]c5)cccc6,"InChI=1S/C60H86N16O13/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65)/t40-,41-,42-,43-,44-,45-,46-,47+,48-/m0/s1",CUWODFFVMXJOKD-UVLQAERKSA-N
BMGC_DG10471,BMG_DG151466,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)OC)C(=O)O)N=C(N)N,O1[C@]([C@H](NC(=O)C)[C@@H](N=C(N)N)C=C1C(O)=O)([C@H](OC)[C@H](O)CO)[H],"InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1",QNRRHYPPQFELSF-CNYIRLTGSA-N
BMGC_DG10472,BMG_DG151468,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C)(C)CO,CC(C)(C)c1cc(CC(C)(C)CO)cc(C(C)(C)C)c1O,"InChI=1S/C19H32O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,20-21H,11-12H2,1-8H3",XLWJPQQFJNGUPA-UHFFFAOYSA-N
BMGC_DG10473,BMG_DG151469,CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl,n1c([nH]c2c1cc(c(Oc3c(c(Cl)ccc3)Cl)c2)Cl)SC,"InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)",NQPDXQQQCQDHHW-UHFFFAOYSA-N
BMGC_DG10474,BMG_DG151470,,c1(c2n(C)cnc2n(c(n1CCCn3c(n(c4ncn(c4c3=O)C)C)=O)=O)C)=O,,KEPIKAFUZRKZMT-UHFFFAOYSA-N
BMGC_DG10475,BMG_DG151473,,c1(nc2c([nH]1)cccc2)CN3CCN(CC3)c4ccccn4,,FRPJGTNLZNXQEX-UHFFFAOYSA-N
BMGC_DG10476,BMG_DG151478,CCCCCCCOC1=CC=CC=C1NC(=O)OC(C)CN(CC)CC,c1(ccccc1OCCCCCCC)NC(=O)OC(CN(CC)CC)C,"InChI=1S/C21H36N2O3/c1-5-8-9-10-13-16-25-20-15-12-11-14-19(20)22-21(24)26-18(4)17-23(6-2)7-3/h11-12,14-15,18H,5-10,13,16-17H2,1-4H3,(H,22,24)",PYSAVFUPLJMDHW-UHFFFAOYSA-N
BMGC_DG10477,BMG_DG151480,CN=C(NCCSCC1=CSC(=N1)N=C(N)N)NC#N,c1(NC(=N)N)nc(CSCCNC(NC)=NC#N)cs1,"InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18)",YDDXVAXDYKBWDX-UHFFFAOYSA-N
BMGC_DG10478,BMG_DG151483,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC,c1([nH]c2ccccc2n1)[S+](Cc3c(c(OCCCOC)ccn3)C)[O-],"InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)",YREYEVIYCVEVJK-UHFFFAOYSA-N
BMGC_DG10479,BMG_DG151486,CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)O,n1(c2c(cc3c(c2CCC)oc(cc3=O)C(O)=O)c(cc1C(O)=O)=O)CC,"InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)",RQTOOFIXOKYGAN-UHFFFAOYSA-N
BMGC_DG10480,BMG_DG151494,C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)N)I,n1([C@H]2[C@H]([C@H](O)[C@H](O2)CO)F)c(nc(N)c(c1)I)=O,"InChI=1S/C9H11FIN3O4/c10-5-6(16)4(2-15)18-8(5)14-1-3(11)7(12)13-9(14)17/h1,4-6,8,15-16H,2H2,(H2,12,13,17)/t4-,5+,6-,8-/m1/s1",GIMSJJHKKXRFGV-BYPJNBLXSA-N
BMGC_DG10481,BMG_DG151495,C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)I,n1([C@H]2[C@H]([C@H](O)[C@H](O2)CO)F)c([nH]c(c(c1)I)=O)=O,"InChI=1S/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1",IPVFGAYTKQKGBM-BYPJNBLXSA-N
BMGC_DG10482,BMG_DG151496,CC(C(C1=CC=CC=C1)O)NC,,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3",KWGRBVOPPLSCSI-UHFFFAOYSA-N
BMGC_DG10483,BMG_DG151498,C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O,c1(c(sc2c1ccc(O)c2)-c3ccc(cc3)O)C(c4ccc(cc4)OCCN5CCCCC5)=O,"InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2",GZUITABIAKMVPG-UHFFFAOYSA-N
BMGC_DG10484,BMG_DG151502,,[N+](=O)([O-])c1cc2c3c(ccc2o1)cccc3,,HXRMBVOCHDEAQH-UHFFFAOYSA-N
BMGC_DG10485,BMG_DG151503,,Cn1cc(c(=O)c2c1sc(CN3CCOCC3)c2)C(NCc4ccc(Cl)cc4)=O,,WRWZKICFIPWGNY-UHFFFAOYSA-N
BMGC_DG10486,BMG_DG151508,CC(=CCC1=C(C2=C(C=C1O)OC(=C2)C3=C(C=C(C=C3)O)O)OC)C,c1(cc2c(c(c1CC=C(C)C)OC)cc(o2)-c3ccc(cc3O)O)O,"InChI=1S/C20H20O5/c1-11(2)4-6-14-17(23)10-19-15(20(14)24-3)9-18(25-19)13-7-5-12(21)8-16(13)22/h4-5,7-10,21-23H,6H2,1-3H3",CNPMAFLUEHEXRE-UHFFFAOYSA-N
BMGC_DG10487,BMG_DG151512,CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C,c1(oc(CN(C)C)cc1)CSCCNC(NC)=C[N+]([O-])=O,"InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3",VMXUWOKSQNHOCA-UHFFFAOYSA-N
BMGC_DG10488,BMG_DG151516,C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)C=O,O=Cc1ccc2[nH]c3ccccc3c2c1,"InChI=1S/C13H9NO/c15-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)14-13/h1-8,14H",WRBOHOGDAJPJOQ-UHFFFAOYSA-N
BMGC_DG10489,BMG_DG151520,C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl,c1(cc(=O)[nH]c2c1cccc2)CC(NC(c3ccc(cc3)Cl)=O)C(=O)O,"InChI=1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)",ALLWOAVDORUJLA-UHFFFAOYSA-N
BMGC_DG10490,BMG_DG151535,[SH-],,InChI=1S/H2S/h1H2/p-1,RWSOTUBLDIXVET-UHFFFAOYSA-M
BMGC_DG10491,BMG_DG151542,CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N,N1(C(c2cc(N)cc3c2c(C1=O)ccc3)=O)CCN(C)C,"InChI=1S/C16H17N3O2/c1-18(2)6-7-19-15(20)12-5-3-4-10-8-11(17)9-13(14(10)12)16(19)21/h3-5,8-9H,6-7,17H2,1-2H3",UPALIKSFLSVKIS-UHFFFAOYSA-N
BMGC_DG10492,BMG_DG151547,C1=CC(=CC(=C1)O)O,c1c(O)cccc1O,"InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H",GHMLBKRAJCXXBS-UHFFFAOYSA-N
BMGC_DG10493,BMG_DG151549,,,,
BMGC_DG10494,BMG_DG151555,CCCCCC(C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2)O,n1c2c(cccc2)ccc1COc3cc(C(O)CCCCC)ccc3,"InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3",JRLOEMCOOZSCQP-UHFFFAOYSA-N
BMGC_DG10495,BMG_DG151557,,,,
BMGC_DG10496,BMG_DG151565,C1=C(C=C(C2=C1C3=C(O2)C(=CC(=C3Cl)Cl)Cl)Cl)Cl,c12c(Cl)c(Cl)cc(Cl)c1oc3c(Cl)cc(cc32)Cl,InChI=1S/C12H3Cl5O/c13-4-1-5-9-10(17)6(14)3-8(16)12(9)18-11(5)7(15)2-4/h1-3H,JDTUAYPJSSXDNO-UHFFFAOYSA-N
BMGC_DG10497,BMG_DG151572,C1CCC(=NOC(=O)NCCCCCCNC(=O)ON=C2CCCCC2)CC1,C1CCCC(=NOC(NCCCCCCNC(ON=C2CCCCC2)=O)=O)C1,"InChI=1S/C20H34N4O4/c25-19(27-23-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(26)28-24-18-13-7-4-8-14-18/h1-16H2,(H,21,25)(H,22,26)",RXSVYGIGWRDVQC-UHFFFAOYSA-N
BMGC_DG10498,BMG_DG151585,CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl,n1(nc(nc1CNC(=O)CN)C(=O)N(C)C)-c2c(cc(cc2)Cl)C(c3c(cccc3)Cl)=O,"InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)",KYHFRCPLIGODFH-UHFFFAOYSA-N
BMGC_DG10499,BMG_DG151587,C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N,c1(nc2ccc(OC(F)(F)F)cc2s1)N,"InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)",FTALBRSUTCGOEG-UHFFFAOYSA-N
BMGC_DG10500,BMG_DG151590,CC(C12CC3CC(C1)CC(C3)C2)N,C12(CC3CC(C1)CC(C2)C3)C(N)C,"InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3",UBCHPRBFMUDMNC-UHFFFAOYSA-N
BMGC_DG10501,BMG_DG151591,CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F,c1(c(n2CCCCc2nc1C)=O)CCN3CCC(c4noc5c4ccc(F)c5)CC3,"InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3",RAPZEAPATHNIPO-UHFFFAOYSA-N
BMGC_DG10502,BMG_DG151595,CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)CC3,n12c(nc(c(c1=O)CCN3CCC(=C(c4ccc(cc4)F)c5ccc(cc5)F)CC3)C)scc2,"InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3",JUQLTPCYUFPYKE-UHFFFAOYSA-N
BMGC_DG10503,BMG_DG151599,CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C,,"InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3",XSVMFMHYUFZWBK-UHFFFAOYSA-N
BMGC_DG10504,BMG_DG151600,CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3,n1cnn(c1)Cc2cc3c(c[nH]c3cc2)CCN(C)C,"InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3",ULFRLSNUDGIQQP-UHFFFAOYSA-N
BMGC_DG10505,BMG_DG151601,COC1=CN=C(C2=C1C(=CN2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)OC,n1cc(c2c(c1OC)[nH]cc2C(C(N3CCN(CC3)C(c4ccccc4)=O)=O)=O)OC,"InChI=1S/C22H22N4O5/c1-30-16-13-24-20(31-2)18-17(16)15(12-23-18)19(27)22(29)26-10-8-25(9-11-26)21(28)14-6-4-3-5-7-14/h3-7,12-13,23H,8-11H2,1-2H3",DBPMWRYLTBNCCE-UHFFFAOYSA-N
BMGC_DG10506,BMG_DG151605,CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)N=[N+]=[N-])C,c1(ncn2-c3ccc(N=[N+]=[N-])cc3C(N(Cc21)C)=O)C(OCC)=O,"InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3",CFSOJZTUTOQNIA-UHFFFAOYSA-N
BMGC_DG10507,BMG_DG151606,,C(c1c(ccc(c1)Cl)O)(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F,,CHILCFMQWMQVAL-UHFFFAOYSA-N
BMGC_DG10508,BMG_DG151609,CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N,n1(c2c(cccc2)c(C=3C(NC(=O)C3c4cn(c5c4cccc5)CCCSC(N)=N)=O)c1)C,"InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)",DSXXEELGXBCYNQ-UHFFFAOYSA-N
BMGC_DG10509,BMG_DG151612,CCCCOCC1=CC(=C(C=C1)O)OC,c1cc(cc(c1O)OC)COCCCC,"InChI=1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3",VLDFMKOUUQYFGF-UHFFFAOYSA-N
BMGC_DG10510,BMG_DG151618,CCCCOC1=C(C=CC(=C1)CC2CNC(=O)N2)OC,C1(NC(CN1)Cc2cc(c(cc2)OC)OCCCC)=O,"InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)",PDMUULPVBYQBBK-UHFFFAOYSA-N
BMGC_DG10511,BMG_DG151622,,C=CCN(CCc1c2c([nH]c1)ccc(OC)c2)CC=C,,HGRHWEAUHXYNNP-UHFFFAOYSA-N
BMGC_DG10512,BMG_DG151623,,C(C[C@@H](C1CCCC1)n2ncc(c2)-c3ncnc4c3cc[nH]4)#N,,HFNKQEVNSGCOJV-HNNXBMFYSA-N
BMGC_DG10513,BMG_DG151628,C1=CC(=C(C(=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl)Cl,c1c(-c2ccc(Cl)c(Cl)c2Cl)cc(Cl)c(Cl)c1Cl,InChI=1S/C12H4Cl6/c13-7-2-1-6(10(16)12(7)18)5-3-8(14)11(17)9(15)4-5/h1-4H,YTWXDQVNPCIEOX-UHFFFAOYSA-N
BMGC_DG10514,BMG_DG151645,C1=CC=C(C=C1)CCC2=CC(=O)C(=C3N2NC=N3)C(=O)NCC(=O)O,c1ccc(cc1)CCc2cc(c(c3n2ncn3)C(NCC(O)=O)=O)O,"InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10H,6-7,9H2,(H,18,25)(H,19,20)(H,23,24)",NALAUGMPMIVAOW-UHFFFAOYSA-N;FJYRBJKWDXVHHO-UHFFFAOYSA-N
BMGC_DG10515,BMG_DG151650,CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3,S(c1ccc(C2=C(C(=O)OC2)c3ccccc3)cc1)(=O)(=O)C,"InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3",RZJQGNCSTQAWON-UHFFFAOYSA-N
BMGC_DG10516,BMG_DG151657,C[C@@H](C1=CC2=C(C(=CC=C2)Cl)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5,c1(n(c(cc2cccc(c12)Cl)[C@H](C)Nc3ncnc4[nH]cnc34)-c5ccccc5)=O,"InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1",SJVQHLPISAIATJ-ZDUSSCGKSA-N
BMGC_DG10517,BMG_DG151659,CCC(C)C(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C(CC)OC(=O)C)O)CC=C(C)C)O,,"InChI=1S/C24H30O7/c1-7-13(5)21(27)20-23(29)15(10-9-12(3)4)22(28)19-16(11-18(26)31-24(19)20)17(8-2)30-14(6)25/h9,11,13,17,28-29H,7-8,10H2,1-6H3",CIJFRPODNXMJFU-UHFFFAOYSA-N
BMGC_DG10518,BMG_DG151679,CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co],,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/p-2",ITFLMCXLENHUAD-UHFFFAOYSA-L
BMGC_DG10519,BMG_DG151680,C[C@H]1CN([C@]12CCN(C2)C3=NC=NC4=C3C=CN4)C(=O)CC#N,C(N1C[C@H](C)[C@@]12CCN(c3ncnc4[nH]ccc43)C2)(=O)CC#N,"InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1",LOWWYYZBZNSPDT-ZBEGNZNMSA-N
BMGC_DG10520,BMG_DG151685,CC1=CC=C(C=C1)C2=NC=C(C=C2)O[C@H]3CN4CCC3CC4,O([C@@H]1C2CCN(C1)CC2)c3ccc(nc3)-c4ccc(cc4)C,"InChI=1S/C19H22N2O/c1-14-2-4-15(5-3-14)18-7-6-17(12-20-18)22-19-13-21-10-8-16(19)9-11-21/h2-7,12,16,19H,8-11,13H2,1H3/t19-/m0/s1",NPDLTEZXGWRMLQ-IBGZPJMESA-N
BMGC_DG10521,BMG_DG151686,C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C(C(F)(F)F)(F)F)O)C5=CC=C(C=C5)S(=O)(=O)C,c1c(ccc(c1)[C@@]2(C=3[C@]([C@]4([C@](C2)([C@](CC4)(O)C(F)(C(F)(F)F)F)C)[H])(CCC=5C3CCC(C5)=O)[H])[H])S(C)(=O)=O,"InChI=1S/C27H29F5O4S/c1-24-14-21(15-3-7-18(8-4-15)37(2,35)36)23-19-10-6-17(33)13-16(19)5-9-20(23)22(24)11-12-25(24,34)26(28,29)27(30,31)32/h3-4,7-8,13,20-22,34H,5-6,9-12,14H2,1-2H3/t20-,21+,22-,24-,25-/m0/s1",JUFWQQVHQFDUOD-ANRPBIDPSA-N
BMGC_DG10522,BMG_DG151693,COC1=C(C=C(C=C1)C2CC(=O)NC2)OC3CCCC3,c1(cc(C2CC(=O)NC2)ccc1OC)OC3CCCC3,"InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)",HJORMJIFDVBMOB-UHFFFAOYSA-N
BMGC_DG10523,BMG_DG151696,C[C@@H](CNC1=NC=CC(=N1)C2=CN(N=C2C3=C(C(=CC(=C3)Cl)NS(=O)(=O)C)F)C(C)C)NC(=O)OC,C(N[C@H](CNc1nc(ccn1)-c2c(nn(c2)C(C)C)-c3c(c(cc(c3)Cl)NS(=O)(=O)C)F)C)(=O)OC,"InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1",CMJCXYNUCSMDBY-ZDUSSCGKSA-N
BMGC_DG10524,BMG_DG151699,CCN1C(=CC2=C3C(=C(N=C21)NC4=NN(C(=C4)C)C)N=CN3C)C(=O)N(C5CC5)C6CC6,c12nc(c3c(c1cc(n2CC)C(N(C4CC4)C5CC5)=O)n(cn3)C)Nc6nn(c(c6)C)C,"InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)",JCINBYQJBYJGDM-UHFFFAOYSA-N
BMGC_DG10525,BMG_DG151721,CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3,c12c(c(=O)n(c(n1C)=O)C)n(CC3OCCO3)cn2,"InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3",HWXIGFIVGWUZAO-UHFFFAOYSA-N
BMGC_DG10526,BMG_DG151723,C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4=CC(=C(C=C4)C5CC5C6=CC=C(C=C6)C(=O)O)Cl,,"InChI=1S/C29H22Cl3NO4/c30-23-2-1-3-24(31)26(23)27-22(28(37-33-27)16-6-7-16)14-36-18-10-11-19(25(32)12-18)21-13-20(21)15-4-8-17(9-5-15)29(34)35/h1-5,8-12,16,20-21H,6-7,13-14H2,(H,34,35)",XBUXXJUEBFDQHD-UHFFFAOYSA-N
BMGC_DG10527,BMG_DG151727,CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1,N1C(Cc2c1cccc2CCN(CCC)CCC)=O,"InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)",UHSKFQJFRQCDBE-UHFFFAOYSA-N
BMGC_DG10528,BMG_DG151735,CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3,C(C(CC)Nc1nc2n(cnc2c(n1)NCc3ccccc3)C(C)C)O,"InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)",BTIHMVBBUGXLCJ-UHFFFAOYSA-N
BMGC_DG10529,BMG_DG151738,C1CCN(CC1)CC(CN2C=CN=C2[N+](=O)[O-])O,c1([N+]([O-])=O)n(CC(CN2CCCCC2)O)ccn1,"InChI=1S/C11H18N4O3/c16-10(8-13-5-2-1-3-6-13)9-14-7-4-12-11(14)15(17)18/h4,7,10,16H,1-3,5-6,8-9H2",WVWOOAYQYLJEFD-UHFFFAOYSA-N
BMGC_DG10530,BMG_DG151739,C1CC(CCC1N2C=NC3=C(C2=N)C(=C(N3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)O,[C@H]1(CC[C@H](CC1)n2c(c3c(nc2)n(c(c3-c4ccccc4)-c5ccccc5)Cc6ccccc6)=N)O,"InChI=1S/C31H30N4O/c32-30-28-27(23-12-6-2-7-13-23)29(24-14-8-3-9-15-24)34(20-22-10-4-1-5-11-22)31(28)33-21-35(30)25-16-18-26(36)19-17-25/h1-15,21,25-26,32,36H,16-20H2",WSMXAUJFLWRPNT-UHFFFAOYSA-N;WSMXAUJFLWRPNT-DIVCQZSQSA-N
BMGC_DG10531,BMG_DG151811,CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)F)OC3=CN=CN=C3,c1c(cc(cc1Oc2cncnc2)C(Nc3nc(cs3)C)=O)F,"InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)",AXVLPJHYYFHCHK-UHFFFAOYSA-N
BMGC_DG10532,BMG_DG151814,,C(c1cnccc1)(=O)NCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,,YYQALOWPCKMFDQ-JLNKQSITSA-N
BMGC_DG10533,BMG_DG151815,CC(C)[C@@]1(CC[C@H](C1)N[C@H]2CCOC[C@H]2OC)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C(F)(F)F,C(=O)([C@]1(C(C)C)C[C@](N[C@@H]2[C@H](OC)COCC2)(CC1)[H])N3CCN(CC3)c4cc(C(F)(F)F)ccn4,"InChI=1S/C25H37F3N4O3/c1-17(2)24(7-4-19(15-24)30-20-6-13-35-16-21(20)34-3)23(33)32-11-9-31(10-12-32)22-14-18(5-8-29-22)25(26,27)28/h5,8,14,17,19-21,30H,4,6-7,9-13,15-16H2,1-3H3/t19-,20+,21-,24+/m1/s1",DQWSENNLMPJNRJ-WHLIWEHUSA-N
BMGC_DG10534,BMG_DG151822,,CN1CCN(CC1)c2cc3c(cc(cc3NCc4cc(ccc4)[N+]([O-])=O)C(F)(F)F)nc2,,JIYPGFPFAVEPFX-UHFFFAOYSA-N
BMGC_DG10535,BMG_DG151823,,O(C(C)C)c1ccc(-c2cn3c(c(cn3)-c4c5c(ncc4)cccc5)nc2)cc1,,JMIFGARJSWXZSH-UHFFFAOYSA-N
BMGC_DG10536,BMG_DG151834,C(CC(=O)O)C(=O)C(=O)O,C(C(=O)CCC(=O)O)(=O)O,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",KPGXRSRHYNQIFN-UHFFFAOYSA-N
BMGC_DG10537,BMG_DG151837,,CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1,,DUIHHZKTCSNTGM-UHFFFAOYSA-N
BMGC_DG10538,BMG_DG151841,CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C,C(C(C)(C)n1ncc(c1)-c2cc3c(-c4n(CCO3)cc(n4)-c5nc(nn5C(C)C)C)cc2)(=O)N,"InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)",BEUQXVWXFDOSAQ-UHFFFAOYSA-N
BMGC_DG10539,BMG_DG151857,C1=CC=C(C=C1)C2=C3C(=CC=C2)N=C(N=C3NCC4=CC=CC=N4)C5=CC(=CN=C5)S(=O)(=O)N,NS(c1cc(-c2nc3cccc(c3c(NCc4ccccn4)n2)-c5ccccc5)cnc1)(=O)=O,"InChI=1S/C25H20N6O2S/c26-34(32,33)20-13-18(14-27-16-20)24-30-22-11-6-10-21(17-7-2-1-3-8-17)23(22)25(31-24)29-15-19-9-4-5-12-28-19/h1-14,16H,15H2,(H2,26,32,33)(H,29,30,31)",XGKULQQVQWCASY-UHFFFAOYSA-N
BMGC_DG10540,BMG_DG151858,,C(C)COc1ccc(C2CNC(=O)N2c3ccc4c(nc[nH]4)c3)cc1,,XHIKZWOEFZENIX-UHFFFAOYSA-N
BMGC_DG10541,BMG_DG151859,,C(C)COc1ccc([C@@H]2CNC(=O)N2c3ccc4c(nc[nH]4)c3)cc1,,XHIKZWOEFZENIX-SFHVURJKSA-N
BMGC_DG10542,BMG_DG151860,CCCOC1=CC=C(C=C1)[C@H]2CNC(=O)N2C3=CC4=C(C=C3)N=CN4,C(C)COc1ccc([C@H]2CNC(=O)N2c3ccc4c(nc[nH]4)c3)cc1,"InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1",XHIKZWOEFZENIX-GOSISDBHSA-N
BMGC_DG10543,BMG_DG151870,CCCC1=C(NN(C1=O)C2=CC=CC=N2)C3=CC=CC=C3,c1cc(-c2c(CCC)c(O)n(-c3ccccn3)n2)ccc1,"InChI=1S/C17H17N3O/c1-2-8-14-16(13-9-4-3-5-10-13)19-20(17(14)21)15-11-6-7-12-18-15/h3-7,9-12,19H,2,8H2,1H3",GIWZEELPLKPYBA-UHFFFAOYSA-N;LQKQLKMTJOMCMJ-UHFFFAOYSA-N
BMGC_DG10544,BMG_DG151873,C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl.O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)Cl)[H])NC([C@@H](c3ccccc3)N)=O.O,"InChI=1S/C15H14ClN3O4S.H2O/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7;/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23);1H2/t9-,10-,14-;/m1./s1",WKJGTOYAEQDNIA-IOOZKYRYSA-N
BMGC_DG10545,BMG_DG151874,CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CC5=C(NN=C5)N=C4,c1c(cc2c(n1)[nH]nc2)C#Cc3c(ccc(c3)C(Nc4cc(c(cc4)CN5CCN(CC5)C)C(F)(F)F)=O)C,"InChI=1S/C29H27F3N6O/c1-19-3-5-22(14-21(19)6-4-20-13-24-17-34-36-27(24)33-16-20)28(39)35-25-8-7-23(26(15-25)29(30,31)32)18-38-11-9-37(2)10-12-38/h3,5,7-8,13-17H,9-12,18H2,1-2H3,(H,35,39)(H,33,34,36)",TZKBVRDEOITLRB-UHFFFAOYSA-N
BMGC_DG10546,BMG_DG151876,CN1C=NC(=C1C[N+](C)(C)C/C=C/C(=O)NC2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)Cl)Br)[N+](=O)[O-],c1(cc2c(cn1)ncnc2Nc3ccc(c(c3)Br)Cl)NC(/C=C/C[N+](C)(C)Cc4n(cnc4[N+]([O-])=O)C)=O,"InChI=1S/C24H23BrClN9O3/c1-33-14-30-24(34(37)38)20(33)12-35(2,3)8-4-5-22(36)32-21-10-16-19(11-27-21)28-13-29-23(16)31-15-6-7-18(26)17(25)9-15/h4-7,9-11,13-14H,8,12H2,1-3H3,(H-,27,28,29,31,32,36)/p+1/b5-4+",MUJMYVFVAWFUJL-SNAWJCMRSA-O
BMGC_DG10547,BMG_DG151878,C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)Cl)[H])NC([C@@H](c3ccccc3)N)=O,"InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1",QYIYFLOTGYLRGG-GPCCPHFNSA-N
BMGC_DG10548,BMG_DG151879,CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)/C=C/[C@H]5CCCN5C,c1(cc2c(cc1OCC)ncc(c2Nc3cc(c(cc3)OCc4ccccn4)Cl)C#N)NC(/C=C/[C@@H]5N(CCC5)C)=O,"InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1",SADXACCFNXBCFY-IYNHSRRRSA-N
BMGC_DG10549,BMG_DG151880,CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC4=NC(CO4)(C)C)OC5=CC6=NC=NN6C=C5,Cc1cc(ccc1Oc2ccn3c(c2)ncn3)Nc4c5cc(ccc5ncn4)NC6=NC(C)(C)CO6,"InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31)",SDEAXTCZPQIFQM-UHFFFAOYSA-N
BMGC_DG10550,BMG_DG151881,C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC,C(c1ccc(cc1)N2C[C@H](N[C@H](C2)C)C)(=O)Nc3n[nH]c(c3)CCc4cc(cc(c4)OC)OC,"InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+",VRQMAABPASPXMW-HDICACEKSA-N
BMGC_DG10551,BMG_DG151883,CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)NC3=NC=NC4=CC(=NN43)C(C)(C)C)NC(C)(C)C,C1C[C@@H]([C@@H](C[C@@H]1NC(C)(C)C)NC(C)=O)N2C([C@H](CC2)Nc3n4c(ncn3)cc(n4)C(C)(C)C)=O,"InChI=1S/C25H40N8O2/c1-15(34)28-18-12-16(30-25(5,6)7)8-9-19(18)32-11-10-17(22(32)35)29-23-27-14-26-21-13-20(24(2,3)4)31-33(21)23/h13-14,16-19,30H,8-12H2,1-7H3,(H,28,34)(H,26,27,29)/t16-,17+,18-,19+/m1/s1",CMVHFGNTABZQJU-HCXYKTFWSA-N
BMGC_DG10552,BMG_DG151886,C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O,c1([N+]([O-])=O)cc([As](=O)(O)O)ccc1O,"InChI=1S/C6H6AsNO6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,9H,(H2,10,11,12)",XMVJITFPVVRMHC-UHFFFAOYSA-N
BMGC_DG10553,BMG_DG151887,CC(C)(C)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC,C(C(c1ccc(C(C)(C)C)cc1)=O)C(c2ccc(cc2)OC)=O,"InChI=1S/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3",XNEFYCZVKIDDMS-UHFFFAOYSA-N
BMGC_DG10554,BMG_DG151891,[2H]C([2H])([2H])[C@@H](C([2H])([2H])CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O,n1(cnc2n(c(=O)n(c(=O)c12)CCCC([C@H](C([2H])([2H])[2H])O)([2H])[2H])C)C,"InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m0/s1/i1D3,6D2",NSMXQKNUPPXBRG-WHPHVCHMSA-N
BMGC_DG10555,BMG_DG151896,CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl,o1c(cc(c1Cl)-c2c(cnn2C)Cl)C(=O)N[C@H](CN)Cc3cc(c(cc3)F)F,"InChI=1S/C18H16Cl2F2N4O2/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27)/t10-/m0/s1",AXTAPYRUEKNRBA-JTQLQIEISA-N
BMGC_DG10556,BMG_DG151897,C1=CC(=CC=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl,c1c(-c2cc(Cl)c(Cl)c(Cl)c2)ccc(Cl)c1,InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H,BHWVLZJTVIYLIV-UHFFFAOYSA-N
BMGC_DG10557,BMG_DG151899,CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O,c12c(CC(NCC(COc3c(cccc3)C#N)O)(C)C)c[nH]c1cccc2,"InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3",FBMYKMYQHCBIGU-UHFFFAOYSA-N
BMGC_DG10558,BMG_DG151904,C1C[C@H](C2=C(C=CC=N2)[C@H]([C@@H]1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6,c1cc2c(nc1)[C@@H](CC[C@H]([C@@H]2N)c3cccc(c3F)F)OC(N4CCC(CC4)n5c6c([nH]c5=O)nccc6)=O,"InChI=1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1",KRNAOFGYEFKHPB-ANJVHQHFSA-N
BMGC_DG10559,BMG_DG151906,CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)CN3CCC4(CC3)C=CC5=CC=CC=C45,C1CN(CCC21C=Cc3ccccc32)Cc4ccc(cc4)COc5ccc(cc5)[C@H](CC(O)=O)C#CC,"InChI=1S/C33H33NO3/c1-2-5-29(22-32(35)36)27-12-14-30(15-13-27)37-24-26-10-8-25(9-11-26)23-34-20-18-33(19-21-34)17-16-28-6-3-4-7-31(28)33/h3-4,6-17,29H,18-24H2,1H3,(H,35,36)/t29-/m0/s1",FHRWHNJJQGSCQC-LJAQVGFWSA-N
BMGC_DG10560,BMG_DG151908,CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2,C1CCN(CC1)Cc2cccc(OCCCNC(COC(C)=O)=O)c2,"InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)",SMTZFNFIKUPEJC-UHFFFAOYSA-N
BMGC_DG10561,BMG_DG151911,CNC(=O)CCC1=NN(C(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)N5CCNCC5,,"InChI=1S/C30H30F3N5O/c1-34-29(39)15-10-25-20-28(38(36-25)27-13-11-26(12-14-27)37-18-16-35-17-19-37)23-4-2-21(3-5-23)22-6-8-24(9-7-22)30(31,32)33/h2-9,11-14,20,35H,10,15-19H2,1H3,(H,34,39)",GHBUPSVATJKTRR-UHFFFAOYSA-N
BMGC_DG10562,BMG_DG151917,C1=C(NC=N1)C[C@@H](C(=O)O)[N-]C(=O)CCN.[Zn],,"InChI=1S/C9H14N4O3.Zn/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6;/h4-5,7H,1-3,10H2,(H3,11,12,13,14,15,16);/p-1/t7-;/m0./s1",GFWBKUDRXMQSFD-FJXQXJEOSA-M
BMGC_DG10563,BMG_DG151937,,,,
BMGC_DG10564,BMG_DG151944,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O,c12c(c(c(C(O)=O)cn1CC)=O)cc(F)c(c2)N3CCN(C)CC3,"InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)",FHFYDNQZQSQIAI-UHFFFAOYSA-N
BMGC_DG10565,BMG_DG151953,,,,
BMGC_DG10566,BMG_DG151965,C1=C(C=C(C2=C1OC3=C(C(=C(C=C23)Cl)Cl)Cl)Cl)Cl,c12c(Cl)cc(Cl)cc1oc3c(Cl)c(Cl)c(Cl)cc32,InChI=1S/C12H3Cl5O/c13-4-1-6(14)9-5-3-7(15)10(16)11(17)12(5)18-8(9)2-4/h1-3H,FRLMQDUYUJIHCZ-UHFFFAOYSA-N
BMGC_DG10567,BMG_DG151969,C1=C2C(=CC(=C1Cl)Cl)OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl,c12c3c(cc(Cl)c(c3)Cl)oc1c(c(Cl)c(c2Cl)Cl)Cl,InChI=1S/C12H2Cl6O/c13-4-1-3-6(2-5(4)14)19-12-7(3)8(15)9(16)10(17)11(12)18/h1-2H,LVYBAQIVPKCOEE-UHFFFAOYSA-N
BMGC_DG10568,BMG_DG151970,C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N,[nH]1c2C(CCCc2c3cc(ccc31)Cl)C(=O)N,"InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)",FUZYTVDVLBBXDL-UHFFFAOYSA-N
BMGC_DG10569,BMG_DG151983,C1=CC(=CC=C1C(C(=O)O)N)C(=O)O,,"InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)",VTMJKPGFERYGJF-UHFFFAOYSA-N
BMGC_DG10570,BMG_DG151989,CCCCCCCCN=C1C=CN(C=C1)CCCCCCCCCCN2C=CC(=NCCCCCCCC)C=C2,n1(cc/c(=N/CCCCCCCC)/cc1)CCCCCCCCCCn2cc/c(=N/CCCCCCCC)/cc2,"InChI=1S/C36H62N4/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2/h23-26,31-34H,3-22,27-30H2,1-2H3",ZVXNYZWXUADSRV-UHFFFAOYSA-N
BMGC_DG10571,BMG_DG152017,C[C@@H]1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)NC(=O)N)CC3=CC=C(C=C3)F,C1N(C(COc2ccc(Cl)cc2NC(N)=O)=O)[C@H](C)CN(Cc3ccc(F)cc3)C1,"InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1",XQYASZNUFDVMFH-CQSZACIVSA-N
BMGC_DG10572,BMG_DG152025,CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC,c1(n(nnn1CC)CCN2CCC(N(C(=O)CC)c3ccccc3)(CC2)COC)=O,"InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3",IDBPHNDTYPBSNI-UHFFFAOYSA-N
BMGC_DG10573,BMG_DG152030,C(CC(=O)[O-])C(C(=O)[O-])N,,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2",WHUUTDBJXJRKMK-UHFFFAOYSA-L
BMGC_DG10574,BMG_DG152034,CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC,C[N+](C)(C)CCOP(=O)(OC[C@@H](COC(CCCCCCCCCCC)=O)OC(=O)CCCCCCCCCCC)[O-],"InChI=1S/C32H64NO8P/c1-6-8-10-12-14-16-18-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33(3,4)5)41-32(35)25-23-21-19-17-15-13-11-9-7-2/h30H,6-29H2,1-5H3/t30-/m1/s1",IJFVSSZAOYLHEE-SSEXGKCCSA-N
BMGC_DG10575,BMG_DG152062,CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C3=C2C=CC(=C3)NC4=NC=C(C(=N4)NC5CCC5)C(F)(F)F,C(C)(=O)NCC(=O)N1[C@H]2CC[C@@H]1c3cc(ccc23)Nc4nc(c(cn4)C(F)(F)F)NC5CCC5,"InChI=1S/C23H25F3N6O2/c1-12(33)27-11-20(34)32-18-7-8-19(32)16-9-14(5-6-15(16)18)30-22-28-10-17(23(24,25)26)21(31-22)29-13-3-2-4-13/h5-6,9-10,13,18-19H,2-4,7-8,11H2,1H3,(H,27,33)(H2,28,29,30,31)/t18-,19+/m0/s1",RYYNGWLOYLRZLK-RBUKOAKNSA-N
BMGC_DG10576,BMG_DG152072,,N(C(=O)[C@H]1C[C@@H](NC(CC)=O)CC1)(C)c2ccc(-c3nc4c(o3)cccc4)cc2,,YNFDIGJKJPNFFD-SJORKVTESA-N
BMGC_DG10577,BMG_DG152074,CC1=NC2=NC(=NN2C(=C1)NC3=CC=C(C=C3)S(F)(F)(F)(F)F)C(C)(F)F,c12nc(cc(n1nc(n2)C(C)(F)F)Nc3ccc(cc3)S(F)(F)(F)(F)F)C,"InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3",OIZSVTOIBNSVOS-UHFFFAOYSA-N
BMGC_DG10578,BMG_DG152078,,c12c(ncnc1ccc(-c3oc(CNCC[S+]([O-])C)cc3)c2)Nc4cc(Cl)c(cc4)OCc5cc(F)ccc5,,OAMVGUFHZPRXOM-UHFFFAOYSA-N
BMGC_DG10579,BMG_DG152079,C1N(C2=CC=CC=C2S1(=O)=O)C(=O)C3=CC(=C(C(=C3)Cl)O)Cl,C(=O)(N1c2c(S(C1)(=O)=O)cccc2)c3cc(Cl)c(c(c3)Cl)O,"InChI=1S/C14H9Cl2NO4S/c15-9-5-8(6-10(16)13(9)18)14(19)17-7-22(20,21)12-4-2-1-3-11(12)17/h1-6,18H,7H2",VOFLAIHEELWYGO-UHFFFAOYSA-N
BMGC_DG10580,BMG_DG152080,COC1=C(C=C(C=C1)NC(=O)[C@H](CCCCN)N)C(=O)N[C@@H](CCCCN)C(=O)NC2=CC(=C(C=C2)OC)C(=O)N[C@@H](CCCCN)C(=O)NC3=CC(=C(C=C3)OC)C(=O)N[C@@H](CCCCN)C(=O)NC4=CC(=C(C=C4)OC)C(=O)N,C(N[C@H](C(Nc1cc(C(N[C@H](C(Nc2cc(C(N)=O)c(cc2)OC)=O)CCCCN)=O)c(cc1)OC)=O)CCCCN)(=O)c3c(OC)ccc(c3)NC([C@@H](NC(=O)c4c(OC)ccc(c4)NC([C@H](CCCCN)N)=O)CCCCN)=O,"InChI=1S/C56H79N13O12/c1-78-45-21-17-33(29-37(45)49(62)70)64-54(75)42(14-6-10-26-58)67-51(72)39-31-35(19-23-47(39)80-3)66-56(77)44(16-8-12-28-60)69-52(73)40-32-36(20-24-48(40)81-4)65-55(76)43(15-7-11-27-59)68-50(71)38-30-34(18-22-46(38)79-2)63-53(74)41(61)13-5-9-25-57/h17-24,29-32,41-44H,5-16,25-28,57-61H2,1-4H3,(H2,62,70)(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,67,72)(H,68,71)(H,69,73)/t41-,42-,43-,44-/m0/s1",PWFIFNGOPQUNIT-ITMZJIMRSA-N
BMGC_DG10581,BMG_DG152086,,,,
BMGC_DG10582,BMG_DG152102,C[C@]1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C=CC(=C2)NC(=O)C3=NC=C(C=C3)F)F,C[C@@]1(c2cc(NC(=O)c3ccc(cn3)F)ccc2F)CS(=O)(=O)N(C(=N1)N)C,"InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1",YHYKUSGACIYRML-KRWDZBQOSA-N
BMGC_DG10583,BMG_DG152104,CC1=C(N2C(=N1)C(=CC=N2)N3CCOCC3)C4=CN=C(C=C4)CCOC,Cc1nc2n(c1-c3cnc(cc3)CCOC)nccc2N4CCOCC4,"InChI=1S/C19H23N5O2/c1-14-18(15-3-4-16(20-13-15)6-10-25-2)24-19(22-14)17(5-7-21-24)23-8-11-26-12-9-23/h3-5,7,13H,6,8-12H2,1-2H3",BPLVDYJDAVYLRQ-UHFFFAOYSA-N
BMGC_DG10584,BMG_DG152105,CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)OS(=O)(=O)O)C,n1cnc(Oc2ccc3c(c2F)cc([nH]3)C)c4n1cc(c4C)OC[C@H](OS(=O)(=O)O)C,"InChI=1S/C19H19FN4O6S/c1-10-6-13-14(23-10)4-5-15(17(13)20)29-19-18-12(3)16(7-24(18)22-9-21-19)28-8-11(2)30-31(25,26)27/h4-7,9,11,23H,8H2,1-3H3,(H,25,26,27)/t11-/m1/s1",QPCFTEORHPYSBL-LLVKDONJSA-N
BMGC_DG10585,BMG_DG152106,CC1=C2C(=NC=NN2C=C1OC[C@@H](C)O)OC3=C(C4=C(C=C3)NC(=C4)CO)F,,"InChI=1S/C19H19FN4O4/c1-10(26)8-27-16-6-24-18(11(16)2)19(21-9-22-24)28-15-4-3-14-13(17(15)20)5-12(7-25)23-14/h3-6,9-10,23,25-26H,7-8H2,1-2H3/t10-/m1/s1",NRYXTTFKQXSWLA-SNVBAGLBSA-N
BMGC_DG10586,BMG_DG152109,,c1(cc(c(nc1)COc2ccc(cc2)-c3c(cn(n3)CCF)-c4ccncc4)C)C,,OWEZURWNYQWWNB-UHFFFAOYSA-N
BMGC_DG10587,BMG_DG152110,CC(C)N(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N(C(=O)[C@H](C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5,O=C1N(c2c(N(C([C@@H]1NC(Nc3cc(C(O)=O)ccc3)=O)=O)CC(N(C(C)C)c4ccccc4)=O)cccc2)c5ccccc5,"InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1",CABBMMXFOOZVMS-PMERELPUSA-N
BMGC_DG10588,BMG_DG152111,CN1CCN2C(C1)C3=CC=CN3CC4=CC=CC=C42,N12C(c3n(ccc3)Cc4ccccc14)CN(C)CC2,"InChI=1S/C16H19N3/c1-17-9-10-19-14-6-3-2-5-13(14)11-18-8-4-7-15(18)16(19)12-17/h2-8,16H,9-12H2,1H3",MNHDDERDSNZCCK-UHFFFAOYSA-N
BMGC_DG10589,BMG_DG152144,,c1(CSC(N)=N)ccccc1,,GTRLQRHWPXEBLF-UHFFFAOYSA-N
BMGC_DG10590,BMG_DG152163,CCSC(=N)N,C(=N)(SCC)N,"InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)",VFIZBHJTOHUOEK-UHFFFAOYSA-N
BMGC_DG10591,BMG_DG152165,CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C(=O)C,CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)-c3ccc(cc3)OCC(=O)Nc4ccc(cc4)C(=O)C,"InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30)",ZKUCFFYOQOJLGT-UHFFFAOYSA-N
BMGC_DG10592,BMG_DG152172,CC(C)CN([C@@H](CCCCNC(=O)[C@H](C(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)OC)CO)S(=O)(=O)C3=CC=C(C=C3)N,COC(N[C@H](C(NCCCC[C@H](N(S(c1ccc(N)cc1)(=O)=O)CC(C)C)CO)=O)C(c2ccccc2)c3ccccc3)=O,"InChI=1S/C33H44N4O6S/c1-24(2)22-37(44(41,42)29-19-17-27(34)18-20-29)28(23-38)16-10-11-21-35-32(39)31(36-33(40)43-3)30(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15,17-20,24,28,30-31,38H,10-11,16,21-23,34H2,1-3H3,(H,35,39)(H,36,40)/t28-,31-/m0/s1",QAHLFXYLXBBCPS-IZEXYCQBSA-N
BMGC_DG10593,BMG_DG152184,,O=C1Nc2ccc(Cl)c(Cl)c2C1=O,,WWSWHYAXEFLETD-UHFFFAOYSA-N
BMGC_DG10594,BMG_DG152200,CSC(=N)N,NC(SC)=N,"InChI=1S/C2H6N2S/c1-5-2(3)4/h1H3,(H3,3,4)",SDDKIZNHOCEXTF-UHFFFAOYSA-N
BMGC_DG10595,BMG_DG152201,C1=CC=C2C(=C1)C(=O)NS2(=O)=O,S1(NC(=O)c2c1cccc2)(=O)=O,"InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)",CVHZOJJKTDOEJC-UHFFFAOYSA-N
BMGC_DG10596,BMG_DG152218,,c1(cc(c(cc1OCc2cc(cc(c2)OC)OC)N)Cl)C(CCC3CCN(CC3)CCNS(=O)(=O)C)=O,,BKVIWGRFRKLFIO-UHFFFAOYSA-N
BMGC_DG10597,BMG_DG152222,C1=C(C=C(C2=C1OC3=C2C(=C(C=C3Cl)Cl)Cl)Cl)Cl,c12c(Cl)c(Cl)cc(Cl)c1oc3cc(Cl)cc(Cl)c32,InChI=1S/C12H3Cl5O/c13-4-1-5(14)9-8(2-4)18-12-7(16)3-6(15)11(17)10(9)12/h1-3H,IYGVHNHWORPMFU-UHFFFAOYSA-N
BMGC_DG10598,BMG_DG152225,C1=CC=C(C(=C1)C(=O)N)O,c1(C(=O)N)c(O)cccc1,"InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)",SKZKKFZAGNVIMN-UHFFFAOYSA-N
BMGC_DG10599,BMG_DG152228,,CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1I,,AAORACFZMYMFCG-UHFFFAOYSA-N
BMGC_DG10600,BMG_DG152235,C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O,c1(cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O)CO,"InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2",GIIZNNXWQWCKIB-UHFFFAOYSA-N
BMGC_DG10601,BMG_DG152246,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)CO)O,n1(c(nc(c(c1)F)N)=O)[C@@H]2O[C@H](CO)[C@H](C2)O,"InChI=1S/C9H12FN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1",IDYKCXHJJGMAEV-RRKCRQDMSA-N
BMGC_DG10602,BMG_DG152256,C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6,[n+]1(c2c(ccc3c2cc4OCOc4c3)c5c(c1)c6c(OCO6)cc5)C,"InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1",INVGWHRKADIJHF-UHFFFAOYSA-N
BMGC_DG10603,BMG_DG152259,,CC(C)(C)n1c2c(c(n1)Cc3c4c(ccc3)cccc4)c(N)ncn2,,GDQXJQSQYMMKRA-UHFFFAOYSA-N
BMGC_DG10604,BMG_DG152264,C1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)OCC(=O)O,S(=O)(=O)(c1ccccc1)NCCc2ccc(OCC(=O)O)cc2,"InChI=1S/C16H17NO5S/c18-16(19)12-22-14-8-6-13(7-9-14)10-11-17-23(20,21)15-4-2-1-3-5-15/h1-9,17H,10-12H2,(H,18,19)",XTNWJMVJVSGKLR-UHFFFAOYSA-N
BMGC_DG10605,BMG_DG152274,,O1C(=CC(C1(c2ccccc2)C)=O)C(=O)O,,DFDGRKNOFOJBAJ-UHFFFAOYSA-N
BMGC_DG10606,BMG_DG152282,CN(C)CC(COC1=CC=CC=C1CCC2=CC(=CC=C2)OC)OC(=O)CCC(=O)O,C(CCC(=O)OC(CN(C)C)COc1c(cccc1)CCc2cc(ccc2)OC)(=O)O,"InChI=1S/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27)",FFYNAVGJSYHHFO-UHFFFAOYSA-N
BMGC_DG10607,BMG_DG152285,C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O,C(c1c(O)cccc1)(Oc2c(C(=O)O)cccc2)=O,"InChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)",WVYADZUPLLSGPU-UHFFFAOYSA-N
BMGC_DG10608,BMG_DG152287,,,,
BMGC_DG10609,BMG_DG152288,CN1C=CC2=CC3=C(CCN3C(=O)NC4=CN=CC=C4)C=C21,c12cc3c(cc1CCN2C(=O)Nc4cnccc4)n(cc3)C,"InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)",QJQORSLQNXDVGE-UHFFFAOYSA-N
BMGC_DG10610,BMG_DG152289,CCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O,CCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O,"InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1",UQRORFVVSGFNRO-UTINFBMNSA-N
BMGC_DG10611,BMG_DG152290,,Nc1nc(ccn1)-c2n(cnc2-c3ccc(cc3)F)C4CCNCC4,,VSPFURGQAYMVAN-UHFFFAOYSA-N
BMGC_DG10612,BMG_DG152297,COC1=NC=CC(=N1)C2=C(N=CN2C3CCC(CC3)O)C4=CC=C(C=C4)F,O(c1nccc(-c2n([C@@H]3CC[C@@H](O)CC3)cnc2-c4ccc(F)cc4)n1)C,"InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3",ZQUSFAUAYSEREK-UHFFFAOYSA-N;ZQUSFAUAYSEREK-WKILWMFISA-N
BMGC_DG10613,BMG_DG152301,,S(=O)(=O)(c1ccc(N)cc1)c2ccccc2,,GDYFDXDATVPPDR-UHFFFAOYSA-N
BMGC_DG10614,BMG_DG152307,CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)N)C(=O)N2CCCC2C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(CC4=CC=CC=C4)N,,"InChI=1S/C54H76N14O10/c1-32(2)28-41(66-47(72)36(55)29-33-14-6-3-7-15-33)50(75)67-42(31-35-18-10-5-11-19-35)51(76)64-39(23-25-45(57)70)53(78)68-27-13-21-43(68)52(77)63-38(22-24-44(56)69)49(74)62-37(20-12-26-61-54(59)60)48(73)65-40(46(58)71)30-34-16-8-4-9-17-34/h3-11,14-19,32,36-43H,12-13,20-31,55H2,1-2H3,(H2,56,69)(H2,57,70)(H2,58,71)(H,62,74)(H,63,77)(H,64,76)(H,65,73)(H,66,72)(H,67,75)(H4,59,60,61)",HWYCFZUSOBOBIN-UHFFFAOYSA-N
BMGC_DG10615,BMG_DG152316,C1C[C@H]([C@@H]2[C@@H]([C@@H](CN2C1)O)O)O,N12[C@@]([C@H](O)[C@@H](C1)O)([C@H](O)CCC2)[H],"InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1",FXUAIOOAOAVCGD-WCTZXXKLSA-N
BMGC_DG10616,BMG_DG152328,C(=O)(O)[O-].[Na+],C([O-])(=O)O.[Na+],"InChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1",UIIMBOGNXHQVGW-UHFFFAOYSA-M
BMGC_DG10617,BMG_DG152329,C(=O)(O)[O-].[K+],C([O-])(=O)O.[K+],"InChI=1S/CH2O3.K/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1",TYJJADVDDVDEDZ-UHFFFAOYSA-M
BMGC_DG10618,BMG_DG152333,[O-]Cl(=O)(=O)=O.[K+],Cl([O-])(=O)(=O)=O.[K+],"InChI=1S/ClHO4.K/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",YLMGFJXSLBMXHK-UHFFFAOYSA-M
BMGC_DG10619,BMG_DG152335,,,,
BMGC_DG10620,BMG_DG152342,O.OP(=O)(O)[O-].[Na+],P([O-])(=O)(O)O.[Na+].O,"InChI=1S/Na.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/q+1;;/p-1",BBMHARZCALWXSL-UHFFFAOYSA-M
BMGC_DG10621,BMG_DG152344,OP(=O)(O)[O-].[K+],P([O-])(=O)(O)O.[K+],"InChI=1S/K.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1",GNSKLFRGEWLPPA-UHFFFAOYSA-M
BMGC_DG10622,BMG_DG152354,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC3=NON=C32)C(=O)OCC)C)C,C=1(C(C(C(=O)OCC)=C(NC1C)C)c2c3c(non3)ccc2)C(=O)OCC,"InChI=1S/C19H21N3O5/c1-5-25-18(23)14-10(3)20-11(4)15(19(24)26-6-2)16(14)12-8-7-9-13-17(12)22-27-21-13/h7-9,16,20H,5-6H2,1-4H3",QERUYFVNIOLCHV-UHFFFAOYSA-N
BMGC_DG10623,BMG_DG152361,CC(=O)[O-].[K+],C([O-])(=O)C.[K+],"InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",SCVFZCLFOSHCOH-UHFFFAOYSA-M
BMGC_DG10624,BMG_DG152362,CC(=O)[O-].[Na+],C([O-])(=O)C.[Na+],"InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",VMHLLURERBWHNL-UHFFFAOYSA-M
BMGC_DG10625,BMG_DG152364,C1=CC=C(C=C1)C(=O)[O-].[Na+],C([O-])(=O)c1ccccc1.[Na+],"InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1",WXMKPNITSTVMEF-UHFFFAOYSA-M
BMGC_DG10626,BMG_DG152373,,,,
BMGC_DG10627,BMG_DG152380,CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C,N1(C(CCC1)=O)CC(=O)NCCN(C(C)C)C(C)C,"InChI=1S/C14H27N3O2/c1-11(2)17(12(3)4)9-7-15-13(18)10-16-8-5-6-14(16)19/h11-12H,5-10H2,1-4H3,(H,15,18)",ZULJGOSFKWFVRX-UHFFFAOYSA-N
BMGC_DG10628,BMG_DG152389,C1CC1CN2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F,Fc1ccc(cc1)-c2c(-c3nc(ncc3)N)n(cn2)CC4CC4,"InChI=1S/C17H16FN5/c18-13-5-3-12(4-6-13)15-16(14-7-8-20-17(19)22-14)23(10-21-15)9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H2,19,20,22)",DFEYXQGDDCDXJK-UHFFFAOYSA-N
BMGC_DG10629,BMG_DG152395,,n1c(sc(n1C)=N)S(=O)(N)=O,,BWSMJWLWXNCHHP-UHFFFAOYSA-N
BMGC_DG10630,BMG_DG152430,C1=CC=C(C=C1)SC2=CC=C(C=C2)COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl,c1(ccc(cc1Cl)Cl)C(Cn2ccnc2)OCc3ccc(Sc4ccccc4)cc3,"InChI=1S/C24H20Cl2N2OS/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-14,17,24H,15-16H2",ZCJYUTQZBAIHBS-UHFFFAOYSA-N
BMGC_DG10631,BMG_DG152469,CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4,,"InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3",STECJAGHUSJQJN-UHFFFAOYSA-N
BMGC_DG10632,BMG_DG152476,C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCCCC(=O)NO,c12cccc3c2c(ccc3)C(N(C1=O)CCCCCC(NO)=O)=O,"InChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)",JTDYUFSDZATMKU-UHFFFAOYSA-N
BMGC_DG10633,BMG_DG152484,O=[Fe]O[Fe]=O,,InChI=1S/2Fe.3O,JEIPFZHSYJVQDO-UHFFFAOYSA-N
BMGC_DG10634,BMG_DG152509,CCCC(C)(C1CC23C=CC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)C)OC)O,,"InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3",CAHCBJPUTCKATP-UHFFFAOYSA-N
BMGC_DG10635,BMG_DG152513,C1CN(CCN1CC(COC2=CC=CC3=C2C=C(N3)C#N)O)C(C4=CC=CC=C4)C5=CC=CC=C5,c12c([nH]c(c1)C#N)cccc2OCC(CN3CCN(CC3)C(c4ccccc4)c5ccccc5)O,"InChI=1S/C29H30N4O2/c30-19-24-18-26-27(31-24)12-7-13-28(26)35-21-25(34)20-32-14-16-33(17-15-32)29(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,18,25,29,31,34H,14-17,20-21H2",BYBYHCOEAFHGJL-UHFFFAOYSA-N
BMGC_DG10636,BMG_DG152521,CCN(CC)CCOC(=O)C1=CC(=C(C=C1OC)N)Cl,,"InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3",FFNWMBDISAYHDC-UHFFFAOYSA-N
BMGC_DG10637,BMG_DG152529,C(CCCCC(=O)O)CCCC(=O)O,C(=O)(O)CCCCCCCCC(=O)O,"InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)",CXMXRPHRNRROMY-UHFFFAOYSA-N
BMGC_DG10638,BMG_DG152539,CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C,C1(C(C(=O)NC(N1)=O)(C(CCC)C)CC=C)=O,"InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)",KQPKPCNLIDLUMF-UHFFFAOYSA-N
BMGC_DG10639,BMG_DG152540,,C(CCC)(=O)Nc1sc(nn1)S(=O)(=O)N,,HZIYHIRJHYIRQO-UHFFFAOYSA-N
BMGC_DG10640,BMG_DG152560,CC(CC1=CC=CC=C1)N(C)CC#C,C(#C)CN(C(Cc1ccccc1)C)C,"InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3",MEZLKOACVSPNER-UHFFFAOYSA-N
BMGC_DG10641,BMG_DG152589,CC1CCC(CC1)NC(=O)N(CCCl)N=O,C(N(N=O)CCCl)(N[C@H]1CC[C@@H](CC1)C)=O;C(N(N=O)CCCl)(N[C@@H]1CC[C@@H](CC1)C)=O,"InChI=1S/C10H18ClN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15)",FVLVBPDQNARYJU-KYZUINATSA-N;FVLVBPDQNARYJU-UHFFFAOYSA-N;FVLVBPDQNARYJU-DTORHVGOSA-N
BMGC_DG10642,BMG_DG152597,,C(OC)(=O)c1c(O)cccc1O,,WCQZCKUNZVMBDC-UHFFFAOYSA-N
BMGC_DG10643,BMG_DG152602,C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O,,"InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)",IPQVTOJGNYVQEO-UHFFFAOYSA-N
BMGC_DG10644,BMG_DG152616,,NC(=O)c1cc2ccccc2nc1N,,GXZOXGRLLFZVGF-UHFFFAOYSA-N
BMGC_DG10645,BMG_DG152625,,o1c2c(cccc2OC)ccc1=O,,ODRDTKMYQDXVGG-UHFFFAOYSA-N
BMGC_DG10646,BMG_DG152633,C1=CC2=C(C=C1O)C(=CN2)CCN,c1cc2c(cc1O)c(CCN)c[nH]2,"InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2",QZAYGJVTTNCVMB-UHFFFAOYSA-N
BMGC_DG10647,BMG_DG152635,C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3F,c1c([N+](=O)[O-])cc2C(c3ccccc3F)=NCC(=O)Nc2c1,"InChI=1S/C15H10FN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)",KNGIGRDYBQPXKQ-UHFFFAOYSA-N
BMGC_DG10648,BMG_DG152669,CN1CCC2=C(C1)C3=CC=CC=C3CC4=CC=CC=C24,c1cc2c(Cc3ccccc3C4=C2CCN(C4)C)cc1,"InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3",GVPIXRLYKVFFMK-UHFFFAOYSA-N
BMGC_DG10649,BMG_DG152677,C(OC(C(F)(F)F)C(F)(F)F)F,C(C(C(F)(F)F)OCF)(F)(F)F,"InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2",DFEYYRMXOJXZRJ-UHFFFAOYSA-N
BMGC_DG10650,BMG_DG152692,CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C,,"InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3",NEZONWMXZKDMKF-UHFFFAOYSA-N
BMGC_DG10651,BMG_DG152715,CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C,C1(C(N(C)C)CC(C)C)(c2ccc(cc2)Cl)CCC1,"InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3",UNAANXDKBXWMLN-UHFFFAOYSA-N
BMGC_DG10652,BMG_DG152726,,S(Sc1c(ccc2ccccc12)O)c3c(ccc4ccccc34)O,,RFAXLXKIAKIUDT-UHFFFAOYSA-N
BMGC_DG10653,BMG_DG152730,,,,
BMGC_DG10654,BMG_DG152755,,NS(=O)(=O)c1ccc(N=C=S)cc1,,IMDUFDNFSJWYQT-UHFFFAOYSA-N
BMGC_DG10655,BMG_DG152759,C1=CN=C(N=C1)[NH2+]S(=[OH+])(=O)C2=CC=C(C=C2)N.[Ag+],,"InChI=1S/C10H10N4O2S.Ag/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2,(H,12,13,14,15,16);/q;+1/p+2",GOYDASFKHSBSBH-UHFFFAOYSA-P
BMGC_DG10656,BMG_DG152764,C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N,S(Nc1ncccn1)(c2ccc(cc2)N)(=O)=O,"InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)",SEEPANYCNGTZFQ-UHFFFAOYSA-N
BMGC_DG10657,BMG_DG152771,CC(C)(C(=O)OCCCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl,C(=O)(OCCCOC(C(C)(C)Oc1ccc(cc1)Cl)=O)C(Oc2ccc(cc2)Cl)(C)C,"InChI=1S/C23H26Cl2O6/c1-22(2,30-18-10-6-16(24)7-11-18)20(26)28-14-5-15-29-21(27)23(3,4)31-19-12-8-17(25)9-13-19/h6-13H,5,14-15H2,1-4H3",JLRNKCZRCMIVKA-UHFFFAOYSA-N
BMGC_DG10658,BMG_DG152782,C1COCCN1[N+]2=CC(=N)O[N-]2,c1(on[n+](N2CCOCC2)c1)[NH-],"InChI=1S/C6H10N4O2/c7-6-5-10(8-12-6)9-1-3-11-4-2-9/h5,7H,1-4H2",FKDHHVKWGRFRTG-UHFFFAOYSA-N
BMGC_DG10659,BMG_DG152791,CC(C)NCCCC1(C2=CC=CC=C2C3=CC=CC=C31)C(=O)N,C1(c2c(cccc2)-c3c1cccc3)(C(=O)N)CCCNC(C)C,"InChI=1S/C20H24N2O/c1-14(2)22-13-7-12-20(19(21)23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,14,22H,7,12-13H2,1-2H3,(H2,21,23)",UCEWGESNIULAGX-UHFFFAOYSA-N
BMGC_DG10660,BMG_DG152812,,,,
BMGC_DG10661,BMG_DG152837,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+],[Na+].Cc1c(c(n(n1C)-c2ccccc2)=O)N(C)CS([O-])(=O)=O,"InChI=1S/C13H17N3O4S.Na/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h4-8H,9H2,1-3H3,(H,18,19,20);/q;+1/p-1",DJGAAPFSPWAYTJ-UHFFFAOYSA-M
BMGC_DG10662,BMG_DG152856,,c12c(ccc(c1)S(N)(=O)=O)CCNC2,,UGLLZXSYRBMNOS-UHFFFAOYSA-N
BMGC_DG10663,BMG_DG152873,CN(C)CCCCSC(=N)N,NC(=N)SCCCCN(C)C,"InChI=1S/C7H17N3S/c1-10(2)5-3-4-6-11-7(8)9/h3-6H2,1-2H3,(H3,8,9)",UFYJLJINUGVUHO-UHFFFAOYSA-N
BMGC_DG10664,BMG_DG152883,C1CSC2=NC(=C(N21)C3=CC=NC=C3)C4=CC=C(C=C4)F,n1c2n(CCS2)c(c1-c3ccc(cc3)F)-c4ccncc4,"InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2",YOELZIQOLWZLQC-UHFFFAOYSA-N
BMGC_DG10665,BMG_DG152922,[Na+].[Cl-],[Cl-].[Na+],InChI=1S/ClH.Na/h1H;/q;+1/p-1,FAPWRFPIFSIZLT-UHFFFAOYSA-M
BMGC_DG10666,BMG_DG152926,[F-].[Na+],[F-].[Na+],InChI=1S/FH.Na/h1H;/q;+1/p-1,PUZPDOWCWNUUKD-UHFFFAOYSA-M
BMGC_DG10667,BMG_DG152937,,N(c1c2c(ccc([N+]([O-])=O)c2)ncc1)c3cc([N+]([O-])=O)c(C(Nc4ccc(Nc5ccncc5)cc4)=O)cc3,,YUOOWNPVFAMPNZ-UHFFFAOYSA-N
BMGC_DG10668,BMG_DG152939,,c1(cc(c(cc1)Cl)Cl)CC(=O)OCCN2CCCC2,,CYVORFBBJKNNDO-UHFFFAOYSA-N
BMGC_DG10669,BMG_DG152945,[Na+].[I-],[I-].[Na+],InChI=1S/HI.Na/h1H;/q;+1/p-1,FVAUCKIRQBBSSJ-UHFFFAOYSA-M
BMGC_DG10670,BMG_DG152952,C(C(=O)C(=O)O)(C(=O)O)O,,"InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)",RMHHUKGVZFVHED-UHFFFAOYSA-N
BMGC_DG10671,BMG_DG152957,CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)O)I)I,c1(c(c(CCC(=O)O)c(cc1I)I)I)N=CN(C)C,"InChI=1S/C12H13I3N2O2/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19/h5-6H,3-4H2,1-2H3,(H,18,19)",YQNFBOJPTAXAKV-UHFFFAOYSA-N
BMGC_DG10672,BMG_DG152962,CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCC,,"InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3",FNPXMHRZILFCKX-UHFFFAOYSA-N
BMGC_DG10673,BMG_DG152970,C1=CC=NC(=C1)C(C2=CC=C(C=C2)OS(=O)(=O)O)C3=CC=C(C=C3)OS(=O)(=O)O,O=S(=O)(O)Oc1ccc(cc1)C(c2ccccn2)c3ccc(cc3)OS(=O)(=O)O,"InChI=1S/C18H15NO8S2/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25/h1-12,18H,(H,20,21,22)(H,23,24,25)",UJIDKYTZIQTXPM-UHFFFAOYSA-N
BMGC_DG10674,BMG_DG152975,C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O,C(P(O)(=O)O)(P(=O)(O)O)(Cc1cnccc1)O,"InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)",IIDJRNMFWXDHID-UHFFFAOYSA-N
BMGC_DG10675,BMG_DG152976,C1=CC(=CC2=C1C=CN2)O,Oc1ccc2cc[nH]c2c1,"InChI=1S/C8H7NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1-5,9-10H",XAWPKHNOFIWWNZ-UHFFFAOYSA-N
BMGC_DG10676,BMG_DG152978,[SH-].[SH-].S=[Mo]=S,S=[Mo]([S-])(=S)[S-],InChI=1S/Mo.2H2S.2S/h;2*1H2;;/p-2,CXVCSRUYMINUSF-UHFFFAOYSA-N;VVRHUOPINLMZBL-UHFFFAOYSA-L
BMGC_DG10677,BMG_DG152981,CC(C)(C(=O)[O-])[NH3+],,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",FUOOLUPWFVMBKG-UHFFFAOYSA-N
BMGC_DG10678,BMG_DG152989,CCCCCCCCCCCCCCOS(=O)(=O)O,C(CCCCCCCCCCCC)COS(O)(=O)=O,"InChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H,15,16,17)",URLJMZWTXZTZRR-UHFFFAOYSA-N
BMGC_DG10679,BMG_DG153002,C(C(C(=O)O)O)C(=O)O,C(C(=O)O)C(C(=O)O)O,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)",BJEPYKJPYRNKOW-UHFFFAOYSA-N
BMGC_DG10680,BMG_DG153013,CNC(=S)NCO,C(NCO)(NC)=S,"InChI=1S/C3H8N2OS/c1-4-3(7)5-2-6/h6H,2H2,1H3,(H2,4,5,7)",JLMHZVYLAQPMOZ-UHFFFAOYSA-N
BMGC_DG10681,BMG_DG153016,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O,S(Nc1ccc(cc1)C(CNC(C)C)O)(=O)(=O)C,"InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3",ZBMZVLHSJCTVON-UHFFFAOYSA-N
BMGC_DG10682,BMG_DG153101,C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F,C12(N(c3ccccc3)CNC1=O)CCN(CCCC(c4ccc(F)cc4)=O)CC2,"InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)",DKGZKTPJOSAWFA-UHFFFAOYSA-N
BMGC_DG10683,BMG_DG153116,C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CC4COC5=CC=CC=C5O4,C12(CCN(CC3COc4ccccc4O3)CC1)N(CNC2=O)c5ccccc5,"InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)",JVGBTTIJPBFLTE-UHFFFAOYSA-N
BMGC_DG10684,BMG_DG153141,C1CC1(CN2C=NC3=CN=C(N=C32)N)OCP(=O)(O)O,OP(COC1(Cn2c3c(nc2)cnc(N)n3)CC1)(O)=O,"InChI=1S/C10H14N5O4P/c11-9-12-3-7-8(14-9)15(5-13-7)4-10(1-2-10)19-6-20(16,17)18/h3,5H,1-2,4,6H2,(H2,11,12,14)(H2,16,17,18)",KDNSSKPZBDNJDF-UHFFFAOYSA-N
BMGC_DG10685,BMG_DG153161,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O,Oc1ccc(-c2oc3c(c(O)cc(c3-c4c(OC)ccc(c4)-c5oc6cc(OC)cc(c6c(c5)=O)O)O)c(c2)=O)cc1,"InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-36H,1-2H3",AIFCFBUSLAEIBR-UHFFFAOYSA-N
BMGC_DG10686,BMG_DG153187,,c1(cc(c2c(o1)cc(cc2O)OC)=O)-c3cc(c(cc3)OC)OC,,HIXDQWDOVZUNNA-UHFFFAOYSA-N
BMGC_DG10687,BMG_DG153195,,,,
BMGC_DG10688,BMG_DG153202,,O(CCc1cc(O)c(O)cc1)[C@@H]2O[C@H](COC(/C=C/c3cc(O)c(O)cc3)=O)[C@@H](O)[C@H](O)[C@H]2O,,LFKQVVDFNHDYNK-FOXCETOMSA-N
BMGC_DG10689,BMG_DG153203,,O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)c2c(O)c(OC)cc3ccc(=O)oc32,,CRSFLLTWRCYNNX-QBNNUVSCSA-N
BMGC_DG10690,BMG_DG153204,COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)O,O=c1oc2c(cc(c(c2O)O)OC)cc1,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",HAVWRBANWNTOJX-UHFFFAOYSA-N
BMGC_DG10691,BMG_DG153209,C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO.C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N,,"InChI=1S/C14H18N6O.C8H11N3O3S/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);1-2,6-7,12H,3-4H2,(H2,9,10,13)/t8-,10+;6-,7+/m10/s1",UGWQMIXVUBLMAH-IVVFTGHFSA-N
BMGC_DG10692,BMG_DG153219,CC(=CCC/C(=C/CNCCNC1C2CC3CC(C2)CC1C3)/C)C,C12C(C3CC(C1)CC(C2)C3)NCCNC/C=C(/CCC=C(C)C)\C,"InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7+",JFIBVDBTCDTBRH-REZTVBANSA-N
BMGC_DG10693,BMG_DG153222,,Oc1c2c(cc(c1)O)oc(c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c2=O)-c4cc(c(O)cc4)O,,DUBCCGAQYVUYEU-ZUGPOPFOSA-N
BMGC_DG10694,BMG_DG153237,CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O,,"InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3",BCIWKKMTBRYQJU-UHFFFAOYSA-N
BMGC_DG10695,BMG_DG153238,CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O,,"InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3",AIULWNKTYPZYAN-UHFFFAOYSA-N
BMGC_DG10696,BMG_DG153247,,,,
BMGC_DG10697,BMG_DG153248,,,,
BMGC_DG10698,BMG_DG153251,CC1=CC(=C(C=C1)NCCCN)[N+](=O)[O-],Cc1ccc(c(c1)[N+](=O)[O-])NCCCN,"InChI=1S/C10H15N3O2/c1-8-3-4-9(12-6-2-5-11)10(7-8)13(14)15/h3-4,7,12H,2,5-6,11H2,1H3",FKZUPMCBVURANR-UHFFFAOYSA-N
BMGC_DG10699,BMG_DG153252,C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,C(c1cc(c(c(c1)O)O)O)(=O)O[C@@H]2[C@H](Oc3c(C2)c(cc(c3)O)O)c4cc(c(c(c4)O)O)O,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m0/s1",WMBWREPUVVBILR-GHTZIAJQSA-N
BMGC_DG10700,BMG_DG153258,,c12ccc(Cl)cc1oc3ccccc32,,BBOZMMAURMEVAR-UHFFFAOYSA-N
BMGC_DG10701,BMG_DG153259,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O,c1(cc2n(cc(c(c2cc1Cc3c(c(ccc3)Cl)F)=O)C(O)=O)[C@H](CO)C(C)C)OC,"InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1",JUZYLCPPVHEVSV-LJQANCHMSA-N
BMGC_DG10702,BMG_DG153261,,O=P(O)(O)C(Cn1cnc2ccccc12)P(=O)(O)O,,ISSICOMKRRPVPD-UHFFFAOYSA-N
BMGC_DG10703,BMG_DG153267,,c1(cc(cc(o1)-c2cccc3Sc4ccccc4Sc32)=O)N5CCOCC5,,XRKYMMUGXMWDAO-UHFFFAOYSA-N
BMGC_DG10704,BMG_DG153277,CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC,,"InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)",HKSZLNNOFSGOKW-UHFFFAOYSA-N
BMGC_DG10705,BMG_DG153288,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O,[C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)(N)CO,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1",WWUZIQQURGPMPG-KRWOKUGFSA-N
BMGC_DG10706,BMG_DG153291,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O,c1(c(oc2c(c1=O)c(cc(O)c2)O)-c3cc(O)c(cc3)O)O,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",REFJWTPEDVJJIY-UHFFFAOYSA-N
BMGC_DG10707,BMG_DG153293,CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CCC=C(C)C,C1(=O)C(C)=C(C/C=C(/CCC=C(C)C)\C)C(C(=C1OC)OC)=O,"InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+",SQQWBSBBCSFQGC-JLHYYAGUSA-N
BMGC_DG10708,BMG_DG153294,CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/C=C\4/C(=C(C(=O)N4)C=C)C,C=CC\1=C(C)C(=O)N/C1=C\c2c(C)c(CCC(=O)O)c(Cc3c(CCC(=O)O)c(C)c(/C=C\4/C(=C(C=C)C(=O)N4)C)[nH]3)[nH]2,"InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-",BPYKTIZUTYGOLE-IFADSCNNSA-N
BMGC_DG10709,BMG_DG153295,CC\1=C(/C(=C/C2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/N/C1=C\C4=NC(=O)C(=C4C)C=C)CCC(=O)O,C(\c1c(CCC(O)=O)c(C)c(/C=C\2/C(C=C)=C(C)C(=O)N2)[nH]1)=C3/C(CCC(O)=O)=C(C)C(/C=C\4/C(C)=C(C=C)C(=O)N4)=N3,"InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13-,27-14-,28-15-",RCNSAJSGRJSBKK-NSQVQWHSSA-N;QBUVFDKTZJNUPP-BBROENKCSA-N
BMGC_DG10710,BMG_DG153297,CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O,C1(C[C@@H](O)[C@@H]([C@H]1C/C=C\CCCC(=O)O)/C=C/[C@@H](O)CCCCC)=O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1",XEYBRNLFEZDVAW-ARSRFYASSA-N
BMGC_DG10711,BMG_DG153300,CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O,[C@@H]1(/C=C/[C@@H](O)CCCCC)[C@H]([C@@H](O)C[C@H]1O)C/C=C\CCCC(=O)O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1",PXGPLTODNUVGFL-YNNPMVKQSA-N
BMGC_DG10712,BMG_DG153303,C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O,o1ccc2c1cc3oc(=O)ccc3c2O,"InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H",GIJHDGJRTUSBJR-UHFFFAOYSA-N
BMGC_DG10713,BMG_DG153305,COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O,c1c(cc2c(c1O)c(c(-c3ccc(cc3)OC)co2)=O)O,"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3",WUADCCWRTIWANL-UHFFFAOYSA-N
BMGC_DG10714,BMG_DG153307,COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O,c1cc(OC)ccc1-c2coc3cc(O)ccc3c2=O,"InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3",HKQYGTCOTHHOMP-UHFFFAOYSA-N
BMGC_DG10715,BMG_DG153310,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C\CO)\C)/C,,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6-,12-11+,16-8+,17-13+",FPIPGXGPPPQFEQ-IOUUIBBYSA-N
BMGC_DG10716,BMG_DG153311,CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1[C@@H](O1)CCCC(=O)O,O1[C@@H](/C=C/C=C/C=C\C/C=C\CCCCC)[C@@H]1CCCC(O)=O,"InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1",UFPQIRYSPUYQHK-WAQVJNLQSA-N
BMGC_DG10717,BMG_DG153315,C(C(=O)CC(=O)O)C(=O)/C=C\C(=O)O,O=C(O)/C=C\C(=O)CC(=O)CC(=O)O,"InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1-",GACSIVHAIFQKTC-UPHRSURJSA-N
BMGC_DG10718,BMG_DG153317,C(C(=O)CC(=O)O)C(=O)/C=C/C(=O)O,C(CC(/C=C/C(O)=O)=O)(CC(O)=O)=O,"InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1+",GACSIVHAIFQKTC-OWOJBTEDSA-N
BMGC_DG10719,BMG_DG153322,COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O,c1(c(oc2c(c1=O)c(cc(OC)c2)O)-c3cc(O)c(cc3)O)OC,"InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3",LUJAXSNNYBCFEE-UHFFFAOYSA-N
BMGC_DG10720,BMG_DG153323,CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=CCCCC(=O)O)O2)O)O,,"InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8?/t14-,16+,17+,18+,19-/m0/s1",KAQKFAOMNZTLHT-VVUHWYTRSA-N
BMGC_DG10721,BMG_DG153324,C[C@@H](CCC[C@@H](C)CCC/C(=C/CO)/C)CCCC(C)C,C(=C/CO)(\CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)/C,"InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1",BOTWFXYSPFMFNR-PYDDKJGSSA-N
BMGC_DG10722,BMG_DG153325,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)C(F)(F)F,C(F)(F)(F)C(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,"InChI=1S/C21H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21(22,23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-",PLWROONZUDKYKG-DOFZRALJSA-N
BMGC_DG10723,BMG_DG153327,CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC,[C@]1([C@@H]([C@H]([C@H](O[C@]2(C[C@]([C@@H](O)[C@@H](O2)C)(O)C)[H])[C@H](O1)C)N(C)C)O)(O[C@@H]3[C@H]([C@@H](CC(O[C@@H]([C@@H](CO[C@H]4[C@@H]([C@H](OC)[C@@H]([C@H](O4)C)O)OC)/C=C(/C=C/C([C@@H](C[C@@H]3CC=O)C)=O)\C)CC)=O)O)C)[H],"InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1",WBPYTXDJUQJLPQ-VMXQISHHSA-N
BMGC_DG10724,BMG_DG153328,,c1(c2c(c(=O)cc(o2)-c3ccc(cc3)O)c(cc1O)O)[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O,,SGEWCQFRYRRZDC-VPRICQMDSA-N
BMGC_DG10725,BMG_DG153329,,c12c(oc(-c3ccc(OC)cc3)cc1=O)cc(O)cc2O,,DANYIYRPLHHOCZ-UHFFFAOYSA-N
BMGC_DG10726,BMG_DG153330,C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O,c12c(oc(-c3ccc(O)cc3)cc1=O)cc(O)cc2O,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",KZNIFHPLKGYRTM-UHFFFAOYSA-N
BMGC_DG10727,BMG_DG153331,C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O,c12c(c(cc(o1)-c3cc(c(O)cc3)O)=O)c(cc(c2)O)O,"InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H",IQPNAANSBPBGFQ-UHFFFAOYSA-N
BMGC_DG10728,BMG_DG153333,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C(CCCCCCC/C=C\C/C=C\CCCCC)(O)=O,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",OYHQOLUKZRVURQ-HZJYTTRNSA-N
BMGC_DG10729,BMG_DG153335,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,[C@]12([C@](/C(=C/C=C/3\C([C@@H](O)C[C@@H](C3)O)=C)/CCC1)(CC[C@@]2([C@@H](CCCC(O)(C)C)C)[H])[H])C,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1",GMRQFYUYWCNGIN-NKMMMXOESA-N
BMGC_DG10730,BMG_DG153337,C1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)O)O,c1(cc(cc(c1)/C=C/c2ccccc2)O)O,"InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+",YCVPRTHEGLPYPB-VOTSOKGWSA-N
BMGC_DG10731,BMG_DG153338,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N)O,O(C[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)N)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1",HHJTWTPUPVQKNA-PIIMIWFASA-N
BMGC_DG10732,BMG_DG153339,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O,c1(c(c(c2c(cc(cc2o1)O)O)=O)O[C@H]3[C@@H]([C@@H]([C@@H](O)[C@@H](O3)C)O)O)-c4cc(c(O)cc4)O,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",OXGUCUVFOIWWQJ-HQBVPOQASA-N
BMGC_DG10733,BMG_DG153340,COC1=C(C=C2C(=C1)C=CC(=O)O2)O,c12c(cc(O)c(c1)OC)oc(=O)cc2,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",RODXRVNMMDRFIK-UHFFFAOYSA-N
BMGC_DG10734,BMG_DG153341,CC1=CC(=O)CC([C@]1(/C=C/[C@@H](C)O)O)(C)C,C1C(C)(C)[C@@](O)(/C=C/[C@@H](C)O)C(C)=CC1=O,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",KPQMCAKZRXOZLB-KOIHBYQTSA-N
BMGC_DG10735,BMG_DG153347,CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C,,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",MBWXNTAXLNYFJB-LKUDQCMESA-N
BMGC_DG10736,BMG_DG153349,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C,C1(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C)=C(CCCC1(C)C)C,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",OENHQHLEOONYIE-JLTXGRSLSA-N
BMGC_DG10737,BMG_DG153352,CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O,C(=C\C=C\C=C\[C@@H](C/C=C\CCCCC)O)\[C@H](CCCC(O)=O)O,"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1",VNYSSYRCGWBHLG-AMOLWHMGSA-N
BMGC_DG10738,BMG_DG153353,CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,C(\CCCCC)=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](C(NCC(=O)O)=O)NC(CC[C@@H](C(=O)O)N)=O)[C@@H](O)CCCC(=O)O,"InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1",GWNVDXQDILPJIG-NXOLIXFESA-N
BMGC_DG10739,BMG_DG153354,CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@@H]2C[C@@H](O2)O1)C/C=C\CCCC(=O)O)O,C([C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)O[C@@H]2O[C@H]1C2)/C=C\CCCC(=O)O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1",DSNBHJFQCNUKMA-SCKDECHMSA-N
BMGC_DG10740,BMG_DG153357,C(C(=O)/C=C\C(=O)O)C(=O)O,O=C(O)/C=C\C(=O)CC(=O)O,"InChI=1S/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-2H,3H2,(H,8,9)(H,10,11)/b2-1-",SOXXPQLIZIPMIZ-UPHRSURJSA-N
BMGC_DG10741,BMG_DG153360,COC1=CC(=CC(=C1O)OC)/C=C/CO,c1(c(cc(cc1OC)/C=C/CO)OC)O,"InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+",LZFOPEXOUVTGJS-ONEGZZNKSA-N
BMGC_DG10742,BMG_DG153368,CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C,C1(/C=C/C(=C/C=C/C(=C/COC(=O)CCCCCCCCCCCCCCC)/C)/C)=C(CCCC1(C)C)C,"InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+",VYGQUTWHTHXGQB-FFHKNEKCSA-N
BMGC_DG10743,BMG_DG153370,C1=CC(=CC=C1/C=C/CO)O,Oc1ccc(/C=C/CO)cc1,"InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+",PTNLHDGQWUGONS-OWOJBTEDSA-N
BMGC_DG10744,BMG_DG153371,COC1=C(C=CC(=C1)/C=C/C=O)O,c1(cc(OC)c(O)cc1)/C=C/C=O,"InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+",DKZBBWMURDFHNE-NSCUHMNNSA-N
BMGC_DG10745,BMG_DG153380,CC1=CC(=O)OC2=C1C=CC(=C2)O,c12oc(=O)cc(c1ccc(c2)O)C,"InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3",HSHNITRMYYLLCV-UHFFFAOYSA-N
BMGC_DG10746,BMG_DG153381,C1=CC(=C(C2=C1C=CC(=O)O2)O)O,c12c(ccc(c1O)O)ccc(o2)=O,"InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H",ATEFPOUAMCWAQS-UHFFFAOYSA-N
BMGC_DG10747,BMG_DG153383,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O,C(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(=O)O,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-",HOBAELRKJCKHQD-QNEBEIHSSA-N
BMGC_DG10748,BMG_DG153385,CC1=C(C2=CC=CC=C2C(=C1C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)O,Oc1c(C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(C)c(O)c2ccccc21,"InChI=1S/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24,32-33H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",BUFJIHPUGZHTHL-NKFFZRIASA-N
BMGC_DG10749,BMG_DG153390,CC(=CCC/C(=C/CC/C(=C/C=O)/C)/C)C,O=C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C,"InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11+",YHRUHBBTQZKMEX-YFVJMOTDSA-N
BMGC_DG10750,BMG_DG153391,,O=c1c2c(oc(c1)-c3cc(O)c(cc3)O)cc(cc2O)O[C@@H]4O[C@H](C(O)=O)[C@H]([C@@H]([C@H]4O)O)O,,VSUOKLTVXQRUSG-ZFORQUDYSA-N
BMGC_DG10751,BMG_DG153401,,O[C@]1(C[C@H]([C@H]([C@@H](C1)O)O)OC(/C=C/c2cc(c(cc2)O)O)=O)C(O)=O,,CWVRJTMFETXNAD-NXLLHMKUSA-N
BMGC_DG10752,BMG_DG153403,C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O,c1(cc(c2c(o1)cc(cc2O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)=O)-c4cc(c(cc4)O)O,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",PEFNSGRTCBGNAN-QNDFHXLGSA-N
BMGC_DG10753,BMG_DG153406,,c1(c(c(c2c(o1)c(c(cc2O)O)O)=O)O)-c3cc(c(cc3)O)O,,YRRAGUMVDQQZIY-UHFFFAOYSA-N
BMGC_DG10754,BMG_DG153416,COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O,o1c(-c2ccc(O)c(OC)c2)cc(=O)c3c(O)cc(O)cc31,"InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3",SCZVLDHREVKTSH-UHFFFAOYSA-N
BMGC_DG10755,BMG_DG153423,,c1(c(oc2c(c1=O)c(cc(c2)O)O)-c3cc(O)c(cc3)O)OC,,WEPBGSIAWZTEJR-UHFFFAOYSA-N
BMGC_DG10756,BMG_DG153424,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)O,COc1c(cc(cc1)-c2c(c(=O)c3c(cc(cc3o2)OC)O)OC)O,"InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3",KPCRYSMUMBNTCK-UHFFFAOYSA-N
BMGC_DG10757,BMG_DG153432,CCCCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O,,"InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+",YGJTUEISKATQSM-USWFWKISSA-N
BMGC_DG10758,BMG_DG153433,C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,c12c(=O)cc(-c3ccc(O)cc3)oc1cc(cc2O)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",KMOUJOKENFFTPU-QNDFHXLGSA-N
BMGC_DG10759,BMG_DG153438,CCCCCC(=O)CC[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O,,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,19-/m1/s1",CUJMXIQZWPZMNQ-XYYGWQPLSA-N
BMGC_DG10760,BMG_DG153440,C\1=C(C(=O)O/C1=C/C(=O)O)Cl,,"InChI=1S/C6H3ClO4/c7-4-1-3(2-5(8)9)11-6(4)10/h1-2H,(H,8,9)/b3-2+",ADSGHWJRPOXXTD-NSCUHMNNSA-N
BMGC_DG10761,BMG_DG153441,CCCCCC(=O)/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O,C(O)(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C(=O)CCCCC,"InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,19-/m1/s1",YRTJDWROBKPZNV-KMXMBPPJSA-N
BMGC_DG10762,BMG_DG153442,CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,C(CCCCCCC/C=C\C=C\[C@H](CCCCC)OO)(=O)O,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",JDSRHVWSAMTSSN-IRQZEAMPSA-N
BMGC_DG10763,BMG_DG153444,CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O,C1(C[C@@H](O)[C@@H]([C@H]1CCCCCCC(=O)O)/C=C/[C@@H](O)CCCCC)=O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1",GMVPRGQOIOIIMI-DWKJAMRDSA-N
BMGC_DG10764,BMG_DG153445,CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)O,CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)O,"InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1",JSFATNQSLKRBCI-VAEKSGALSA-N
BMGC_DG10765,BMG_DG153448,CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)O,CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1",KGIJOOYOSFUGPC-JGKLHWIESA-N
BMGC_DG10766,BMG_DG153449,C(CC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O)CCO,,"InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1",PTJFJXLGRSTECQ-PSPARDEHSA-N
BMGC_DG10767,BMG_DG153450,,[C@]1([C@@H]([C@@](CO1)(O)CO)O)(O[C@H]2[C@H](Oc3cc4c(c(c3)O)c(=O)cc(-c5ccc(cc5)O)o4)O[C@@H]([C@H]([C@@H]2O)O)CO)[H],,NTDLXWMIWOECHG-YRCFQSNFSA-N
BMGC_DG10768,BMG_DG153452,CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,,"InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+",PMATZTZNYRCHOR-IMVLJIQESA-N
BMGC_DG10769,BMG_DG153453,CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O,C=1\C([C@@]2(O[C@](C[C@](OC(C[C@@H](C[C@@]3(C[C@@H](C([C@](C[C@@]4(C\C(\C[C@](\C1)(O4)[H])=C\C(=O)OC)[H])(O3)O)(C)C)OC(C)=O)[H])O)=O)([H])[C@H](O)C)(C/C(/[C@@H]2OC(/C=C/C=C/CCC)=O)=C\C(=O)OC)[H])O)(C)C,"InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1",MJQUEDHRCUIRLF-TVIXENOKSA-N
BMGC_DG10770,BMG_DG153454,C1=CC=C(C(=C1)/C=C/C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,OC[C@H]1O[C@@H](Oc2ccccc2/C=C/C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",GVRIYIMNJGULCZ-ZMKUSUEASA-N
BMGC_DG10771,BMG_DG153470,C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C,[C@]12([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CCC1)(CC[C@@]2([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H])C,"InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1",MECHNRXZTMCUDQ-RKHKHRCZSA-N
BMGC_DG10772,BMG_DG153471,CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C,[C@]12([C@]([C@]3([C@]([C@@]4(C(C[C@@H](O)CC4)=CC3)C)([H])CC1)[H])(CC[C@@]2([C@@H](/C=C/[C@H](C(C)C)CC)C)[H])[H])C,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",HCXVJBMSMIARIN-PHZDYDNGSA-N
BMGC_DG10773,BMG_DG153472,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C,[C@]12([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CCC1)(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H])C,"InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1",QYSXJUFSXHHAJI-YRZJJWOYSA-N
BMGC_DG10774,BMG_DG153477,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,Oc1ccc(cc1O)-c2oc3c(c(=O)c2O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc(O)c3,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",OVSQVDMCBVZWGM-QSOFNFLRSA-N
BMGC_DG10775,BMG_DG153478,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O,c1(O[C@H]2[C@@H]([C@@H](O)[C@@H]([C@H](O2)CO[C@]3([C@@H]([C@H](O)[C@H]([C@@H](O3)C)O)O)[H])O)O)c(oc4c(c(cc(O)c4)O)c1=O)-c5cc(O)c(cc5)O,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",IKGXIBQEEMLURG-NVPNHPEKSA-N
BMGC_DG10776,BMG_DG153479,CC1=C(NC(=C1CCC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)CC3=C(C(=C(N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)/C=C\6/C(=C(C(=O)N6)C=C)C,C/1(\NC(=O)C(=C1C=C)C)=C\c2[nH]c(Cc3[nH]c(/C=C/4\NC(=O)C(=C4C)C=C)c(c3CCC(O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)C(=O)O)=O)C)c(c2C)CCC(O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)C(=O)O)=O,"InChI=1S/C45H52N4O18/c1-7-20-19(6)40(58)49-27(20)14-25-18(5)23(10-12-31(51)65-45-37(57)33(53)35(55)39(67-45)43(62)63)29(47-25)15-28-22(17(4)24(46-28)13-26-16(3)21(8-2)41(59)48-26)9-11-30(50)64-44-36(56)32(52)34(54)38(66-44)42(60)61/h7-8,13-14,32-39,44-47,52-57H,1-2,9-12,15H2,3-6H3,(H,48,59)(H,49,58)(H,60,61)(H,62,63)/b26-13-,27-14-/t32-,33-,34-,35-,36+,37+,38-,39-,44+,45+/m0/s1",SCJLWMXOOYZBTH-BTVQFETGSA-N
BMGC_DG10777,BMG_DG153485,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=CC=CC=C1O)/C)/C)/C)/C)/C)/C)/C)C,,"InChI=1S/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-35+",VUNQJPPPTJIREN-CMAXTTDKSA-N
BMGC_DG10778,BMG_DG153494,COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O,,"InChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3",VJJZJBUCDWKPLC-UHFFFAOYSA-N
BMGC_DG10779,BMG_DG153495,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,c1(cc(c2c(c1)oc(c(c2=O)O)-c3ccc(cc3)O)O)O,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",IYRMWMYZSQPJKC-UHFFFAOYSA-N
BMGC_DG10780,BMG_DG153500,CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)N,C(\CCCCC)=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](C(NCC(=O)O)=O)N)[C@@H](O)CCCC(=O)O,"InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1",YEESKJGWJFYOOK-IJHYULJSSA-N
BMGC_DG10781,BMG_DG153501,CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N,C([C@H](CS[C@H](/C=C/C=C/C=C\C/C=C\CCCCC)[C@@H](O)CCCC(=O)O)N)(=O)O,"InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1",OTZRAYGBFWZKMX-FRFVZSDQSA-N
BMGC_DG10782,BMG_DG153503,CCCCC[C@@H](/C=C/C1=C(C(=O)CC1)C/C=C\CCCC(=O)O)O,C(O)(=O)CCC/C=C\CC1=C(/C=C/[C@@H](O)CCCCC)CCC1=O,"InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m0/s1",PRFXRIUZNKLRHM-HKVRTXJWSA-N
BMGC_DG10783,BMG_DG153505,CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)OO2)OO,O1[C@@H]2[C@H](C/C=C\CCCC(=O)O)[C@H]([C@H](O1)C2)/C=C/[C@H](CCCCC)OO,"InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1",SGUKUZOVHSFKPH-YNNPMVKQSA-N
BMGC_DG10784,BMG_DG153506,CCCCC[C@@H](/C=C/[C@@H]1[C@H](C=CC1=O)C/C=C\CCCC(=O)O)O,,"InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1",UQOQENZZLBSFKO-POPPZSFYSA-N
BMGC_DG10785,BMG_DG153517,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@H](CC2(C)C)O)C)\C)\C)/C)/C,C1(=C(C[C@H](CC1(C)C)O)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@H](CC2(C)C)O)C)\C)\C)/C)/C,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",JKQXZKUSFCKOGQ-QAYBQHTQSA-N
BMGC_DG10786,BMG_DG153521,CCCCC[C@@H](/C=C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)O)O,C(=O)(O)CCC[C@@H]([C@@H](/C=C/C=C/C=C\C=C\[C@@H](O)CCCCC)O)O,"InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1",IXAQOQZEOGMIQS-SSQFXEBMSA-N
BMGC_DG10787,BMG_DG153523,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,C(=O)(O)CCCC/C=C\C/C=C\C/C=C\CCCCC,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",VZCCETWTMQHEPK-QNEBEIHSSA-N
BMGC_DG10788,BMG_DG153524,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O,C(=O)(O)CCCCCCC/C=C\C/C=C\C/C=C\CC,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-",DTOSIQBPPRVQHS-PDBXOOCHSA-N
BMGC_DG10789,BMG_DG153530,,,,
BMGC_DG10790,BMG_DG153531,CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC,[nH]1c2c(ccc(c2)OC)c3c1c(ncc3)C,"InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3",BXNJHAXVSOCGBA-UHFFFAOYSA-N
BMGC_DG10791,BMG_DG153532,CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)/C=C/C6=CC(=C(C(=C6)OC)OC)OC,c12[nH]c3cc(OC)ccc3c1CCN4[C@@]2(C[C@@]5([C@@H]([C@@H](OC)[C@@H](C[C@]5([H])C4)OC(/C=C/c6cc(OC)c(c(c6)OC)OC)=O)C(=O)OC)[H])[H],"InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1",SZLZWPPUNLXJEA-QEGASFHISA-N
BMGC_DG10792,BMG_DG153533,C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2O)O)O)O,c1cc(ccc1/C=C/C(=O)c2c(cc(cc2O)O)O)O,"InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+",YQHMWTPYORBCMF-ZZXKWVIFSA-N
BMGC_DG10793,BMG_DG153534,C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O,c1(c2c(cc(cc2O)O)occ1-c3ccc(cc3)O)=O,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H",TZBJGXHYKVUXJN-UHFFFAOYSA-N
BMGC_DG10794,BMG_DG153535,C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O,[C@]12(O[C@](C[C@@H](O[C@]3([C@H]([C@@H](N)[C@@H]([C@H](O3)C)O)O)[H])/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(C[C@@H](C[C@@H](CC[C@H]([C@@H](C[C@@H](C1)O)O)O)O)O)=O)C)C)O)C)([H])[C@@H]([C@H](C2)O)C(=O)O)O,"InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1",APKFDSVGJQXUKY-INPOYWNPSA-N
BMGC_DG10795,BMG_DG153539,C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O,N12C(=O)C[C@]1(O\C(\[C@@H]2C(=O)O)=C/CO)[H],"InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1",HZZVJAQRINQKSD-PBFISZAISA-N
BMGC_DG10796,BMG_DG153544,CCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCC(=O)O,"InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)",QIQXTHQIDYTFRH-UHFFFAOYSA-N
BMGC_DG10797,BMG_DG153545,CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C,[C@@]12([C@@]3([C@@]([C@]4([C@]([C@@]5(C(=CC(=O)C=C5)CC4)C)([H])[C@H](C3)O)[H])([H])C[C@]1(OC(O2)CCC)[H])C)C(=O)CO,"InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1",VOVIALXJUBGFJZ-KWVAZRHASA-N
BMGC_DG10798,BMG_DG153546,C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O,S1[C@@]2([C@@H](C(N2C(=C(C1)/C=C/C)C(=O)O)=O)NC(=O)[C@H](N)c3ccc(cc3)O)[H],"InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/b3-2+/t12-,13-,17-/m1/s1",WDLWHQDACQUCJR-ZAMMOSSLSA-N
BMGC_DG10799,BMG_DG153554,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(C/C(=C/O)/C(=O)C4)C,[C@]12([C@@]3([C@]([C@@]4(CC[C@@]([C@]4(CC3)C)(O)C)[H])(CC[C@]1(CC(=O)\C(\C2)=C/O)[H])[H])[H])C,"InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15+,16-,17-,19-,20-,21-/m0/s1",ICMWWNHDUZJFDW-DHODBPELSA-N
BMGC_DG10800,BMG_DG153555,CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C,n1(-c2ccccc2)c(C)cc(c1C)/C=C/c3[n+](c4c(cc(cc4)N(C)C)cc3)C,"InChI=1S/C26H28N3/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5/h6-18H,1-5H3/q+1",QMHSXPLYMTVAMK-UHFFFAOYSA-N
BMGC_DG10801,BMG_DG153556,CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O,n1(c(\C=C(\C(=O)O)/Cc2sccc2)cnc1CCCC)Cc3ccc(C(=O)O)cc3,"InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+",OROAFUQRIXKEMV-LDADJPATSA-N
BMGC_DG10802,BMG_DG153557,CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O,n1c2cc(Cl)ccc2ccc1/C=C/c3cc([C@H](SCC4(CC4)CC(O)=O)CCc5c(C(O)(C)C)cccc5)ccc3,"InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1",UCHDWCPVSPXUMX-TZIWLTJVSA-N
BMGC_DG10803,BMG_DG153558,C[N+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C,,"InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59?,60?/m1/s1",ILVYCEVXHALBSC-OTBYEXOQSA-N
BMGC_DG10804,BMG_DG153561,,c12c(c3c(cc(c4c3c5c1c(c6c7c(c(=O)c8c(c57)c4c(cc8O)C)c(cc6O)O)c(cc2O)O)C)O)=O,,BTXNYTINYBABQR-UHFFFAOYSA-N
BMGC_DG10805,BMG_DG153565,CC1=C(C[C@H](CC1)O)/C=C\C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C,[C@]1([C@@H](CCCC(C)C)C)([C@@]2([C@]([H])(C(/C=C\C3=C(C)CC[C@H](O)C3)=CCC2)CC1)C)[H],"InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12-/t21-,24+,25-,26+,27-/m1/s1",YUGCAAVRZWBXEQ-WHTXLNIXSA-N
BMGC_DG10806,BMG_DG153572,CN(C)CC[C@@H](C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=C\C(=O)O)\C(=O)O,C(/C=C\C(=O)O)(=O)O.[C@H](CCN(C)C)(c1ccc(cc1)Cl)c2ncccc2,"InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1",DBAKFASWICGISY-DASCVMRKSA-N
BMGC_DG10807,BMG_DG153573,CN(C)CC/C=C\1/C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O,C/1(\c2c(OCc3c1cccc3)ccc(c2)CC(=O)O)=C\CCN(C)C,"InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-",JBIMVDZLSHOPLA-LSCVHKIXSA-N
BMGC_DG10808,BMG_DG153577,CCCCC[C@@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O,[C@@H]1(/C=C/[C@@](O)(CCCCC)C)[C@H]([C@@H](O)C[C@H]1O)C/C=C\CCCC(=O)O,"InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1",DLJKPYFALUEJCK-IIELGFQLSA-N
BMGC_DG10809,BMG_DG153578,CCC(/C=C/Cl)(C#C)O,C(#C)C(/C=C/Cl)(O)CC,"InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3/b6-5+",ZEHYJZXQEQOSON-AATRIKPKSA-N
BMGC_DG10810,BMG_DG153579,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O,c12c(c(C)c(c(c1O)C/C=C(/CCC(=O)OCCN3CCOCC3)\C)OC)COC2=O,"InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+",RTGDFNSFWBGLEC-SYZQJQIISA-N
BMGC_DG10811,BMG_DG153581,CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N,c1([N+]([O-])=O)c(c(O)cc(\C=C(\C(N(CC)CC)=O)/C#N)c1)O,"InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+",JRURYQJSLYLRLN-BJMVGYQFSA-N
BMGC_DG10812,BMG_DG153584,CN1CCCN=C1/C=C/C2=CC(=CC=C2)O,C=1(N(CCCN1)C)/C=C/c2cc(O)ccc2,"InChI=1S/C13H16N2O/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h2,4-7,10,16H,3,8-9H2,1H3/b7-6+",VRYKTHBAWRESFI-VOTSOKGWSA-N
BMGC_DG10813,BMG_DG153588,C[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]3[C@H](O3)/C=C/C(=O)O1)O)O)O)C(=O)O)OC4[C@H]([C@H]([C@@H]([C@H](O4)C)O)N)O,,"InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32?,33-/m1/s1",NCXMLFZGDNKEPB-BQGNJOPGSA-N
BMGC_DG10814,BMG_DG153590,C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C,[C@]12([C@](/C(=C/C=C/3\C[C@@H](O)C[C@@H](C3)O)/CCC1)(CC[C@@]2([C@@H](/C=C/[C@@H](C(O)(C)C)C)C)[H])[H])C,"InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1",BPKAHTKRCLCHEA-UBFJEZKGSA-N
BMGC_DG10815,BMG_DG153591,C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,[C@]12([C@](/C(=C/C=C/3\C([C@@H](O)C[C@@H](C3)O)=C)/CCC1)(CC[C@@]2([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H])C,"InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1",HKXBNHCUPKIYDM-CGMHZMFXSA-N
BMGC_DG10816,BMG_DG153594,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O,C(CCCC/C=C\CCCCCCCC)CCCCCCC(O)=O,"InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-",DPUOLQHDNGRHBS-KTKRTIGZSA-N
BMGC_DG10817,BMG_DG153596,CCCC/C=C\CCCCCCCC(=O)O,C(CC/C=C\CCCC)CCCCC(O)=O,"InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-",YWWVWXASSLXJHU-WAYWQWQTSA-N
BMGC_DG10818,BMG_DG153612,CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O,C1CC([C@@H]([C@H]1CC(O)=O)C/C=C\CC)=O,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",ZNJFBWYDHIGLCU-HWKXXFMVSA-N
BMGC_DG10819,BMG_DG153616,,O1/C(/C(c2c1cc(cc2O)O)=O)=C\c3cc(c(cc3)O)O,,WBEFUVAYFSOUEA-PQMHYQBVSA-N
BMGC_DG10820,BMG_DG153617,C1=CC(=C(C=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O)O,C(/C=C/c1cc(c(cc1)O)O)(=O)c2c(cc(cc2)O)O,"InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+",AYMYWHCQALZEGT-ORCRQEGFSA-N
BMGC_DG10821,BMG_DG153619,CC1=C(C(C[C@@H](C1=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)[C@H](CC2(C)C)O)C)\C)\C)/C)/C,C(=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=1C(C[C@@H](C(C1C)=O)O)(C)C)\C)\C)/C)/C)\C=2C(C[C@@H](C(C2C)=O)O)(C)C,"InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1",MQZIGYBFDRPAKN-UWFIBFSHSA-N
BMGC_DG10822,BMG_DG153626,C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O)/C)/C)/C=C/C=C(/C(=O)O)\C,C(\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C(=O)O)/C)/C)\C)\C)(=O)O,"InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+",PANKHBYNKQNAHN-MQQNZMFNSA-N
BMGC_DG10823,BMG_DG153627,C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)\C,C([C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC(=O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)O2)O1)O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4,"InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41-,42-,43+,44+/m1/s1",SEBIKDIMAPSUBY-RTJKDTQDSA-N
BMGC_DG10824,BMG_DG153635,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/C,C(\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1",KBPHJBAIARWVSC-RGZFRNHPSA-N
BMGC_DG10825,BMG_DG153646,C1=CC(=CC=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)O,O\1c2cc(O)ccc2C(=O)/C1=C/c3ccc(O)cc3,"InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,16-17H/b14-7-",KEZLDSPIRVZOKZ-AUWJEWJLSA-N
BMGC_DG10826,BMG_DG153647,,CC(=CCc1c(c(ccc1O)C(/C=C/c2ccc(cc2)O)=O)O)C,,DUWPGRAKHMEPCM-IZZDOVSWSA-N
BMGC_DG10827,BMG_DG153652,C1=CC(=C(C=C1/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)O)O)O,,"InChI=1S/C15H10O6/c16-9-3-1-7(5-11(9)18)6-12-13(19)8-2-4-10(17)14(20)15(8)21-12/h1-6,16-18,20H/b12-6-",PNIFOHGQPKXLJE-SDQBBNPISA-N
BMGC_DG10828,BMG_DG153653,,Oc1c(c(c(cc1)C(=O)/C=C/c2cc(c(cc2)O)O)O)O,,GSBNFGRTUCCBTK-DAFODLJHSA-N
BMGC_DG10829,BMG_DG153654,C1=CC(=C(C=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)O)O,O\1c2cc(O)ccc2C(=O)/C1=C/c3cc(c(O)cc3)O,"InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-",RGNXWPVNPFAADO-NSIKDUERSA-N
BMGC_DG10830,BMG_DG153656,CC(=CCC/C(=C/CC1=C(C=C(C=C1O)O)C2=CC3=C(O2)C=C(C=C3)O)/C)C,C(/C=C(/CCC=C(C)C)\C)c1c(cc(O)cc1O)-c2cc3c(o2)cc(O)cc3,"InChI=1S/C24H26O4/c1-15(2)5-4-6-16(3)7-10-20-21(12-19(26)13-22(20)27)24-11-17-8-9-18(25)14-23(17)28-24/h5,7-9,11-14,25-27H,4,6,10H2,1-3H3/b16-7+",KGOOVUKZICPAIZ-FRKPEAEDSA-N
BMGC_DG10831,BMG_DG153657,C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]14CO[C@@]([C@H]4[C@]([C@@H]3O)(C)[C@@]56[C@@H]7C[C@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C,[C@@]12([C@]3([C@@H](C[C@@H]([C@]14[C@@]([C@](OC4)(C(OC)=O)O)([C@]([C@@H]([C@@]2(OC3)[H])O)(C)[C@]56O[C@]5([C@@H]7[C@@]8([C@](O[C@H]6C7)(OC=C8)[H])O)C)[H])OC(=O)/C(/C)=C/C)OC(=O)C)C(=O)OC)[H],"InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1",FTNJWQUOZFUQQJ-NDAWSKJSSA-N
BMGC_DG10832,BMG_DG153666,C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)\C(C)C,[C@@H]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC=C2C1)[H])[H])([C@@H](CC/C(=C/C)/C(C)C)C)[H])C)[H])C)O,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1",OSELKOCHBMDKEJ-WGMIZEQOSA-N
BMGC_DG10833,BMG_DG153674,,c12oc(=O)ccc1ccc3c2[C@H]([C@H](O3)C(C)(C)OC(/C(/C)=C\C)=O)OC(=O)/C(=C\C)/C,,RVGGCRQPGKFZDS-AKRYRNCVSA-N
BMGC_DG10834,BMG_DG153675,C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,c1(c2c(cc(O[C@H]3[C@@H]([C@H]([C@H](O)[C@H](O3)CO)O)O)cc2O)occ1-c4ccc(O)cc4)=O,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1",ZCOLJUOHXJRHDI-CMWLGVBASA-N
BMGC_DG10835,BMG_DG153685,CC1=NC=CC2=C1NC3=CC=CC=C23,c12c3c(cccc3)[nH]c1c(ncc2)C,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3",PSFDQSOCUJVVGF-UHFFFAOYSA-N
BMGC_DG10836,BMG_DG153688,CC[C@H]1CN2CC[C@]3([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O,c1ccc2c(c1)[C@]3(C(N2)=O)CCN4[C@]3(C[C@@]([C@](C4)(CC)[H])(/C(=C\OC)/C(=O)OC)[H])[H],"InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22+/m0/s1",DAXYUDFNWXHGBE-KAXDATADSA-N
BMGC_DG10837,BMG_DG153690,C1=CC(=O)OC2=CC(=C(C=C21)O)O,c12c(cc(O)c(c1)O)ccc(o2)=O,"InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H",ILEDWLMCKZNDJK-UHFFFAOYSA-N
BMGC_DG10838,BMG_DG153691,C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,[C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)Oc2c(cc3c(c2)ccc(=O)o3)O,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",XHCADAYNFIFUHF-TVKJYDDYSA-N
BMGC_DG10839,BMG_DG153692,CC(C)CC(=O)C1=C(C2=C(C(=C1O)CC=C(C)C)OC(=O)C=C2C3=CC=CC=C3)O,,"InChI=1S/C25H26O5/c1-14(2)10-11-17-23(28)22(19(26)12-15(3)4)24(29)21-18(13-20(27)30-25(17)21)16-8-6-5-7-9-16/h5-10,13,15,28-29H,11-12H2,1-4H3",JIFOADIANOIMSK-UHFFFAOYSA-N
BMGC_DG10840,BMG_DG153695,C1=CC(=CC2=C1C=CC(=O)O2)O,o1c2c(ccc(c2)O)ccc1=O,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",ORHBXUUXSCNDEV-UHFFFAOYSA-N
BMGC_DG10841,BMG_DG153698,C/C/1=C\CC/C(=C/[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)/C,C1(C([C@@]2(CC/C(=C/CC/C(=C/[C@]2(O1)[H])/C)/C)[H])=C)=O,"InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1",HRYLQFBHBWLLLL-AHNJNIBGSA-N
BMGC_DG10842,BMG_DG153703,C/C/1=C\CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C,[C@@]12([C@@](CC/C(/C)=C/CCC1=C)(C(C2)(C)C)[H])[H],"InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1",NPNUFJAVOOONJE-GFUGXAQUSA-N
BMGC_DG10843,BMG_DG153719,,c12c(coc(c1/C(=C/C=C/C)/C=C2)=O)C(=O)OC,,RFUJEBHESHKXKW-PRKJJMSOSA-N
BMGC_DG10844,BMG_DG153730,C1=CC(=O)C(=C2C(=C1)C=C(C(=C2O)O)O)O,c1(O)c(O)c(O)cc2c1c(=O)c(O)ccc2,"InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)",WDGFFVCWBZVLCE-UHFFFAOYSA-N
BMGC_DG10845,BMG_DG153733,C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O,O=c1cc(oc2c1c(cc(c2)O)O)-c3cc(-c4c5oc(cc(c5c(O)cc4O)=O)-c6ccc(cc6)O)c(O)cc3,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H",YUSWMAULDXZHPY-UHFFFAOYSA-N
BMGC_DG10846,BMG_DG153734,COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O,c12c(cc(oc1cc(cc2O)OC)-c3ccc(cc3)OC)=O,"InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-9,18H,1-2H3",LZERJKGWTQYMBB-UHFFFAOYSA-N
BMGC_DG10847,BMG_DG153736,,COc1c(cc2c(c1O)c(=O)c(c(o2)-c3cc(c(cc3)O)O)OC)O,,KIGVXRGRNLQNNI-UHFFFAOYSA-N
BMGC_DG10848,BMG_DG153737,,c1(c(c(c2c(o1)cc(cc2OC)O)=O)O)-c3cc(c(cc3)O)O,,RJBAXROZAXAEEM-UHFFFAOYSA-N
BMGC_DG10849,BMG_DG153738,C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O,c12c(cc(oc1cc(O)c(c2O)O)-c3ccccc3)=O,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H",FXNFHKRTJBSTCS-UHFFFAOYSA-N
BMGC_DG10850,BMG_DG153739,C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O,c12c(oc(-c3ccccc3)cc1=O)cc(O)cc2O,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H",RTIXKCRFFJGDFG-UHFFFAOYSA-N
BMGC_DG10851,BMG_DG153741,C1=CC=C(C(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,c1(c(c(=O)c2c(o1)cc(O)cc2O)O)-c3c(O)cccc3,"InChI=1S/C15H10O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,16-18,20H",WCNLFPKXBGWWDS-UHFFFAOYSA-N
BMGC_DG10852,BMG_DG153743,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O,Oc1cc(O)c2c(=O)cc(-c3cc(O)c(OC)cc3)oc2c1,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",MBNGWHIJMBWFHU-UHFFFAOYSA-N
BMGC_DG10853,BMG_DG153744,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,[C@@H]1(O)[C@@H](O)[C@H](Oc2cc(O)c3c(cc(oc3c2)-c4ccc(c(O)c4)OC)=O)O[C@@H]([C@H]1O)CO[C@@H]5O[C@H]([C@@H]([C@H]([C@H]5O)O)O)C,"InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",GZSOSUNBTXMUFQ-YFAPSIMESA-N
BMGC_DG10854,BMG_DG153745,C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O,c1(-c2cc(c(O)cc2)O)oc3c(ccc(c3)O)c(c1O)=O,"InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H",XHEFDIBZLJXQHF-UHFFFAOYSA-N
BMGC_DG10855,BMG_DG153746,C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O,c12c(oc(-c3ccccc3)c(c1=O)O)cc(O)cc2O,"InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H",VCCRNZQBSJXYJD-UHFFFAOYSA-N
BMGC_DG10856,BMG_DG153747,COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O,c12c(cc(oc1cc(cc2O)OC)-c3ccc(cc3)O)=O,"InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",JPMYFOBNRRGFNO-UHFFFAOYSA-N
BMGC_DG10857,BMG_DG153748,,[C@H]1(O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O)Oc2c(cc(c3c2oc(c(c3=O)O)-c4cc(c(cc4)O)O)O)O,,SJRXVLUZMMDCNG-KKPQBLLMSA-N
BMGC_DG10858,BMG_DG153749,,o1c2c(c(ccc2O)O)c(c3c1cc(cc3O)OC)=O,,JDIORNFCMMYMLF-UHFFFAOYSA-N
BMGC_DG10859,BMG_DG153750,C1=CC(=C2C(=C1O)C(=O)C3=C(C=C(C=C3O2)O)O)O,o1c2c(c(ccc2O)O)c(c3c1cc(cc3O)O)=O,"InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H",MPXAWSABMVLIBU-UHFFFAOYSA-N
BMGC_DG10860,BMG_DG153751,,c12c(c(Oc3ccc(-c4cc(=O)c5c(o4)cc(O)cc5O)cc3)c(cc1oc(-c6ccc(cc6)O)cc2=O)O)O,,WTDHMFBJQJSTMH-UHFFFAOYSA-N
BMGC_DG10861,BMG_DG153752,,Oc1ccc(-c2oc3cc(O)c(OC)c(c3c(c2)=O)O)cc1,,IHFBPDAQLQOCBX-UHFFFAOYSA-N
BMGC_DG10862,BMG_DG153753,C1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O,O=c1c2cc(O)ccc2oc3cccc(O)c13,"InChI=1S/C13H8O4/c14-7-4-5-10-8(6-7)13(16)12-9(15)2-1-3-11(12)17-10/h1-6,14-15H",KDXFPEKLLFWHMN-UHFFFAOYSA-N
BMGC_DG10863,BMG_DG153760,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O,[C@@H]1(O)[C@H]([C@H]([C@H](O[C@H]1Oc2c(c3c(cc(cc3O)O)oc2-c4ccc(c(c4)O)O)=O)CO)O)O,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",OVSQVDMCBVZWGM-DTGCRPNFSA-N
BMGC_DG10864,BMG_DG153761,C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,c1(c2c(c(c(cc2oc3cc(c(cc31)O)O)O)[C@]4([C@H](O)[C@@H](O)[C@H](O)[C@H](O4)CO)[H])O)=O,"InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1",AEDDIBAIWPIIBD-ZJKJAXBQSA-N
BMGC_DG10865,BMG_DG153763,CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)C,c1(c2c(c(c(cc2oc3cc(c(c(c31)CC=C(C)C)OC)O)O)CC=C(C)C)O)=O,"InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3",GNRIZKKCNOBBMO-UHFFFAOYSA-N
BMGC_DG10866,BMG_DG153764,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,c12c(oc(-c3ccc(O)c(c3)OC)c(c1=O)O)cc(O)cc2O,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",IZQSVPBOUDKVDZ-UHFFFAOYSA-N
BMGC_DG10867,BMG_DG153765,C1=C(C=C2C(=C1O)C(=O)C3=CC(=C(C=C3O2)O)O)O,,"InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H",ZHTQCPCDXKMMLU-UHFFFAOYSA-N
BMGC_DG10868,BMG_DG153771,C1=CC2=C(C(=C1)O)OC3=CC(=CC(=C3C2=O)O)O,,"InChI=1S/C13H8O5/c14-6-4-9(16)11-10(5-6)18-13-7(12(11)17)2-1-3-8(13)15/h1-5,14-16H",XESIWQIMUSNPRO-UHFFFAOYSA-N
BMGC_DG10869,BMG_DG153773,COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O,c1(-c2ccc(OC)cc2)oc3c(c(cc(c3)O)O)c(c1O)=O,"InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3",SQFSKOYWJBQGKQ-UHFFFAOYSA-N
BMGC_DG10870,BMG_DG153776,C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O,c12c(oc(-c3c(cc(O)cc3)O)c(c1=O)O)cc(O)cc2O,"InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H",YXOLAZRVSSWPPT-UHFFFAOYSA-N
BMGC_DG10871,BMG_DG153777,CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=C(C=C(C=C4)O)O)C,c1(c(c(=O)c2c(o1)c3c(OC(C=C3)(C)C)cc2O)CC=C(C)C)-c4c(cc(cc4)O)O,"InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3",XFFOMNJIDRDDLQ-UHFFFAOYSA-N
BMGC_DG10872,BMG_DG153778,C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O,c12c(c(c(O)c(o1)-c3cc(c(O)c(c3)O)O)=O)c(cc(c2)O)O,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",IKMDFBPHZNJCSN-UHFFFAOYSA-N
BMGC_DG10873,BMG_DG153779,,c1(c(oc2c(c1=O)c(cc(c2)O)O)-c3cc(O)c(c(c3)O)O)O[C@H]4[C@@H]([C@H](O)[C@H]([C@@H](O4)C)O)O,,DCYOADKBABEMIQ-OWMUPTOHSA-N
BMGC_DG10874,BMG_DG153781,C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,c1(c(c2oc(cc(c2c(c1)O)=O)-c3cc(c(cc3)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",PLAPMLGJVGLZOV-VPRICQMDSA-N
BMGC_DG10875,BMG_DG153782,,c1(c(oc2c(c1=O)c(cc(c2)OC)O)-c3cc(OC)c(cc3)O)OC,,KQFUXLQBMQGNRT-UHFFFAOYSA-N
BMGC_DG10876,BMG_DG153783,COC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O,c1(c(c(c2c(o1)cc(c(c2O)OC)O)=O)O)-c3cc(c(cc3)O)O,"InChI=1S/C16H12O8/c1-23-16-9(19)5-10-11(13(16)21)12(20)14(22)15(24-10)6-2-3-7(17)8(18)4-6/h2-5,17-19,21-22H,1H3",JMIFIYIEXODVTO-UHFFFAOYSA-N
BMGC_DG10877,BMG_DG153784,C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O)O,c1(c(c(c2c(c1)oc(-c3cc(c(cc3)O)O)c(O)c2=O)O)O)O,"InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H",ZVOLCUVKHLEPEV-UHFFFAOYSA-N
BMGC_DG10878,BMG_DG153785,COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O,c12c(c(=O)c(c(-c3cc(c(O)cc3)O)o1)O)c(cc(c2)OC)O,"InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3",JGUZGNYPMHHYRK-UHFFFAOYSA-N
BMGC_DG10879,BMG_DG153786,,c1(-c2cc(c(O)c(c2)O)O)oc3c(ccc(c3)O)c(c1O)=O,,SOEDEYVDCDYMMH-UHFFFAOYSA-N
BMGC_DG10880,BMG_DG153788,,Oc1c2c(oc(cc2=O)-c3ccc(O)cc3)cc(O)c1-c4cc(ccc4O)-c5oc6c(c(=O)c5)c(O)cc(O)c6,,BORWSEZUWHQTOK-UHFFFAOYSA-N
BMGC_DG10881,BMG_DG153789,,COc1ccc(cc1)-c2c(c(=O)c3c(c(c(cc3o2)O)OC)O)OC,,DWZAJFZEYZIHPO-UHFFFAOYSA-N
BMGC_DG10882,BMG_DG153790,,c12c(c(=O)cc(o1)-c3ccc(cc3)OC)c(O)cc(c2-c4cc(-c5cc(=O)c6c(o5)cc(OC)cc6O)ccc4OC)O,,YCXRBCHEOFVYEN-UHFFFAOYSA-N
BMGC_DG10883,BMG_DG153791,C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O,c12c(cc(oc1cc(O)c(c2O)O)-c3ccc(cc3)O)=O,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H",JVXZRQGOGOXCEC-UHFFFAOYSA-N
BMGC_DG10884,BMG_DG153792,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,c12c(oc(-c3cc(c(OC)cc3)O)c(c1=O)O)cc(O)cc2O,"InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",FPLMIPQZHHQWHN-UHFFFAOYSA-N
BMGC_DG10885,BMG_DG153793,C1=C(C=C(C(=C1O)O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O,c1(c(cc(cc1O)-c2cc(=O)c3c(cc(cc3O)O)o2)O)O,"InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H",ARSRJFRKVXALTF-UHFFFAOYSA-N
BMGC_DG10886,BMG_DG153795,COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O,c12c(c(c(O)cc1O)OC)oc(-c3ccccc3)cc2=O,"InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3",XLTFNNCXVBYBSX-UHFFFAOYSA-N
BMGC_DG10887,BMG_DG153796,COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)O,c1(ccc(OC)cc1)-c2c(c3cc(c(O)cc3oc2)OC)=O,"InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3",KJGPBYUQZLUKLL-UHFFFAOYSA-N
BMGC_DG10888,BMG_DG153798,C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O,c1(ccc2c(c1)oc3c2c(oc4c3ccc(c4)O)=O)O,"InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H",ZZIALNLLNHEQPJ-UHFFFAOYSA-N
BMGC_DG10889,BMG_DG153799,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O,c1(c(c2ccc(cc2oc1)O)=O)-c3ccc(cc3)O,"InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H",ZQSIJRDFPHDXIC-UHFFFAOYSA-N
BMGC_DG10890,BMG_DG153803,,C(=C/c1ccc(O)cc1O)\c2cc(O)cc(O)c2,,PDHAOJSHSJQANO-OWOJBTEDSA-N
BMGC_DG10891,BMG_DG153804,C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)c2cc(cc(c2)O)/C=C/c3ccc(cc3)O,"InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1",HSTZMXCBWJGKHG-CUYWLFDKSA-N
BMGC_DG10892,BMG_DG153805,COC1=CC(=CC(=C1)O)/C=C/C2=CC=CC=C2,,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",JVIXPWIEOVZVJC-BQYQJAHWSA-N
BMGC_DG10893,BMG_DG153810,COC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)O)OC,c1(ccc(cc1)/C=C/c2cc(cc(c2)OC)OC)O,"InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+",VLEUZFDZJKSGMX-ONEGZZNKSA-N
BMGC_DG10894,BMG_DG153826,,c12c(c3c(cc(c4c5c(cc(c6c5c7c(c43)c1c(c8c7c(c6=O)c(cc8O)O)c(cc2O)O)O)C)CO)O)=O,,YXBUQQDFTYOHQI-UHFFFAOYSA-N
BMGC_DG10895,BMG_DG153840,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O,O([C@H]1[C@H](OC(=O)/C=C/c2cc(O)c(O)cc2)[C@H](O[C@@H](OCCc3cc(O)c(O)cc3)[C@@H]1O)CO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C,"InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1",FSBUXLDOLNLABB-ISAKITKMSA-N
BMGC_DG10896,BMG_DG153842,,c1(cc(c(cc1)O)O)CCO[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@H](O)[C@H]2O,,DTOUWTJYUCZJQD-UJERWXFOSA-N
BMGC_DG10897,BMG_DG153845,C1OC2=C(O1)C(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O,O=c1c2c(cc3c(c2O)OCO3)occ1-c4ccc(O)cc4,"InChI=1S/C16H10O6/c17-9-3-1-8(2-4-9)10-6-20-11-5-12-16(22-7-21-12)15(19)13(11)14(10)18/h1-6,17,19H,7H2",NUGRQNBDTZWXTP-UHFFFAOYSA-N
BMGC_DG10898,BMG_DG153846,C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O,[C@]1(C[C@H]([C@@H]([C@@H](C1)O)OC(/C=C/c2cc(c(cc2)O)O)=O)OC(/C=C/c3cc(c(cc3)O)O)=O)(C(=O)O)O,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",UFCLZKMFXSILNL-PSEXTPKNSA-N
BMGC_DG10899,BMG_DG153848,CCOC(=O)/C=C/C1=CC=C(C=C1)OC,CCOC(=O)/C=C/c1ccc(OC)cc1,"InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3/b9-6+",DHNGCHLFKUPGPX-RMKNXTFCSA-N
BMGC_DG10900,BMG_DG153850,,c1(c(cc(cc1)/C=C/C(OCCc2ccccc2)=O)O)O,,SWUARLUWKZWEBQ-VQHVLOKHSA-N
BMGC_DG10901,BMG_DG153853,C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O,c1(ccc(C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)cc1O)O,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",DOUMFZQKYFQNTF-WUTVXBCWSA-N
BMGC_DG10902,BMG_DG153854,C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C(C(=C(C=C2)O)O)/C=C/C3=CC(=C(C=C3)O)O)O)O,C(\c1c(O)c(O)ccc1/C=C/C(=O)O[C@@H](C(=O)O)Cc2ccc(O)c(O)c2)=C/c3ccc(O)c(O)c3,"InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1",YMGFTDKNIWPMGF-UCPJVGPRSA-N
BMGC_DG10903,BMG_DG153855,CCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC,O=C(/C=C/CCCCC)CCc1ccc(c(c1)OC)O,"InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+",OQWKEEOHDMUXEO-BQYQJAHWSA-N
BMGC_DG10904,BMG_DG153858,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O,[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)OCCc2cc(c(cc2)O)O)CO)OC(/C=C/c3cc(c(cc3)O)O)=O)O[C@]4([C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)[H],"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1",FBSKJMQYURKNSU-ZLSOWSIRSA-N
BMGC_DG10905,BMG_DG153859,C1=CC(=C(C=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O)O,c1(O)cc(O)c2c(occ(c2=O)-c3ccc(c(c3)O)O)c1,"InChI=1S/C15H10O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-6,16-19H",IOYHCQBYQJQBSK-UHFFFAOYSA-N
BMGC_DG10906,BMG_DG153861,COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O,c1(c2c(cc(cc2O)OC)occ1-c3ccc(cc3)O)=O,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",KQMVAGISDHMXJJ-UHFFFAOYSA-N
BMGC_DG10907,BMG_DG153862,C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)O,O=c1c2ccc(O)cc2occ1-c3ccc4OCOc4c3,"InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2",KNJNBKINYHZUGC-UHFFFAOYSA-N
BMGC_DG10908,BMG_DG153863,CC(=CCC1=CC2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)C,O=c1oc2cc(O)c(CC=C(C)C)cc2c3oc4cc(O)ccc4c31,"InChI=1S/C20H16O5/c1-10(2)3-4-11-7-14-17(9-15(11)22)25-20(23)18-13-6-5-12(21)8-16(13)24-19(14)18/h3,5-9,21-22H,4H2,1-2H3",YABIJLLNNFURIJ-UHFFFAOYSA-N
BMGC_DG10909,BMG_DG153864,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,c1oc2c(ccc(c2[C@@]3(O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)[H])O)c(=O)c1-c4ccc(O)cc4,"InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1",HKEAFJYKMMKDOR-VPRICQMDSA-N
BMGC_DG10910,BMG_DG153867,COC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O,c12c(cc(O)c(c1O)OC)occ(c2=O)-c3ccc(O)cc3,"InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3",OBBCRPUNCUPUOS-UHFFFAOYSA-N
BMGC_DG10911,BMG_DG153868,,c1(O)cc2c(occ(c2=O)-c3ccc(cc3)OC)cc1O,,GCWOYVFHJDNKIN-UHFFFAOYSA-N
BMGC_DG10912,BMG_DG153869,,c1(c2c(c3c(o1)cc(cc3O)OC)oc4c2cc(c(c4)O)O)=O,,XQDCKJKKMFWXGB-UHFFFAOYSA-N
BMGC_DG10913,BMG_DG153876,CN1C2=CC=CC=C2C(=O)C3=C(C(=C(C=C31)OC)OC)O,c1ccc2c(=O)c3c(O)c(OC)c(cc3n(c2c1)C)OC,"InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3",ATBZZQPALSPNMF-UHFFFAOYSA-N
BMGC_DG10914,BMG_DG153879,CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C(=C3C(=C2O)C=CC(O3)(C)C)C(=O)/C=C/C4=CC=CC=C4)O)O,c1(c2c(c(O)c(c1O)Cc3c(c(c(O)c(c3O)C)C(C)=O)O)C=CC(O2)(C)C)C(/C=C/c4ccccc4)=O,"InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10+",DEZFNHCVIZBHBI-ZHACJKMWSA-N
BMGC_DG10915,BMG_DG153884,C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O,c12c3c4c(O)c(cc3c(oc1c(O)c(cc2c(o4)=O)O)=O)O,"InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H",AFSDNFLWKVMVRB-UHFFFAOYSA-N
BMGC_DG10916,BMG_DG153888,C1=CC(=C(C=C1/C=C/C=O)O)O,C(=C/C=O)\c1cc(O)c(O)cc1,"InChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+",AXMVYSVVTMKQSL-OWOJBTEDSA-N
BMGC_DG10917,BMG_DG153893,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C,C1C(C(/C=C/C(=C/C=C/C(=C/C(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)=O)/C)/C)=C(CC1)C)(C)C,"InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8+,16-14+/t20-,21-,22+,23-,25+/m0/s1",MTGFYEHKPMOVNE-NEFMKCFNSA-N
BMGC_DG10918,BMG_DG153894,C1CN(CCN1CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO,c12/C(/c3c(cccc3)Sc1ccc(c2)C(F)(F)F)=C/CCN4CCN(CCO)CC4,"InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+",NJMYODHXAKYRHW-BLLMUTORSA-N
BMGC_DG10919,BMG_DG153895,C1CN(CCN1CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO,c12/C(/c3c(cccc3)Sc1ccc(c2)C(F)(F)F)=C\CCN4CCN(CCO)CC4,"InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-",NJMYODHXAKYRHW-DVZOWYKESA-N
BMGC_DG10920,BMG_DG153896,C/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)C,C([C@@H](C/C=C/C)C)(=O)[C@@H]1N(C)C(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC([C@@H](N(C([C@@H](NC([C@@H](N(C(CN(C([C@@H](NC1=O)C(C)C)=O)C)=O)C)CC(C)C)=O)C(C)C)=O)C)CC(C)C)=O)CC(C)C)C(C)C,"InChI=1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+/m1/s1",YJDYDFNKCBANTM-QCWCSKBGSA-N
BMGC_DG10921,BMG_DG153898,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O,,"InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1",MTKNDAQYHASLID-QXYWQCSFSA-N
BMGC_DG10922,BMG_DG153899,CN(C)C(=O)CCSC(C1=CC=CC(=C1)/C=C/C2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)O,n1c2cc(Cl)ccc2ccc1/C=C/c3cc(C(SCCC(=O)O)SCCC(N(C)C)=O)ccc3,"InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+",AXUZQJFHDNNPFG-UXBLZVDNSA-N
BMGC_DG10923,BMG_DG153900,C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O,c1(cc(=O)c2c(o1)cc(O)cc2)-c3ccccc3,"InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H",MQGPSCMMNJKMHQ-UHFFFAOYSA-N
BMGC_DG10924,BMG_DG153902,,,,
BMGC_DG10925,BMG_DG153909,CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C,C1(=C(C(=O)C(=C(C1=O)C/C=C(/CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)/C)/C)/C)/C)/C)/C)\C)C)OC)OC,"InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+",ACTIUHUUMQJHFO-UPTCCGCDSA-N
BMGC_DG10926,BMG_DG153912,CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)OC,[C@H]1([C@H](C(CC1)=O)C/C=C\CC)CC(=O)OC,"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1",GEWDNTWNSAZUDX-WQMVXFAESA-N
BMGC_DG10927,BMG_DG153914,,c1(c(cc(N=C=S)cc1)S(O)(=O)=O)/C=C/c2c(cc(N=C=S)cc2)S(O)(=O)=O,,YSCNMFDFYJUPEF-OWOJBTEDSA-N
BMGC_DG10928,BMG_DG153917,,c1ccc(-c2oc3cc(cc(c3c(c2)=O)O)OC)cc1,,IRZVHDLBAYNPCT-UHFFFAOYSA-N
BMGC_DG10929,BMG_DG153921,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO,C(=O)(NCCO)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,"InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-",LGEQQWMQCRIYKG-DOFZRALJSA-N
BMGC_DG10930,BMG_DG153945,C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N,[C@@]1([C@](C(N)=O)(O1)[H])(C(CC/C=C/C/C=C/C)=O)[H],"InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1",GVEZIHKRYBHEFX-NQQPLRFYSA-N
BMGC_DG10931,BMG_DG153951,CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)\C,[C@H]1([C@@]2([C@H](C[C@H]([C@](C(C(N3CCCC[C@H]3C(O[C@@H]([C@@H]([C@H](CC([C@@H](\C=C(\C[C@@H](C1)C)/C)CC)=O)O)C)/C(/C)=C/[C@@]4(CC[C@H]([C@@H](C4)OC)O)[H])=O)=O)=O)(O2)O)C)OC)[H])OC,"InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1",ZDQSOHOQTUFQEM-NURRSENYSA-N
BMGC_DG10932,BMG_DG153952,,c12c(c(cc(o1)-c3ccc(O)cc3)=O)ccc(c2)O,,LCAWNFIFMLXZPQ-UHFFFAOYSA-N
BMGC_DG10933,BMG_DG153953,C1=CC(=C(C=C1O)O)C2=COC3=CC(=CC(=C3C2=O)O)O,Oc1cc(c(cc1)-c2coc3cc(cc(c3c2=O)O)O)O,"InChI=1S/C15H10O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-6,16-19H",GSSOWCUOWLMMRJ-UHFFFAOYSA-N
BMGC_DG10934,BMG_DG153957,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,O[C@H]1[C@H](Oc2c(c3c(cc(cc3oc2-c4ccc(cc4)O)O)O)=O)O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",JPUKWEQWGBDDQB-QSOFNFLRSA-N
BMGC_DG10935,BMG_DG153958,,C(CNC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)c1cc(O)c(O)cc1,,MVVPIAAVGAWJNQ-DOFZRALJSA-N
BMGC_DG10936,BMG_DG153959,CCCCCCCC/C=C\CCCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O,c1c(O)c(O)cc(CCNC(CCCCCCC/C=C\CCCCCCCC)=O)c1,"InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-",QQBPLXNESPTPNU-KTKRTIGZSA-N
BMGC_DG10937,BMG_DG153964,C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C\CNC(=O)CS(=O)CC3=CC=CO3,o1cccc1C[S+](CC(NC/C=C\COc2nccc(c2)CN3CCCCC3)=O)[O-],"InChI=1S/C22H29N3O4S/c26-21(18-30(27)17-20-7-6-14-28-20)23-9-2-5-13-29-22-15-19(8-10-24-22)16-25-11-3-1-4-12-25/h2,5-8,10,14-15H,1,3-4,9,11-13,16-18H2,(H,23,26)/b5-2-",KMZQAVXSMUKBPD-DJWKRKHSSA-N
BMGC_DG10938,BMG_DG153965,CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC,O(CCOC(=O)C=1C(c2cc(ccc2)[N+]([O-])=O)C(=C(NC1C)C)C(OC/C=C/c3ccccc3)=O)C,"InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+",KJEBULYHNRNJTE-DHZHZOJOSA-N
BMGC_DG10939,BMG_DG153974,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O,c1(cc(c2c(o1)cc(cc2O)O[C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@@H](O4)C)[C@@H](O)[C@H](O)[C@H](O3)CO)=O)-c5cc(c(cc5)O)O,"InChI=1S/C27H30O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-7,9,18,20-31,33-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",SHPPXMGVUDNKLV-KMFFXDMSSA-N
BMGC_DG10940,BMG_DG153982,C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O,C=1\C=C\C[C@@H](C)OC(=O)C[C@H]([C@@H]([C@H]([C@H](C[C@@H](C)[C@@H](O)\C1)CC=O)O[C@@]2(O[C@@H]([C@](O[C@H]3C[C@](C)([C@@H](OC(CC(C)C)=O)[C@H](C)O3)O)([H])[C@@H]([C@H]2O)N(C)C)C)[H])OC)OC(=O)C,"InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1",XJSFLOJWULLJQS-NGVXBBESSA-N
BMGC_DG10941,BMG_DG153986,CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)O)C,C1(C[C@H]([C@@H]([C@H]([C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](O1)C)O)C)CC=O)O[C@@]2(O[C@@H]([C@H]([C@@H]([C@H]2O)N(C)C)O[C@@]3(O[C@@H](C)[C@H](OC(CC)=O)[C@@](C)(C3)O)[H])C)[H])OC)OC(=O)CC)=O,"InChI=1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3/b14-13+,17-15+/t23-,24-,25-,26+,27+,28+,29-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1",DMUAPQTXSSNEDD-QALJCMCCSA-N
BMGC_DG10942,BMG_DG153989,CCCCCCCC(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O)O,[C@H]1([C@H]([C@@H](O)C[C@H]1O)C/C=C\CCCC(=O)OC(C)C)CCC(=O)CCCCCCC,"InChI=1S/C25H44O5/c1-4-5-6-7-10-13-20(26)16-17-22-21(23(27)18-24(22)28)14-11-8-9-12-15-25(29)30-19(2)3/h8,11,19,21-24,27-28H,4-7,9-10,12-18H2,1-3H3/b11-8-/t21-,22-,23+,24-/m1/s1",XXUPXHKCPIKWLR-JHUOEJJVSA-N
BMGC_DG10943,BMG_DG153990,CCCC[C@H](/C=C(\C)/C=C/C=C/C(=O)N1CCCC1=O)O,N1(C(CCC1)=O)C(/C=C/C=C/C(=C/[C@@H](CCCC)O)/C)=O,"InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6+,14-13+/t15-/m1/s1",ZYPGADGCNXOUJP-CXVPHVKISA-N
BMGC_DG10944,BMG_DG153992,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,[C@]12([C@]([H])(/C(=C/C=C/3\C([C@@H](O)C[C@@H](C3)O)=C)/CCC1)CC[C@]2([H])[C@@H](CCCC(C)C)C)C,"InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1",OFHCOWSQAMBJIW-AVJTYSNKSA-N
BMGC_DG10945,BMG_DG153998,C[C@H](CCCC(C(F)(F)F)(C(F)(F)F)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,C(C(F)(F)F)(C(F)(F)F)(O)CCC[C@H]([C@@]1([C@@]2([C@@](/C(=C/C=C/3\C([C@@H](O)C[C@@H](C3)O)=C)/CCC2)([H])CC1)C)[H])C,"InChI=1S/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9-/t16-,20-,21-,22+,23+,24-/m1/s1",XPYGGHVSFMUHLH-UUSULHAXSA-N
BMGC_DG10946,BMG_DG153999,C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)/C=C/Br,n1([C@H]2[C@H]([C@H](O)[C@H](O2)CO)O)c([nH]c(=O)c(c1)/C=C/Br)=O,"InChI=1S/C11H13BrN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/b2-1+/t6-,7-,8+,10-/m1/s1",GCQYYIHYQMVWLT-HQNLTJAPSA-N
BMGC_DG10947,BMG_DG154004,CCCCC[C@H]([C@@H]1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H]([C@H]([C@@H](/C(=C/C=C/C=C/C=C/C=C/[C@@H]([C@H](OC1=O)C)O)/C)O)O)O)O)O)O)O)O)O,[C@@]1([C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H]([C@H]([C@@H](/C(/C)=C/C=C/C=C/C=C/C=C/[C@@H]([C@H](OC1=O)C)O)O)O)O)O)O)O)O)O)([C@@H](CCCCC)O)[H],"InChI=1S/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,22-14+/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33-,34-/m1/s1",AGJUUQSLGVCRQA-SWOUQTJZSA-N
BMGC_DG10948,BMG_DG154005,CC(C1=CC=C(C=C1)/C=C/2\CCCCC2=O)C(=O)O,c1(ccc(cc1)/C=C\2/C(CCCC2)=O)C(C(=O)O)C,"InChI=1S/C16H18O3/c1-11(16(18)19)13-8-6-12(7-9-13)10-14-4-2-3-5-15(14)17/h6-11H,2-5H2,1H3,(H,18,19)/b14-10+",AUZUGWXLBGZUPP-GXDHUFHOSA-N
BMGC_DG10949,BMG_DG154008,C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2CN(C3)NC(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N,S(c1cc(C(NN2C[C@]3([C@H]4CC[C@@H]([C@]3(C2)[H])C4)[H])=O)ccc1Cl)(=O)(=O)N,"InChI=1S/C16H20ClN3O3S/c17-14-4-3-11(6-15(14)24(18,22)23)16(21)19-20-7-12-9-1-2-10(5-9)13(12)8-20/h3-4,6,9-10,12-13H,1-2,5,7-8H2,(H,19,21)(H2,18,22,23)/t9-,10+,12-,13+",UHLOVGKIEARANS-NIFPGPBJSA-N
BMGC_DG10950,BMG_DG154009,CCCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)OC(=O)CC)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N(C)C)O)O[C@H]3[C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]3OC)O)C)O)C)CC=O)C)C,[C@@]1(C[C@H](O[C@@H]2[C@H](O[C@H]([C@H](O)[C@H]2N(C)C)O[C@@H]3[C@H]([C@@H](CC(=O)O[C@@H](C\C=C\C=C\[C@@H]([C@@H](C[C@@H]3CC=O)C)O)C)O)OC)C)O[C@@H](C)[C@@H]1OC(=O)CCC)(OC(CC)=O)C,"InChI=1S/C42H69NO15/c1-11-16-32(48)55-40-27(6)53-34(23-42(40,7)58-31(47)12-2)56-37-26(5)54-41(36(50)35(37)43(8)9)57-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(49)22-30(46)39(38)51-10/h13-15,18,20,24-30,34-41,45-46,50H,11-12,16-17,19,21-23H2,1-10H3/b14-13+,18-15+/t24-,25-,26-,27+,28+,29+,30-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1",VYWWNRMSAPEJLS-MDWYKHENSA-N
BMGC_DG10951,BMG_DG154013,CC(=CCOC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OCC=C(C)C)OCC(=O)O)C,c1(c(ccc(c1)OCC=C(C)C)C(/C=C/c2ccc(OCC=C(C)C)cc2)=O)OCC(O)=O,"InChI=1S/C27H30O6/c1-19(2)13-15-31-22-8-5-21(6-9-22)7-12-25(28)24-11-10-23(32-16-14-20(3)4)17-26(24)33-18-27(29)30/h5-14,17H,15-16,18H2,1-4H3,(H,29,30)/b12-7+",GFWRVVCDTLRWPK-KPKJPENVSA-N
BMGC_DG10952,BMG_DG154014,,CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c3ccccc3Cl,,AZVBJJDUDXZLTM-UHFFFAOYSA-N
BMGC_DG10953,BMG_DG154018,CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)O)O,C(c1cc(OC[C@@H](\C=C\[C@@H]2[C@H]([C@@H](O)C[C@H]2O)C/C=C\CCCC(=O)OC(C)C)O)ccc1)(F)(F)F,"InChI=1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3-,13-12+/t19-,21-,22-,23+,24-/m1/s1",MKPLKVHSHYCHOC-AHTXBMBWSA-N
BMGC_DG10954,BMG_DG154021,COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OC,c1(c(NC(=O)/C=C/c2cc(OC)c(cc2)OC)cccc1)C(=O)O,"InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+",NZHGWWWHIYHZNX-CSKARUKUSA-N
BMGC_DG10955,BMG_DG154023,CCCCC(C)(C)[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCC/C=C/C(=O)OC)O)O,C1(C[C@@H](O)[C@@H]([C@H]1CCCC\C=C\C(=O)OC)/C=C/[C@H](C(CCCC)(C)C)O)=O,"InChI=1S/C23H38O5/c1-5-6-15-23(2,3)21(26)14-13-18-17(19(24)16-20(18)25)11-9-7-8-10-12-22(27)28-4/h10,12-14,17-18,20-21,25-26H,5-9,11,15-16H2,1-4H3/b12-10+,14-13+/t17-,18-,20-,21-/m1/s1",KYBOHGVERHWSSV-VNIVIJDLSA-N
BMGC_DG10956,BMG_DG154025,C1C=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C\CC(=O)O)/C3=CSC(=N3)N)C(=O)O.O.O,c1(/C(/C(N[C@H]2[C@@]3(N(C(C(=O)O)=CCS3)C2=O)[H])=O)=C/CC(O)=O)nc(N)sc1.O.O,"InChI=1S/C15H14N4O6S2.2H2O/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19;;/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25);2*1H2/b6-1-;;/t10-,13-;;/m1../s1",SSWTVBYDDFPFAF-DKOGRLLHSA-N
BMGC_DG10957,BMG_DG154026,C1C=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C\CC(=O)O)/C3=CSC(=N3)N)C(=O)O,N12C(C(O)=O)=CCS[C@]1([H])[C@H](NC(=O)/C(=C\CC(O)=O)/c3csc(N)n3)C2=O,"InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1",UNJFKXSSGBWRBZ-BJCIPQKHSA-N
BMGC_DG10958,BMG_DG154031,C[C@H](/C=C/C=C(/C)\[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O)C(=O)O,[C@H]1([C@H](NC[C@@H]1/C(=C\C=C\[C@H](C(=O)O)C)/C)C(=O)O)CC(=O)O,"InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1",VZFRNCSOCOPNDB-AOKDLOFSSA-N
BMGC_DG10959,BMG_DG154036,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)NCCO,,"InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-",ULQWKETUACYZLI-QNEBEIHSSA-N
BMGC_DG10960,BMG_DG154037,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCCO,,"InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-",FMVHVRYFQIXOAF-DOFZRALJSA-N
BMGC_DG10961,BMG_DG154038,CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4,,"InChI=1S/C25H19Cl2N3O2/c1-30-21-10-6-5-9-19(21)23(17-7-3-2-4-8-17)29-24(25(30)32)28-22(31)14-12-16-11-13-18(26)15-20(16)27/h2-15,24H,1H3,(H,28,31)/b14-12+/t24-/m1/s1",BYULDQRRUINTAA-SWDTZWKESA-N
BMGC_DG10962,BMG_DG154039,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO,OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO,"InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-",RCRCTBLIHCHWDZ-DOFZRALJSA-N
BMGC_DG10963,BMG_DG154045,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N(C)C)O,,"InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1",YRXOQXUDKDCXME-YIVRLKKSSA-N
BMGC_DG10964,BMG_DG154054,,C=1\C=C\C[C@@H](C)OC(=O)C[C@H]([C@@H]([C@H]([C@H](C[C@@H](C)[C@@H](O)\C1)CC=O)O[C@@]2(O[C@@H]([C@](O[C@H]3C[C@](C)([C@@H](OC(CC(C)C)=O)[C@H](C)O3)O)([H])[C@@H]([C@H]2O)N(C)C)C)[H])OC)O,,IEMDOFXTVAPVLX-YWQHLDGFSA-N
BMGC_DG10965,BMG_DG154060,,,,
BMGC_DG10966,BMG_DG154063,,c1(ccc(cc1)CNC(CO)CO)CC(=O)Nc2sc(cn2)SCc3oc(cn3)C(C)(C)C,,FDWQSLRDIBRKEI-UHFFFAOYSA-N
BMGC_DG10967,BMG_DG154064,CC(C)N(CCNC(=O)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2O)OC)OC)C(C)C,n1c(NC(c2cc(c(OC)cc2O)OC)=O)scc1C(=O)NCCN(C(C)C)C(C)C,"InChI=1S/C21H30N4O5S/c1-12(2)25(13(3)4)8-7-22-20(28)15-11-31-21(23-15)24-19(27)14-9-17(29-5)18(30-6)10-16(14)26/h9-13,26H,7-8H2,1-6H3,(H,22,28)(H,23,24,27)",TWHZNAUBXFZMCA-UHFFFAOYSA-N
BMGC_DG10968,BMG_DG154065,CC1=C(C=C(C=C1)[C@H](CC2CC2)N(CC#C)C3=NC(=C(S3)C)C4=C(C=C(C(=C4)C)OC)Cl)F,[C@H](N(CC#C)c1sc(c(n1)-c2cc(c(OC)cc2Cl)C)C)(CC3CC3)c4cc(F)c(cc4)C,"InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1",IEAKXXNRGSLYTQ-DEOSSOPVSA-N
BMGC_DG10969,BMG_DG154072,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4O)O,[C@]12([C@]([C@]3([C@](c4c(c(c(O)cc4)O)CC3)([H])CC1)[H])(CC[C@@H]2O)[H])C,"InChI=1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1",QOZFCKXEVSGWGS-ZHIYBZGJSA-N
BMGC_DG10970,BMG_DG154073,C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)O,c1(/C=C/C(=O)c2ccccc2)ccc(O)cc1,"InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8+",PWWCDTYUYPOAIU-DHZHZOJOSA-N
BMGC_DG10971,BMG_DG154074,C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)O,c1c(ccc(c1)C(=O)/C=C/c2ccccc2)O,"InChI=1S/C15H12O2/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11,16H/b11-6+",UAHGNXFYLAJDIN-IZZDOVSWSA-N
BMGC_DG10972,BMG_DG154075,,Oc1ccc(cc1)/C=C/c2ccc(O)cc2,,XLAIWHIOIFKLEO-OWOJBTEDSA-N
BMGC_DG10973,BMG_DG154079,CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C,c12c(C(C(C)=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)=O)cccc2,"InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+",DKHGMERMDICWDU-GHDNBGIDSA-N
BMGC_DG10974,BMG_DG154082,CCOC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C(=C(C=C1C)OC)C)C,c1(c(c(C)c(cc1C)OC)C)/C=C/C(=C/C=C/C(=C/C(=O)OCC)/C)/C,"InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+",HQMNCQVAMBCHCO-DJRRULDNSA-N
BMGC_DG10975,BMG_DG154083,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C,C1(/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C)=C(CCCC1(C)C)C,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-",SHGAZHPCJJPHSC-XFYACQKRSA-N
BMGC_DG10976,BMG_DG154084,,C(CCC/C=C/C[C@@H]1[C@H]([C@@H](C[C@@H]1O)O)CC[C@H](CCc2ccccc2)O)(=O)OC(C)C,,GGXICVAJURFBLW-RDSJPUOVSA-N
BMGC_DG10977,BMG_DG154085,CCCCC(C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O)O,C1(C[C@@H](O)[C@@H]([C@H]1CCCCCCC(=O)OC)/C=C/CC(O)(CCCC)C)=O,"InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22?/m1/s1",OJLOPKGSLYJEMD-URPKTTJQSA-N
BMGC_DG10978,BMG_DG154100,CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O)O,[C@]12([C@@]([C@@H](/C=C/[C@@H](O)CCCCC)[C@@H](C1)O)(C\C(\O2)=C\CCCC(=O)O)[H])[H],"InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1",KAQKFAOMNZTLHT-OZUDYXHBSA-N
BMGC_DG10979,BMG_DG154103,CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O.C(C(CO)(CO)N)O,[C@@H]1(/C=C/[C@@H](O)CCCCC)[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O.C(N)(CO)(CO)CO,"InChI=1S/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4-,13-12+;/t15-,16+,17+,18-,19+;/m0./s1",IYGXEHDCSOYNKY-RZHHZEQLSA-N
BMGC_DG10980,BMG_DG154111,C[NH+](C)CC/C=C\1/C2=CC=CC=C2CSC3=CC=CC=C31.[Cl-],,"InChI=1S/C19H21NS.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H/b17-11-;",XUPZAARQDNSRJB-CULRIWENSA-N
BMGC_DG10981,BMG_DG154112,CN(C)CC/C=C\1/C2=CC=CC=C2CSC3=CC=CC=C31,C1Sc2c(/C(=C\CCN(C)C)/c3c1cccc3)cccc2,"InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-",PHTUQLWOUWZIMZ-BOPFTXTBSA-N
BMGC_DG10982,BMG_DG154114,,C/1(=C\2/Nc3ccc(S(=O)(=O)O)cc3C2=O)\Nc4ccc(S(=O)(=O)O)cc4C1=O,,CFZXDJWFRVEWSR-BUHFOSPRSA-N
BMGC_DG10983,BMG_DG154124,C1=CC(=CC=C1CN2C=CN=C2)/C=C/C(=O)O,n1(cncc1)Cc2ccc(cc2)/C=C/C(=O)O,"InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+",SHZKQBHERIJWAO-AATRIKPKSA-N
BMGC_DG10984,BMG_DG154126,CC1=CC=C(C=C1)/C(=C\CN2CCCC2)/C3=CC=CC=N3,C(=C\CN1CCCC1)(\c2ccc(cc2)C)/c3ncccc3,"InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+",CBEQULMOCCWAQT-WOJGMQOQSA-N
BMGC_DG10985,BMG_DG154127,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O,[C@H]1([C@H]([C@]([H])(O[C@@H]([C@H]1O[C@]2([H])O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@]3([H])[C@@H]([C@@H](O)[C@H](O)[C@H](O3)COS(=O)(=O)O)NS(=O)(O)=O)C(O)=O)COS(=O)(=O)O)O[C@@H]4[C@@H](O[C@]([H])([C@@H]([C@H]4O)OS(=O)(=O)O)O[C@H]5[C@H](O)[C@H]([C@@H](OC)O[C@@H]5COS(=O)(=O)O)NS(=O)(O)=O)C(O)=O)NS(=O)(=O)O)OS(=O)(=O)O,"InChI=1S/C31H53N3O49S8/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-/m1/s1",KANJSNBRCNMZMV-ABRZTLGGSA-N
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BMGC_DG10988,BMG_DG154136,COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)CC(=O)N3CCCC3,C(N1CCCC1)(CN2CCN(CC2)C(/C=C/c3cc(OC)c(c(c3)OC)OC)=O)=O,"InChI=1S/C22H31N3O5/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24/h6-7,14-15H,4-5,8-13,16H2,1-3H3/b7-6+",RCUDFXMNPQNBDU-VOTSOKGWSA-N
BMGC_DG10989,BMG_DG154150,CCCCCCCC/C=C\CCCCCCCC(=O)O.C(CO)N,C(=O)(O)CCCCCCC/C=C\CCCCCCCC.NCCO,"InChI=1S/C18H34O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,1-3H2/b10-9-;",KGWDUNBJIMUFAP-KVVVOXFISA-N
BMGC_DG10990,BMG_DG154151,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)OC(=O)C5=CC=CC=C5)C)O)F)C,[C@]12([C@](OC(=O)c3ccccc3)([C@@H](C)C[C@]1([C@@]4(CCC=5[C@@]([C@]4([C@H](C2)O)F)(C=CC(=O)C5)C)[H])[H])C(=O)CO)C,"InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1",SOQJPQZCPBDOMF-YCUXZELOSA-N
BMGC_DG10991,BMG_DG154152,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)COC(=O)C(C)(C)C)C)O)Cl)C)F,[C@]12([C@@]3([C@@]([C@@]4(C[C@@H](C)[C@@H]([C@]4(C[C@@H]3O)C)C(COC(C(C)(C)C)=O)=O)[H])([H])C[C@@H](C1=CC(C=C2)=O)F)Cl)C,"InChI=1S/C27H36ClFO5/c1-14-9-16-17-11-19(29)18-10-15(30)7-8-26(18,6)27(17,28)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1",SXYZQZLHAIHKKY-GSTUPEFVSA-N
BMGC_DG10992,BMG_DG154153,CCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO,[C@@]12([C@@](C(=O)CO)(CC[C@]2([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)[H])(CCC(C4)=O)C)[H])[H])OC(=O)CCCC)C,"InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",FZCHYNWYXKICIO-FZNHGJLXSA-N
BMGC_DG10993,BMG_DG154160,C[C@@H](C(=O)N[C@@H](C)C(=O)NC1[C@H]2[C@@H]1CN(C2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F)N.CS(=O)(=O)O,c12n(cc(C(=O)O)c(=O)c1cc(c(N3C[C@@]4([H])[C@]([H])([C@@H]4NC([C@@H](NC(=O)[C@@H](N)C)C)=O)C3)n2)F)-c5c(cc(cc5)F)F.S(=O)(=O)(O)C,"InChI=1S/C26H25F3N6O5.CH4O3S/c1-10(30)24(37)31-11(2)25(38)32-20-14-7-34(8-15(14)20)23-18(29)6-13-21(36)16(26(39)40)9-35(22(13)33-23)19-4-3-12(27)5-17(19)28;1-5(2,3)4/h3-6,9-11,14-15,20H,7-8,30H2,1-2H3,(H,31,37)(H,32,38)(H,39,40);1H3,(H,2,3,4)/t10-,11-,14-,15+,20?;/m0./s1",CYETUYYEVKNSHZ-RSUMCGCKSA-N;CYETUYYEVKNSHZ-LGOOQLFJSA-N
BMGC_DG10994,BMG_DG154161,CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCN3C[C@@H](C[C@@H](C3)C)C)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC,O[C@@H]1CC(=O)O[C@H](CC)[C@@H](CO[C@@H]2O[C@@H]([C@H]([C@H]([C@H]2OC)OC)O)C)/C=C(\C)/C=C/C([C@@H](C[C@H](CCN3C[C@@H](C[C@@H](C3)C)C)[C@H](O[C@@]4([H])[C@H](O)[C@H]([C@H](O)[C@H](O4)C)N(C)C)[C@H]1C)C)=O,"InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1",JTSDBFGMPLKDCD-XVFHVFLVSA-N
BMGC_DG10995,BMG_DG154164,C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)O)C,[N+]1(C)(C)[C@@H]2C[C@H](C[C@H]1CC2)OC(=O)C(c3ccccc3)O,"InChI=1S/C17H24NO3/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12/h3-7,13-16,19H,8-11H2,1-2H3/q+1/t13-,14+,15?,16?",WKWOJBUWWZTUQV-SPUOUPEWSA-N;WKWOJBUWWZTUQV-PJPHBNEVSA-N
BMGC_DG10996,BMG_DG154165,CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)O,N1([C@@H]2C[C@@H](OC(C(c3ccccc3)O)=O)C[C@H]1CC2)C,"InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14?,15?",ZTVIKZXZYLEVOL-MCOXGKPRSA-N;ZTVIKZXZYLEVOL-DGKWVBSXSA-N
BMGC_DG10997,BMG_DG154200,CCCCCC/C=C\CCCCCCCCCC(=O)O,C(CCCCCCCCC/C=C\CCCCCC)(=O)O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-",UWHZIFQPPBDJPM-FPLPWBNLSA-N
BMGC_DG10998,BMG_DG154202,CCCCCCCC/C=C\CCCCCCCCCC(=O)O,C(CCCCCCCCC/C=C\CCCCCCCC)(=O)O,"InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9-",BITHHVVYSMSWAG-KTKRTIGZSA-N
BMGC_DG10999,BMG_DG154215,CCCCC/C=C\C=C\CCCCCCCCC(=O)O,C(CCCCCCCC/C=C/C=C\CCCCC)(O)=O,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+",GKJZMAHZJGSBKD-NMMTYZSQSA-N
BMGC_DG11000,BMG_DG154233,CCCCC/C=C\C=C\C(CCCCCCCC(=O)O)O,OC(CCCCCCCC(O)=O)/C=C/C=C\CCCCC,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+",NPDSHTNEKLQQIJ-ZJHFMPGASA-N
BMGC_DG11001,BMG_DG154264,,C(O)(=O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)CCCCC,,GMVPRGQOIOIIMI-CHCORRSHSA-N
BMGC_DG11002,BMG_DG154275,,c1ccc(cc1)CC[C@H](O)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(O)=O,,YFHHIZGZVLHBQZ-KDACTHKWSA-N
BMGC_DG11003,BMG_DG154277,,C(O)(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)CCCCC,,XEYBRNLFEZDVAW-GKEZHNTDSA-N
BMGC_DG11004,BMG_DG154279,,[C@@H]1([C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC)/C=C/[C@@H](O)CCCCC,,PJDMFGSFLLCCAO-NVRZHKMMSA-N
BMGC_DG11005,BMG_DG154282,,CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCc2ccccc2,,JGZRPRSJSQLFBO-FWPUOYPASA-N
BMGC_DG11006,BMG_DG154283,,C(O)(=O)CCC/C=C/C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCC,,XEYBRNLFEZDVAW-BRNHSORCSA-N
BMGC_DG11007,BMG_DG154290,CCCCC/C=C\C[C@H](/C=C/C=C/C=C/[C@H](CCCC(=O)O)O)O,,"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11+/t18-,19-/m1/s1",VNYSSYRCGWBHLG-UKNWISKWSA-N
BMGC_DG11008,BMG_DG154305,CCCCC/C=C\C/C=C\C=C\[C@H](C/C=C\CCCC(=O)O)O,,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1",NLUNAYAEIJYXRB-VYOQERLCSA-N
BMGC_DG11009,BMG_DG154306,CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)O,CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)O,"InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1",ZNHVWPKMFKADKW-LQWMCKPYSA-N
BMGC_DG11010,BMG_DG154308,C(CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)CCO,,"InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-",NNDIXBJHNLFJJP-DTLRTWKJSA-N
BMGC_DG11011,BMG_DG154310,CCCCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCC(=O)O,,"InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+",MEASLHGILYBXFO-XTDASVJISA-N
BMGC_DG11012,BMG_DG154311,CCCCC/C=C\CC(=O)/C=C/C=C\C/C=C\CCCC(=O)O,,"InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+",GURBRQGDZZKITB-VXBMJZGYSA-N
BMGC_DG11013,BMG_DG154314,CCCCC[C@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)O,,"InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m1/s1",JSFATNQSLKRBCI-UDQWCNDOSA-N
BMGC_DG11014,BMG_DG154366,CCCCCC(/C=C/C=O)O,CCCCCC(/C=C/C=O)O,"InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+",JVJFIQYAHPMBBX-FNORWQNLSA-N
BMGC_DG11015,BMG_DG154379,CCCCCCCC/C=C/CCCCCCCC=O,O=CCCCCCCC\C=C\CCCCCCCC,"InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18H,2-8,11-17H2,1H3/b10-9+",ZENZJGDPWWLORF-MDZDMXLPSA-N
BMGC_DG11016,BMG_DG154381,CCCCCCCC/C=C\CCCCCCCC(=O)N,CCCCCCCC/C=C\CCCCCCCC(=O)N,"InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-",FATBGEAMYMYZAF-KTKRTIGZSA-N
BMGC_DG11017,BMG_DG154382,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(O)=O,"InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-,13-12-,16-15-",YLEARPUNMCCKMP-DOFZRALJSA-N
BMGC_DG11018,BMG_DG154383,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N,,"InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H2,21,22)/b7-6-,10-9-,13-12-,16-15-",BNBSCAZCQDLUDU-DOFZRALJSA-N
BMGC_DG11019,BMG_DG154384,CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C(CCCCCCC/C=C\C/C=C\CCCCC)(NCCO)=O,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",KQXDGUVSAAQARU-HZJYTTRNSA-N
BMGC_DG11020,BMG_DG154388,CCCCCCCC/C=C\CCCCCCCC(=O)NCCO,O=C(NCCO)CCCCCCC/C=C\CCCCCCCC,"InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-",BOWVQLFMWHZBEF-KTKRTIGZSA-N
BMGC_DG11021,BMG_DG154389,CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O,C(=O)(OCC(O)CO)CCCCCCC/C=C\CCCCCCCC,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-",RZRNAYUHWVFMIP-KTKRTIGZSA-N
BMGC_DG11022,BMG_DG154406,CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C,C1(C(=C(C(c2ccccc12)=O)C)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)=O,"InChI=1S/C41H56O2/c1-30(2)16-11-17-31(3)18-12-19-32(4)20-13-21-33(5)22-14-23-34(6)24-15-25-35(7)28-29-37-36(8)40(42)38-26-9-10-27-39(38)41(37)43/h9-10,16,18,20,22,24,26-28H,11-15,17,19,21,23,25,29H2,1-8H3/b31-18+,32-20+,33-22+,34-24+,35-28+",PFRQBZFETXBLTP-RCIYGOBDSA-N
BMGC_DG11023,BMG_DG154408,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O,N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O,"InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1",DUYSYHSSBDVJSM-KRWOKUGFSA-N
BMGC_DG11024,BMG_DG154411,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O,[C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)(NC(CCCCCCCCCCCCCCC)=O)CO,"InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1",YDNKGFDKKRUKPY-TURZORIXSA-N
BMGC_DG11025,BMG_DG154436,,[C@@]12([C@]3([C@@]([C@@]([C@@H](CCCC(C)C)C)(CC3)[H])(CC[C@@]1([C@@]4(C(=CC2=O)C=CCC4)C)[H])C)[H])[H],,TTXJJFWWNDJDNR-CZRUWHASSA-N
BMGC_DG11026,BMG_DG154442,C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1",SGNBVLSWZMBQTH-ZRUUVFCLSA-N
BMGC_DG11027,BMG_DG154451,C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C,,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18,20-22,24-26,29H,3,7-9,11-17H2,1-2,4-6H3/t20-,21+,22+,24-,25+,26+,27+,28-/m1/s1",BTCAEOLDEYPGGE-JVAZTMFWSA-N
BMGC_DG11028,BMG_DG154452,,C[C@@]12[C@@]([H])([C@H](C)/C=C/[C@H](CC)C(C)C)CC[C@@]1([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC2,,JZVFJDZBLUFKCA-INYURWPISA-N
BMGC_DG11029,BMG_DG154464,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C,[C@]12([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CCC1)(CC[C@@]2([C@@H](CCCC(O)(C)C)C)[H])[H])C,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1",JWUBBDSIWDLEOM-DTOXIADCSA-N
BMGC_DG11030,BMG_DG154465,C[C@H](CC[C@H](C(C)C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,C1[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@]2(CC[C@]3([H])[C@@H](CC[C@H](C(C)C)O)C)[H])C)/C[C@H]1O,"InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1",BJYLYJCXYAMOFT-RSFVBTMBSA-N
BMGC_DG11031,BMG_DG154466,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C,[C@H]1(O)C[C@H](O)C/C(/C1=C)=C\C=C/2\[C@]3([C@]([C@@H]([C@@H](CCCC(C)(O)C)C)CC3)(C)CCC2)[H],"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11+/t18-,22-,23-,24+,25+,27-/m1/s1",GMRQFYUYWCNGIN-DRQJEBLXSA-N
BMGC_DG11032,BMG_DG154469,C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C,[C@]12([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CCC1)(CC[C@@]2([C@@H](CC[C@H](C(C)(C)O)O)C)[H])[H])C,"InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25-,27-/m1/s1",FCKJYANJHNLEEP-XRWYNYHCSA-N
BMGC_DG11033,BMG_DG154476,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,[C@]12([C@@]3([C@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@H](CCC(=O)O)C)[H])[H])(C[C@@H]([C@@]1(C[C@H](O)CC2)[H])O)[H])[H])C,"InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1",DGABKXLVXPYZII-SIBKNCMHSA-N
BMGC_DG11034,BMG_DG154477,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,[C@]12([C@](CC[C@@]1([H])[C@@]3(C[C@H]([C@]4([C@@](CC[C@@H](O)C4)(C)[C@@]3([H])CC2)[H])O)[H])([C@@H](CCC(=O)O)C)[H])C,"InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21-,23-,24-/m1/s1",DGABKXLVXPYZII-PLYQRAMGSA-N
BMGC_DG11035,BMG_DG154506,,C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])([C@@H](CCC(=O)O)C)[H])C)[H])C)=O,,KIQFUORWRVZTHT-OPTMKGCMSA-N
BMGC_DG11036,BMG_DG154507,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)C,[C@]12([C@]([C@@]3([C@@H](C[C@]4([C@@]([C@]3(CC1)[H])(CCC(=O)C4)C)[H])O)[H])(CC[C@@]2([C@@H](CCC(=O)O)C)[H])[H])C,"InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-15,17-20,22,26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,17-,18+,19+,20-,22+,23+,24-/m1/s1",KNVADAPHVNKTEP-CIGXQKLNSA-N
BMGC_DG11037,BMG_DG154517,,[C@H]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3([C@H](C[C@@]2(C1)[H])O)[H])[H])([C@@H](CCCO)C)[H])C)[H])C)O,,NGALQDLKWWSXMK-ULQOMZCQSA-N
BMGC_DG11038,BMG_DG154544,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O,,"InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23?,24+,25+,31-,32+;/m1./s1",NOJMTMIRQRDZMT-JGYCFGIMSA-N
BMGC_DG11039,BMG_DG154546,[Cl-].[Cl-].[Ca+2],[Ca+2].[Cl-].[Cl-],InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2,UXVMQQNJUSDDNG-UHFFFAOYSA-L
BMGC_DG11040,BMG_DG154553,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,[C@]123[C@@]4([C@H](N(CC1)C)Cc5ccc(OC)c(c52)O[C@]3([C@@H](O)C=C4)[H])[H],"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1",OROGSEYTTFOCAN-DNJOTXNNSA-N
BMGC_DG11041,BMG_DG154554,CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,[C@@]1(N(C([C@@H](N(C([C@@H](N(C([C@@H](N(C([C@H](NC([C@@H](NC([C@@H](N(C([C@@H](NC([C@@H](N(C(CN(C([C@@H](NC1=O)CC)=O)C)=O)C)CC(C)C)=O)C(C)C)=O)C)CC(C)C)=O)C)=O)C)=O)C)CC(C)C)=O)C)CC(C)C)=O)C)C(C)C)=O)C)([C@@H]([C@@H](C/C=C/C)C)O)[H],"InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1",PMATZTZNYRCHOR-CGLBZJNRSA-N
BMGC_DG11042,BMG_DG154559,C([C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O)Br,[C@H](O)([C@H](O)CBr)[C@H](O)[C@@H](O)CBr,"InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4+,5+,6-",VFKZTMPDYBFSTM-GUCUJZIJSA-N
BMGC_DG11043,BMG_DG154566,,C1(Nc2ccc(C3=NNC(CC3)=O)cc2C1(C)C)=O,,LZCQFJKUAIWHRW-UHFFFAOYSA-N
BMGC_DG11044,BMG_DG154585,C1=CC=C(C=C1)/C(=C\CCCCC(=O)O)/C2=CN=CC=C2,C(\c1cnccc1)(/c2ccccc2)=C/CCCCC(=O)O,"InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11+",UWPBQLKEHGGKKD-GZTJUZNOSA-N
BMGC_DG11045,BMG_DG154588,C[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]3[C@H](O3)/C=C/C(=O)O1)O)O)O)C(=O)O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)C)O)N)O,[C@]12(O[C@](C[C@@](O[C@H]3[C@H]([C@@H](N)[C@@H]([C@H](O3)C)O)O)(\C=C\C=C\C=C\C=C\C[C@H](OC(\C=C\[C@@]4([C@](O4)(C[C@@H](C1)O)[H])[H])=O)C)[H])([H])[C@@H]([C@H](C2)O)C(=O)O)O,"InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32+,33-/m1/s1",NCXMLFZGDNKEPB-FFPOYIOWSA-N
BMGC_DG11046,BMG_DG154592,CN1[C@H]2CC(C[C@H]1[C@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4,,"InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t12-,13+,14+,15+,16+/m1/s1",STECJAGHUSJQJN-YXMSTPNBSA-N
BMGC_DG11047,BMG_DG154618,C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)OC(=O)C)O,[C@]12([C@@]([C@@H](C3=CC(=O)OC3)CC1)(CC[C@@]4([C@]5(CC[C@H](O[C@@]6(O[C@H](C)[C@H]([C@H](C6)O)O[C@@]7(O[C@H](C)[C@H]([C@H](C7)O)O[C@@]8(O[C@H](C)[C@H]([C@H](C8)OC(=O)C)O)[H])[H])[H])C[C@]5(CC[C@@]24[H])[H])C)[H])C)O,"InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1",HPMZBILYSWLILX-UMDUKNJSSA-N
BMGC_DG11048,BMG_DG154619,CC1=CC(=C(C(=C1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)OC,c1(c(c(C)c(cc1C)OC)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,"InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+",IHUNBGSDBOWDMA-AQFIFDHZSA-N
BMGC_DG11049,BMG_DG154620,CC1=CC=C(C=C1)/C(=C\CN2CCCC2)/C3=CC=CC(=N3)/C=C/C(=O)O,C(=C/CN1CCCC1)(\c2nc(\C=C\C(=O)O)ccc2)/c3ccc(cc3)C,"InChI=1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+",PWACSDKDOHSSQD-IUTFFREVSA-N
BMGC_DG11050,BMG_DG154626,CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)OC=O)SC2)C(=O)O,,"InChI=1S/C19H18N6O6S2/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30)/t12-,14-,17-/m1/s1",RRJHESVQVSRQEX-SUYBPPKGSA-N
BMGC_DG11051,BMG_DG154628,COC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O,N12C([C@@H](NC([C@@H](C=3CC=CCC3)N)=O)[C@]1(SCC(=C2C(=O)O)OC)[H])=O,"InChI=1S/C16H19N3O5S/c1-24-9-7-25-15-11(14(21)19(15)12(9)16(22)23)18-13(20)10(17)8-5-3-2-4-6-8/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1",RDMOROXKXONCAL-UEKVPHQBSA-N
BMGC_DG11052,BMG_DG154629,CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Cl)C)O,C1=2[C@@]([C@@]3([C@@]([C@]4([C@]([C@](C(=O)C)(O)CC4)(C)CC3)[H])([H])C=C1Cl)[H])(CCC(C2)=O)C,"InChI=1S/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1",VUHJZBBCZGVNDZ-TTYLFXKOSA-N
BMGC_DG11053,BMG_DG154630,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C=C(C4=CC(=O)C=C[C@]34C)Cl)O,[C@@]12([C@@]3([C@@]([C@@]4(CC[C@@](C(CO)=O)(O)[C@@]4(C)C[C@@H]3O)[H])([H])C=C(C2=CC(=O)C=C1)Cl)[H])C,"InChI=1S/C21H25ClO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7-8,12-13,16,18,23,25,27H,4,6,9-10H2,1-2H3/t12-,13-,16-,18+,19-,20-,21-/m0/s1",YTJIBEDMAQUYSZ-FDNPDPBUSA-N
BMGC_DG11054,BMG_DG154631,CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)O,[C@]12([C@@]3([C@@](C3)(C(C=C2C(Cl)=C[C@@]4([C@@]1(CC[C@@]5([C@](C(=O)C)(O)CC[C@@]45[H])C)[H])[H])=O)[H])[H])C,"InChI=1S/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15-,16-,20-,21-,22-/m0/s1",DUSHUSLJJMDGTE-ZJPMUUANSA-N
BMGC_DG11055,BMG_DG154635,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O,[C@@]123c4c5c(ccc4C[C@H]([C@@]1(CC[C@@H]([C@@]2(O5)[H])O)[H])N(CC3)C)OC,"InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1",RBOXVHNMENFORY-DNJOTXNNSA-N
BMGC_DG11056,BMG_DG154637,CCN[C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C,c12S([C@@H](C)C[C@@H](c1cc(s2)S(=O)(=O)N)NCC)(=O)=O,"InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1",IAVUPMFITXYVAF-XPUUQOCRSA-N
BMGC_DG11057,BMG_DG154638,CN(C)CC/C=C/1\C2=CC=CC=C2CSC3=CC=CC=C31,C1Sc2c(/C(=C/CCN(C)C)/c3c1cccc3)cccc2,"InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+",PHTUQLWOUWZIMZ-GZTJUZNOSA-N
BMGC_DG11058,BMG_DG154639,C[N@+]1(CCC2=CC(=C(C(=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOC(=O)CCC(=O)OCCC[N@+]4(CCC5=CC(=C(C(=C5[C@@H]4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)OC)C.[Cl-].[Cl-],c1(cc(c(c(c1)OC)OC)OC)C[C@@H]2[N@+](CCc3cc(c(c(c32)OC)OC)OC)(CCCOC(CCC(OCCC[N@+]4(C)CCc5cc(c(c(c5[C@H]4Cc6cc(c(c(OC)c6)OC)OC)OC)OC)OC)=O)=O)C.[Cl-].[Cl-],"InChI=1S/C56H78N2O16.2ClH/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6;;/h29-34,39-40H,15-28H2,1-14H3;2*1H/q+2;;/p-2/t39-,40+,57-,58+;;",APADFLLAXHIMFU-LGIHQUBZSA-L
BMGC_DG11059,BMG_DG154640,C[N@+]1(CCC2=CC(=C(C(=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOC(=O)CCC(=O)OCCC[N@+]4(CCC5=CC(=C(C(=C5[C@@H]4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)OC)C,c1(cc(c(c(c1)OC)OC)OC)C[C@@H]2[N@+](CCc3cc(c(c(c32)OC)OC)OC)(CCCOC(CCC(OCCC[N@+]4(C)CCc5cc(c(c(c5[C@H]4Cc6cc(c(c(OC)c6)OC)OC)OC)OC)OC)=O)=O)C,"InChI=1S/C56H78N2O16/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6/h29-34,39-40H,15-28H2,1-14H3/q+2/t39-,40+,57-,58+",GBLRQXKSCRCLBZ-IYQFLEDGSA-N
BMGC_DG11060,BMG_DG154641,C([C@H]([C@H](CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-],[N+](O[C@@H]([C@@H](O[N+]([O-])=O)CO[N+]([O-])=O)CO[N+]([O-])=O)([O-])=O,"InChI=1S/C4H6N4O12/c9-5(10)17-1-3(19-7(13)14)4(20-8(15)16)2-18-6(11)12/h3-4H,1-2H2/t3-,4+",SNFOERUNNSHUGP-ZXZARUISSA-N
BMGC_DG11061,BMG_DG154643,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.C1CNCCN1,S(Oc1cc2CC[C@]3([C@]4([C@](CC[C@@]3(c2cc1)[H])(C(CC4)=O)C)[H])[H])(=O)(=O)O.N1CCNCC1,"InChI=1S/C18H22O5S.C4H10N2/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;1-2-6-4-3-5-1/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);5-6H,1-4H2/t14-,15-,16+,18+;/m1./s1",HZEQBCVBILBTEP-ZFINNJDLSA-N
BMGC_DG11062,BMG_DG154645,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C,[C@]12(C(=CC(CC1)=O)CC[C@]3([C@@]4(CC[C@]([C@]4(CC[C@]23[H])C)(C#C)O)[H])[H])C,"InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1",CHNXZKVNWQUJIB-CEGNMAFCSA-N
BMGC_DG11063,BMG_DG154649,CN1[C@@H]2CCC[C@H]1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C,c1(nn(C)c2c1cccc2)C(N[C@H]3C[C@H]4CCC[C@H](N4C)C3)=O,"InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12?,13-,14+",MFWNKCLOYSRHCJ-BTTYYORXSA-N;MFWNKCLOYSRHCJ-AGUYFDCRSA-N
BMGC_DG11064,BMG_DG154650,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)CC4,[C@@]123c4c5c(OC)ccc4C[C@H]([C@@]1(CCC([C@@]2(O5)[H])=O)[H])N(CC3)C,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1",LLPOLZWFYMWNKH-CMKMFDCUSA-N
BMGC_DG11065,BMG_DG154651,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)CC4,[C@@]123c4c5c(O)ccc4C[C@H]([C@@]1(CCC([C@@H]2O5)=O)[H])N(CC3)C,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1",WVLOADHCBXTIJK-YNHQPCIGSA-N
BMGC_DG11066,BMG_DG154656,CC[C@@H](C(=O)N)N1CCCC1=O,C1CN([C@@H](CC)C(=O)N)C(=O)C1,"InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1",HPHUVLMMVZITSG-LURJTMIESA-N
BMGC_DG11067,BMG_DG154658,C1CC(=C(N2[C@H]1[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl,N12C(=O)[C@H]([C@]1(CCC(=C2C(=O)O)Cl)[H])NC([C@@H](c3ccccc3)N)=O,"InChI=1S/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/t10-,11-,12+/m1/s1",JAPHQRWPEGVNBT-UTUOFQBUSA-N
BMGC_DG11068,BMG_DG154660,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3C(=O)C[C@@]2([C@]1(C(=O)CO)O)C)C,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(C(C1)=O)[H])(C=CC(=O)C4)C)[H])(C[C@@H]([C@@]2(C(=O)CO)O)C)[H])C,"InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-16,19,23,27H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19+,20-,21-,22-/m0/s1",PIDANAQULIKBQS-RNUIGHNZSA-N
BMGC_DG11069,BMG_DG154662,CCCCCCC(C)(C)C1=CC(=C2[C@@H]3CC(=O)CC[C@H]3C(OC2=C1)(C)C)O,c12[C@]3([C@](CCC(C3)=O)([H])C(Oc1cc(C(CCCCCC)(C)C)cc2O)(C)C)[H],"InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1",GECBBEABIDMGGL-RTBURBONSA-N
BMGC_DG11070,BMG_DG154663,C=C1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O,[C@]123[C@@]4([C@H](N(CC1)CC5CC5)Cc6c2c(c(O)cc6)O[C@]3(C(CC4)=C)[H])O,"InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1",WJBLNOPPDWQMCH-MBPVOVBZSA-N
BMGC_DG11071,BMG_DG154664,C=CCN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O,[C@@]123c4c5c(O)ccc4C[C@H]([C@@]1(C=C[C@@H]([C@@]2(O5)[H])O)[H])N(CC=C)CC3,"InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1",UIQMVEYFGZJHCZ-SSTWWWIQSA-N
BMGC_DG11072,BMG_DG154665,C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O,[C@]123[C@@]4([C@H](N(CC=C)CC1)Cc5c2c(c(O)cc5)O[C@]3(C(CC4)=O)[H])O,"InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1",UZHSEJADLWPNLE-GRGSLBFTSA-N
BMGC_DG11073,BMG_DG154666,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=CC(=O)CC[C@H]34,[C@]12([C@]([C@]3([C@]([C@@]4(C(=CC(=O)CC4)CC3)[H])([H])CC1)[H])(CC[C@@]2(O)C)[H])C,"InChI=1S/C19H28O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h11,14-17,21H,3-10H2,1-2H3/t14-,15+,16+,17-,18-,19-/m0/s1",ZXSWTMLNIIZPET-ZOFHRBRSSA-N
BMGC_DG11074,BMG_DG154669,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O,[C@]123[C@@]4([C@](N(CC1)C)(Cc5c2c(c(OC)cc5)O[C@]3(C(CC4)=O)[H])[H])O,"InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1",BRUQQQPBMZOVGD-XFKAJCMBSA-N
BMGC_DG11075,BMG_DG154670,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O,[C@]123[C@@]4([C@H](N(C)CC1)Cc5c2c(c(cc5)O)O[C@H]3C(CC4)=O)O,"InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1",UQCNKQCJZOAFTQ-ISWURRPUSA-N
BMGC_DG11076,BMG_DG154671,CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C1(=O)c2ccccc2C(C(=C1C/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)C)=O,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",MBWXNTAXLNYFJB-NKFFZRIASA-N
BMGC_DG11077,BMG_DG154674,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O,[C@]12([C@@]([C@@H](c3coc(=O)cc3)CC1)(CC[C@@]4([C@@]5(C(=C[C@@H](O[C@]6([C@@H]([C@@H]([C@@H](O)[C@@H](O6)C)O)O)[H])CC5)CC[C@@]24[H])C)[H])C)O,"InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1",MYEJFUXQJGHEQK-ALRJYLEOSA-N
BMGC_DG11078,BMG_DG154676,C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC,C1([C@@]2(O[C@@](C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@@H](C)C([C@@H]([C@@H](/C(=C/[C@H](C(C[C@](OC([C@]3(N(C1=O)CCCC3)[H])=O)([C@@H](C[C@H]4C[C@@H](OC)[C@@H](CC4)O)C)[H])=O)C)/C)O)OC)=O)C)/C)OC)([H])CC[C@H]2C)O)=O,"InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1",QFJCIRLUMZQUOT-HPLJOQBZSA-N
BMGC_DG11079,BMG_DG154678,CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C,[C@@]12([C@]([C@@]3(OC(C)(C)O[C@@]3(CO1)[H])[H])(OC(O2)(C)C)[H])COS(=O)(=O)N,"InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1",KJADKKWYZYXHBB-XBWDGYHZSA-N
BMGC_DG11080,BMG_DG154679,C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-],[N+]12([C@@H]3C[C@@H](OC(C(c4ccccc4)(c5ccccc5)O)=O)C[C@H]1CC3)CCCC2.[Cl-],"InChI=1S/C25H30NO3.ClH/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26;/h1-6,9-12,21-23,28H,7-8,13-18H2;1H/q+1;/p-1/t21-,22+,23?;",RVCSYOQWLPPAOA-DHWZJIOFSA-M;RVCSYOQWLPPAOA-QKYUOBHYSA-M
BMGC_DG11081,BMG_DG154680,C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O,[N+]12([C@@H]3C[C@@H](OC(C(c4ccccc4)(c5ccccc5)O)=O)C[C@H]1CC3)CCCC2,"InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1/t21-,22+,23?",OYYDSUSKLWTMMQ-AIZNXBIQSA-N;OYYDSUSKLWTMMQ-JKHIJQBDSA-N
BMGC_DG11082,BMG_DG154681,CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@H](C(C)C)C(=O)O,N([C@@H](C(=O)O)C(C)C)(C(=O)CCCC)Cc1ccc(-c2c(-c3nnn[nH]3)cccc2)cc1,"InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m1/s1",ACWBQPMHZXGDFX-JOCHJYFZSA-N
BMGC_DG11083,BMG_DG154682,CC/C=C(\C)/C1(C(=O)NC(=O)NC1=O)CC,C1(C(NC(=O)NC1=O)=O)(/C(=C/CC)/C)CC,"InChI=1S/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h6H,4-5H2,1-3H3,(H2,12,13,14,15,16)/b7-6+",RAFOHKSPUDGZPR-VOTSOKGWSA-N
BMGC_DG11084,BMG_DG154684,CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=C(C=C3)O,,"InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-",DODQJNMQWMSYGS-QPLCGJKRSA-N
BMGC_DG11085,BMG_DG154687,C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)O)O)O,c1(c(c2ccc(cc2oc1)O)=O)-c3cc(O)c(cc3)O,"InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H",DDKGKOOLFLYZDL-UHFFFAOYSA-N
BMGC_DG11086,BMG_DG154688,C1=CC(=CC=C1C2=COC3=CC(=C(C=C3C2=O)O)O)O,c1c(c(c2c(o1)cc(c(c2)O)O)=O)-c3ccc(cc3)O,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H",GYLUFQJZYAJQDI-UHFFFAOYSA-N
BMGC_DG11087,BMG_DG154689,,Oc1ccc(/C=C/c2ccccc2)cc1,,QVLMUEOXQBUPAH-VOTSOKGWSA-N
BMGC_DG11088,BMG_DG154705,,,,
BMGC_DG11089,BMG_DG154707,,,,
BMGC_DG11090,BMG_DG154710,,,,
BMGC_DG11091,BMG_DG154711,C1=C[C@H]([C@@H](C(=C1)C(=O)CCC(=O)O)C(=O)O)O,,"InChI=1S/C11H12O6/c12-7(4-5-9(14)15)6-2-1-3-8(13)10(6)11(16)17/h1-3,8,10,13H,4-5H2,(H,14,15)(H,16,17)/t8-,10-/m1/s1",QJYRAJSESKVEAE-PSASIEDQSA-N
BMGC_DG11092,BMG_DG154712,,,,
BMGC_DG11093,BMG_DG154714,,,,
BMGC_DG11094,BMG_DG154717,,,,
BMGC_DG11095,BMG_DG154718,,,,
BMGC_DG11096,BMG_DG154719,,,,
BMGC_DG11097,BMG_DG154720,,O=Cc1ccccc1OP(=O)(O)O,,BYNSFVCWJXZPOW-UHFFFAOYSA-N
BMGC_DG11098,BMG_DG154721,,,,
BMGC_DG11099,BMG_DG154722,,,,
BMGC_DG11100,BMG_DG154723,,,,
BMGC_DG11101,BMG_DG154724,,,,
BMGC_DG11102,BMG_DG154725,,,,
BMGC_DG11103,BMG_DG154726,,,,
BMGC_DG11104,BMG_DG154732,,,,
BMGC_DG11105,BMG_DG154733,,,,
BMGC_DG11106,BMG_DG154735,,,,
BMGC_DG11107,BMG_DG154738,,,,
BMGC_DG11108,BMG_DG154739,,,,
BMGC_DG11109,BMG_DG154741,,,,
BMGC_DG11110,BMG_DG154742,C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3)OS(=O)(=O)N,S(=O)(=O)(Oc1ccc2c(oc(c3c2CCCCC3)=O)c1)N,"InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)",DSLPMJSGSBLWRE-UHFFFAOYSA-N
BMGC_DG11111,BMG_DG154743,,,,
BMGC_DG11112,BMG_DG154744,,c12c(nc[nH]1)ncnc2C,,SYMHUEFSSMBHJA-UHFFFAOYSA-N
BMGC_DG11113,BMG_DG154745,,,,
BMGC_DG11114,BMG_DG154746,CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C,C1(=C(C(=O)c2c(C1=O)cccc2)C)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C,"InChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+",RAKQPZMEYJZGPI-LJWNYQGCSA-N
BMGC_DG11115,BMG_DG154747,,,,
BMGC_DG11116,BMG_DG154748,,,,
BMGC_DG11117,BMG_DG154750,,,,
BMGC_DG11118,BMG_DG154754,,,,
BMGC_DG11119,BMG_DG154757,,,,
BMGC_DG11120,BMG_DG154760,,,,
BMGC_DG11121,BMG_DG154762,,,,
BMGC_DG11122,BMG_DG154764,C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O1)O)O,O[C@@H]1/C=C/C(=O)O[C@@H](C)CCC/C=C/[C@]2([H])C[C@H](O)C[C@]21[H],"InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1",KQNZDYYTLMIZCT-KQPMLPITSA-N
BMGC_DG11123,BMG_DG154765,,,,
BMGC_DG11124,BMG_DG154768,,,,
BMGC_DG11125,BMG_DG154770,COC1=C(C=C2C3=C(C4=CC5=C(C=C4C3)OCO5)[NH+]=CC2=C1)OC,,"InChI=1S/C19H15NO4/c1-21-15-5-11-8-20-19-13-7-18-17(23-9-24-18)4-10(13)3-14(19)12(11)6-16(15)22-2/h4-8H,3,9H2,1-2H3/p+1",LXDREMZQGAILJU-UHFFFAOYSA-O
BMGC_DG11126,BMG_DG154772,,,,
BMGC_DG11127,BMG_DG154773,,,,
BMGC_DG11128,BMG_DG154774,,,,
BMGC_DG11129,BMG_DG154775,,C1CC=C(/C(=C/C=C(/C=C/C=C(/C=C)\C)\C)/C1(C)C)C,,FWNRILWHNGFAIN-OYUWDNMLSA-N
BMGC_DG11130,BMG_DG154776,,,,
BMGC_DG11131,BMG_DG154777,,,,
BMGC_DG11132,BMG_DG154779,,,,
BMGC_DG11133,BMG_DG154780,C/C(=C\C(=O)O)/C=C/C=C(\C)/C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C,c1(cc(C(C)(C)C)cc(c1)C(C)(C)C)/C(=C/C=C/C(=C/C(=O)O)/C)/C,"InChI=1S/C23H32O2/c1-16(12-21(24)25)10-9-11-17(2)18-13-19(22(3,4)5)15-20(14-18)23(6,7)8/h9-15H,1-8H3,(H,24,25)/b10-9+,16-12+,17-11+",JMPZTWDLOGTBPM-OUQSKUGOSA-N
BMGC_DG11134,BMG_DG154781,,,,
BMGC_DG11135,BMG_DG154784,,,,
BMGC_DG11136,BMG_DG154787,,,,
BMGC_DG11137,BMG_DG154788,,OC(=O)c1c(c(ccc1)O)C(=O)c2c(cc(cc2O)C(=O)O[C@H]3[C@@H](CNCCC3)NC(=O)c4ccc(cc4)O)O,,XYUFCXJZFZPEJD-XMSQKQJNSA-N
BMGC_DG11138,BMG_DG154789,,,,
BMGC_DG11139,BMG_DG154790,,,,
BMGC_DG11140,BMG_DG154793,,,,
BMGC_DG11141,BMG_DG154797,,,,
BMGC_DG11142,BMG_DG154799,,C[C@@](CBr)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O,,QDSWNDMHSBZXKX-SNVBAGLBSA-N
BMGC_DG11143,BMG_DG154801,,,,
BMGC_DG11144,BMG_DG154802,,O[C@]12C(N(CC1)c3ccccc3)=Nc4c(cc(cc4)C)C2=O,,LZAXPYOBKSJSEX-GOSISDBHSA-N
BMGC_DG11145,BMG_DG154806,,,,
BMGC_DG11146,BMG_DG154812,,,,
BMGC_DG11147,BMG_DG154814,,,,
BMGC_DG11148,BMG_DG154816,,,,
BMGC_DG11149,BMG_DG154817,,,,
BMGC_DG11150,BMG_DG154818,,C=CC(c1c(=O)oc2c(cc3c(c2)O[C@H](C(O)(C)C)C3)c1)(C)C,,JCDLLLXYAICSQV-INIZCTEOSA-N
BMGC_DG11151,BMG_DG154820,,,,
BMGC_DG11152,BMG_DG154821,,,,
BMGC_DG11153,BMG_DG154823,,,,
BMGC_DG11154,BMG_DG154824,,,,
BMGC_DG11155,BMG_DG154825,C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](C[C@H]2[C@@H](O2)/C=C/C1=O)C)OC(=O)C)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O,O([C@H]1[C@@H]([C@H]([C@@H](CC=O)C[C@H](C(/C=C/[C@H]2[C@H](C[C@H](OC(C1)=O)C)O2)=O)C)O[C@@]3(O[C@@H]([C@@H](O[C@@]4(O[C@H]([C@@H]([C@@](C4)(O)C)OC(CC(C)C)=O)C)[H])[C@@H]([C@H]3O)N(C)C)C)[H])OC)C(=O)C,"InChI=1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12+/t22-,23-,24-,25+,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1",FQVHOULQCKDUCY-OGHXVOSASA-N
BMGC_DG11156,BMG_DG154828,,C1CCC(C1)N(C=O)C2CCC2,,DWGVYBRKKSJLNS-UHFFFAOYSA-N
BMGC_DG11157,BMG_DG154833,,[C@@](C(N[C@H](C(N[C@@H](Cc1ccccc1)C=O)=O)CC(C)C)=O)(NC(N[C@@H](Cc2ccccc2)C(O)=O)=O)([C@]3(NC(N)=NCC3)[H])[H],,MRXDGVXSWIXTQL-LROMGURASA-N
BMGC_DG11158,BMG_DG154836,,,,
BMGC_DG11159,BMG_DG154837,CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O,c12c(c(=O)cc(o1)-c3c(Cl)cccc3)c(cc(c2[C@@H]4[C@@H](CN(CC4)C)O)O)O,"InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1",BIIVYFLTOXDAOV-YVEFUNNKSA-N
BMGC_DG11160,BMG_DG154838,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C(CCCCCCCCCCCCCC)C(OC[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(OCC[N+](C)(C)C)(=O)[O-])=O,"InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1",JLPULHDHAOZNQI-ZTIMHPMXSA-N
BMGC_DG11161,BMG_DG154839,,,,
BMGC_DG11162,BMG_DG154842,,,,
BMGC_DG11163,BMG_DG154843,,CS(=O)(=O)c1ccc(Nc2cc(Cl)nc3ccnn23)cc1,,LVNXHNRYPADEAD-UHFFFAOYSA-N
BMGC_DG11164,BMG_DG154844,,,,
BMGC_DG11165,BMG_DG154845,,O=C1[C@H](CCCNC(=N)N)NC([C@]2(N(CCC2)C([C@@H](NC=O)CNC(=O)/C=C/[C@@H](NC(=O)[C@H](NC1=O)Cc3ccccc3)Cc4ccc(O)cc4)=O)[H])=O,,CDWXSPKJKIUEQF-BIXWYCRZSA-N
BMGC_DG11166,BMG_DG154846,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O,,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17+,18+/m1/s1",FYGDTMLNYKFZSV-ZWSAEMDYSA-N
BMGC_DG11167,BMG_DG154849,,,,
BMGC_DG11168,BMG_DG154851,,,,
BMGC_DG11169,BMG_DG154852,,,,
BMGC_DG11170,BMG_DG154853,,,,
BMGC_DG11171,BMG_DG154855,,,,
BMGC_DG11172,BMG_DG154856,,,,
BMGC_DG11173,BMG_DG154858,,,,
BMGC_DG11174,BMG_DG154859,,,,
BMGC_DG11175,BMG_DG154860,,,,
BMGC_DG11176,BMG_DG154861,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,O=C(OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CCCCCCC/C=C\C/C=C\CCCCC,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t42-/m1/s1",FVXDQWZBHIXIEJ-LNDKUQBDSA-N
BMGC_DG11177,BMG_DG154863,,O=C(/C(=C/c1c(cc(cc1)N(CC)CC)O)/C)O,,JAEWDFYDSACHDN-CSKARUKUSA-N
BMGC_DG11178,BMG_DG154864,,,,
BMGC_DG11179,BMG_DG154866,,,,
BMGC_DG11180,BMG_DG154867,,,,
BMGC_DG11181,BMG_DG154869,,,,
BMGC_DG11182,BMG_DG154873,,,,
BMGC_DG11183,BMG_DG154875,,,,
BMGC_DG11184,BMG_DG154876,,,,
BMGC_DG11185,BMG_DG154877,CCC(CC)(/C=C/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O,[C@]12([C@](/C(=C/C=C/3\C([C@H](C[C@@H](C3)O)O)=C)/CCC1)(CC[C@@]2([C@@H](/C=C/C=C/C(O)(CC)CC)C)[H])[H])C,"InChI=1S/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/b11-8+,18-9+,23-13+,24-14-/t21-,25-,26-,27+,28+,29-/m1/s1",LVLLALCJVJNGQQ-SEODYNFXSA-N
BMGC_DG11186,BMG_DG154885,,,,
BMGC_DG11187,BMG_DG154888,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=CC=C(C=C2)O)/C)/C,C1(/C=C/C(=C/C=C/C(=C/C(Nc2ccc(cc2)O)=O)/C)/C)=C(CCCC1(C)C)C,"InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+",AKJHMTWEGVYYSE-FXILSDISSA-N
BMGC_DG11188,BMG_DG154889,,,,
BMGC_DG11189,BMG_DG154891,,,,
BMGC_DG11190,BMG_DG154893,C(=C\C(=O)[O-])\C(=O)[O-],,"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1-",VZCYOOQTPOCHFL-UPHRSURJSA-L
BMGC_DG11191,BMG_DG154894,,,,
BMGC_DG11192,BMG_DG154896,,,,
BMGC_DG11193,BMG_DG154897,,,,
BMGC_DG11194,BMG_DG154898,,,,
BMGC_DG11195,BMG_DG154899,,,,
BMGC_DG11196,BMG_DG154900,,,,
BMGC_DG11197,BMG_DG154901,,,,
BMGC_DG11198,BMG_DG154903,CCCCCCCCCCC[C@H](CC(=O)O)O,O[C@@H](CC(O)=O)CCCCCCCCCCC,"InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1",ATRNZOYKSNPPBF-CYBMUJFWSA-N
BMGC_DG11199,BMG_DG154906,C1=CN=CC=C1C2=NC(=NN2)C3=CC(=NC=C3)C#N,c1c(-c2[nH]nc(n2)-c3ccnc(C#N)c3)ccnc1,"InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)",UBVZQGOVTLIHLH-UHFFFAOYSA-N
BMGC_DG11200,BMG_DG154908,,,,
BMGC_DG11201,BMG_DG154910,,,,
BMGC_DG11202,BMG_DG154913,,,,
BMGC_DG11203,BMG_DG154914,,,,
BMGC_DG11204,BMG_DG154916,C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)\C)C)O)OC,C1C=2C(C(NC(/C(/C)=C/C=C\[C@@H]([C@H](/C(=C/[C@H](C)[C@H]([C@@H](OC)C[C@@H]1C)O)/C)OC(=O)N)OC)=O)=CC(C2OC)=O)=O,"InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1",QTQAWLPCGQOSGP-KSRBKZBZSA-N
BMGC_DG11205,BMG_DG154917,,,,
BMGC_DG11206,BMG_DG154919,,,,
BMGC_DG11207,BMG_DG154920,,,,
BMGC_DG11208,BMG_DG154922,,O([C@@]1(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@@H]([C@H](C1)O)NC(C)=O)[H])[C@@H]2[C@@H](O)[C@H](O[C@@]3([C@@H](CO)O[C@H]([C@@H]([C@H]3O)O)O)[H])O[C@@H]([C@@H]2O)CO,,CILYIEBUXJIHCO-UITFWXMXSA-N
BMGC_DG11209,BMG_DG154924,,,,
BMGC_DG11210,BMG_DG154928,,C(O)[C@@H]1[C@@H](O)[C@H](O)[C@H]([C@H](S1)O)O,,KNWYARBAEIMVMZ-DVKNGEFBSA-N
BMGC_DG11211,BMG_DG154930,,,,
BMGC_DG11212,BMG_DG154931,,,,
BMGC_DG11213,BMG_DG154935,,C(/C=C/c1ccc(cc1)/C(=C(/CC)\c2ccccc2)/c3ccccc3)(=O)O,,HJQQVNIORAQATK-DDJBQNAASA-N
BMGC_DG11214,BMG_DG154936,,,,
BMGC_DG11215,BMG_DG154938,,,,
BMGC_DG11216,BMG_DG154940,,,,
BMGC_DG11217,BMG_DG154941,,NS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1,,NKORVPQBJCGYEC-UHFFFAOYSA-N
BMGC_DG11218,BMG_DG154942,,,,
BMGC_DG11219,BMG_DG154946,,,,
BMGC_DG11220,BMG_DG154948,,,,
BMGC_DG11221,BMG_DG154949,C1=C([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO,OCC1=C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5+,6-,7-/m0/s1",PJPGMULJEYSZBS-VZFHVOOUSA-N
BMGC_DG11222,BMG_DG154951,,,,
BMGC_DG11223,BMG_DG154953,,,,
BMGC_DG11224,BMG_DG154954,,,,
BMGC_DG11225,BMG_DG154956,,,,
BMGC_DG11226,BMG_DG154957,,,,
BMGC_DG11227,BMG_DG154958,,,,
BMGC_DG11228,BMG_DG154959,,,,
BMGC_DG11229,BMG_DG154960,,,,
BMGC_DG11230,BMG_DG154961,,,,
BMGC_DG11231,BMG_DG154963,,,,
BMGC_DG11232,BMG_DG154964,,Ic1ccc2c(c1)CNCC2,,FFCFXJXBXUOFIU-UHFFFAOYSA-N
BMGC_DG11233,BMG_DG154966,,,,
BMGC_DG11234,BMG_DG154967,,,,
BMGC_DG11235,BMG_DG154970,,,,
BMGC_DG11236,BMG_DG154971,,,,
BMGC_DG11237,BMG_DG154972,,,,
BMGC_DG11238,BMG_DG154975,,,,
BMGC_DG11239,BMG_DG154978,,,,
BMGC_DG11240,BMG_DG154979,,,,
BMGC_DG11241,BMG_DG154980,,,,
BMGC_DG11242,BMG_DG154981,,,,
BMGC_DG11243,BMG_DG154982,CCC(CC)(CCCO[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O,C/1(=C\C=C/2\[C@]3([C@@](CCC2)(C)[C@](CC3)([C@@H](C)OCCCC(CC)(O)CC)[H])[H])\C(=C)[C@H](C[C@@H](C1)O)O,"InChI=1S/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24-,25-,26+,27+,28-/m1/s1",KLZOTDOJMRMLDX-YBBVPDDNSA-N
BMGC_DG11244,BMG_DG154983,C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)/C)OC)OC(=O)N)\C)C)O)OC,C=12C[C@H](C[C@H](OC)[C@@H]([C@H](\C=C(\[C@H](OC(=O)N)[C@H](/C=C\C=C(\C(NC(=CC(C1NCCN(C)C)=O)C2=O)=O)/C)OC)/C)C)O)C,"InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1",KUFRQPKVAWMTJO-LMZWQJSESA-N
BMGC_DG11245,BMG_DG154985,,,,
BMGC_DG11246,BMG_DG154986,,,,
BMGC_DG11247,BMG_DG154987,[C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,,"InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1?,2-,3+,4-,5-,6?/m0/s1",INAPMGSXUVUWAF-LXOASSSBSA-L
BMGC_DG11248,BMG_DG154989,,,,
BMGC_DG11249,BMG_DG154990,,,,
BMGC_DG11250,BMG_DG154991,,,,
BMGC_DG11251,BMG_DG154992,,,,
BMGC_DG11252,BMG_DG154993,,,,
BMGC_DG11253,BMG_DG154995,,,,
BMGC_DG11254,BMG_DG154997,,,,
BMGC_DG11255,BMG_DG154998,,[C@H](C(O)=O)(NC)C,,GDFAOVXKHJXLEI-VKHMYHEASA-N
BMGC_DG11256,BMG_DG155000,C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C,[C@]12([C@](/C(=C/C=C/3\C([C@@H](O)C[C@@H](C3)O)=C)/CCC1)(CC[C@@]2([C@@H](\C=C\[C@H](C4CC4)O)C)[H])[H])C,"InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1",LWQQLNNNIPYSNX-UROSTWAQSA-N
BMGC_DG11257,BMG_DG155003,,,,
BMGC_DG11258,BMG_DG155005,,,,
BMGC_DG11259,BMG_DG155008,,,,
BMGC_DG11260,BMG_DG155011,,,,
BMGC_DG11261,BMG_DG155012,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O,[C@@]123c4c5ccc(c4O[C@]3([C@H](C=C[C@]2([C@@](C5)(N(CC1)C)[H])[H])O)[H])O,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1",BQJCRHHNABKAKU-KBQPJGBKSA-N
BMGC_DG11262,BMG_DG155015,,,,
BMGC_DG11263,BMG_DG155016,,,,
BMGC_DG11264,BMG_DG155018,,,,
BMGC_DG11265,BMG_DG155019,,,,
BMGC_DG11266,BMG_DG155020,,,,
BMGC_DG11267,BMG_DG155022,,,,
BMGC_DG11268,BMG_DG155025,CC(=N)C(=O)O,,"InChI=1S/C3H5NO2/c1-2(4)3(5)6/h4H,1H3,(H,5,6)",DUAWRLXHCUAWMK-UHFFFAOYSA-N
BMGC_DG11269,BMG_DG155028,,,,
BMGC_DG11270,BMG_DG155030,,,,
BMGC_DG11271,BMG_DG155031,,,,
BMGC_DG11272,BMG_DG155035,,S1[C@]2(O[C@@H]([C@H]([C@@H]([C@]2(N=C1C)[H])O)O)CO)[H],,DRHXTSWSUAJOJZ-FMDGEEDCSA-N
BMGC_DG11273,BMG_DG155038,,,,
BMGC_DG11274,BMG_DG155039,,,,
BMGC_DG11275,BMG_DG155049,,,,
BMGC_DG11276,BMG_DG155050,CO/C=C(\C1=CC=CC=C1/C=C/C2=CC=CC=C2)/C(=O)OC,,"InChI=1S/C19H18O3/c1-21-14-18(19(20)22-2)17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-14H,1-2H3/b13-12+,18-14+",VEJCBCPEURAYAS-MEAXDALNSA-N
BMGC_DG11277,BMG_DG155051,,,,
BMGC_DG11278,BMG_DG155053,CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,C1(CCC(C(/C=C/C(=C/C=C/C(=C/CO)/C)/C)=C1C)(C)C)=O,"InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,21H,11,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-12+",PLIUCYCUYQIBDZ-RMWYGNQTSA-N
BMGC_DG11279,BMG_DG155055,C1=CC(=[NH+]C(=C1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O,,"InChI=1S/C21H27N7O14P2/c22-18-12-20(25-6-24-18)28(7-26-12)21-16(32)14(30)11(41-21)5-39-44(36,37)42-43(34,35)38-4-10-13(29)15(31)17(40-10)8-2-1-3-9(27-8)19(23)33/h1-3,6-7,10-11,13-17,21,29-32H,4-5H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,17+,21-/m1/s1",LFERELMXERXKKQ-KMXXXSRASA-N
BMGC_DG11280,BMG_DG155058,,,,
BMGC_DG11281,BMG_DG155059,,Cc1cccc(CNC(=O)c2cc(C(=O)NCc3cccc(C)c3)ncn2)c1,,GTBUZLPQANSGGE-UHFFFAOYSA-N
BMGC_DG11282,BMG_DG155060,,,,
BMGC_DG11283,BMG_DG155061,,,,
BMGC_DG11284,BMG_DG155062,,,,
BMGC_DG11285,BMG_DG155065,,,,
BMGC_DG11286,BMG_DG155073,,,,
BMGC_DG11287,BMG_DG155074,,,,
BMGC_DG11288,BMG_DG155075,C1=CN=C(N=C1)OC2=CC(=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)O,,"InChI=1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26)",VNDRRWBKNSHALL-UHFFFAOYSA-N
BMGC_DG11289,BMG_DG155076,,,,
BMGC_DG11290,BMG_DG155077,,,,
BMGC_DG11291,BMG_DG155080,,,,
BMGC_DG11292,BMG_DG155082,,,,
BMGC_DG11293,BMG_DG155083,,,,
BMGC_DG11294,BMG_DG155085,,,,
BMGC_DG11295,BMG_DG155086,,,,
BMGC_DG11296,BMG_DG155087,,,,
BMGC_DG11297,BMG_DG155090,,,,
BMGC_DG11298,BMG_DG155091,,,,
BMGC_DG11299,BMG_DG155096,,,,
BMGC_DG11300,BMG_DG155097,,,,
BMGC_DG11301,BMG_DG155098,,,,
BMGC_DG11302,BMG_DG155101,,,,
BMGC_DG11303,BMG_DG155102,,N(CC#C)(C)[C@H]1c2c(CC1)cccc2,,CSVGVHNFFZWQJU-CYBMUJFWSA-N
BMGC_DG11304,BMG_DG155103,,CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)N(C)Cc3ccccc3,,YPYWONAECUVKHY-MRXNPFEDSA-N
BMGC_DG11305,BMG_DG155109,C#CCN[C@H]1CCC2=CC=CC=C12,c12CC[C@@H](c1cccc2)NCC#C,"InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m0/s1",RUOKEQAAGRXIBM-LBPRGKRZSA-N
BMGC_DG11306,BMG_DG155111,,,,
BMGC_DG11307,BMG_DG155112,,,,
BMGC_DG11308,BMG_DG155113,,,,
BMGC_DG11309,BMG_DG155114,,,,
BMGC_DG11310,BMG_DG155119,,,,
BMGC_DG11311,BMG_DG155120,,,,
BMGC_DG11312,BMG_DG155121,,,,
BMGC_DG11313,BMG_DG155122,,,,
BMGC_DG11314,BMG_DG155124,,C(C([C@@H](NC([C@]1(N(C([C@@H](NC(c2ccc(C(N3CCOCC3)=O)cc2)=O)C(C)C)=O)CCC1)[H])=O)C(C)C)=O)(C(F)(F)F)(F)F,,XQAMVCHQGHAELT-FKBYEOEOSA-N
BMGC_DG11315,BMG_DG155125,,,,
BMGC_DG11316,BMG_DG155126,,,,
BMGC_DG11317,BMG_DG155127,,,,
BMGC_DG11318,BMG_DG155133,,,,
BMGC_DG11319,BMG_DG155136,,,,
BMGC_DG11320,BMG_DG155137,,,,
BMGC_DG11321,BMG_DG155138,,,,
BMGC_DG11322,BMG_DG155139,,,,
BMGC_DG11323,BMG_DG155140,,COc1cc\2c(cc1)NC(=O)/C2=C\c3[nH]cnc3,,QNUKRWAIZMBVCU-WCIBSUBMSA-N
BMGC_DG11324,BMG_DG155141,,,,
BMGC_DG11325,BMG_DG155142,,,,
BMGC_DG11326,BMG_DG155143,,,,
BMGC_DG11327,BMG_DG155145,,,,
BMGC_DG11328,BMG_DG155146,,,,
BMGC_DG11329,BMG_DG155149,,,,
BMGC_DG11330,BMG_DG155151,,,,
BMGC_DG11331,BMG_DG155152,,,,
BMGC_DG11332,BMG_DG155154,C/C(=C\C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(C=C2)C(CCC3(C)C)(C)C,c12c(C(CCC1(C)C)(C)C)ccc(c2)/C(=C/c3ccc(C(O)=O)cc3)/C,"InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+",FOIVPCKZDPCJJY-JQIJEIRASA-N
BMGC_DG11333,BMG_DG155155,,,,
BMGC_DG11334,BMG_DG155156,,,,
BMGC_DG11335,BMG_DG155158,,,,
BMGC_DG11336,BMG_DG155159,,,,
BMGC_DG11337,BMG_DG155160,,,,
BMGC_DG11338,BMG_DG155161,,,,
BMGC_DG11339,BMG_DG155162,,,,
BMGC_DG11340,BMG_DG155163,,,,
BMGC_DG11341,BMG_DG155164,,,,
BMGC_DG11342,BMG_DG155167,CC[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C,[C@]12([C@](/C(=C/C=C\3/C[C@H](C(=C)[C@@H](C3)O)O)/CCC1)(CC[C@@]2([C@H](CC)C)[H])[H])C,"InChI=1S/C23H36O2/c1-5-15(2)19-10-11-20-18(7-6-12-23(19,20)4)9-8-17-13-21(24)16(3)22(25)14-17/h8-9,15,19-22,24-25H,3,5-7,10-14H2,1-2,4H3/b18-9+/t15-,19+,20-,21+,22+,23+/m0/s1",QSLUXQQUPXBIHH-YHSKWIAJSA-N
BMGC_DG11343,BMG_DG155169,,,,
BMGC_DG11344,BMG_DG155178,C([C@H]([C@@H](C(=O)CO)O)O)O,[C@@H]([C@H](O)CO)(O)C(=O)CO,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m1/s1",ZAQJHHRNXZUBTE-WUJLRWPWSA-N
BMGC_DG11345,BMG_DG155182,,CCOC(=O)c1cc2ccc(cc2oc1=O)O,,IETDBZQIWIJQJG-UHFFFAOYSA-N
BMGC_DG11346,BMG_DG155187,C(C(=O)O)OP(=O)(O)O,P(OCC(=O)O)(=O)(O)O,"InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)",ASCFNMCAHFUBCO-UHFFFAOYSA-N
BMGC_DG11347,BMG_DG155200,CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5,N1(CCN(C)CC1)Cc2ccc(C(Nc3cc(Nc4nc(-c5cnccc5)ccn4)c(cc3)C)=O)cc2,"InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)",KTUFNOKKBVMGRW-UHFFFAOYSA-N
BMGC_DG11348,BMG_DG155202,COCC1=NN2C(=C(N=C2S1)C(F)(F)F)CN3C[C@H](CC3=O)CC(F)(F)Cl,C(c1n2c(nc1C(F)(F)F)sc(n2)COC)N3C[C@H](CC3=O)CC(Cl)(F)F,"InChI=1S/C14H14ClF5N4O2S/c1-26-6-9-22-24-8(11(14(18,19)20)21-12(24)27-9)5-23-4-7(2-10(23)25)3-13(15,16)17/h7H,2-6H2,1H3/t7-/m1/s1",DCXFIOLWWRXEQH-SSDOTTSWSA-N
BMGC_DG11349,BMG_DG155204,CC(C)(C)OC(=O)N1CCN(CC1)CC2=C(C(=O)N(C=C2)CC3=CC=C(C=C3)Cl)O,C1N(CCN(C(OC(C)(C)C)=O)C1)Cc2c(c(n(cc2)Cc3ccc(cc3)Cl)=O)O,"InChI=1S/C22H28ClN3O4/c1-22(2,3)30-21(29)25-12-10-24(11-13-25)15-17-8-9-26(20(28)19(17)27)14-16-4-6-18(23)7-5-16/h4-9,27H,10-15H2,1-3H3",UPJZLOCUUOIMNC-UHFFFAOYSA-N
BMGC_DG11350,BMG_DG155206,COCCN(CCOC)C(=O)CCCC#CC1=C2C(=CC=C1)N=C(N(C2=O)CC3=CC=CC=C3Cl)CN4C5=NC=NC(=C5C(=N4)C6=CC(=CC=C6)O)N,COCCN(C(CCCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c5c(ncnc53)N)n(Cc6c(Cl)cccc6)c(=O)c21)=O)CCOC,"InChI=1S/C39H39ClN8O5/c1-52-20-18-46(19-21-53-2)33(50)17-5-3-4-10-26-12-9-16-31-34(26)39(51)47(23-28-11-6-7-15-30(28)40)32(44-31)24-48-38-35(37(41)42-25-43-38)36(45-48)27-13-8-14-29(49)22-27/h6-9,11-16,22,25,49H,3,5,17-21,23-24H2,1-2H3,(H2,41,42,43)",UBLOHCIYTDRGJH-UHFFFAOYSA-N
BMGC_DG11351,BMG_DG155207,CCC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC4=C(C=C3)OCCO4,[C@@H]1(O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c2cc(c(cc2)CC)Cc3ccc4c(c3)OCCO4)CO,"InChI=1S/C23H28O7/c1-2-14-4-5-15(23-22(27)21(26)20(25)19(12-24)30-23)11-16(14)9-13-3-6-17-18(10-13)29-8-7-28-17/h3-6,10-11,19-27H,2,7-9,12H2,1H3/t19-,20-,21+,22-,23+/m1/s1",XFJAMQQAAMJFGB-ZQGJOIPISA-N
BMGC_DG11352,BMG_DG155208,C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F,c1(cc(c2cc(cc(c2o1)[C@@H](C)Nc3cc(cc(c3)F)F)C(=O)N(C)C)=O)N4CCOCC4,"InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1",LMJFJIDLEAWOQJ-CQSZACIVSA-N
BMGC_DG11353,BMG_DG155209,CCC[C@@H]1[C@@](CCCN1C(=O)C2=C(C=CC=N2)C(F)(F)F)(C(=O)N3CCC(CC3)(C4=CC=CC=C4O[C@H](C)CCC5(CCC5)C(=O)O)O)OC6=CSC(=C6)C(F)(F)F,,"InChI=1S/C41H47F6N3O7S/c1-3-9-31-39(57-27-24-32(58-25-27)41(45,46)47,16-8-21-50(31)34(51)33-29(40(42,43)44)11-6-20-48-33)35(52)49-22-18-38(55,19-23-49)28-10-4-5-12-30(28)56-26(2)13-17-37(36(53)54)14-7-15-37/h4-6,10-12,20,24-26,31,55H,3,7-9,13-19,21-23H2,1-2H3,(H,53,54)/t26-,31-,39+/m1/s1",VWJVVXHTTNSLMY-QJJDVSLISA-N
BMGC_DG11354,BMG_DG155218,CS(=O)(=O)C1=NC=CC(=C1)C2(CC2)NC(=O)C3=CN=CC4=C3C=NN4C5=CC=C(C=C5)F,,"InChI=1S/C22H18FN5O3S/c1-32(30,31)20-10-14(6-9-25-20)22(7-8-22)27-21(29)18-11-24-13-19-17(18)12-26-28(19)16-4-2-15(23)3-5-16/h2-6,9-13H,7-8H2,1H3,(H,27,29)",PXQATVYJKMMHAU-UHFFFAOYSA-N
BMGC_DG11355,BMG_DG155223,CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O.CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,[C@@H](C(=O)O)(O)[C@H](C(=O)O)O.N1(CCCC1)C[C@@H](NC(CCCCCCC)=O)[C@H](O)c2ccc3c(c2)OCCO3.N1(CCCC1)C[C@@H](NC(CCCCCCC)=O)[C@H](O)c2ccc3c(c2)OCCO3,"InChI=1S/2C23H36N2O4.C4H6O6/c2*1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20;5-1(3(7)8)2(6)4(9)10/h2*10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26);1-2,5-6H,(H,7,8)(H,9,10)/t2*19-,23-;1-,2-/m111/s1",KUBARPMUNHKBIQ-VTHUDJRQSA-N
BMGC_DG11356,BMG_DG155227,CC1=NC(=C(C(=N1)N2CCN3CCOC[C@@H]3C2)F)NNC(=O)[C@H](CC4CCCC4)CN(C=O)O,C(=O)N(O)C[C@H](C(=O)NNc1nc(nc(c1F)N2C[C@]3(COCCN3CC2)[H])C)CC4CCCC4,"InChI=1S/C22H34FN7O4/c1-15-24-20(19(23)21(25-15)29-7-6-28-8-9-34-13-18(28)12-29)26-27-22(32)17(11-30(33)14-31)10-16-4-2-3-5-16/h14,16-18,33H,2-13H2,1H3,(H,27,32)(H,24,25,26)/t17-,18+/m1/s1",SWHNZGMQMGFQGW-MSOLQXFVSA-N
BMGC_DG11357,BMG_DG155228,COCC1(C(=O)C2CCN1CC2)CO,N12C(C(C(CC1)CC2)=O)(COC)CO,"InChI=1S/C10H17NO3/c1-14-7-10(6-12)9(13)8-2-4-11(10)5-3-8/h8,12H,2-7H2,1H3",BGBNULCRKBVAKL-UHFFFAOYSA-N
BMGC_DG11358,BMG_DG155232,CCCCCCCCCC(=O)OC1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl,C1(OC(=O)CCCCCCCCC)(CCN(CC1)CCCC(c2ccc(cc2)F)=O)c3ccc(cc3)Cl,"InChI=1S/C31H41ClFNO3/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25/h12-19H,2-11,20-24H2,1H3",GUTXTARXLVFHDK-UHFFFAOYSA-N
BMGC_DG11359,BMG_DG155240,CC1=CC2=C(N1)C=CC(=C2)OC3=NC(=NC=C3)NC4=CC=CC(=C4)CS(=O)(=O)NCCN(C)C,Cc1[nH]c2c(cc(cc2)Oc3nc(Nc4cc(CS(NCCN(C)C)(=O)=O)ccc4)ncc3)c1,"InChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29)",TTZSNFLLYPYKIL-UHFFFAOYSA-N
BMGC_DG11360,BMG_DG157107,CC1=NC2=C(N1)C=C(C=C2)C(=O)N3CCC4(CC3)CC5=C(C(=O)C4)N(N=C5)C(C)C,n1cc2c(n1C(C)C)C(CC3(CCN(CC3)C(c4ccc5c(c4)[nH]c(n5)C)=O)C2)=O,"InChI=1S/C23H27N5O2/c1-14(2)28-21-17(13-24-28)11-23(12-20(21)29)6-8-27(9-7-23)22(30)16-4-5-18-19(10-16)26-15(3)25-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,25,26)",BDXXSFOJPYSYOC-UHFFFAOYSA-N
BMGC_DG11361,BMG_DG157111,CC1=CC2=C(NC=C2CC3=C(N=C(C=C3)NCC4=C(N=CC(=C4)F)OC)F)N=C1,n1c2c(c(c[nH]2)Cc3c(F)nc(NCc4c(ncc(F)c4)OC)cc3)cc(c1)C,"InChI=1S/C21H19F2N5O/c1-12-5-17-14(9-26-20(17)25-8-12)6-13-3-4-18(28-19(13)23)24-10-15-7-16(22)11-27-21(15)29-2/h3-5,7-9,11H,6,10H2,1-2H3,(H,24,28)(H,25,26)",NSMOZFXKTHCPTQ-UHFFFAOYSA-N
BMGC_DG11362,BMG_DG157112,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O,,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3",IKGXIBQEEMLURG-UHFFFAOYSA-N
BMGC_DG11363,BMG_DG157113,,S(=O)(=O)(Nc1cc(-c2cn3c(ncc3C(OCC)=O)cc2)cnc1)c4ccccc4,,SEKOTFCHZNXZMM-UHFFFAOYSA-N
BMGC_DG11364,BMG_DG157114,,c12c(c(nn(c1=O)CCC3N(CCC3)C)Cc4ccc(cc4)Cl)cccc2,,HNLNXYUSMGCHFW-UHFFFAOYSA-N
BMGC_DG11365,BMG_DG157118,CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CC[C@@H](C4=CC=C3)NCCO)C#N,N(CCO)[C@@H]1c2c(CC1)c(ccc2)-c3nc(on3)-c4cc(C#N)c(cc4)OC(C)C,"InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1",XRVDGNKRPOAQTN-FQEVSTJZSA-N
BMGC_DG11366,BMG_DG157127,CC(C)C[C@@H](C1=CC(=CC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)C(=O)O,c1(ccc(cc1)C(F)(F)F)-c2cc(cc(c2)[C@@H](C(=O)O)CC(C)C)-c3ccc(cc3)C(F)(F)F,"InChI=1S/C26H22F6O2/c1-15(2)11-23(24(33)34)20-13-18(16-3-7-21(8-4-16)25(27,28)29)12-19(14-20)17-5-9-22(10-6-17)26(30,31)32/h3-10,12-15,23H,11H2,1-2H3,(H,33,34)/t23-/m0/s1",RQOWDDLKGBMJFX-QHCPKHFHSA-N
BMGC_DG11367,BMG_DG157193,,,,
BMGC_DG11368,BMG_DG157194,,CCC(=O)c1c(O)ccc2ccc(=O)oc12,,DVLIOVBNBOBBGS-UHFFFAOYSA-N
BMGC_DG11369,BMG_DG157201,,[C@@]12(n3c4c5c(c6c(n5[C@](O1)(C[C@H]([C@H]2OC)N(C(=O)c7ccccc7)C)[H])cccc6)c8c(c4c9c3cccc9)[C@@H](NC8=O)O)C,,ZZSBPGIGIUFJRA-AKIDMACVSA-N
BMGC_DG11370,BMG_DG157203,,NC(=O)c1cccc(OC2CCN(Cc3ccccc3)CC2)c1,,IDSIUINGWBNUFD-UHFFFAOYSA-N
BMGC_DG11371,BMG_DG157206,,,,
BMGC_DG11372,BMG_DG157207,,,,
BMGC_DG11373,BMG_DG157211,,C1/C=C/C=C/[C@@H](CC[C@H]2[C@@H](C)[C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@H](O)C)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@H](C)C([C@@H]([C@@H](O)[C@@H](C(=O)[C@]([C@@H](O)[C@@H]1C)(C)O)C)C)=O)O)C)CC,,MNULEGDCPYONBU-AWJDAWNUSA-N
BMGC_DG11374,BMG_DG157215,,,,
BMGC_DG11375,BMG_DG157216,CC(C)N(CC1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N4C(=NN=C4C5=CC=CC=C5)[C@@H](C2=O)CC6=CNC7=CC=CC=C76,n-12c([C@@H](C(N(c3c1cccc3)CC(=O)N(Cc4ccccc4)C(C)C)=O)Cc5c[nH]c6ccccc56)nnc2-c7ccccc7,"InChI=1S/C37H34N6O2/c1-25(2)41(23-26-13-5-3-6-14-26)34(44)24-42-32-19-11-12-20-33(32)43-35(27-15-7-4-8-16-27)39-40-36(43)30(37(42)45)21-28-22-38-31-18-10-9-17-29(28)31/h3-20,22,25,30,38H,21,23-24H2,1-2H3/t30-/m0/s1",UBNMGTSDHSQBEL-PMERELPUSA-N
BMGC_DG11376,BMG_DG157221,,CCC(=O)c1cc2ccc(=O)oc2cc1O,,GJOCMGDMAGUOKE-UHFFFAOYSA-N
BMGC_DG11377,BMG_DG157224,C1=CC(=NC=C1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)[18F],C(=O)(O)[C@H](CCC(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1cnc(cc1)[18F])C(=O)O,"InChI=1S/C18H23FN4O8/c19-13-6-4-10(9-21-13)15(26)20-8-2-1-3-11(16(27)28)22-18(31)23-12(17(29)30)5-7-14(24)25/h4,6,9,11-12H,1-3,5,7-8H2,(H,20,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t11-,12-/m0/s1/i19-1",OLWVRJUNLXQDSP-MVBOSPHXSA-N
BMGC_DG11378,BMG_DG157225,CNC(=O)[C@@H](CC1=CC=CC=C1F)CN2CCC3(CC2)C4=C(CCO3)C=C(S4)F,C([C@H](CN1CCC2(CC1)c3c(CCO2)cc(s3)F)Cc4c(cccc4)F)(=O)NC,"InChI=1S/C22H26F2N2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)/t17-/m0/s1",MZBCQWLYUQJXKA-KRWDZBQOSA-N
BMGC_DG11379,BMG_DG157226,C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)CCCNC(=O)NC4=CC=C(C=C4)C(F)(F)F,,"InChI=1S/C26H24F3N5O3S/c27-26(28,29)19-8-10-20(11-9-19)32-25(35)31-16-4-7-21-17-24(18-5-2-1-3-6-18)34(33-21)22-12-14-23(15-13-22)38(30,36)37/h1-3,5-6,8-15,17H,4,7,16H2,(H2,30,36,37)(H2,31,32,35)",CSEPEVFNTFMBAE-UHFFFAOYSA-N
BMGC_DG11380,BMG_DG157264,C1=CC(=CC=C1C(=O)O)OCCN2C=CN=C2,n1cn(CCOc2ccc(C(=O)O)cc2)cc1,"InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)",XQGZSYKGWHUSDH-UHFFFAOYSA-N
BMGC_DG11381,BMG_DG157265,,S=c1[nH]nc(-c2ccncc2)s1,,BSPHQWQMWIUIPM-UHFFFAOYSA-N
BMGC_DG11382,BMG_DG157269,CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)[O-])S4)OC)SC2)C(=O)[O-].[Na+].[Na+],[C@]1([C@@]2(N(C1=O)C(=C(CS2)CSc3n(nnn3)C)C([O-])=O)[H])(NC(C4S/C(/S4)=C(/C([O-])=O)\C(=O)N)=O)OC.[Na+].[Na+],"InChI=1S/C17H17N7O8S4.2Na/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28;;/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30);;/q;2*+1/p-2/t13?,15-,17+;;/m1../s1",ZQQALMSFFARWPK-GLHLDKNHSA-L;ZQQALMSFFARWPK-ZTQQJVKJSA-L
BMGC_DG11383,BMG_DG157270,CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O,[C@@]1(C(=O)N2[C@@]1(SCC(CSc3n(nnn3)C)=C2C(=O)O)[H])(NC(C4S\C(\S4)=C(/C(=O)N)\C(=O)O)=O)OC,"InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/t13?,15-,17+/m1/s1",SRZNHPXWXCNNDU-RHBCBLIFSA-N;SRZNHPXWXCNNDU-IXOPCIAXSA-N
BMGC_DG11384,BMG_DG157271,CS(=O)(=O)N1CCC2(CC1)NC(=O)C(=N2)C3=CC=C(C=C3)Br,,"InChI=1S/C14H16BrN3O3S/c1-22(20,21)18-8-6-14(7-9-18)16-12(13(19)17-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H,17,19)",PTJHYSBTEDYVLZ-UHFFFAOYSA-N
BMGC_DG11385,BMG_DG157275,C1=CC(=CC=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl,c1(c(c(cc(c1Cl)-c2ccc(cc2)Cl)Cl)Cl)Cl,InChI=1S/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H,SXZSFWHOSHAKMN-UHFFFAOYSA-N
BMGC_DG11386,BMG_DG157297,CCOC(=O)[C@H](CCC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)N[C@H](C2=CC=CC=C2)C(=O)OCC)N,N(C([C@@H](NC(=O)CC[C@@H](C(=O)OCC)N)CSCc1ccccc1)=O)[C@@H](C(=O)OCC)c2ccccc2,"InChI=1S/C27H35N3O6S/c1-3-35-26(33)21(28)15-16-23(31)29-22(18-37-17-19-11-7-5-8-12-19)25(32)30-24(27(34)36-4-2)20-13-9-6-10-14-20/h5-14,21-22,24H,3-4,15-18,28H2,1-2H3,(H,29,31)(H,30,32)/t21-,22-,24+/m0/s1",GWEJFLVSOGNLSS-WPFOTENUSA-N
BMGC_DG11387,BMG_DG157299,C1[C@@H]([C@H]1C(=O)O)[C@@H](C(=O)O)N,,"InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1",GZOVEPYOCJWRFC-HZLVTQRSSA-N
BMGC_DG11388,BMG_DG157301,CCCN1C=C2C(=N1)N=C(N3C2=NC(=N3)C4=CC=CO4)NC(=O)NC5=CC=C(C=C5)OC,,"InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)",CJRNHKSLHHWUAB-UHFFFAOYSA-N
BMGC_DG11389,BMG_DG157302,C1[C@@H]2CNC[C@H]1C3=CC4=NC=CN=C4C=C23,n1c2cc3c([C@H]4CNC[C@@H]3C4)cc2ncc1,"InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+",JQSHBVHOMNKWFT-DTORHVGOSA-N
BMGC_DG11390,BMG_DG157303,CNCC/C=C/C1=CN=CC=C1,n1cc(/C=C/CCNC)ccc1,"InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+",JUOSGGQXEBBCJB-GORDUTHDSA-N
BMGC_DG11391,BMG_DG157305,,C1CN2C[C@@]3(CNC(O3)=O)C1CC2,,TYAGAVRSOFABFO-VIFPVBQESA-N
BMGC_DG11392,BMG_DG157306,[C@@H]1([C@@H](C1[C@@H](C(=O)O)N)C(=O)O)C(=O)O,,"InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1",MATPZHBYOVDBLI-JJYYJPOSSA-N
BMGC_DG11393,BMG_DG157307,CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,,"InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1",XNOBOKJVOTYSJV-KQYNXXCUSA-N
BMGC_DG11394,BMG_DG157308,COC1=CC(=C(C=C1)/C=C/2\CCCN=C2C3=CN=CC=C3)OC,C/1(\C(=NCCC1)c2cnccc2)=C/c3c(cc(cc3)OC)OC,"InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+",RPYWXZCFYPVCNQ-RVDMUPIBSA-N
BMGC_DG11395,BMG_DG157309,,NC/C=C/C(O)=O,,FMKJUUQOYOHLTF-OWOJBTEDSA-N
BMGC_DG11396,BMG_DG157310,C1CC1CN2CC[C@]34[C@@H]5C(=O)/C(=C/C6=CC=CC=C6)/C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O,,"InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1",WXOUFNFMPVMGFZ-BDQAUFNLSA-N
BMGC_DG11397,BMG_DG157312,,N1([C@H]([C@@H]([C@H](C1)c2cc3OCOc3cc2)C(=O)O)c4ccc(cc4)OCCC)CC(=O)Nc5c(cccc5CC)CC,,LQEHCKYYIXQEBM-FUKIBTTHSA-N
BMGC_DG11398,BMG_DG157313,CC1=CN=C(C=[N+]1[O-])C(=O)O,[n+]1(cc(C(=O)O)ncc1C)[O-],"InChI=1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H,9,10)",DJQOOSBJCLSSEY-UHFFFAOYSA-N
BMGC_DG11399,BMG_DG157315,C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO,C(Nc1ccccc1)(=O)CCCCCCC(=O)NO,"InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)",WAEXFXRVDQXREF-UHFFFAOYSA-N
BMGC_DG11400,BMG_DG157316,C[C@@H]1C[C@H]2[C@@H]3[C@@H](CC4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)Cl,[C@]12([C@]([C@H](C)C[C@]1([C@@]3([C@@H](CC=4[C@@]([C@]3([C@H](C2)O)[H])(C=CC(=O)C4)C)Cl)[H])[H])(C(CO)=O)O)C,"InChI=1S/C22H29ClO5/c1-11-6-14-18-15(23)8-12-7-13(25)4-5-20(12,2)19(18)16(26)9-21(14,3)22(11,28)17(27)10-24/h4-5,7,11,14-16,18-19,24,26,28H,6,8-10H2,1-3H3/t11-,14+,15-,16+,18-,19+,20+,21+,22+/m1/s1",FJXOGVLKCZQRDN-PHCHRAKRSA-N
BMGC_DG11401,BMG_DG157318,CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)CC(=O)N)[C@@H](C)O,C(=O)(N1[C@H](C(N[C@H](C(NCC(N)=O)=O)CCCN)=O)CCC1)[C@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@]([C@@H](C)O)(NC(=O)[C@]([C@H](CC)C)(NC([C@H](NC(CCSSC2)=O)Cc3ccc(cc3)OCC)=O)[H])[H],"InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1",VWXRQYYUEIYXCZ-OBIMUBPZSA-N
BMGC_DG11402,BMG_DG157319,C[C@@H](CC1=CC=CC=C1)N(C)CC2=CC=CC=C2,N([C@H](Cc1ccccc1)C)(Cc2ccccc2)C,"InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1",YXKTVDFXDRQTKV-HNNXBMFYSA-N
BMGC_DG11403,BMG_DG157320,COC(=O)/C=C/C(=O)N[C@@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O,c1c2C[C@H]3N(CC[C@]45c2c(c(c1)O)O[C@@]4([H])[C@H](NC(/C=C/C(OC)=O)=O)CC[C@@]35O)CC6CC6,"InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1",PQKHESYTSKMWFP-WZJCLRDWSA-N
BMGC_DG11404,BMG_DG157322,,c1(ccccc1)C(C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccc(cc2)CNC(=O)N)c3ccccc3,,TVMJSGGZULFVCZ-XMMPIXPASA-N
BMGC_DG11405,BMG_DG157323,C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)O,C(C(N[C@@H](C(NCc1ccc(O)cc1)=O)CCCNC(=N)N)=O)(c2ccccc2)c3ccccc3,"InChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)/t23-/m1/s1",KUWBXRGRMQZCSS-HSZRJFAPSA-N
BMGC_DG11406,BMG_DG157324,CCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=CC=CC=C2)O)O)O,[C@@H]1(/C=C/[C@H](CCc2ccccc2)O)[C@H]([C@@H](O)C[C@H]1O)C/C=C\CCCC(=O)NCC,"InChI=1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,23-,24+/m0/s1",AQOKCDNYWBIDND-FTOWTWDKSA-N
BMGC_DG11407,BMG_DG157326,,C1(CCC1)([C@@H](C\C=C\[C@@H]2[C@H](C(C[C@H]2O)=O)CCCCCCC(OC)=O)O)CCC,,XRISENIKJUKIHD-LHQZMKCDSA-N
BMGC_DG11408,BMG_DG157328,CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC(=C(C=C3)OC)OC)C,c12c(c(=O)n(c(n1CC)=O)CC)n(C)c(n2)/C=C/c3cc(OC)c(cc3)OC,"InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+",IQVRBWUUXZMOPW-PKNBQFBNSA-N
BMGC_DG11409,BMG_DG157329,CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)C(=O)N3CCN(CC3)CCCC4=CC=CC=C4)C5=CC=CC=C5,,"InChI=1S/C30H35N7O2/c1-22(38)31-14-15-32-28-25-21-26(33-29(25)35-27(34-28)24-12-6-3-7-13-24)30(39)37-19-17-36(18-20-37)16-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,21H,8,11,14-20H2,1H3,(H,31,38)(H2,32,33,34,35)",MIUCZFWBCFZKEU-UHFFFAOYSA-N
BMGC_DG11410,BMG_DG157331,CCC#CC[C@H](C)[C@@H](C#C[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)O,OC(=O)COC/C=C\1/C[C@]2([C@](C[C@H]([C@@H]2C#C[C@@H](O)[C@H](CC#CCC)C)O)(C1)[H])[H],"InChI=1S/C22H30O5/c1-3-4-5-6-15(2)20(23)8-7-18-19-12-16(9-10-27-14-22(25)26)11-17(19)13-21(18)24/h9,15,17-21,23-24H,3,6,10-14H2,1-2H3,(H,25,26)/b16-9+/t15-,17-,18+,19-,20+,21+/m0/s1",ARUGKOZUKWAXDS-SEWALLKFSA-N
BMGC_DG11411,BMG_DG157333,CO[C@@H]1CN(CC[C@@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F,,"InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m0/s1",DCSUBABJRXZOMT-RBBKRZOGSA-N
BMGC_DG11412,BMG_DG157334,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)F)C,[C@]12([C@@]3([C@]([C@@]4(C[C@H](C)[C@@]([C@]4(C[C@@H]3O)C)(C(=O)CCl)O)[H])(CCC1=CC(=O)C=C2)[H])F)C,"InChI=1S/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",FCSHDIVRCWTZOX-DVTGEIKXSA-N
BMGC_DG11413,BMG_DG157335,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)CO)C)O)Cl)C)F,[C@]12([C@@]3([C@@]([C@@]4(C[C@@H](C)[C@@H]([C@]4(C[C@@H]3O)C)C(=O)CO)[H])([H])C[C@@H](C1=CC(=O)C=C2)F)Cl)C,"InChI=1S/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1",YMTMADLUXIRMGX-RFPWEZLHSA-N
BMGC_DG11414,BMG_DG157336,C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](COC2=CC(=CC=C2)Cl)O)C/C=C\CCCC(=O)O)O,[C@@H]1([C@@H](O)C[C@H]([C@@H]1/C=C/[C@@H](O)COc2cccc(Cl)c2)O)C/C=C\CCCC(=O)O,"InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1",VJGGHXVGBSZVMZ-QIZQQNKQSA-N
BMGC_DG11415,BMG_DG157337,CCC(C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)[C@@H](C)O,,"InChI=1S/C52H98N16O13/c1-9-29(6)11-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-27(2)3)66-50(79)39(26-28(4)5)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t29?,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+/m1/s1",YKQOSKADJPQZHB-QNPLFGSASA-N
BMGC_DG11416,BMG_DG157338,,c12c(n(-c3c(cc(C)cc3C)C)cc1C)nc(C)nc2N(CCCC)CC,,FHQYJZCJRZHINA-UHFFFAOYSA-N
BMGC_DG11417,BMG_DG157339,,c1c(cccc1)[C@@H]2NCCC[C@@H]2NCc3ccccc3OC,,DTQNEFOKTXXQKV-HKUYNNGSSA-N
BMGC_DG11418,BMG_DG157340,COC1=C(C=C(C=C1)CCNC[C@@H](C2=CC=C(C=C2)O)O)OC,c1(ccc(O)cc1)[C@@H](O)CNCCc2ccc(c(c2)OC)OC,"InChI=1S/C18H23NO4/c1-22-17-8-3-13(11-18(17)23-2)9-10-19-12-16(21)14-4-6-15(20)7-5-14/h3-8,11,16,19-21H,9-10,12H2,1-2H3/t16-/m0/s1",VHSBBVZJABQOSG-INIZCTEOSA-N
BMGC_DG11419,BMG_DG157341,C1C[C@H](N(C1)C(=O)[C@@H]2CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N,N1(CCC[C@H]1C(=O)N[C@@H](C(NCC(N)=O)=O)CCCNC(N)=N)C([C@@H]2CSSCCC(N[C@H](C(N[C@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C(N2)=O)CC(N)=O)Cc3ccccc3)=O)Cc4ccc(cc4)O)=O)=O,"InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1",NFLWUMRGJYTJIN-PNIOQBSNSA-N
BMGC_DG11420,BMG_DG157342,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@]35C)O,[C@@]12([C@@]3([C@@]([C@@]4(CCC=5[C@@]([C@]4([C@H](C3)O)[H])(C=CC(=O)C5)C)[H])([H])C[C@]1(OC(O2)(C)C)[H])C)C(=O)CO,"InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1",WBGKWQHBNHJJPZ-LECWWXJVSA-N
BMGC_DG11421,BMG_DG157343,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)CO)C)O)F)C,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)F)(C=CC(=O)C4)C)[H])(C[C@H]([C@@H]2C(=O)CO)C)[H])C,"InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1",VWVSBHGCDBMOOT-IIEHVVJPSA-N
BMGC_DG11422,BMG_DG157344,CC1=C(C(=CC=C1)[C@H](C)C2=CN=CN2)C,c1(c(c(C)ccc1)C)[C@@H](c2[nH]cnc2)C,"InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1",CUHVIMMYOGQXCV-NSHDSACASA-N
BMGC_DG11423,BMG_DG157345,C1CC2=CC(=C(C=C2[C@H]3[C@H]1NCC4=CC=CC=C34)O)O,c12[C@@]3(c4c(cccc4)CN[C@]3(CCc1cc(c(c2)O)O)[H])[H],"InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m0/s1",BGOQGUHWXBGXJW-YOEHRIQHSA-N
BMGC_DG11424,BMG_DG157346,C[C@H]\1CC[C@@H](C/C1=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C)O,C1C/C(/[C@]2([C@](C1)([C@](CC2)([C@H](C)/C=C/[C@@H](C(C)C)C)[H])C)[H])=C\C=C/3\[C@H](CC[C@@H](C3)O)C,"InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25-,26+,27-,28+/m0/s1",ILYCWAKSDCYMBB-OPCMSESCSA-N
BMGC_DG11425,BMG_DG157348,C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N,,"InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1",ZEXLJFNSKAHNFH-SYKYGTKKSA-N
BMGC_DG11426,BMG_DG157349,C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N,C([C@@H]1CCCN1C(=O)[C@@H](N)Cc2ccc(O)cc2)(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc3ccccc3)Cc4ccccc4,"InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1",XIJHWXXXIMEHKW-LJWNLINESA-N
BMGC_DG11427,BMG_DG157351,CCCCCCCC/C=C\CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,C(\CCCCCCCC)=C\CCCCCCCC(NCc1cc(c(cc1)O)OC)=O,"InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)/b11-10-",OPZKBPQVWDSATI-KHPPLWFESA-N
BMGC_DG11428,BMG_DG157352,,c1cccc2c1nccc2C(=O)N[C@@H]3CC[C@H](CC3)CCN4CCc5cc(ccc5C4)C#N,,OLWRVVHPJFLNPW-LSNLESRRSA-N
BMGC_DG11429,BMG_DG157353,,C(c1ccc(cc1)F)(=O)Nc2cc3c4C[C@@H](CCc4[nH]c3cc2)N(C)C,,GKWHICIUSVVNGX-MRXNPFEDSA-N
BMGC_DG11430,BMG_DG157354,C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)C/C=C\CCCC(=O)O)O,C(c1cc(OC[C@@H](\C=C\[C@@H]2[C@H]([C@@H](O)C[C@H]2O)C/C=C\CCCC(=O)O)O)ccc1)(F)(F)F,"InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1",WWSWYXNVCBLWNZ-QIZQQNKQSA-N
BMGC_DG11431,BMG_DG157355,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)O)C)O)F)C)F,[C@]12([C@@]3([C@@]([C@@]4(C[C@@H](C)[C@@]([C@]4(C[C@@H]3O)C)(C(SCF)=O)O)[H])([H])C[C@@H](C1=CC(C=C2)=O)F)F)C,"InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1",MGNNYOODZCAHBA-GQKYHHCASA-N
BMGC_DG11432,BMG_DG157357,C[C@@]12[C@H]([C@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC,,"InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20+,26-,28-/m0/s1",HKSZLNNOFSGOKW-VCPDCAFQSA-N
BMGC_DG11433,BMG_DG157358,CC1=C(C=CC(=C1)NC2=NC=C3C=C(C(=O)N(C3=N2)C)C4=C(C=CC=C4Cl)Cl)F,c1(nc2c(cn1)cc(c(n2C)=O)-c3c(cccc3Cl)Cl)Nc4cc(c(cc4)F)C,"InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)",SLCFEJAMCRLYRG-UHFFFAOYSA-N
BMGC_DG11434,BMG_DG157359,CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)/C=C/C4=CN=C(C=C4)NC(=O)C)Cl)C=C1,Clc1c(COc2c3nc(ccc3ccc2)C)c(Cl)ccc1N(C(=O)CNC(=O)/C=C/c4ccc(nc4)NC(=O)C)C,"InChI=1S/C30H27Cl2N5O4/c1-18-7-10-21-5-4-6-25(30(21)35-18)41-17-22-23(31)11-12-24(29(22)32)37(3)28(40)16-34-27(39)14-9-20-8-13-26(33-15-20)36-19(2)38/h4-15H,16-17H2,1-3H3,(H,34,39)(H,33,36,38)/b14-9+",XCKWRUGRUFVXGC-NTEUORMPSA-N
BMGC_DG11435,BMG_DG157360,C([C@H]([C@H]([C@H](C=O)O)O)O)O,C(=O)[C@@H]([C@@H]([C@@H](CO)O)O)O,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m0/s1",PYMYPHUHKUWMLA-LMVFSUKVSA-N
BMGC_DG11436,BMG_DG157362,CC(C)(CC[C@H](C[C@@H]([C@H](CC1=CC(=CC=C1)F)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)N)O,c1(nc2ccccc2nc1)C(N[C@H]([C@H](C[C@H](C(=O)N)CCC(O)(C)C)O)Cc3cc(F)ccc3)=O,"InChI=1S/C26H31FN4O4/c1-26(2,35)11-10-17(24(28)33)14-23(32)21(13-16-6-5-7-18(27)12-16)31-25(34)22-15-29-19-8-3-4-9-20(19)30-22/h3-9,12,15,17,21,23,32,35H,10-11,13-14H2,1-2H3,(H2,28,33)(H,31,34)/t17-,21+,23+/m1/s1",YEQJVHQCUDMXFG-FHZYATBESA-N
BMGC_DG11437,BMG_DG157364,CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6,C([C@H](NC([C@H](Cc1c[nH]cn1)NC(=O)[C@@H]2CCC(N2)=O)=O)C(N[C@H](C(N[C@@H](Cc3ccc(cc3)O)C(N[C@@H](C(N[C@H](C(N[C@H](C(=O)N4[C@H](C(NNC(N)=O)=O)CCC4)CCCNC(=N)N)=O)CC(C)C)=O)COC(C)(C)C)=O)=O)CO)=O)c5c6c([nH]c5)cccc6,"InChI=1S/C59H84N18O14/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90)/t38-,39-,40-,41-,42-,43-,44-,45+,46-/m0/s1",BLCLNMBMMGCOAS-URPVMXJPSA-N
BMGC_DG11438,BMG_DG157366,C[C@@H](C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C,CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CC(=O)O)C(C)C,"InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1",LPIARALSGDVZEP-SJVNDZIOSA-N
BMGC_DG11439,BMG_DG157367,,c1ccccc1NC(=O)N[C@H]2C(N(c3c(N(C2=O)CC45CC6CC(CC(C4)C6)C5)cccc3)c7ccccc7)=O,,RZERRLOTRSJIAW-NEPGVILWSA-N
BMGC_DG11440,BMG_DG157368,C[C@@H](C(=O)CF)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2,[C@@H](NC(=O)OCc1ccccc1)(C(=O)N[C@@H](C)C(=O)CF)Cc2ccccc2,"InChI=1S/C21H23FN2O4/c1-15(19(25)13-22)23-20(26)18(12-16-8-4-2-5-9-16)24-21(27)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,26)(H,24,27)/t15-,18-/m0/s1",ASXVEBPEZMSPHB-YJBOKZPZSA-N
BMGC_DG11441,BMG_DG157369,C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)F)C)F,[C@]12([C@@]3([C@]([C@@]4(C[C@H](C)[C@@]([C@]4(C[C@@H]3O)C)(C(=O)CCl)O)[H])(C[C@@H](C1=CC(=O)C=C2)F)[H])F)C,"InChI=1S/C22H27ClF2O4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1",LEHFPXVYPMWYQD-XHIJKXOTSA-N
BMGC_DG11442,BMG_DG157371,,Oc1c2[C@]3([C@](C(Oc2cc(c1)C(CCCCCC)(C)C)(C)C)(CC[C@H](C3)CO)[H])[H],,MVEVPDCVOXJVBD-MISYRCLQSA-N
BMGC_DG11443,BMG_DG157372,CCCCCCC(C)(C)C1=CC(=C(C(=C1)OC)[C@@H]2C=C([C@@H]3C[C@H]2C3(C)C)CO)OC,,"InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m1/s1",CFMRIVODIXTERW-BHIFYINESA-N
BMGC_DG11444,BMG_DG157374,CC1=C2CCCC2=C(C=C1)OC[C@H]([C@H](C)NC(C)C)O,,"InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16+/m0/s1",VFIDUCMKNJIJTO-XJKSGUPXSA-N
BMGC_DG11445,BMG_DG157376,CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O,[C@@]12([C@H]([C@H](O)C[C@@]2(C/C(/C1)=C\CCCC(O)=O)[H])/C=C/[C@H](C(CC#CC)C)O)[H],"InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1",HIFJCPQKFCZDDL-ACWOEMLNSA-N
BMGC_DG11446,BMG_DG157378,CCCN1CCC[C@H](C1)C2=CC(=CC=C2)O,N1(C[C@H](c2cc(O)ccc2)CCC1)CCC,"InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1",HTSNFXAICLXZMA-CYBMUJFWSA-N
BMGC_DG11447,BMG_DG157379,,Oc1c2-c3c4[C@@](N(CCc4ccc3)CCC)(Cc2ccc1O)[H],,BTGAJCKRXPNBFI-HNNXBMFYSA-N
BMGC_DG11448,BMG_DG157380,,c1(n(c2c(n1[C@H]3[C@@H](CN(CC3)CC4CCCCCCC4)CO)cccc2)CC)=O,,MBGVUMXBUGIIBQ-LEWJYISDSA-N
BMGC_DG11449,BMG_DG157381,C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)Cl,c1(c[nH]c2c1cccn2)CN3CCN(CC3)c4ccc(cc4)Cl,"InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)",OGJGQVFWEPNYSB-UHFFFAOYSA-N
BMGC_DG11450,BMG_DG157382,,N=1[C@H](C(N(C)c2c(C1c3ccccc3)cccc2)=O)NC(Nc4cc(C)ccc4)=O,,KDFQABSFVYLGPM-QFIPXVFZSA-N
BMGC_DG11451,BMG_DG157384,,CCOC(=O)c1ncn-2c1[C@@]3(CCCN3C(=O)c4cc(OC)ccc42)[H],,YKYOQIXTECBVBB-AWEZNQCLSA-N
BMGC_DG11452,BMG_DG157385,CCCCC/C=C/C=C/1\[C@H](C=CC1=O)C/C=C\CCCC(=O)O,C1=C[C@H](C/C=C\CCCC(O)=O)\C(\C1=O)=C/C=C/CCCCC,"InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1",VHRUMKCAEVRUBK-GODQJPCRSA-N
BMGC_DG11453,BMG_DG157386,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2/C=C/C(=O)OC(C)(C)C)C(=O)OCC)C)C,C=1(C(C(=C(NC1C)C)C(OCC)=O)c2ccccc2/C=C/C(OC(C)(C)C)=O)C(OCC)=O,"InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+",GKQPCPXONLDCMU-CCEZHUSRSA-N
BMGC_DG11454,BMG_DG157389,CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCC2=CC=CC=C2)O)O)O,[C@H]1([C@H]([C@@H](O)C[C@H]1O)C/C=C\CCCC(=O)OC(C)C)CC[C@H](CCc2ccccc2)O,"InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1",GGXICVAJURFBLW-CEYXHVGTSA-N
BMGC_DG11455,BMG_DG157393,CCCCCCCC(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O,[C@H]1([C@H]([C@@H](O)C[C@H]1O)C/C=C\CCCC(=O)O)CCC(=O)CCCCCCC,"InChI=1S/C22H38O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27)/b9-6-/t18-,19-,20+,21-/m1/s1",TVHAZVBUYQMHBC-SNHXEXRGSA-N
BMGC_DG11456,BMG_DG157395,CCCCC[C@@H](CC[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O)O,C(CCCCCC(O)=O)[C@@H]1[C@@H](CC[C@H](CCCCC)O)[C@H](O)C[C@@H]1O,"InChI=1S/C20H38O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h15-19,21-23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,18-,19+/m0/s1",WMHAOJIJVNDMKA-BRIYLRKRSA-N
BMGC_DG11457,BMG_DG157397,CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O)O,,"InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,10-11,16-20,22-23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b11-10+,15-7-/t16-,17-,18+,19-,20+/m0/s1",XZFRIPGNUQRGPI-WLPVIMDJSA-N
BMGC_DG11458,BMG_DG157401,CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=C(C=C4)F,c1(c2c(ccc(NC(c3ccc(cc3)F)=O)c2)[nH]c1)C4CCN(CC4)C,"InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)",MDMJLMDBRQXOOI-UHFFFAOYSA-N
BMGC_DG11459,BMG_DG157402,CC1=C(C=CC(=C1)C(=O)O)[C@@H](C(=O)O)N,c1(ccc(cc1C)C(=O)O)[C@@H](C(O)=O)N,"InChI=1S/C10H11NO4/c1-5-4-6(9(12)13)2-3-7(5)8(11)10(14)15/h2-4,8H,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1",SGIKDIUCJAUSRD-QMMMGPOBSA-N
BMGC_DG11460,BMG_DG157403,,C1(c2ccccc2Sc3ccccc31)C[C@@](C(=O)O)([C@]4(C[C@H](C4)C(=O)O)[H])N,,KXEPELZEWQYLKO-QRQYBIJMSA-N
BMGC_DG11461,BMG_DG157404,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O,,"InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1",WRGQSWVCFNIUNZ-GDCKJWNLSA-N
BMGC_DG11462,BMG_DG157405,[O-][Si](=O)O[Si]([O-])([O-])O[Si](=O)[O-].[Mg+2].[Mg+2],[O-][Si](O[Si](O[Si]([O-])=O)([O-])[O-])=O.[Mg+2].[Mg+2],"InChI=1S/2Mg.O8Si3/c;;1-9(2)7-11(5,6)8-10(3)4/q2*+2;-4",GXGAKHNRMVGRPK-UHFFFAOYSA-N
BMGC_DG11463,BMG_DG157406,,C(OC(N[C@@H](CC1CCCCC1)C(N[C@H](C(Nc2cc3c(cc2)c(C)cc(=O)o3)=O)CCCCN)=O)=O)C4c5c(-c6c4cccc6)cccc5,,IKNOZZKXIDSTRN-PXLJZGITSA-N
BMGC_DG11464,BMG_DG157407,COC1=CC=CC(=C1OC)[C@@H](C2CCN(CC2)CCC3=CC=C(C=C3)F)O,c1(c(c(ccc1)OC)OC)[C@@H](C2CCN(CCc3ccc(F)cc3)CC2)O,"InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1",HXTGXYRHXAGCFP-OAQYLSRUSA-N
BMGC_DG11465,BMG_DG157409,,c1cc(ccn1)-c2[nH]c(cc2-c3c(ccc(c3)Br)OCCC)-c4ccc(cc4)Cl,,HHBOWXZOLYQFNY-UHFFFAOYSA-N
BMGC_DG11466,BMG_DG157412,C[C@@H]1CCC[C@H](/C=C/C(=O)O[C@]23[C@@H](/C=C/C1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)CC4=CC=CC=C4)C)O)O,[C@]123[C@@]([C@@H](C([C@H]([C@@H]1/C=C/C[C@@H](CCC[C@H](/C=C/C(O2)=O)O)C)O)=C)C)([C@H](Cc4ccccc4)NC3=O)[H],"InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1",GBOGMAARMMDZGR-TYHYBEHESA-N
BMGC_DG11467,BMG_DG157414,CNC1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O,,"InChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7+,8+/m0/s1",CCPLITQNIFLYQB-XLPZGREQSA-N
BMGC_DG11468,BMG_DG157415,C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O,[C@]123[C@@]4([C@H](N(CC1)CC5CCC5)Cc6c2c(c(O)cc6)O[C@]3([C@H](CC4)O)[H])O,"InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1",NETZHAKZCGBWSS-CEDHKZHLSA-N
BMGC_DG11469,BMG_DG157417,CC(C)C1CCC(CC1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O,C(N[C@@H](C(=O)O)Cc1ccccc1)([C@@H]2CC[C@@H](CC2)C(C)C)=O;C(N[C@@H](C(=O)O)Cc1ccccc1)([C@H]2CC[C@@H](CC2)C(C)C)=O,"InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15?,16?,17-/m1/s1",OELFLUMRDSZNSF-OFLPRAFFSA-N;OELFLUMRDSZNSF-BRWVUGGUSA-N;OELFLUMRDSZNSF-IXDOHACOSA-N
BMGC_DG11470,BMG_DG157418,C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CN=CN2)N)O,[C@@H](NC([C@H](CO)NC([C@H](CC(=O)O)NC([C@@]([C@H](O)C)([H])NC([C@H](CCCCN)NC([C@@H](N)Cc1nc[nH]c1)=O)=O)=O)=O)=O)(C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N)CCSC)Cc2ccccc2,"InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1",HEAUFJZALFKPBA-JPQUDPSNSA-N
BMGC_DG11471,BMG_DG157419,CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)N,,"InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1",NHXYSAFTNPANFK-HDMCBQFHSA-N
BMGC_DG11472,BMG_DG157421,,,,
BMGC_DG11473,BMG_DG157428,,C(c1c(cccc1)COc2ccc(cc2)CC)(=O)Nc3cc4c(cc(nc4cc3)C)N,,VTGBZWHPJFMTKS-UHFFFAOYSA-N
BMGC_DG11474,BMG_DG157430,CC1=C(C=CC(=C1)CN2C=NC3=C2C[C@H](N(C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)N(C)C,Cc1cc(ccc1N(C)C)Cn2cnc3CN([C@@H](Cc32)C(=O)O)C(=O)C(c4ccccc4)c5ccccc5,"InChI=1S/C31H32N4O3/c1-21-16-22(14-15-26(21)33(2)3)18-34-20-32-25-19-35(28(31(37)38)17-27(25)34)30(36)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-16,20,28-29H,17-19H2,1-3H3,(H,37,38)/t28-/m0/s1",YSTVFDAKLDMYCR-NDEPHWFRSA-N
BMGC_DG11475,BMG_DG157431,CCCN1CCO[C@H]2[C@H]1COC3=C2C=C(C=C3)O,,"InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1",YOILXOMTHPUMRG-TZMCWYRMSA-N
BMGC_DG11476,BMG_DG157433,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OCCN6CCOCC6)O[C@H]3[C@H](C=C4)O,[C@@]123c4c5c(OCCN6CCOCC6)ccc4C[C@H]([C@@]1(C=C[C@@H]([C@@]2(O5)[H])O)[H])N(CC3)C,"InChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3/t16-,17+,18-,22-,23-/m0/s1",GPFAJKDEDBRFOS-FKQDBXSBSA-N
BMGC_DG11477,BMG_DG157436,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(C(C1)=O)[H])(CCC(=O)C4)C)[H])(CC[C@@H]2C(=O)CO)[H])C,"InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,19,22H,3-8,10-11H2,1-2H3/t14-,15-,16+,19+,20-,21-/m0/s1",FUFLCEKSBBHCMO-KJQYFISQSA-N
BMGC_DG11478,BMG_DG157437,C[C@H]1[C@@H](C[C@@]2(C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)/C=C(\C)/C(=C/C=C/C(=C\C#N)/C)/C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1C/C=C/C3=COC(=N3)[C@@H](C)CCNC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O,CC1([C@@]2(C[C@@H](O)[C@H](C)[C@H](C/C=C/c3coc([C@@H](C)CCNC(=O)[C@@H](O)[C@@H](O)[C@@H](N(C)C)COC)n3)O2)O[C@]([H])([C@@H](OC)C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C(\C)/C(/C)=C/C=C/C(/C)=C\C#N)[C@@H]1OP(O)(O)=O)C,"InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20-,30-17+,32-24+/t31-,33+,34-,35-,37-,38-,39+,40-,41-,42+,43-,44-,45+,46-,50+/m0/s1",FKAWLXNLHHIHLA-YCBIHMBMSA-N
BMGC_DG11479,BMG_DG157441,COC1=CC=CC(=C1)C2=CN(C3=NC=NC(=C23)N)C4=CC=C(C=C4)CCN5CCC(CC5)O,N1(CCC(CC1)O)CCc2ccc(cc2)-n3cc(c4c3ncnc4N)-c5cc(ccc5)OC,"InChI=1S/C26H29N5O2/c1-33-22-4-2-3-19(15-22)23-16-31(26-24(23)25(27)28-17-29-26)20-7-5-18(6-8-20)9-12-30-13-10-21(32)11-14-30/h2-8,15-17,21,32H,9-14H2,1H3,(H2,27,28,29)",WUPXZZWTHIZICK-UHFFFAOYSA-N
BMGC_DG11480,BMG_DG157442,,CCN(CC)CCOc1ccc(cc1)Nc2ncc3cc(-c4c(cccc4Cl)Cl)c(=O)n(C)c3n2,,IFPPYSWJNWHOLQ-UHFFFAOYSA-N
BMGC_DG11481,BMG_DG157446,CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)C,,"InChI=1S/C57H81N13O12/c1-4-34(2)48(56(81)82)68-51(76)43(31-37-23-24-38-17-8-9-18-39(38)29-37)66-52(77)44(33-71)67-50(75)42(30-36-15-6-5-7-16-36)64-47(73)32-62-53(78)45-21-13-27-69(45)55(80)46-22-14-28-70(46)54(79)41(20-12-26-61-57(59)60)65-49(74)40(63-35(3)72)19-10-11-25-58/h5-9,15-18,23-24,29,34,40-46,48,71H,4,10-14,19-22,25-28,30-33,58H2,1-3H3,(H,62,78)(H,63,72)(H,64,73)(H,65,74)(H,66,77)(H,67,75)(H,68,76)(H,81,82)(H4,59,60,61)/t34-,40-,41-,42-,43+,44-,45-,46-,48-/m0/s1",DOSXOGUJJBDRGQ-VUBDHFCFSA-N
BMGC_DG11482,BMG_DG157448,CCC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)OC(=O)C)N5CCCCC5)C)C)[N+]6(CCCCC6)CC=C,[C@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC1)[H])(C[C@H](N5CCCCC5)[C@H](C4)OC(=O)C)C)[H])[H])(C[C@@H]([C@@H]2OC(=O)CC)[N+]6(CC=C)CCCCC6)[H])C,"InChI=1S/C37H61N2O4/c1-6-20-39(21-12-9-13-22-39)32-24-30-28-15-14-27-23-33(42-26(3)40)31(38-18-10-8-11-19-38)25-37(27,5)29(28)16-17-36(30,4)35(32)43-34(41)7-2/h6,27-33,35H,1,7-25H2,2-5H3/q+1/t27-,28+,29-,30-,31-,32-,33-,35-,36-,37-/m0/s1",HTIKWNNIPGXLGM-YLINKJIISA-N
BMGC_DG11483,BMG_DG157449,CCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C)C,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)[H])(C=CC(=O)C4)C)[H])(C[C@H]([C@@]2(C(=O)CC)C)C)[H])C,"InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17+,18+,19+,21-,22+,23+,24-/m1/s1",QTTRZHGPGKRAFB-OOKHYKNYSA-N
BMGC_DG11484,BMG_DG157450,CCCCC(C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCCO)O)O,[C@@H]1(/C=C/CC(C)(O)CCCC)[C@@H](CCCCCCCO)C(=O)C[C@H]1O,"InChI=1S/C21H38O4/c1-3-4-13-21(2,25)14-10-12-18-17(19(23)16-20(18)24)11-8-6-5-7-9-15-22/h10,12,17-18,20,22,24-25H,3-9,11,13-16H2,1-2H3/b12-10+/t17-,18-,20-,21?/m1/s1",SPOAFZKFCYREMW-FWYLUGOYSA-N
BMGC_DG11485,BMG_DG157452,CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)O,c1(C(N[C@H](c2ccccc2)CC)=O)c(c(-c3ccccc3)nc4c1cccc4)O,"InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1",BIAVGWDGIJKWRM-FQEVSTJZSA-N
BMGC_DG11486,BMG_DG157456,C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O,C1([C@@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](N1C)C)=O)Cc2ccc(O)cc2)=O)Cc3c[nH]c4ccccc34)=O)CCCCN)=O)C(C)C)=O)Cc5ccccc5)=O,"InChI=1S/C44H56N8O7/c1-26(2)38-43(58)50-37(23-28-12-6-5-7-13-28)44(59)52(4)27(3)39(54)48-35(22-29-17-19-31(53)20-18-29)41(56)49-36(24-30-25-46-33-15-9-8-14-32(30)33)42(57)47-34(40(55)51-38)16-10-11-21-45/h5-9,12-15,17-20,25-27,34-38,46,53H,10-11,16,21-24,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,58)(H,51,55)/t27-,34-,35-,36+,37-,38-/m0/s1",NPJIOCBFOAHEDO-AVWFULIKSA-N
BMGC_DG11487,BMG_DG157457,,c1ccccc1/C=C/c2nc(C)ccc2,,SISOFUCTXZKSOQ-ZHACJKMWSA-N
BMGC_DG11488,BMG_DG157459,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CC3(C[C@H]2C(=O)O)SCCS3,N1(C([C@@H](N[C@H](C(=O)OCC)CCc2ccccc2)C)=O)[C@@H](CC3(C1)SCCS3)C(=O)O,"InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15-,17-,18-/m0/s1",HRWCVUIFMSZDJS-SZMVWBNQSA-N
BMGC_DG11489,BMG_DG157460,,,,
BMGC_DG11490,BMG_DG157461,,N(C(=O)c1nn(c(c1)-c2c(OC)cccc2OC)-c3c(C(C)C)cc(C(N(CCCN(C)C)C)=O)cc3)C4(C(O)=O)C5CC6CC4CC(C5)C6,,LWULHXVBLMWCHO-UHFFFAOYSA-N
BMGC_DG11491,BMG_DG157462,CCC1=CC=CC=C1OC[C@H](CN[C@H]2CCCC3=CC=CC=C23)O,c1c(c(ccc1)CC)OC[C@@H](O)CN[C@@H]2c3ccccc3CCC2,"InChI=1S/C21H27NO2/c1-2-16-8-4-6-13-21(16)24-15-18(23)14-22-20-12-7-10-17-9-3-5-11-19(17)20/h3-6,8-9,11,13,18,20,22-23H,2,7,10,12,14-15H2,1H3/t18-,20-/m0/s1",VFDHMSXXELYMRW-ICSRJNTNSA-N
BMGC_DG11492,BMG_DG157463,CC(C)(C)C(/C=C/C1=CC2=C(C=C1)OCO2)O,c12c(OCO1)ccc(\C=C\C(C(C)(C)C)O)c2,"InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+",IBLNKMRFIPWSOY-FNORWQNLSA-N
BMGC_DG11493,BMG_DG157468,CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)O,,"InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)",UYDRRQPGDSIMNU-UHFFFAOYSA-N
BMGC_DG11494,BMG_DG157471,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O,,"InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(23-8)3-22-26(16,17)24-27(18,19)25-28(20,21)29/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,18,19)(H,10,12,15)(H2,20,21,29)/t4-,6-,7-,8-/m1/s1",DUDALCZPYHIGIR-XVFCMESISA-N
BMGC_DG11495,BMG_DG157472,CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC,[C@@]1(c2c(c3ccccc3[nH]2)CN4CC(=C[C@@H](C1)C4)CC)(c5cc6[C@@]78[C@@]([C@](C(=O)OC)(O)[C@@H]([C@]9([C@@]7(N(CC=C9)CC8)[H])CC)OC(=O)C)([H])N(c6cc5OC)C)C(=O)OC,"InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45-/m0/s1",GBABOYUKABKIAF-IELIFDKJSA-N
BMGC_DG11496,BMG_DG157473,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",FDJOLVPMNUYSCM-WZHZPDAFSA-L
BMGC_DG11497,BMG_DG157475,CC1=C(C2=C3N1[C@@H](COC3=CC=C2)CN4CCOCC4)C(=O)C5=CC=CC6=CC=CC=C65,n12c3c(cccc3OC[C@H]1CN4CCOCC4)c(c2C)C(c5cccc6c5cccc6)=O,"InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1",HQVHOQAKMCMIIM-HXUWFJFHSA-N
BMGC_DG11498,BMG_DG157476,C[C@@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(CCCO)O)C5=CC=C(C=C5)N(C)C,C12=C3C(=CC(CC3)=O)CC[C@]1([C@@]4(CC[C@]([C@@]4(C[C@@H]2c5ccc(cc5)N(C)C)C)(O)CCCO)[H])[H],"InChI=1S/C29H39NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,4,7,10-16,18H2,1-3H3/t24-,25+,26-,28+,29+/m0/s1",IEXUMDBQLIVNHZ-YOUGDJEHSA-N
BMGC_DG11499,BMG_DG157477,C1CN(CCN1CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO,N1(CCO)CCN(CC/C=C\2/c3ccccc3Sc4c2cc(cc4)Cl)CC1,"InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5-",WFPIAZLQTJBIFN-DVZOWYKESA-N
BMGC_DG11500,BMG_DG157478,,C(c1cc(ccc1)-c2ncnc(c2)Nc3ccc(cc3)OC(F)(F)F)(=O)N,,WEVYNIUIFUYDGI-UHFFFAOYSA-N
BMGC_DG11501,BMG_DG157479,CC(=O)CC(=O)CCC(=O)O,C(=O)(CCC(CC(=O)C)=O)O,"InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)",WYEPBHZLDUPIOD-UHFFFAOYSA-N
BMGC_DG11502,BMG_DG157481,C1=CC=C(C=C1)[C@H](C(=O)O)NC(=O)[C@H](CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)NC(=O)CC[C@@H](C(=O)O)N,P(N(CCCl)CCCl)(N(CCCl)CCCl)(=O)OCCS(C[C@@H](C(N[C@@H](C(=O)O)c1ccccc1)=O)NC(=O)CC[C@@H](C(=O)O)N)(=O)=O,"InChI=1S/C26H40Cl4N5O10PS/c27-8-12-34(13-9-28)46(42,35(14-10-29)15-11-30)45-16-17-47(43,44)18-21(32-22(36)7-6-20(31)25(38)39)24(37)33-23(26(40)41)19-4-2-1-3-5-19/h1-5,20-21,23H,6-18,31H2,(H,32,36)(H,33,37)(H,38,39)(H,40,41)/t20-,21-,23+/m0/s1",OJLHWPALWODJPQ-QNWVGRARSA-N
BMGC_DG11503,BMG_DG157482,C1CC(CCC1CNC2=NC3=CC=CC=C3C(=N2)N)CNS(=O)(=O)C4=CC=CC5=CC=CC=C54,c1(cccc2ccccc12)S(=O)(=O)NC[C@H]3CC[C@@H](CC3)CNc4nc5ccccc5c(n4)N,"InChI=1S/C26H29N5O2S/c27-25-22-9-3-4-10-23(22)30-26(31-25)28-16-18-12-14-19(15-13-18)17-29-34(32,33)24-11-5-7-20-6-1-2-8-21(20)24/h1-11,18-19,29H,12-17H2,(H3,27,28,30,31)",UULIGRNKXHCLQN-UHFFFAOYSA-N;UULIGRNKXHCLQN-WGSAOQKQSA-N
BMGC_DG11504,BMG_DG157487,C[C@H](CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCO)NCCOC3=CC=CC=C3OCC(F)(F)F,c1(c2c(CCN2CCCO)cc(c1)C[C@H](NCCOc3c(OCC(F)(F)F)cccc3)C)C(=O)N,"InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1",PNCPYILNMDWPEY-QGZVFWFLSA-N
BMGC_DG11505,BMG_DG157488,CN([C@@H](CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC7=C6C=CN=C7,c1c2c(ccnc2)c(cc1)S(=O)(=O)N(C)[C@@H](Cc3ccc(cc3)OS(c4c5c(ccc4)cncc5)(=O)=O)C(N6CCN(CC6)c7ccccc7)=O,"InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1",RJVLFQBBRSMWHX-DHUJRADRSA-N
BMGC_DG11506,BMG_DG157491,,,,
BMGC_DG11507,BMG_DG157492,C1C[C@H]2C[C@@H]1[C@@H]([C@H]2NS(=O)(=O)C3=CC=CC=C3)C/C=C\CCCC(=O)O,C1C[C@@H]2C[C@H]1[C@H](NS(=O)(c3ccccc3)=O)[C@H]2C/C=C\CCCC(O)=O,"InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18+,20+/m1/s1",PWTCIBWRMQFJBC-ZEMKZVSASA-N
BMGC_DG11508,BMG_DG157494,,c1(c(ccc(c1)[N+](=O)[O-])Nc2ccc(cc2)C)S(=O)(=O)NC(=O)NC(C)(C)C,,SILRUCMXYIKULW-UHFFFAOYSA-N
BMGC_DG11509,BMG_DG157495,,CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1,,JELFWSXQTXRMAJ-UHFFFAOYSA-N
BMGC_DG11510,BMG_DG157496,CC1CCN(CC1)CC[C@@H](C)N(C)S(=O)(=O)C2=CC=CC(=C2)C,N([C@@H](CCN1CCC(C)CC1)C)(C)S(c2cc(C)ccc2)(=O)=O,"InChI=1S/C18H30N2O2S/c1-15-8-11-20(12-9-15)13-10-17(3)19(4)23(21,22)18-7-5-6-16(2)14-18/h5-7,14-15,17H,8-13H2,1-4H3/t17-/m1/s1",AGVNHDNTFYHZNL-QGZVFWFLSA-N
BMGC_DG11511,BMG_DG157497,,C1CNCCN1c2cc(NS(c3sc4ccc(cc4c3C)Cl)(=O)=O)ccc2OC,,LOCQRDBFWSXQQI-UHFFFAOYSA-N
BMGC_DG11512,BMG_DG157498,CS(=O)(=O)NC(=O)CCC/C=C\C[C@@H]1[C@H]([C@@H](CC1=O)O)/C=C/[C@H](COC2=CC=CC=C2)O,S(NC(=O)CCC/C=C\C[C@H]1C(C[C@H]([C@@H]1/C=C/[C@H](COc2ccccc2)O)O)=O)(=O)(=O)C,"InChI=1S/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2-,14-13+/t17-,19-,20-,22-/m1/s1",UQZVCDCIMBLVNR-TWYODKAFSA-N
BMGC_DG11513,BMG_DG157523,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,C(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-",JIWBIWFOSCKQMA-LTKCOYKYSA-N
BMGC_DG11514,BMG_DG157528,CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O,,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-",AHANXAKGNAKFSK-PDBXOOCHSA-N
BMGC_DG11515,BMG_DG157559,CCCCCCCCC[C@H](CC(=O)O)O,CCCCCCCCC[C@H](CC(=O)O)O,"InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1",MUCMKTPAZLSKTL-LLVKDONJSA-N
BMGC_DG11516,BMG_DG157564,CCCCC/C=C\C=C\[C@H](CCCCCCCC(=O)O)O,O[C@@H](CCCCCCCC(O)=O)/C=C/C=C\CCCCC,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1",NPDSHTNEKLQQIJ-UINYOVNOSA-N
BMGC_DG11517,BMG_DG157580,CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,,"InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1",CITHEXJVPOWHKC-UUWRZZSWSA-O
BMGC_DG11518,BMG_DG157583,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,C(=O)(CCC(=O)OCC[N+](C)(C)C)OCC[N+](C)(C)C,"InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2",AXOIZCJOOAYSMI-UHFFFAOYSA-N
BMGC_DG11519,BMG_DG157593,C1=CC(=CC=C1NC(=O)CCC(=O)O)S(=O)(=O)NC2=NC=CS2,S(Nc1nccs1)(c2ccc(NC(=O)CCC(=O)O)cc2)(=O)=O,"InChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19)",SKVLYVHULOWXTD-UHFFFAOYSA-N
BMGC_DG11520,BMG_DG157597,CC(=CCC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O)C,,"InChI=1S/C20H18O7/c1-9(2)3-4-10-5-11(6-14(23)17(10)24)20-19(26)18(25)16-13(22)7-12(21)8-15(16)27-20/h3,5-8,21-24,26H,4H2,1-2H3",WOMWVGHYSNATOB-UHFFFAOYSA-N
BMGC_DG11521,BMG_DG157612,C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)Cl,c12c3c(cccc3)oc1c(Cl)ccc2,InChI=1S/C12H7ClO/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H,RHRYBWFAHXCUCR-UHFFFAOYSA-N
BMGC_DG11522,BMG_DG157617,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O,COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1-c4c(O)cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc45,"InChI=1S/C31H20O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-36H,1H3",IWEIJEPIYMAGTH-UHFFFAOYSA-N
BMGC_DG11523,BMG_DG157620,C1=CC(=CC=C1/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O,C(=C/c1ccc(cc1)O)\C(CC(/C=C/c2ccc(cc2)O)=O)=O,"InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2/b11-5+,12-6+",PREBVFJICNPEKM-YDWXAUTNSA-N
BMGC_DG11524,BMG_DG157622,,C(CCc1ccc(O)cc1)c2c(O)cc(OC)cc2,,MSNVBURPCQDLEP-UHFFFAOYSA-N
BMGC_DG11525,BMG_DG157626,C1=CC(=C(C=C1CC(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O,,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+",DOUMFZQKYFQNTF-ZZXKWVIFSA-N
BMGC_DG11526,BMG_DG157628,CCCCCC1=CC(=C(C(=C1)O)C/C=C(\C)/CCC=C(C)C)O,c1(c(cc(cc1O)CCCCC)O)C/C=C(\C)/CCC=C(C)C,"InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+",QXACEHWTBCFNSA-SFQUDFHCSA-N
BMGC_DG11527,BMG_DG157634,,c12c(c(OC)c(oc1cc(c(c2O)OC)O)-c3cc(O)c(cc3)OC)=O,,BZXULYMZYPRZOG-UHFFFAOYSA-N
BMGC_DG11528,BMG_DG157644,C1=CC=C(C=C1)/C=C/CO,C(=C/CO)\c1ccccc1,"InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+",OOCCDEMITAIZTP-QPJJXVBHSA-N
BMGC_DG11529,BMG_DG157670,COC1=C(C=CC2=C1OC(=O)C=C2)O,,"InChI=1S/C10H8O4/c1-13-10-7(11)4-2-6-3-5-8(12)14-9(6)10/h2-5,11H,1H3",HAQWEMHXSIRYBE-UHFFFAOYSA-N
BMGC_DG11530,BMG_DG157676,CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)C,C(C=C(C)C)c1cc2c(cc1O)oc(cc2)=O,"InChI=1S/C14H14O3/c1-9(2)3-4-10-7-11-5-6-14(16)17-13(11)8-12(10)15/h3,5-8,15H,4H2,1-2H3",FIDUIAPDSKSUGO-UHFFFAOYSA-N
BMGC_DG11531,BMG_DG157681,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O,c1(c(c2c(oc1-c3ccc(cc3)O)cc(cc2O)O)=O)O[C@H]4[C@@H]([C@H](O)[C@H]([C@@H](O4)C)O)O,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1",SOSLMHZOJATCCP-AEIZVZFYSA-N
BMGC_DG11532,BMG_DG157691,,C(=C/c1cc(cc(c1)OC)OC)\c2ccccc2,,BIYGTLDPTJMNET-CMDGGOBGSA-N
BMGC_DG11533,BMG_DG157705,,COc1ccc(cc1)-c2cc(=O)c3c(o2)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O,,YFVGIJBUXMQFOF-PJOVQGMDSA-N
BMGC_DG11534,BMG_DG157717,COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O,c1(cc2c(c(cc(o2)-c3ccc(O)c(O)c3)=O)c(O)c1OC)O,"InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3",FHHSEFRSDKWJKJ-UHFFFAOYSA-N
BMGC_DG11535,BMG_DG157718,,c12c(c(O)c(oc1cc(c(c2O)OC)OC)-c3cc(O)c(cc3)OC)=O,,ZZEQOHMDRQUMMH-UHFFFAOYSA-N
BMGC_DG11536,BMG_DG157721,CCCCCCC/C=C\C(C#CC#CC(C=C)O)O,,"InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-",QWCNQXNAFCBLLV-UVTDQMKNSA-N
BMGC_DG11537,BMG_DG157730,,c12c(Oc3c(C=O)c(O)cc(C)c3C(O1)=O)c(C)c(C(=O)O)c(O)c2COC(/C=C/C(=O)O)=O,,VEGGRTFDFMUBPD-ONEGZZNKSA-N
BMGC_DG11538,BMG_DG157744,,c12c3OC(C=Cc3c(cc2oc(=O)cc1)OC)(C)C,,WTBVBNPZXAQTHI-UHFFFAOYSA-N
BMGC_DG11539,BMG_DG157749,CC(=CCC/C(=C/COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)/C)C,c1(ccc2c(o1)c(c3c(c2)cco3)OC/C=C(/CCC=C(C)C)\C)=O,"InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+",SOVNCTNQAWWYAQ-OQLLNIDSSA-N
BMGC_DG11540,BMG_DG157765,CC1(C=CC2=C(O1)C=CC(=C2O)C3=COC4=C(C3=O)C=CC(=C4)O)C,Oc1c2C=CC(C)(C)Oc2ccc1-c3coc4cc(O)ccc4c3=O,"InChI=1S/C20H16O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-10,21-22H,1-2H3",COLMVFWKLOZOOP-UHFFFAOYSA-N
BMGC_DG11541,BMG_DG157771,COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O,c1(c(c2cc(OC)c(cc2oc1)O)=O)-c3ccc(cc3)O,"InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",DXYUAIFZCFRPTH-UHFFFAOYSA-N
BMGC_DG11542,BMG_DG157772,CC(=CCC1=C(C2=C(C=C1O)OC(=O)C(=C2)C3=C(C=C(C=C3)O)O)OC)C,c1(cc2c(c(c1CC=C(C)C)OC)cc(c(o2)=O)-c3c(O)cc(cc3)O)O,"InChI=1S/C21H20O6/c1-11(2)4-6-14-18(24)10-19-16(20(14)26-3)9-15(21(25)27-19)13-7-5-12(22)8-17(13)23/h4-5,7-10,22-24H,6H2,1-3H3",NZYSZZDSYIBYLC-UHFFFAOYSA-N
BMGC_DG11543,BMG_DG157786,C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl,c1(c(cc(cc1)Cl)Cl)C(SCc2ccc(cc2)Cl)Cn3cncc3,"InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2",AFNXATANNDIXLG-UHFFFAOYSA-N
BMGC_DG11544,BMG_DG157789,CC(=CCC1=C(C(=CC2=C1NC3=CC=CC=C32)C=O)O)C,,"InChI=1S/C18H17NO2/c1-11(2)7-8-14-17-15(9-12(10-20)18(14)21)13-5-3-4-6-16(13)19-17/h3-7,9-10,19,21H,8H2,1-2H3",ICYHRFZZQCYWNF-UHFFFAOYSA-N
BMGC_DG11545,BMG_DG157805,C1=CC=C(C(=C1)/C=C/C=O)O,,"InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+",BSDNZCQPDVTDET-HWKANZROSA-N
BMGC_DG11546,BMG_DG157806,COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O,c12cc(OC)cc(O)c1c(=O)cc(-c3cc(O)c(O)cc3)o2,"InChI=1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-7,17-19H,1H3",RRRSSAVLTCVNIQ-UHFFFAOYSA-N
BMGC_DG11547,BMG_DG157809,,c1c(O)c(c2oc(cc(=O)c2c1O)-c3ccc(c(c3)O)O)O[C@H]4[C@H](O)[C@H]([C@H](O)[C@@H](CO)O4)O,,LQSNPVIQIPKOGP-OACYRQNASA-N
BMGC_DG11548,BMG_DG157810,COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,[C@H]1(O)[C@H](O)[C@@H](CO)O[C@@H](Oc2cc3c(cc2)c(=O)c(co3)-c4cc(c(cc4)OC)O)[C@@H]1O,"InChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1",WACBUPFEGWUGPB-MIUGBVLSSA-N
BMGC_DG11549,BMG_DG157814,CC1=CC(=C(C(=C1C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)O)O,,"InChI=1S/C22H32O3/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-18(5)14-20(23)22(25)21(19)24/h8,10,12,14,23-25H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+",BACDZNLMIXNCOG-JTCWOHKRSA-N
BMGC_DG11550,BMG_DG157824,,N1\C(\C(c2c1cccc2)=O)=C\3/C(c4c(N3)cccc4)=O,,COHYTHOBJLSHDF-BUHFOSPRSA-N
BMGC_DG11551,BMG_DG157828,,N(C(=O)/C=C/C=C/CCCCC)CC(C)C,,MAGQQZHFHJDIRE-BNFZFUHLSA-N
BMGC_DG11552,BMG_DG157829,C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\[C@@H](COC3=O)O)(C)CO)O,C/1(\[C@@H](COC1=O)O)=C\C[C@H]2[C@@]3(CC[C@H]([C@@]([C@@]3([H])CCC2=C)(C)CO)O)C,"InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1",BOJKULTULYSRAS-OTESTREVSA-N
BMGC_DG11553,BMG_DG157830,C/C=C/C=C/C=C/CC/C=C/C=C/C(=O)NCC(C)C,,"InChI=1S/C18H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+",KVUKDCFEXVWYBN-FMBIJHKPSA-N
BMGC_DG11554,BMG_DG157839,COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)OC,,"InChI=1S/C32H22O10/c1-39-18-6-3-15(4-7-18)26-14-24(38)31-22(36)12-21(35)29(32(31)42-26)19-9-16(5-8-25(19)40-2)27-13-23(37)30-20(34)10-17(33)11-28(30)41-27/h3-14,33-36H,1-2H3",HUOOMAOYXQFIDQ-UHFFFAOYSA-N
BMGC_DG11555,BMG_DG157840,,N1C(/C(/c2ccccc12)=C\3/C(Nc4c3cccc4)=O)=O,,MLCPSWPIYHDOKG-BUHFOSPRSA-N
BMGC_DG11556,BMG_DG157841,CC(=CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)C,c1(cc2c(c(c1)O)c(c(c(o2)-c3cc(c(cc3)O)CC=C(C)C)O)=O)O,"InChI=1S/C20H18O6/c1-10(2)3-4-11-7-12(5-6-14(11)22)20-19(25)18(24)17-15(23)8-13(21)9-16(17)26-20/h3,5-9,21-23,25H,4H2,1-2H3",PGCKDCPTJAQQSQ-UHFFFAOYSA-N
BMGC_DG11557,BMG_DG157851,,COc1c(ccc(c1)/C=C/c2cc(cc(c2)O)O)O,,ANNNBEZJTNCXHY-NSCUHMNNSA-N
BMGC_DG11558,BMG_DG157858,,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4c(c(cc(c4)O)O)c3=O)-c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,,RTATXGUCZHCSNG-QHWHWDPRSA-N
BMGC_DG11559,BMG_DG157868,CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)C,c1(c(c(c2c(o1)c(c(cc2O)O)CC=C(C)C)=O)O)-c3ccc(cc3)OC,"InChI=1S/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3",TUUXBSASAQJECY-UHFFFAOYSA-N
BMGC_DG11560,BMG_DG157871,CC(=CCC1=C(C=CC(=C1OC)/C=C/C(=O)C2=CC(=C(C=C2)O)O)O)C,,"InChI=1S/C21H22O5/c1-13(2)4-8-16-18(23)10-6-14(21(16)26-3)5-9-17(22)15-7-11-19(24)20(25)12-15/h4-7,9-12,23-25H,8H2,1-3H3/b9-5+",RDYZHQQZLIBKBP-WEVVVXLNSA-N
BMGC_DG11561,BMG_DG157873,CC(=CCC1=CC2=C(C=C1O)OC(C2=O)(C3=CC(=C(C=C3/C=C\4/C(=O)C5=C(O4)C(=C(C=C5)O)CC=C(C)C)O)O)C(=O)C6=CC(=C(C=C6)O)CC=C(C)C)C,,"InChI=1S/C45H42O10/c1-23(2)7-10-26-17-28(12-15-34(26)46)43(52)45(44(53)32-18-27(11-8-24(3)4)36(48)22-39(32)55-45)33-21-38(50)37(49)19-29(33)20-40-41(51)31-14-16-35(47)30(42(31)54-40)13-9-25(5)6/h7-9,12,14-22,46-50H,10-11,13H2,1-6H3/b40-20-",MEJLVLSNRYLDSG-MDCVPAOJSA-N
BMGC_DG11562,BMG_DG157874,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O)O,c1(c(c(c2c(o1)c(c(cc2O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@H](O3)CO)CC=C(C)C)=O)O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@@H](O4)C)-c5ccc(cc5)OC,"InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32-,33+/m0/s1",TZJALUIVHRYQQB-XLRXWWTNSA-N
BMGC_DG11563,BMG_DG157875,CC(C)(C=C)C1=C(C=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)O)OC)O,c1(c(cc(c(c1)/C=C/C(c2ccc(cc2)O)=O)OC)O)C(C=C)(C)C,"InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+",KAZSKMJFUPEHHW-DHZHZOJOSA-N
BMGC_DG11564,BMG_DG157877,C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)N,S(NC(=O)c1ccccc1)(c2ccc(cc2)N)(=O)=O,"InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)",PBCZLFBEBARBBI-UHFFFAOYSA-N
BMGC_DG11565,BMG_DG157878,,c1(cc2c(cc1CC=C(C)C)c(cc(o2)-c3ccc(cc3)O)=O)O,,HJGURBGBPIKRER-UHFFFAOYSA-N
BMGC_DG11566,BMG_DG157891,CC1(C=CC2=C(O1)C=CC(=C2)C(=O)O)C,,"InChI=1S/C12H12O3/c1-12(2)6-5-8-7-9(11(13)14)3-4-10(8)15-12/h3-7H,1-2H3,(H,13,14)",AXICIBPYBONRSP-UHFFFAOYSA-N
BMGC_DG11567,BMG_DG157919,,c1(cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)C(O)=O,,JBFOLLJCGUCDQP-ZFORQUDYSA-N
BMGC_DG11568,BMG_DG157922,,c12c(c(cc(o1)=O)C)cc(O)c(c2)O,,KVOJTUXGYQVLAJ-UHFFFAOYSA-N
BMGC_DG11569,BMG_DG157925,COC(=O)/C=C/C1=CC=C(C=C1)O,,"InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+",NITWSHWHQAQBAW-QPJJXVBHSA-N
BMGC_DG11570,BMG_DG157930,COC1=C(C=CC(=C1)O)C(=O)/C=C/C2=CC=C(C=C2)O,C(=C/c1ccc(O)cc1)\C(c2ccc(O)cc2OC)=O,"InChI=1S/C16H14O4/c1-20-16-10-13(18)7-8-14(16)15(19)9-4-11-2-5-12(17)6-3-11/h2-10,17-18H,1H3/b9-4+",PACBGANPVNHGNP-RUDMXATFSA-N
BMGC_DG11571,BMG_DG157962,CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N,S(NC(=O)C)(c1ccc(cc1)N)(=O)=O,"InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)",SKIVFJLNDNKQPD-UHFFFAOYSA-N
BMGC_DG11572,BMG_DG157980,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O)O,c12c(c(c(O)c(o1)-c3cc(c(OC)cc3)O)=O)c(cc(c2)OC)O,"InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,18-19,21H,1-2H3",BWORNNDZQGOKBY-UHFFFAOYSA-N
BMGC_DG11573,BMG_DG157983,COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=CC=C3)O,c1(cc(c2c(o1)cc(c(c2O)OC)O)=O)-c3ccccc3,"InChI=1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3",LKOJGSWUMISDOF-UHFFFAOYSA-N
BMGC_DG11574,BMG_DG157984,CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)O)C,o1c2c(ccc1=O)ccc(O)c2CC=C(C)C,"InChI=1S/C14H14O3/c1-9(2)3-6-11-12(15)7-4-10-5-8-13(16)17-14(10)11/h3-5,7-8,15H,6H2,1-2H3",RAKJVIPCCGXHHS-UHFFFAOYSA-N
BMGC_DG11575,BMG_DG157996,,O(c1ccc(-c2oc3cc(O)c(OC)c(c3c(c2)=O)O)cc1)C,,GPQLHGCIAUEJQK-UHFFFAOYSA-N
BMGC_DG11576,BMG_DG157999,,c1(oc2cc(c(c(c2c(c1OC)=O)O)OC)OC)-c3ccc(cc3)O,,YSXFFLGRZJWNFM-UHFFFAOYSA-N
BMGC_DG11577,BMG_DG158006,C1CCN(CC1)C(=O)/C=C/CCC2=CC3=C(C=C2)OCO3,C(C/C=C/C(=O)N1CCCCC1)c2cc3c(cc2)OCO3,"InChI=1S/C17H21NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h3,7-9,12H,1-2,4-6,10-11,13H2/b7-3+",QHWOFMXDKFORMO-XVNBXDOJSA-N
BMGC_DG11578,BMG_DG158007,CC(C)CNC(=O)/C=C/C=C/C1=CC2=C(C=C1)OCO2,c1(/C=C/C=C/C(NCC(C)C)=O)cc2OCOc2cc1,"InChI=1S/C16H19NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h3-9,12H,10-11H2,1-2H3,(H,17,18)/b5-3+,6-4+",WHAAPCGHVWVUEX-GGWOSOGESA-N
BMGC_DG11579,BMG_DG158011,C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O,c1(c(c(c2c(o1)cc(cc2O)O)=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@H](O3)COC(/C=C/c4ccc(cc4)O)=O)-c5ccc(cc5)O,"InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1",DVGGLGXQSFURLP-VWMSDXGPSA-N
BMGC_DG11580,BMG_DG158013,COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O,Oc1ccc2c(=O)cc(oc2c1)-c3ccc(OC)cc3,"InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-9,17H,1H3",SQVXWIUVAILQRH-UHFFFAOYSA-N
BMGC_DG11581,BMG_DG158027,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,c1(c(c(c2c(o1)cc(cc2O)O)=O)O)-c3cc(c(cc3)O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@H](O4)CO)O,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",OIUBYZLTFSLSBY-HMGRVEAOSA-N
BMGC_DG11582,BMG_DG158038,C1=CC(=C(C=C1/C=C\2/C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O,,"InChI=1S/C21H20O11/c22-7-15-18(27)19(28)20(29)21(32-15)30-9-5-12(25)16-13(6-9)31-14(17(16)26)4-8-1-2-10(23)11(24)3-8/h1-6,15,18-25,27-29H,7H2/b14-4-/t15-,18-,19+,20-,21-/m1/s1",AMJCTDBATIKENQ-YRDFTBLNSA-N
BMGC_DG11583,BMG_DG158059,,,,
BMGC_DG11584,BMG_DG158062,,[C@@]12([C@]3([C@@](O)(CN1C)OCc4c3cc5c(c4)OCO5)C=C[C@@H](OC)C2)[H],,YLWAQARRNQVEHD-PBZHRCKQSA-N
BMGC_DG11585,BMG_DG158066,CCCCCC1=CC(=C2C3C=C(CC[C@H]3C(OC2=C1)(C)C)C)O,,"InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16?,17-/m1/s1",CYQFCXCEBYINGO-ZYMOGRSISA-N
BMGC_DG11586,BMG_DG158070,,O(c1c(/C=C/c2ccc(cc2)O)cc(cc1O)O)[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O,,JAYVHSBYKLLDJC-DSNJPTTOSA-N
BMGC_DG11587,BMG_DG158079,CCN1C=CC(=NC1=O)NS(=O)(=O)C2=CC=C(C=C2)N,S(Nc1nc(=O)n(cc1)CC)(c2ccc(cc2)N)(=O)=O,"InChI=1S/C12H14N4O3S/c1-2-16-8-7-11(14-12(16)17)15-20(18,19)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,15,17)",SIBQAECNSSQUOD-UHFFFAOYSA-N
BMGC_DG11588,BMG_DG158083,C1=CC(=CC=C1C(=O)/C=C/C2=C(C=C(C=C2)O)O)O,,"InChI=1S/C15H12O4/c16-12-5-1-10(2-6-12)14(18)8-4-11-3-7-13(17)9-15(11)19/h1-9,16-17,19H/b8-4+",VDYSHUXENHRSOO-XBXARRHUSA-N
BMGC_DG11589,BMG_DG158084,C1=CC=C(C(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O,,"InChI=1S/C15H10O5/c16-8-5-11(18)15-12(19)7-13(20-14(15)6-8)9-3-1-2-4-10(9)17/h1-7,16-18H",OFYPDAKTVZXXPC-UHFFFAOYSA-N
BMGC_DG11590,BMG_DG158085,C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O)O,O=c1cc(-c2ccc(O)c(O)c2)oc3cc(O)ccc13,"InChI=1S/C15H10O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-7,16-17,19H",PVFGJHYLIHMCQD-UHFFFAOYSA-N
BMGC_DG11591,BMG_DG158096,CC(=O)C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@H]2C=CC3)C4=CC5=C(C=C4Br)OCO5,Brc1c(cc2c(c1)OCO2)[C@H]3[C@@]4([C@](c5c(N3)ccc(c5)C(C)=O)(C=CC4)[H])[H],"InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1",VHSVKVWHYFBIFJ-HKZYLEAXSA-N
BMGC_DG11592,BMG_DG158102,COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC,S(Nc1nc(OC)nc(c1)OC)(c2ccc(cc2)N)(=O)=O,"InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",ZZORFUFYDOWNEF-UHFFFAOYSA-N
BMGC_DG11593,BMG_DG158112,CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C,C=12[C@]([C@@H](OC(=O)[C@H](CC)C)C[C@H](C1)C)([C@@H](CC[C@H]3OC(=O)C[C@@H](C3)O)[C@H](C=C2)C)[H],"InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1",PCZOHLXUXFIOCF-BXMDZJJMSA-N
BMGC_DG11594,BMG_DG158114,CC(C)(C(=O)O)O/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC(=C(N4C)N)NC(=O)NCCN)C(=O)[O-],[H][C@]12N(C(=O)[C@H]1NC(=O)\C(\c3nc(N)sn3)=N/OC(C(O)=O)(C)C)C(C([O-])=O)=C(C[n+]4cc(NC(NCCN)=O)c(N)n4C)CS2,"InChI=1S/C23H30N12O8S2/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42)/b31-11-/t12-,18-/m1/s1",JHFNIHVVXRKLEF-DCZLAGFPSA-N
BMGC_DG11595,BMG_DG158115,CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl,N(c1c(Cl)c(OC)cc(OC)c1Cl)C(N(c2cc(Nc3ccc(N4CCN(CC)CC4)cc3)ncn2)C)=O,"InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)",QADPYRIHXKWUSV-UHFFFAOYSA-N
BMGC_DG11596,BMG_DG158124,C1COC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-],c1([N+]([O-])=O)oc(\C=N\N2C(OCC2)=O)cc1,"InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+",PLHJDBGFXBMTGZ-WEVVVXLNSA-N
BMGC_DG11597,BMG_DG158142,C1=CC(=CC=C1N)S(=O)(=O)N=C(N)N,S(NC(=N)N)(c1ccc(cc1)N)(=O)=O,"InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)",BRBKOPJOKNSWSG-UHFFFAOYSA-N
BMGC_DG11598,BMG_DG158145,,N[C@]1(C(O)=O)[C@]2([C@]([C@@H]2C(O)=O)([C@@H](C1)Sc3[nH]cnn3)[H])[H],,YSOWRGMLMZQSBX-AVUIYAGVSA-N
BMGC_DG11599,BMG_DG158147,CC(C)OC1=C(C=C2CC(=O)N([C@H](C2=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C)OC,COc1cc2CC(=O)N(c3ccc(N(C[C@H]4CC[C@H](N5CCN(C)C(=O)C5)CC4)C)cc3)[C@@H](c6ccc(Cl)cc6)c2cc1OC(C)C,"InChI=1S/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26?,31?,38-/m0/s1",CLRSLRWKONPSRQ-CPOWQTMSSA-N;CLRSLRWKONPSRQ-IIPSPAQQSA-N
BMGC_DG11600,BMG_DG158151,C[C@]1(C(COC(=N1)N)(F)F)C2=C(C=CC(=C2)NC(=O)C3=NC=C(C=C3)C#N)F,c1(ccc(cn1)C#N)C(=O)Nc2cc(c(cc2)F)[C@]3(N=C(OCC3(F)F)N)C,"InChI=1S/C18H14F3N5O2/c1-17(18(20,21)9-28-16(23)26-17)12-6-11(3-4-13(12)19)25-15(27)14-5-2-10(7-22)8-24-14/h2-6,8H,9H2,1H3,(H2,23,26)(H,25,27)/t17-/m1/s1",DVMUZHLUMHPCGZ-QGZVFWFLSA-N
BMGC_DG11601,BMG_DG158167,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F,C(c1ccc(/C(=N/OCCN)/CCCCOC)cc1)(F)(F)F,"InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+",CJOFXWAVKWHTFT-XSFVSMFZSA-N
BMGC_DG11602,BMG_DG158193,,c1ccc2c(c1)c3c4c(c5c(c3[nH]2)nc[nH]5)C(=O)NC4=O,,LBTREMHIJGMYQN-UHFFFAOYSA-N
BMGC_DG11603,BMG_DG158199,,C(/C(=C/c1cc2ccc(cc2cc1)N3CCCCC3)/C#N)(=O)OCCOCCOCCOC,,NRZNTGUFHSJBTD-HKOYGPOVSA-N
BMGC_DG11604,BMG_DG158215,,C(=C\1/c2c(C(=C1)CCCCC)cccc2)\c3c4c(ccc3)cccc4,,FPESBQVTVSBBSE-OQKWZONESA-N
BMGC_DG11605,BMG_DG158219,,COc1cccc2c(C)cc(=O)n(C)c12,,NCNFIHNRVBJRPR-UHFFFAOYSA-N
BMGC_DG11606,BMG_DG158220,CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N,Cc1ccnc(n1)NS(=O)(=O)c2ccc(cc2)N,"InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",QPPBRPIAZZHUNT-UHFFFAOYSA-N
BMGC_DG11607,BMG_DG158225,CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C(F)(F)F)C3=CN=C(S3)[C@]4(CC[C@@H](C(C4)(C)C)C(=O)O)O,[C@H]1(C(C[C@](CC1)(c2sc(cn2)-c3cc(cc(c3)Nc4nc(ccn4)C(F)(F)F)C)O)(C)C)C(=O)O,"InChI=1S/C24H25F3N4O3S/c1-13-8-14(10-15(9-13)30-21-28-7-5-18(31-21)24(25,26)27)17-11-29-20(35-17)23(34)6-4-16(19(32)33)22(2,3)12-23/h5,7-11,16,34H,4,6,12H2,1-3H3,(H,32,33)(H,28,30,31)/t16-,23-/m1/s1",LDDBKIFZPGDEND-WAIKUNEKSA-N
BMGC_DG11608,BMG_DG158227,CN1C=C(C=N1)C2=NC(=C(C3=C2C(=O)NC3)F)N[C@@H]4CCCC[C@@H]4N,C1[C@H]([C@H](CCC1)N)Nc2nc(c3c(c2F)CNC3=O)-c4cnn(c4)C,"InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1",MJHOMTRKVMKCNE-NWDGAFQWSA-N
BMGC_DG11609,BMG_DG158244,,O(CC1CCN(CC1)Cc2c(Cl)cccc2Cl)c3c4c(ccc3)nc(nc4N)N,,MNLHFGXIUJNDAF-UHFFFAOYSA-N
BMGC_DG11610,BMG_DG158253,COC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N,COc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N,"InChI=1S/C11H12N4O3S/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",GPTONYMQFTZPKC-UHFFFAOYSA-N
BMGC_DG11611,BMG_DG158284,C1CC(C1)(C2=CC=C(C=C2)N3C4=C(C=CC(=N4)C5=CC=CC=C5)N=C3C6=C(N=CC=C6)N)N,c1(c(cccn1)-c2n(c3c(ccc(n3)-c4ccccc4)n2)-c5ccc(cc5)C6(CCC6)N)N,"InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)",HNFMVVHMKGFCMB-UHFFFAOYSA-N
BMGC_DG11612,BMG_DG158288,,,,
BMGC_DG11613,BMG_DG158289,,,,
BMGC_DG11614,BMG_DG158290,CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3,c1c(c(cc2c1nc3[nH]c(=O)[nH]c(c3n2)=O)C)C,"InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)",ZJTJUVIJVLLGSP-UHFFFAOYSA-N
BMGC_DG11615,BMG_DG158292,,,,
BMGC_DG11616,BMG_DG158293,,,,
BMGC_DG11617,BMG_DG158294,,,,
BMGC_DG11618,BMG_DG158295,,,,
BMGC_DG11619,BMG_DG158296,,,,
BMGC_DG11620,BMG_DG158297,,O=C(N(c1cc(ccc1)/C=C/C(OC)=O)Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C4CCCCC4,,VLQTUNDJHLEFEQ-KGENOOAVSA-N
BMGC_DG11621,BMG_DG158298,,,,
BMGC_DG11622,BMG_DG158299,,O/N=C/1\c2c(NC1C=3C(N=c4c3cccc4)=O)cccc2,,BEWDUFPLKKFTGI-XMHGGMMESA-N
BMGC_DG11623,BMG_DG158306,,,,
BMGC_DG11624,BMG_DG158307,,,,
BMGC_DG11625,BMG_DG158308,,,,
BMGC_DG11626,BMG_DG158309,,,,
BMGC_DG11627,BMG_DG158312,,,,
BMGC_DG11628,BMG_DG158313,,,,
BMGC_DG11629,BMG_DG158314,,,,
BMGC_DG11630,BMG_DG158315,,,,
BMGC_DG11631,BMG_DG158316,,,,
BMGC_DG11632,BMG_DG158318,,,,
BMGC_DG11633,BMG_DG158319,,,,
BMGC_DG11634,BMG_DG158320,,,,
BMGC_DG11635,BMG_DG158321,,,,
BMGC_DG11636,BMG_DG158322,,,,
BMGC_DG11637,BMG_DG158323,,,,
BMGC_DG11638,BMG_DG158324,,,,
BMGC_DG11639,BMG_DG158325,,,,
BMGC_DG11640,BMG_DG158326,,,,
BMGC_DG11641,BMG_DG158327,,,,
BMGC_DG11642,BMG_DG158328,,,,
BMGC_DG11643,BMG_DG158329,,,,
BMGC_DG11644,BMG_DG158330,,,,
BMGC_DG11645,BMG_DG158333,,,,
BMGC_DG11646,BMG_DG158334,,,,
BMGC_DG11647,BMG_DG158335,,,,
BMGC_DG11648,BMG_DG158336,,,,
BMGC_DG11649,BMG_DG158337,,,,
BMGC_DG11650,BMG_DG158338,,,,
BMGC_DG11651,BMG_DG158340,,,,
BMGC_DG11652,BMG_DG158341,,,,
BMGC_DG11653,BMG_DG158342,,,,
BMGC_DG11654,BMG_DG158343,,,,
BMGC_DG11655,BMG_DG158344,,,,
BMGC_DG11656,BMG_DG158345,,,,
BMGC_DG11657,BMG_DG158346,CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C,Cc1cc(C)nc(n1)NS(=O)(=O)c2ccc(cc2)N,"InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",ASWVTGNCAZCNNR-UHFFFAOYSA-N
BMGC_DG11658,BMG_DG158349,,,,
BMGC_DG11659,BMG_DG158350,,,,
BMGC_DG11660,BMG_DG158351,,,,
BMGC_DG11661,BMG_DG158356,,,,
BMGC_DG11662,BMG_DG158357,,,,
BMGC_DG11663,BMG_DG158358,,,,
BMGC_DG11664,BMG_DG158359,,,,
BMGC_DG11665,BMG_DG158360,,,,
BMGC_DG11666,BMG_DG158364,,,,
BMGC_DG11667,BMG_DG158365,,,,
BMGC_DG11668,BMG_DG158366,,,,
BMGC_DG11669,BMG_DG158367,,,,
BMGC_DG11670,BMG_DG158368,,,,
BMGC_DG11671,BMG_DG158370,,,,
BMGC_DG11672,BMG_DG158371,,,,
BMGC_DG11673,BMG_DG158372,,,,
BMGC_DG11674,BMG_DG158373,,,,
BMGC_DG11675,BMG_DG158376,,,,
BMGC_DG11676,BMG_DG158377,,,,
BMGC_DG11677,BMG_DG158378,,,,
BMGC_DG11678,BMG_DG158379,,,,
BMGC_DG11679,BMG_DG158380,,,,
BMGC_DG11680,BMG_DG158381,,,,
BMGC_DG11681,BMG_DG158382,,,,
BMGC_DG11682,BMG_DG158383,,,,
BMGC_DG11683,BMG_DG158384,,,,
BMGC_DG11684,BMG_DG158388,CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N,n1c(NCc2ccc(cc2)F)ccc(NC(OCC)=O)c1N,"InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)",JUUFBMODXQKSTD-UHFFFAOYSA-N
BMGC_DG11685,BMG_DG158390,CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)[N+](=O)[O-])C,C1(=C(c2cn(C)c3c2cccc3)C(=O)NC1=O)c4cn(C)c5c4ccc([N+]([O-])=O)c5,"InChI=1S/C22H16N4O4/c1-24-10-15(13-5-3-4-6-17(13)24)19-20(22(28)23-21(19)27)16-11-25(2)18-9-12(26(29)30)7-8-14(16)18/h3-11H,1-2H3,(H,23,27,28)",OVSKGTONMLKNPZ-UHFFFAOYSA-N
BMGC_DG11686,BMG_DG158394,CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N,S(Nc1sc(C)nn1)(c2ccc(cc2)N)(=O)=O,"InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)",VACCAVUAMIDAGB-UHFFFAOYSA-N
BMGC_DG11687,BMG_DG158395,,Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,,IZQHULBHKPGOAP-UHFFFAOYSA-N
BMGC_DG11688,BMG_DG158396,,Nc1cc2ncnc(NCc3ccccc3)c2cn1,,JBRBEQRTMVYDCU-UHFFFAOYSA-N
BMGC_DG11689,BMG_DG158397,,,,
BMGC_DG11690,BMG_DG158398,CC(C)(C)NC(=O)NC1=C(C=C2C=NC(=NC2=N1)N)C3=CC(=CC(=C3)OC)OC,N(C(=O)NC(C)(C)C)c1c(cc2c(nc(nc2)N)n1)-c3cc(cc(c3)OC)OC,"InChI=1S/C20H24N6O3/c1-20(2,3)26-19(27)25-17-15(8-12-10-22-18(21)24-16(12)23-17)11-6-13(28-4)9-14(7-11)29-5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27)",NHJSWORVNIOXIT-UHFFFAOYSA-N
BMGC_DG11691,BMG_DG158399,CN(C1=CC(=CC=C1)Br)C2=NC=NC3=CC(=C(C=C32)OC)OC,,"InChI=1S/C17H16BrN3O2/c1-21(12-6-4-5-11(18)7-12)17-13-8-15(22-2)16(23-3)9-14(13)19-10-20-17/h4-10H,1-3H3",IPWGDOZPSOZFOD-UHFFFAOYSA-N
BMGC_DG11692,BMG_DG158400,,COc1ccc2c(c1)ncn2-c3ccccc3,,BMNCXCJXZKZJII-UHFFFAOYSA-N
BMGC_DG11693,BMG_DG158401,C1=CC(=C(C=C1O)/C=C/NC=O)O,c1(c(ccc(c1)O)O)/C=C/NC=O,"InChI=1S/C9H9NO3/c11-6-10-4-3-7-5-8(12)1-2-9(7)13/h1-6,12-13H,(H,10,11)/b4-3+",SIHZWGODIRRSRA-ONEGZZNKSA-N
BMGC_DG11694,BMG_DG158402,,Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc3cnc(Nc4ccc(N5CCOCC5)cc4)nc13,,XZEJMVDCQZRHLN-UHFFFAOYSA-N
BMGC_DG11695,BMG_DG158403,,N#C/C(=C\c1ccc(O)c(O)c1)/C(=O)c2ccc(O)c(O)c2,,CANOJKGQDCJDOX-VZUCSPMQSA-N
BMGC_DG11696,BMG_DG158404,,C(\C(=O)N)(=C/c1cc(O)c(cc1)O)/C#N,,USOXQZNJFMKTKJ-XVNBXDOJSA-N
BMGC_DG11697,BMG_DG158405,C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N,C(\C(NCc1ccccc1)=O)(=C/c2cc(O)c(cc2)O)/C#N,"InChI=1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19,22)/b14-8+",TUCIOBMMDDOEMM-RIYZIHGNSA-N
BMGC_DG11698,BMG_DG158406,C1=CC(=C(C=C1C=C(C#N)C#N)[N+](=O)[O-])O,,"InChI=1S/C10H5N3O3/c11-5-8(6-12)3-7-1-2-10(14)9(4-7)13(15)16/h1-4,14H",BQOURLGXLYRASY-UHFFFAOYSA-N
BMGC_DG11699,BMG_DG158407,C1=CC(=CC=C1/C=C(\C#N)/C(=O)O)O,,"InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+",AFVLVVWMAFSXCK-VMPITWQZSA-N
BMGC_DG11700,BMG_DG158409,CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC,c1(cc2c(cc1OCCCN3CCN(CC3)C)ncc(c2Nc4cc(c(cc4Cl)Cl)OC)C#N)OC,"InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)",UBPYILGKFZZVDX-UHFFFAOYSA-N
BMGC_DG11701,BMG_DG158411,,,,
BMGC_DG11702,BMG_DG158412,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N,S(Nc1noc(c1)C)(c2ccc(cc2)N)(=O)=O,"InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)",JLKIGFTWXXRPMT-UHFFFAOYSA-N
BMGC_DG11703,BMG_DG158413,,N(c1c2c(cc(OC)c(OC)c2)ncn1)c3cc(Cl)c(F)cc3,,VOPNWXZDJKCCRE-UHFFFAOYSA-N
BMGC_DG11704,BMG_DG158414,COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCC4CCNCC4,c12c(Nc3c(cc(cc3)Br)F)ncnc1cc(c(c2)OC)OCC4CCNCC4,"InChI=1S/C21H22BrFN4O2/c1-28-19-9-15-18(10-20(19)29-11-13-4-6-24-7-5-13)25-12-26-21(15)27-17-3-2-14(22)8-16(17)23/h2-3,8-10,12-13,24H,4-7,11H2,1H3,(H,25,26,27)",HTCPERSEGREUFC-UHFFFAOYSA-N
BMGC_DG11705,BMG_DG158415,CC1=CC(=C(N1)/C=C\2/C3=CC=CC=C3NC2=O)C,C/1(\C(Nc2c1cccc2)=O)=C\c3[nH]c(C)cc3C,"InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-",WUWDLXZGHZSWQZ-WQLSENKSSA-N
BMGC_DG11706,BMG_DG158416,CC1=C(NC(=C1CCC(=O)O)C)/C=C\2/C3=CC=CC=C3NC2=O,Cc1c(CCC(=O)O)c(C)[nH]c1/C=C\2/c3ccccc3NC2=O,"InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-",NHFDRBXTEDBWCZ-ZROIWOOFSA-N
BMGC_DG11707,BMG_DG158418,CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C,c1(c(c(C(NCCN(CC)CC)=O)c(C)[nH]1)C)/C=C/2\C(Nc3c2cc(F)cc3)=O,"InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-",WINHZLLDWRZWRT-ATVHPVEESA-N
BMGC_DG11708,BMG_DG158419,,C/1(=C/c2[nH]c(C)c(c2C)C(=O)NCCN(CC)CC)\c3c(NC1=O)ccc(Cl)c3,,XPLJEFSRINKZLC-ATVHPVEESA-N
BMGC_DG11709,BMG_DG158420,CC1=C(NC(=C1C(=O)NCCN2CCCC2)C)/C=C\3/C4=C(C=CC(=C4)F)NC3=O,c1cc2NC(/C(=C\c3[nH]c(c(c3C)C(NCCN4CCCC4)=O)C)/c2cc1F)=O,"InChI=1S/C22H25FN4O2/c1-13-19(12-17-16-11-15(23)5-6-18(16)26-21(17)28)25-14(2)20(13)22(29)24-7-10-27-8-3-4-9-27/h5-6,11-12,25H,3-4,7-10H2,1-2H3,(H,24,29)(H,26,28)/b17-12-",SRSGVKWWVXWSJT-ATVHPVEESA-N
BMGC_DG11710,BMG_DG158421,,Brc1cc\2c(cc1)NC(/C2=C\c3[nH]c4c(c3)CCCC4)=O,,RFHPWPWVGFSLOP-ZROIWOOFSA-N
BMGC_DG11711,BMG_DG158422,,c1ccc(Nc2ncc(-c3ccccc3)o2)cc1,,HFICAVMUTYFODG-UHFFFAOYSA-N
BMGC_DG11712,BMG_DG158423,,COc1ccc(cc1)-c2cnc3n(c2)ncc3-c4cscc4,,HBWLNACPIFKNIP-UHFFFAOYSA-N
BMGC_DG11713,BMG_DG158443,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4([C@@H]6[C@@H](O6)O5)O,,"InChI=1S/C17H12O8/c1-21-7-4-8-11(17(20)13-15(24-13)25-16(17)22-8)12-10(7)5-2-3-6(18)9(5)14(19)23-12/h4,13,15-16,20H,2-3H2,1H3/t13-,15-,16-,17-/m0/s1",XRWIIRKFSUFIPZ-HJWJTTGWSA-N
BMGC_DG11714,BMG_DG158444,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5[C@H]6[C@H](O6)O[C@@H]5OC4=C1,,"InChI=1S/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12-,14+,16+,17-/m1/s1",KHBXRZGALJGBPA-NQZOLGFYSA-N
BMGC_DG11715,BMG_DG158457,,C(=O)(c1c(cc(cc1F)C)F)c2c(c3c(nc2)[nH]nc3)OCCCC,,SCFMWQIQBVZOQR-UHFFFAOYSA-N
BMGC_DG11716,BMG_DG158458,,OCc1cccc(Nc2ncc(-c3ccccc3)o2)c1,,WTSNQZLKTLSHSD-UHFFFAOYSA-N
BMGC_DG11717,BMG_DG158463,[SeH2],[SeH2],InChI=1S/H2Se/h1H2,SPVXKVOXSXTJOY-UHFFFAOYSA-N
BMGC_DG11718,BMG_DG158464,COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N,S(Nc1nnc(cc1)OC)(c2ccc(cc2)N)(=O)=O,"InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)",VLYWMPOKSSWJAL-UHFFFAOYSA-N
BMGC_DG11719,BMG_DG158465,,n1cnc(c2cc(c(cc12)OCC3CCN(CC3)C)OC)Nc4c(ccc(c4)OC)Cl,,WPOXAFXHRJYEIC-UHFFFAOYSA-N
BMGC_DG11720,BMG_DG158466,,,,
BMGC_DG11721,BMG_DG158470,,O=c1n(C2CCCC2)c3nc(ncc3c(c1)C)Nc4ncc(N5CCNCC5)cc4,,HOXDMBXWILKORE-UHFFFAOYSA-N
BMGC_DG11722,BMG_DG158471,,O=c1n(C2CCCC2)c3nc(ncc3c(c1Br)C)Nc4ncc(N5CCNCC5)cc4,,DZCHDINWDGTTBZ-UHFFFAOYSA-N
BMGC_DG11723,BMG_DG158472,CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C,O=c1n(C2CCCC2)c3nc(ncc3c(c1C(=O)C)C)Nc4ncc(N5CCNCC5)cc4,"InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)",AHJRHEGDXFFMBM-UHFFFAOYSA-N
BMGC_DG11724,BMG_DG158473,,O=c1n(c2c(c(C)c1C(C)=O)cnc(Nc3ccc(cn3)N4CCN(C)CC4)n2)C5CCCC5,,PBSZUBKCQUPZFE-UHFFFAOYSA-N
BMGC_DG11725,BMG_DG158476,,COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC,,RNCVPFCGSMNPPO-UHFFFAOYSA-N
BMGC_DG11726,BMG_DG158477,,c1(nc2c(cn1)cc(c(n2C)=O)-c3c(cccc3Cl)Cl)Nc4ccc(cc4)F,,ZSHRAUSJZQDIJR-UHFFFAOYSA-N
BMGC_DG11727,BMG_DG158478,,c12c(cc(s1)C(c3cc4c(s3)cccc4)=O)cccc2,,XGEOFOPAAWHTSM-UHFFFAOYSA-N
BMGC_DG11728,BMG_DG158479,,O=C(c1cc2ccccc2[nH]1)c3cc4cc(O)ccc4[nH]3,,AALNCHNFTKRFEL-UHFFFAOYSA-N
BMGC_DG11729,BMG_DG158480,,,,
BMGC_DG11730,BMG_DG158487,,c1(ccc(cc1)Nc2nn(c(n2)N)C(c3c(cccc3F)F)=O)S(=O)(=O)N,,KDKUVYLMPJIGKA-UHFFFAOYSA-N
BMGC_DG11731,BMG_DG158488,,Brc1cc2c(cc1)c3c([nH]2)c4c(c5c([nH]4)cccc5)c6C(NC(c63)=O)=O,,NMFKDDRQSNVETB-UHFFFAOYSA-N
BMGC_DG11732,BMG_DG158489,,Nc1n(nc(n1)Nc2ccc(cc2)S(N)(=O)=O)C(=S)Nc3c(cccc3F)F,,ARIOBGGRZJITQX-UHFFFAOYSA-N
BMGC_DG11733,BMG_DG158491,CCOC1=CC(=CC(=C1)C(=O)O)C2=C(ON=C2C)C,,"InChI=1S/C14H15NO4/c1-4-18-12-6-10(5-11(7-12)14(16)17)13-8(2)15-19-9(13)3/h5-7H,4H2,1-3H3,(H,16,17)",GAMMHRRBGXCHRX-UHFFFAOYSA-N
BMGC_DG11734,BMG_DG158493,,O=C(C[C@@H](c1c(C)cccc1)NC(c2cc(n(-c3ccccc3F)n2)OC)=O)O,,RQQTYVIPHKLYFS-INIZCTEOSA-N
BMGC_DG11735,BMG_DG158495,,c1(ccc(cc1)N2C(CCC2)=O)[C@H](C(=O)Nc3n[nH]c(c3)C4CC4)C,,UAOIPNOTWOYAMU-GFCCVEGCSA-N
BMGC_DG11736,BMG_DG158496,,c1(ccc(cc1)N2C(CCC2)=O)[C@@H](C(=O)Nc3n[nH]c(c3)C4CC4)C,,UAOIPNOTWOYAMU-LBPRGKRZSA-N
BMGC_DG11737,BMG_DG158498,,,,
BMGC_DG11738,BMG_DG158500,,Cn1c(=O)n(Cc2ccccc2C#N)c3c(N4CCC[C@@H](N)C4)cc(nc31)C,,UWSKGQJKQNVRJZ-QGZVFWFLSA-N
BMGC_DG11739,BMG_DG158502,CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C(N=C2)N)C3=CN=C(C=C3)C(F)(F)F,c1(c(ncc(c1)-c2ccc(cc2)S(=O)(=O)C)N)-c3ccc(nc3)C(F)(F)F,"InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-5-2-11(3-6-14)13-8-15(17(22)24-10-13)12-4-7-16(23-9-12)18(19,20)21/h2-10H,1H3,(H2,22,24)",RTJQABCNNLMCJF-UHFFFAOYSA-N
BMGC_DG11740,BMG_DG158504,C1CC1N2CCN(C3=CC=CC=C32)C(=O)C4=C(C=CN=C4)OC5=C(C=CC(=C5)Cl)Cl,,"InChI=1S/C23H19Cl2N3O2/c24-15-5-8-18(25)22(13-15)30-21-9-10-26-14-17(21)23(29)28-12-11-27(16-6-7-16)19-3-1-2-4-20(19)28/h1-5,8-10,13-14,16H,6-7,11-12H2",GVSOSQXVSIDDOZ-UHFFFAOYSA-N
BMGC_DG11741,BMG_DG158508,,c1(c2c(nc3c1cccc3)cccc2)Nc4cccnc4,,JLRSDWPIUIYLKY-UHFFFAOYSA-N
BMGC_DG11742,BMG_DG158512,[3H]C([3H])([3H])C(CCC[C@@H](C)C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)(C([3H])([3H])[3H])O,,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24?,25+,27-/m1/s1/i3T3,4T3",JWUBBDSIWDLEOM-QSOVOEJMSA-N
BMGC_DG11743,BMG_DG158513,,N(c1c2c(nc(n1)N3CCC(F)(F)CC3)cc(OCCCN4CCCC4)c(OC)c2)C5CCN(C(C)C)CC5,,RNAMYOYQYRYFQY-UHFFFAOYSA-N
BMGC_DG11744,BMG_DG158514,,COc1cc2c(NC3CCN(CC3)C4CCCCC4)nc(nc2cc1OCCCN5CCCCC5)N6CCCN(CC6)C(C)C,,OUKWLRHRXOPODD-UHFFFAOYSA-N
BMGC_DG11745,BMG_DG158518,CC1=NC2=C(N1C3C[C@H]4CC[C@@H](C3)N4CC[C@@H](C5=CC(=CC=C5)F)NC(=O)C)CCN(C2)C(=O)C(C)C,C(C)(=O)N[C@H](c1cc(ccc1)F)CCN2[C@@H]3C[C@H](C[C@H]2CC3)n4c(nc5CN(CCc54)C(C(C)C)=O)C,"InChI=1S/C29H40FN5O2/c1-18(2)29(37)33-12-11-28-27(17-33)31-19(3)35(28)25-15-23-8-9-24(16-25)34(23)13-10-26(32-20(4)36)21-6-5-7-22(30)14-21/h5-7,14,18,23-26H,8-13,15-17H2,1-4H3,(H,32,36)/t23-,24+,25?,26-/m0/s1",QETUKYDWZIRTEI-HLMSNRGBSA-N;QETUKYDWZIRTEI-QUMGSSFMSA-N
BMGC_DG11746,BMG_DG158521,,BrCCCCCCC(c1cc(O)c2c(c1)OC([C@]3([C@]2(CC(=CC3)C)[H])[H])(C)C)(C)C,,SZDVFUZKFPGYEK-WOJBJXKFSA-N
BMGC_DG11747,BMG_DG158532,C1[C@H]2[C@H](CO[C@@H]2C3=CC(=C(C=C3)O)O)[C@@H](O1)C4=CC(=C(C=C4)O)O,,"InChI=1S/C18H18O6/c19-13-3-1-9(5-15(13)21)17-11-7-24-18(12(11)8-23-17)10-2-4-14(20)16(22)6-10/h1-6,11-12,17-22H,7-8H2/t11-,12-,17-,18+/m0/s1",OQSOTSIYXPYTRE-GNTOHDJUSA-N
BMGC_DG11748,BMG_DG158536,,Oc1c(OC)c(OC)cc2oc(C)cc(=O)c21,,PJCFJNHVNWMRPD-UHFFFAOYSA-N
BMGC_DG11749,BMG_DG158545,,n1c(c2c(c3ccc(cc13)C(=O)O)cncn2)Nc4cc(ccc4)C#C,,HJGFPNFAFSFDNN-UHFFFAOYSA-N
BMGC_DG11750,BMG_DG158546,,C[C@@]12[C@]([C@]3([C@@](c4c(CC3)cc(OC#N)cc4)(CC1)[H])[H])(CCC2=O)[H],,OIOQBNDENVAFEU-VXNCWWDNSA-N
BMGC_DG11751,BMG_DG158549,C1=CC(=CC=C1N)S(=O)(=O)N,S(c1ccc(cc1)N)(=O)(=O)N,"InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)",FDDDEECHVMSUSB-UHFFFAOYSA-N
BMGC_DG11752,BMG_DG158550,CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCCC(=O)N,C(=O)(N1[C@H](C(N[C@H](C(NCC(N)=O)=O)CCCNC(C)C)=O)CCC1)[C@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC(=O)[C@H]([C@H](CC)C)NC([C@@H](NC([C@H](CSSC2)N)=O)Cc3ccccc3)=O,"InChI=1S/C46H73N13O11S2/c1-5-26(4)38-45(69)54-30(14-9-17-35(48)60)41(65)56-32(21-36(49)61)42(66)57-33(24-72-71-23-28(47)39(63)55-31(43(67)58-38)20-27-12-7-6-8-13-27)46(70)59-19-11-16-34(59)44(68)53-29(15-10-18-51-25(2)3)40(64)52-22-37(50)62/h6-8,12-13,25-26,28-34,38,51H,5,9-11,14-24,47H2,1-4H3,(H2,48,60)(H2,49,61)(H2,50,62)(H,52,64)(H,53,68)(H,54,69)(H,55,63)(H,56,65)(H,57,66)(H,58,67)/t26-,28-,29-,30-,31-,32-,33-,34-,38-/m0/s1",JCVQBJTWWDYUFQ-MRUTUVJXSA-N
BMGC_DG11753,BMG_DG158554,,S(Nc1ccc([N+]([O-])=O)cc1)(c2ccc(NC(=O)C)cc2)(=O)=O,,GWBPFRGXNGPPMF-UHFFFAOYSA-N
BMGC_DG11754,BMG_DG158555,C1=CC=C(C=C1)N(C2=CC=CC=C2Cl)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO,n1cc(cnc1N(c2c(cccc2)Cl)c3ccccc3)C(NCCCCCCC(NO)=O)=O,"InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)",VLIUIBXPEDFJRF-UHFFFAOYSA-N
BMGC_DG11755,BMG_DG158558,C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO,c1(ncc(cn1)C(=O)NCCCCCCC(=O)NO)N(c2ccccc2)c3ccccc3,"InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)",QGZYDVAGYRLSKP-UHFFFAOYSA-N
BMGC_DG11756,BMG_DG158559,CC1=C(N=C(N=C1N2CCC(CC2)C3=NC4=C(CCCN4)C=C3)C)NC[C@@H](C(=O)O)NS(=O)(=O)C5=CC=C(C=C5)OC,c1(nc(nc(c1C)NC[C@@H](C(O)=O)NS(=O)(=O)c2ccc(cc2)OC)C)N3CCC(CC3)c4ccc5c(n4)NCCC5,"InChI=1S/C29H37N7O5S/c1-18-26(31-17-25(29(37)38)35-42(39,40)23-9-7-22(41-3)8-10-23)32-19(2)33-28(18)36-15-12-20(13-16-36)24-11-6-21-5-4-14-30-27(21)34-24/h6-11,20,25,35H,4-5,12-17H2,1-3H3,(H,30,34)(H,37,38)(H,31,32,33)/t25-/m0/s1",CXHCNOMGODVIKB-VWLOTQADSA-N
BMGC_DG11757,BMG_DG158562,,CC(c1ncc(-c2c(Sc3ncc(Cl)cc3)oc(-c4ccc(F)cc4)n2)cc1)(O)C,,DBZMCSVIITXLCC-UHFFFAOYSA-N
BMGC_DG11758,BMG_DG158570,C1=CC=C(C=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)N,S(Nc1n(ncc1)-c2ccccc2)(c3ccc(cc3)N)(=O)=O,"InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2",QWCJHSGMANYXCW-UHFFFAOYSA-N
BMGC_DG11759,BMG_DG158577,C1COC[C@@H]1OC2=CC=CC3=C2C(=NO3)OCC4CCN(CC4)CC5(CCOCC5)O,C1CC(CCO1)(O)CN2CCC(CC2)COc3noc4cccc(c34)O[C@H]5COCC5,"InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1",WLLOFQROROXOMO-GOSISDBHSA-N
BMGC_DG11760,BMG_DG158578,,C1CN(c2ccc(Nc3ncc4C(=O)N(c5c(ccc(c5)NC(c6cc(C(F)(F)F)ccc6)=O)C)CCc4n3)cc2)CCN1C,,WVGSOXRZIVSEQO-UHFFFAOYSA-N
BMGC_DG11761,BMG_DG158579,B(C1=C(C=C(C=C1)CN(C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)C5CC5)S(=O)(=O)C)F)(O)O,c1(c(cc(cc1)CN(S(=O)(=O)C)c2c(cc3c(c(oc3c2)-c4ccc(cc4)F)C(=O)NC)C5CC5)F)B(O)O,"InChI=1S/C27H25BF2N2O6S/c1-31-27(33)25-20-12-19(16-4-5-16)23(13-24(20)38-26(25)17-6-8-18(29)9-7-17)32(39(2,36)37)14-15-3-10-21(28(34)35)22(30)11-15/h3,6-13,16,34-35H,4-5,14H2,1-2H3,(H,31,33)",GDSKPIAEYNJODX-UHFFFAOYSA-N
BMGC_DG11762,BMG_DG158581,CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C(=C3CCC(=O)O)C)CCC(=O)O.[Fe],,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/p-2",RNQMHXMGXVQRMV-UHFFFAOYSA-L
BMGC_DG11763,BMG_DG158594,CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2F)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC,C(c1c(cc(c(c1)OC)Nc2nc3N(CC(C(N(c3cn2)C)=O)(F)F)C4CCCC4)F)(=O)NC5CCN(CC5)C,"InChI=1S/C27H34F3N7O3/c1-35-10-8-16(9-11-35)32-24(38)18-12-22(40-3)20(13-19(18)28)33-26-31-14-21-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(21)2/h12-14,16-17H,4-11,15H2,1-3H3,(H,32,38)(H,31,33,34)",GWRSATNRNFYMDI-UHFFFAOYSA-N
BMGC_DG11764,BMG_DG158598,CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NC2=C(C=C(C=C2)C(=O)O)OC)C3=C(C(=CC=C3)Cl)F)(C#N)C4=C(C=C(C=C4)Cl)F,C(c1cc(c(cc1)NC(=O)[C@@H]2N[C@H]([C@]([C@H]2c3c(c(ccc3)Cl)F)(C#N)c4c(cc(cc4)Cl)F)CC(C)(C)C)OC)(=O)O,"InChI=1S/C31H29Cl2F2N3O4/c1-30(2,3)14-24-31(15-36,19-10-9-17(32)13-21(19)34)25(18-6-5-7-20(33)26(18)35)27(38-24)28(39)37-22-11-8-16(29(40)41)12-23(22)42-4/h5-13,24-25,27,38H,14H2,1-4H3,(H,37,39)(H,40,41)/t24-,25-,27+,31-/m0/s1",TVTXCJFHQKSQQM-LJQIRTBHSA-N
BMGC_DG11765,BMG_DG158599,CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC(=C2C(F)(F)F)OC,c1(c2c(c(C(N(CC(=O)O)C)=S)ccc2)ccc1OC)C(F)(F)F,"InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)",LUBHDINQXIHVLS-UHFFFAOYSA-N
BMGC_DG11766,BMG_DG158602,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N,S(Nc1ncccc1)(c2ccc(cc2)N)(=O)=O,"InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)",GECHUMIMRBOMGK-UHFFFAOYSA-N
BMGC_DG11767,BMG_DG158603,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)N=C(S5)NC6CCN(CC6)C7CCCC7,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]2[C@]3([C@@](OC2)(OCC3)[H])[H])S(=O)(=O)c4cc5c(cc4)nc(NC6CCN(CC6)C7CCCC7)s5,"InChI=1S/C38H53N5O7S2/c1-25(2)22-43(23-33(44)32(20-26-8-4-3-5-9-26)41-38(45)50-34-24-49-36-30(34)16-19-48-36)52(46,47)29-12-13-31-35(21-29)51-37(40-31)39-27-14-17-42(18-15-27)28-10-6-7-11-28/h3-5,8-9,12-13,21,25,27-28,30,32-34,36,44H,6-7,10-11,14-20,22-24H2,1-2H3,(H,39,40)(H,41,45)/t30-,32-,33+,34-,36+/m0/s1",JQUNFHFWXCXPRK-AMMMHQJVSA-N
BMGC_DG11768,BMG_DG158610,,O(CCN1C(CCC1)=O)c2c3cc(cc2)/N=C/4\NC(c5cc(COC/C=C/COC3)ccc5)=CC=N4,,HWPAUBMGDYJWHS-OWOJBTEDSA-N
BMGC_DG11769,BMG_DG158613,,Oc1c2cc(cc1)/N=C/3\NC(c4cc(COC\C=C\COC2)ccc4)=CC=N3,,UVANEUUATLLBKA-OWOJBTEDSA-N
BMGC_DG11770,BMG_DG158625,C[C@@H](C(=O)OCC1=CC=CC=C1)NP(=O)(OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)F)O)OC4=CC=CC5=CC=CC=C54,C[C@H](NP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n2c([nH]c(c(c2)F)=O)=O)O)Oc3c4c(ccc3)cccc4)C(=O)OCc5ccccc5,"InChI=1S/C29H29FN3O9P/c1-18(28(36)39-16-19-8-3-2-4-9-19)32-43(38,42-24-13-7-11-20-10-5-6-12-21(20)24)40-17-25-23(34)14-26(41-25)33-15-22(30)27(35)31-29(33)37/h2-13,15,18,23,25-26,34H,14,16-17H2,1H3,(H,32,38)(H,31,35,37)/t18-,23-,25+,26+,43?/m0/s1",BIOWRMNRHMERIO-ZVAHOJSLSA-N
BMGC_DG11771,BMG_DG158627,CC1=C(C=C(C=C1Cl)S(=O)(=O)O)NC(=O)NC[C@@H](C(=O)O)N,N(C(NC[C@@H](C(O)=O)N)=O)c1cc(S(=O)(=O)O)cc(c1C)Cl,"InChI=1S/C11H14ClN3O6S/c1-5-7(12)2-6(22(19,20)21)3-9(5)15-11(18)14-4-8(13)10(16)17/h2-3,8H,4,13H2,1H3,(H,16,17)(H2,14,15,18)(H,19,20,21)/t8-/m0/s1",LHEYGVSDVBEYQF-QMMMGPOBSA-N
BMGC_DG11772,BMG_DG158644,C1=CC(=CC=C1C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])O,c1(oc([N+](=O)[O-])cc1)/C=N/NC(c2ccc(O)cc2)=O,"InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+",YCWSUKQGVSGXJO-NTUHNPAUSA-N
BMGC_DG11773,BMG_DG158645,C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N,S(Nc1nc2ccccc2nc1)(c3ccc(N)cc3)(=O)=O,"InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)",NHZLNPMOSADWGC-UHFFFAOYSA-N
BMGC_DG11774,BMG_DG158647,C1CN(CCC1N2CC(C2)(CC#N)N3C=C(C=N3)C4=C5C=CNC5=NC=N4)C(=O)C6=C(C(=NC=C6)C(F)(F)F)F,n1c(c2c([nH]cc2)nc1)-c3cn(nc3)C4(CN(C4)C5CCN(CC5)C(=O)c6c(c(ncc6)C(F)(F)F)F)CC#N,"InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)",KTBSXLIQKWEBRB-UHFFFAOYSA-N
BMGC_DG11775,BMG_DG158648,,N(CC(C)C)c1c(C(NCc2ccccc2)=O)cnc(n1)N3CCN(CC4CCCOC4)CC3,,PPANZCQXFYBGHN-UHFFFAOYSA-N
BMGC_DG11776,BMG_DG158670,,c1(c(oc2c(c1C)ccc(O)c2)=O)Cc3ccccc3,,IDFOCEQDKOOOER-UHFFFAOYSA-N
BMGC_DG11777,BMG_DG158678,C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)C3=NC=C(C=C3)NC4=CN=C(C=C4)C(F)(F)F,c1(ccc(cn1)Nc2ccc(nc2)-c3ccc(cc3)[C@H]4CC[C@@H](CC4)CC(=O)O)C(F)(F)F,"InChI=1S/C25H24F3N3O2/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33/h5-12,14-17,31H,1-4,13H2,(H,32,33)",GXALXAKNHIROPE-UHFFFAOYSA-N;GXALXAKNHIROPE-QAQDUYKDSA-N
BMGC_DG11778,BMG_DG158682,C[C@@H]1CN(C[C@@H](N1)C)CCCN2C3=CC=CC=C3C4=CC=CC=C42,n1(c2c(cccc2)c3c1cccc3)CCCN4C[C@H](N[C@H](C4)C)C,"InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+",GUDVQJXODNJRIJ-CALCHBBNSA-N
BMGC_DG11779,BMG_DG158685,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O,N(\c1ccc(O)c(C(=O)O)c1)=N/c2ccc(S(Nc3ccccn3)(=O)=O)cc2,"InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)",NCEXYHBECQHGNR-UHFFFAOYSA-N;NCEXYHBECQHGNR-QZQOTICOSA-N
BMGC_DG11780,BMG_DG158687,,NCCc1ccc(Br)cc1,,ZSZCXAOQVBEPME-UHFFFAOYSA-N
BMGC_DG11781,BMG_DG158751,C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2,S(Nc1nccs1)(c2ccc(cc2)N)(=O)=O,"InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)",JNMRHUJNCSQMMB-UHFFFAOYSA-N
BMGC_DG11782,BMG_DG158772,C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4,N1(N(C(=O)C(C1=O)CC[S+]([O-])c2ccccc2)c3ccccc3)c4ccccc4,"InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2",MBGGBVCUIVRRBF-UHFFFAOYSA-N
BMGC_DG11783,BMG_DG158793,COC1=CC2=C(C=C1)C3=C(C=C2)OC(=C3)[N+](=O)[O-],c12c3c(cc(OC)cc3)ccc1oc(c2)[N+]([O-])=O,"InChI=1S/C13H9NO4/c1-17-9-3-4-10-8(6-9)2-5-12-11(10)7-13(18-12)14(15)16/h2-7H,1H3",BRRIJZQYTOFDAF-UHFFFAOYSA-N
BMGC_DG11784,BMG_DG158810,CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)N,S(Nc1nc(C)nc(c1)C)(c2ccc(cc2)N)(=O)=O,"InChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",YZMCKZRAOLZXAZ-UHFFFAOYSA-N
BMGC_DG11785,BMG_DG158840,,C(C=C(C)C)c1c(CCc2cc(OC)cc(O)c2)ccc(OC)c1O,,NGQFSSVGVDXEOE-UHFFFAOYSA-N
BMGC_DG11786,BMG_DG158842,CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N,S(Nc1c(c(C)no1)C)(c2ccc(cc2)N)(=O)=O,"InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3",NHUHCSRWZMLRLA-UHFFFAOYSA-N
BMGC_DG11787,BMG_DG158867,C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)O)S(=O)(=O)O)O,C1(c2c(c(Br)c(c(c2Br)Br)Br)C(O1)=O)(c3cc(S(O)(=O)=O)c(O)cc3)c4cc(S(O)(=O)=O)c(cc4)O,"InChI=1S/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33)",OHTXTCNTQJFRIG-UHFFFAOYSA-N
BMGC_DG11788,BMG_DG158871,,c1c(ccc(c1)C(/C=C/c2cc(c(c(c2)OC)OC)OC)=O)F,,WXPAWDMWSJYTRJ-RUDMXATFSA-N
BMGC_DG11789,BMG_DG158875,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O,,"InChI=1S/C20H24N2O2.C12H12N2O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)",YHRUERMOPBDCFD-UHFFFAOYSA-N
BMGC_DG11790,BMG_DG158920,C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)O,C(CSc1nnc(n1-c2ccc(c3ccccc23)C4CC4)Br)(=O)O,"InChI=1S/C17H14BrN3O2S/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H,22,23)",FGQFOYHRJSUHMR-UHFFFAOYSA-N
BMGC_DG11791,BMG_DG158927,C1=CN(N=C1)C2=NC(=NC(=C2Br)N)N3C=CC=N3,c1(c(c(nc(n1)-n2cccn2)N)Br)-n3cccn3,"InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)",ATFXVNUWQOXRRU-UHFFFAOYSA-N
BMGC_DG11792,BMG_DG158933,,Cn1c2ncnc(N)c2c(-c3cc4CCN(C(Cc5cc(C(F)(F)F)ccc5)=O)c4cc3)c1,,SIXVRXARNAVBTC-UHFFFAOYSA-N
BMGC_DG11793,BMG_DG158949,,C(Oc1cc(Cl)ccc1)c2c3c(n(n2)C4CCOCC4)ncnc3N,,AUMDBEHGJRZSOO-UHFFFAOYSA-N
BMGC_DG11794,BMG_DG158951,CC1=CC(=CC2=C1NN=C2)C[C@H](C(=O)N3CCN(CC3)C4CCN(CC4)C)NC(=O)N5CCC(CC5)C6=CC7=CC=CC=C7NC6=O,N1(CCC(CC1)c2c([nH]c3ccccc3c2)=O)C(=O)N[C@@H](C(=O)N4CCN(CC4)C5CCN(CC5)C)Cc6cc7cn[nH]c7c(c6)C,"InChI=1S/C36H46N8O3/c1-24-19-25(20-28-23-37-40-33(24)28)21-32(35(46)43-17-15-42(16-18-43)29-9-11-41(2)12-10-29)39-36(47)44-13-7-26(8-14-44)30-22-27-5-3-4-6-31(27)38-34(30)45/h3-6,19-20,22-23,26,29,32H,7-18,21H2,1-2H3,(H,37,40)(H,38,45)(H,39,47)/t32-/m1/s1",JJVAPHYEOZSKJZ-JGCGQSQUSA-N
BMGC_DG11795,BMG_DG158956,CC(C)(C)C[C@H]1[C@@]2([C@H]([C@@H](N1)C(=O)NC3CCC(CC3)O)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC2=O,c1c(cc2c(c1)[C@]3([C@@H](N[C@H]([C@@H]3c4c(c(ccc4)Cl)F)C(N[C@@H]5CC[C@H](CC5)O)=O)CC(C)(C)C)C(N2)=O)Cl,"InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16?,17?,22-,23-,25+,29+/m0/s1",IDKAKZRYYDCJDU-AEPXTFJPSA-N;IDKAKZRYYDCJDU-HBMMIIHUSA-N
BMGC_DG11796,BMG_DG158957,CS(=O)(=O)C1=CC(=C(C=C1)N2C=C(C(=CC2=O)OC3CCN(CC3)C4=NC=C(C=N4)Cl)Cl)F,O=c1cc(OC2CCN(c3ncc(Cl)cn3)CC2)c(Cl)cn1-c4ccc(S(C)(=O)=O)cc4F,"InChI=1S/C21H19Cl2FN4O4S/c1-33(30,31)15-2-3-18(17(24)8-15)28-12-16(23)19(9-20(28)29)32-14-4-6-27(7-5-14)21-25-10-13(22)11-26-21/h2-3,8-12,14H,4-7H2,1H3",OGIAVRWXUPYGGC-UHFFFAOYSA-N
BMGC_DG11797,BMG_DG159004,,,,
BMGC_DG11798,BMG_DG161768,CC1=C(C2=C(CC[C@@](O2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC(=O)O)C(=C1O)C)C,,"InChI=1S/C26H38O4/c1-17(9-7-10-18(2)12-13-23(27)28)11-8-15-26(6)16-14-22-21(5)24(29)19(3)20(4)25(22)30-26/h10-11,29H,7-9,12-16H2,1-6H3,(H,27,28)/b17-11+,18-10+/t26-/m1/s1",LAVCYAUSHCEKED-KYVGBUAPSA-N
BMGC_DG11799,BMG_DG161780,CC1=C(C=C2CC[C@@](OC2=C1C)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C(=O)O)O,,"InChI=1S/C28H40O4/c1-19(12-8-14-21(3)27(30)31)10-7-11-20(2)13-9-16-28(6)17-15-24-18-25(29)22(4)23(5)26(24)32-28/h10,13-14,18,29H,7-9,11-12,15-17H2,1-6H3,(H,30,31)/b19-10+,20-13+,21-14+/t28-/m1/s1",UJMZKOBSLDXUHY-YQHRJHOASA-N
BMGC_DG11800,BMG_DG162075,CCCC[C@@]1(CS(=O)(=O)C2=C(C=C(C(=C2)CNC(CC(=O)O)CC(=O)O)OC)[C@H](N1)C3=CC=CC=C3)CC,c1(cc2c(cc1OC)[C@H](N[C@@](CS2(=O)=O)(CCCC)CC)c3ccccc3)CNC(CC(O)=O)CC(=O)O,"InChI=1S/C28H38N2O7S/c1-4-6-12-28(5-2)18-38(35,36)24-13-20(17-29-21(14-25(31)32)15-26(33)34)23(37-3)16-22(24)27(30-28)19-10-8-7-9-11-19/h7-11,13,16,21,27,29-30H,4-6,12,14-15,17-18H2,1-3H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1",CZGVOBIGEBDYTP-VSGBNLITSA-N
BMGC_DG11801,BMG_DG162078,,CNc1ccc(-c2cn3c4ccc(OCC[18F])cc4sc3n2)cc1,,WWPSVHYBUBUUFS-AWDFDDCISA-N
BMGC_DG11802,BMG_DG162082,,N(c1c2c(c(C)cc(S(=O)(=O)c3cc(C(Nc4ccc(C#CCCCNC[C@H](O)c5c6c(c(O)cc5)[nH]c(=O)cc6)cc4)=O)ccc3)c2)ncc1C(N)=O)c7cc(OC)ccc7,,HJBZAZITZDSWKD-RWYGWLOXSA-N
BMGC_DG11803,BMG_DG162084,COC1=CC=CC(=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC4=C(CN(CC4)C(=O)OC5=CC=CC=C5)C=C3,c1c(ccc(c1)-c2c(cccc2OC)C(Nc3ccc4c(c3)CCN(C4)C(Oc5ccccc5)=O)=O)C(F)(F)F,"InChI=1S/C31H25F3N2O4/c1-39-27-9-5-8-26(28(27)20-10-13-23(14-11-20)31(32,33)34)29(37)35-24-15-12-22-19-36(17-16-21(22)18-24)30(38)40-25-6-3-2-4-7-25/h2-15,18H,16-17,19H2,1H3,(H,35,37)",AZUIUVJESCFSLJ-UHFFFAOYSA-N
BMGC_DG11804,BMG_DG162086,C1CC1(C(=O)O)N,C1(CC1)(N)C(O)=O,"InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)",PAJPWUMXBYXFCZ-UHFFFAOYSA-N
BMGC_DG11805,BMG_DG162087,CS(=O)CCCCN=C=S,C[S+](CCCCN=C=S)[O-],"InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3",SUVMJBTUFCVSAD-UHFFFAOYSA-N
BMGC_DG11806,BMG_DG162088,B(C1=CC=C(C=C1)CC(C(=O)O)N)(O)O,B(c1ccc(CC(C(=O)O)N)cc1)(O)O,"InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)",NFIVJOSXJDORSP-UHFFFAOYSA-N
BMGC_DG11807,BMG_DG162090,C1=CC(=CC=C1NCS(=O)O)S(=O)(=O)C2=CC=C(C=C2)NCS(=O)O,S(c1ccc(NCS(=O)O)cc1)(c2ccc(NCS(=O)O)cc2)(=O)=O,"InChI=1S/C14H16N2O6S3/c17-23(18)9-15-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)16-10-24(19)20/h1-8,15-16H,9-10H2,(H,17,18)(H,19,20)",NEDPPCHNEOMTJV-UHFFFAOYSA-N
BMGC_DG11808,BMG_DG162095,C/C(=N\N=C(N)N)/C=N/N=C(N)N,C(=N/NC(=N)N)\C(=N\NC(N)=N)\C,"InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+",MXWHMTNPTTVWDM-NXOFHUPFSA-N
BMGC_DG11809,BMG_DG162096,,,,
BMGC_DG11810,BMG_DG162100,CN1C(=O)C2=C(NC1=O)N=NC=N2,n1c(n(C)c(c2-c1[nH]ncn2)=O)=O,"InChI=1S/C6H5N5O2/c1-11-5(12)3-4(9-6(11)13)10-8-2-7-3/h2H,1H3,(H,9,10,13)",ZLLAXLPOOMLVRF-UHFFFAOYSA-N
BMGC_DG11811,BMG_DG162101,,c12nc3c(cc(c(c3nc1c(ccc2C(=O)OC)O)C=O)O)O,,CRANETCJDDEINO-UHFFFAOYSA-N
BMGC_DG11812,BMG_DG162102,,c12c(cc(oc1cc(cc2O)O)-c3cc(OC)c(cc3)OC)=O,,AOLOMULCAJQEIG-UHFFFAOYSA-N
BMGC_DG11813,BMG_DG162109,C1NC(=NC1)N/N=C/C2=C3C(=C(C4=CC=CC=C24)/C=N/NC5=NCCN5)C=CC=C3,c1(c2c(cccc2)c(c3c1cccc3)\C=N\NC4=NCCN4)\C=N\NC5=NCCN5,"InChI=1S/C22H22N8/c1-2-6-16-15(5-1)19(13-27-29-21-23-9-10-24-21)17-7-3-4-8-18(17)20(16)14-28-30-22-25-11-12-26-22/h1-8,13-14H,9-12H2,(H2,23,24,29)(H2,25,26,30)/b27-13+,28-14+",NJSMWLQOCQIOPE-OCHFTUDZSA-N
BMGC_DG11814,BMG_DG162110,COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)O,O(c1c(OC)cc(/C=C\c2ccc(OC)c(O)c2)cc1OC)C,"InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-",HVXBOLULGPECHP-WAYWQWQTSA-N
BMGC_DG11815,BMG_DG162111,,,,
BMGC_DG11816,BMG_DG162112,COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)OP(=O)(O)O,P(Oc1c(ccc(/C=C\c2cc(OC)c(c(c2)OC)OC)c1)OC)(O)(O)=O,"InChI=1S/C18H21O8P/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11H,1-4H3,(H2,19,20,21)/b6-5-",WDOGQTQEKVLZIJ-WAYWQWQTSA-N
BMGC_DG11817,BMG_DG162143,,C(/C=C/c1cc(ccc1)[Sb](O)(O)=O)(=O)O,,ZTQRMGDLUGQTTF-MNPOOLNOSA-L
BMGC_DG11818,BMG_DG162152,CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O,,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3",DCYOADKBABEMIQ-UHFFFAOYSA-N
BMGC_DG11819,BMG_DG162153,COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC,c1(c(c2c(cc(cc2oc1-c3ccc(cc3)OC)O)O)=O)OC,"InChI=1S/C17H14O6/c1-21-11-5-3-9(4-6-11)16-17(22-2)15(20)14-12(19)7-10(18)8-13(14)23-16/h3-8,18-19H,1-2H3",RJCJVIFSIXKSAH-UHFFFAOYSA-N
BMGC_DG11820,BMG_DG162154,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC,c1(c(oc2c(c1=O)c(cc(OC)c2)O)-c3cc(OC)c(cc3)OC)OC,"InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3",HHGPYJLEJGNWJA-UHFFFAOYSA-N
BMGC_DG11821,BMG_DG162160,C[C@@H]1CC([C@@]23C[C@@H]([C@@H]([C@H](O2)[C@@H](C)CC[C@@H](C4=CC(=CC=C4)O)OC)C)OC(=O)C[C@@H](OC(=O)C[C@@]1(O3)O)[C@@H](C)O)(C)C,,"InChI=1S/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18-,19+,20-,21+,24-,25+,26-,29+,31-,32-/m0/s1",REAZZDPREXHWNV-HJUJCDCNSA-N
BMGC_DG11822,BMG_DG162162,C/C=C\1/C(=O)N[C@H](C(=O)O[C@H]\2CC(=O)N[C@@H](C(=O)N[C@H](CSSCC/C=C2)C(=O)N1)C(C)C)C(C)C,C1(=O)[C@H](NC(=O)C[C@]2(/C=C/CCSSC[C@](C(=O)N/C(/C(N[C@H](C(O2)=O)C(C)C)=O)=C\C)(N1)[H])[H])C(C)C,"InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1",OHRURASPPZQGQM-GCCNXGTGSA-N
BMGC_DG11823,BMG_DG162168,C1CC(C1)(C(=O)O)C(=O)O.N.N.[Pt+2],,"InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+2",OLESAACUTLOWQZ-UHFFFAOYSA-N
BMGC_DG11824,BMG_DG162196,C1=CC2=C(C=C1Cl)C3=C(O2)C=C(C=C3Cl)Cl,c12c(Cl)cc(Cl)cc1oc3ccc(Cl)cc32,InChI=1S/C12H5Cl3O/c13-6-1-2-10-8(3-6)12-9(15)4-7(14)5-11(12)16-10/h1-5H,PHFSTDOPTZHECA-UHFFFAOYSA-N
BMGC_DG11825,BMG_DG162198,[Pb],[Pb];[Pb+4],InChI=1S/Pb,WABPQHHGFIMREM-UHFFFAOYSA-N;TYDJWWAXVOMTQR-UHFFFAOYSA-N
BMGC_DG11826,BMG_DG162223,,C1C(C)N(C)/C(=C/C)/C1(c2ccccc2)c3ccccc3,,AJRJPORIQGYFMT-RMOCHZDMSA-N
BMGC_DG11827,BMG_DG162224,CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)SC)C=CC(=C2)F)CC(=O)O,C/1(\C(=C(c2cc(ccc12)F)CC(=O)O)C)=C/c3ccc(cc3)SC,"InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-",LFWHFZJPXXOYNR-MFOYZWKCSA-N
BMGC_DG11828,BMG_DG162280,COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=CC=N3,c1ccc2c(n1)nc(-c3c(cc(cc3)[S+](C)[O-])OC)[nH]2,"InChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)",XMFCOYRWYYXZMY-UHFFFAOYSA-N
BMGC_DG11829,BMG_DG162294,,,,
BMGC_DG11830,BMG_DG162295,,,,
BMGC_DG11831,BMG_DG162296,,,,
BMGC_DG11832,BMG_DG162297,,,,
BMGC_DG11833,BMG_DG162298,,,,
BMGC_DG11834,BMG_DG162301,C1=CC=C(C=C1)C2=CC(=O)C3=CC(=C(C=C3O2)O)O,O=c1cc(-c2ccccc2)oc3cc(O)c(O)cc13,"InChI=1S/C15H10O4/c16-11-7-14(9-4-2-1-3-5-9)19-15-8-13(18)12(17)6-10(11)15/h1-8,17-18H",GSAOUZGPXSGVRS-UHFFFAOYSA-N
BMGC_DG11835,BMG_DG162303,CCCCCCCC/C=C/CCCCCCCC(=O)N,C(CCCCCCC/C=C/CCCCCCCC)(=O)N,"InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9+",FATBGEAMYMYZAF-MDZDMXLPSA-N
BMGC_DG11836,BMG_DG162304,,N(C(/C=C/c1ccc(CCCCC)cc1)=O)c2c(C(O)=O)cccc2,,GAMRBCZMOOMBSQ-CCEZHUSRSA-N
BMGC_DG11837,BMG_DG162309,CC\1=C(/C(=C/C2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/N/C1=C/C4=NC(=O)C(=C4C)C=C)CCC(=O)O,,"InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13+,27-14-,28-15-",RCNSAJSGRJSBKK-YKSNQIBWSA-N
BMGC_DG11838,BMG_DG162313,C1=CC(=CC(=C1)C(=O)NO)/C=C/C(=O)NO,,"InChI=1S/C10H10N2O4/c13-9(11-15)5-4-7-2-1-3-8(6-7)10(14)12-16/h1-6,15-16H,(H,11,13)(H,12,14)/b5-4+",OYKBQNOPCSXWBL-SNAWJCMRSA-N
BMGC_DG11839,BMG_DG162321,C1=C(C(=CC2=C1N=C(C(=N2)[O])[O])[N+](=O)[O-])C#N,,InChI=1S/C9H2N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,IAWXTSMHXFRLQR-UHFFFAOYSA-N
BMGC_DG11840,BMG_DG162328,,CN(C)c1ccc(cc1)/C=C/2\c3c(NC2=O)cccc3,,UAKWLVYMKBWHMX-RVDMUPIBSA-N
BMGC_DG11841,BMG_DG162330,COC(=O)CCC=C=CCC1C(C(CC1=O)O)/C=C/C(COC2=CC=CC=C2)O,,"InChI=1S/C23H28O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-20,22,24,26H,8,11-12,15-16H2,1H3/b14-13+",PTOJVMZPWPAXER-BUHFOSPRSA-N
BMGC_DG11842,BMG_DG162331,COC(=O)/C=C/C1=C(C=CC(=C1)O)O,c1c(O)cc(c(O)c1)/C=C/C(OC)=O,"InChI=1S/C10H10O4/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6,11-12H,1H3/b5-2+",BQCNSTFWSKOWMA-GORDUTHDSA-N
BMGC_DG11843,BMG_DG162335,C1=C(N=C(S1)N=C(N)N)CSCC/C(=N\S(=O)(=O)N)/N,,"InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)",XUFQPHANEAPEMJ-UHFFFAOYSA-N
BMGC_DG11844,BMG_DG162343,CCCCCC(/C=C/C=C/C=C/C=C/C(C(CCCC(=O)O)O)O)O,,"InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4+,7-5+,13-9+,14-10+",IXAQOQZEOGMIQS-CRSXNMAESA-N
BMGC_DG11845,BMG_DG162348,,C(/C=C/c1ccc(cc1)NS(=O)(=O)c2cc(c(cc2)OC)OC)(=O)NO,,MWBVVOSAOJSWLG-BJMVGYQFSA-N
BMGC_DG11846,BMG_DG162349,CC1C(C2(C3C4C1(C5C=C(C(=O)C5(C(C6(C4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C)OC(=O)/C=C/C=C/C8=CC=CC=C8,,"InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3/b15-11+,18-12+",DLEDLHFNQDHEOJ-KFGDLTOCSA-N
BMGC_DG11847,BMG_DG162350,CCO/C(=N/C1=C[N+](=NO1)N2CCOCC2)/[O-],[n+]1(noc(c1)[N-]C(=O)OCC)N2CCOCC2,"InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3",XLFWDASMENKTKL-UHFFFAOYSA-N
BMGC_DG11848,BMG_DG162360,C1=CC(=C(C=C1Cl)Cl)CO/N=C(\CN2C=CN=C2)/C3=C(C=C(C=C3)Cl)Cl,C(\c1c(cc(cc1)Cl)Cl)(/Cn2cncc2)=N/OCc3c(cc(cc3)Cl)Cl,"InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+",QRJJEGAJXVEBNE-HKOYGPOVSA-N
BMGC_DG11849,BMG_DG162365,,,,
BMGC_DG11850,BMG_DG162368,,c1c(c(c2c(o1)c(c(cc2O)O)OC)=O)-c3ccc(cc3)O,,UYLQOGTYNFVQQX-UHFFFAOYSA-N
BMGC_DG11851,BMG_DG162370,,c1(ccc2c(c1)\C(\C(N2)=O)=C/c3cc(c(c(c3)Br)O)Br)I,,LMXYVLFTZRPNRV-XCVCLJGOSA-N
BMGC_DG11852,BMG_DG162379,CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)O,,"InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3",BFCDFTHTSVTWOG-UHFFFAOYSA-N
BMGC_DG11853,BMG_DG162380,COC1=CC(=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)OC)OC,,"InChI=1S/C18H20O4/c1-19-15-8-7-14(18(12-15)22-4)6-5-13-9-16(20-2)11-17(10-13)21-3/h5-12H,1-4H3/b6-5+",JDBCWSHYEQUBLW-AATRIKPKSA-N
BMGC_DG11854,BMG_DG162405,,O(c1c(O)ccc(c1)/C=C/C(=O)C)C,,AFWKBSMFXWNGRE-ONEGZZNKSA-N
BMGC_DG11855,BMG_DG162412,,c12c(c(cc(c1)O)O)c(cc(o2)=O)C,,QNVWGEJMXOQQPM-UHFFFAOYSA-N
BMGC_DG11856,BMG_DG162437,,C(\CCCCCCCC)=C\CCCCCCCC(Nc1ccccc1)=O,,YPUOCYKJOLQYQS-KTKRTIGZSA-N
BMGC_DG11857,BMG_DG162459,,c12-c(nc([nH]1)=S)nc[nH]c2N,,BHVOFCPOXNYVCE-UHFFFAOYSA-N
BMGC_DG11858,BMG_DG162464,CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC,S(c1cc(C(NCC2N(CCC2)CC)=O)c(cc1)OC)(=O)(=O)N,"InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)",BGRJTUBHPOOWDU-UHFFFAOYSA-N
BMGC_DG11859,BMG_DG162471,C1=NC(=C2C(=N1)NC(=O)N2)N,,"InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)",RGKBRPAAQSHTED-UHFFFAOYSA-N
BMGC_DG11860,BMG_DG162473,,O=c1c(Cl)c(C)c2ccc(O)cc2o1,,ODZHLDRQCZXQFQ-UHFFFAOYSA-N
BMGC_DG11861,BMG_DG162475,CCCCC(CC)COC(=O)/C=C/C1=CC=C(C=C1)OC,C(\c1ccc(cc1)OC)=C/C(=O)OCC(CC)CCCC,"InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+",YBGZDTIWKVFICR-JLHYYAGUSA-N
BMGC_DG11862,BMG_DG162491,COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O,c1c(cc(c(c1O)C(/C=C/c2ccc(cc2)OC)=O)OC)OC,"InChI=1S/C18H18O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3/b9-6+",CGIBCVBDFUTMPT-RMKNXTFCSA-N
BMGC_DG11863,BMG_DG162492,CC1=C(C2=CC=CC=C2N1CCC(=O)O)CN3C=CN=C3,c1(c(n(CCC(=O)O)c2c1cccc2)C)Cn3cncc3,"InChI=1S/C16H17N3O2/c1-12-14(10-18-9-7-17-11-18)13-4-2-3-5-15(13)19(12)8-6-16(20)21/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,21)",DEQLGSOHGTZKFB-UHFFFAOYSA-N
BMGC_DG11864,BMG_DG162493,,c1(/C=C/C(NO)=O)ccccc1,,UVDDFTZLVFIQFL-VOTSOKGWSA-N
BMGC_DG11865,BMG_DG162498,,c12c(c(c(O)cc1)O)oc(=O)cc2C,,NWQBYMPNIJXFNQ-UHFFFAOYSA-N
BMGC_DG11866,BMG_DG162509,C1CCS(=O)(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N,S1(N(c2ccc(S(=O)(=O)N)cc2)CCCC1)(=O)=O,"InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)",HMHVCUVYZFYAJI-UHFFFAOYSA-N
BMGC_DG11867,BMG_DG162557,CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC,c1(c(ccc(c1)S(CC)(=O)=O)OC)C(NCC2N(CCC2)CC)=O,"InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)",UNRHXEPDKXPRTM-UHFFFAOYSA-N
BMGC_DG11868,BMG_DG162588,,O=c1oc2cc(O)ccc2c(-c3ccccc3)c1,,IVJMJRRORVMRJJ-UHFFFAOYSA-N
BMGC_DG11869,BMG_DG162590,,c1(c(cc(cc1)OC)O)C(/C=C/c2ccc(cc2)OC)=O,,OAAPAFSEMHJNTF-BJMVGYQFSA-N
BMGC_DG11870,BMG_DG162605,CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C,S(=O)(=O)(Cc1cc2c(c[nH]c2cc1)CCN(C)C)NC,"InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3",KQKPFRSPSRPDEB-UHFFFAOYSA-N
BMGC_DG11871,BMG_DG162618,C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O,,"InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2",AEDDIBAIWPIIBD-UHFFFAOYSA-N
BMGC_DG11872,BMG_DG162624,,CN1C(=O)N(C)C(=O)C(=Cc2ccc(O)cc2)C1=O,,VLSZBBLFPBINKZ-UHFFFAOYSA-N
BMGC_DG11873,BMG_DG162631,CCOC(=O)/C=C/C(=O)O,C(/C=C/C(=O)OCC)(O)=O,"InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3+",XLYMOEINVGRTEX-ONEGZZNKSA-N
BMGC_DG11874,BMG_DG162636,CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O,c1(C(c2ccc(C(C(=O)O)C)cc2)=O)sccc1,"InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)",MDKGKXOCJGEUJW-UHFFFAOYSA-N
BMGC_DG11875,BMG_DG162646,CN(CC(=O)O)/C(=N\P(=O)(O)O)/N,,"InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)",DRBBFCLWYRJSJZ-UHFFFAOYSA-N
BMGC_DG11876,BMG_DG162647,[Al],[Al],InChI=1S/Al,XAGFODPZIPBFFR-UHFFFAOYSA-N
BMGC_DG11877,BMG_DG162648,CCOC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1,[C@@]123c4c5c(OCC)ccc4C[C@]([C@@]1(C=C[C@@H]([C@@]2(O5)[H])O)[H])(N(CC3)C)[H],"InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1",OGDVEMNWJVYAJL-LEPYJNQMSA-N
BMGC_DG11878,BMG_DG162649,CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O,[C@@]123c4c(ccc(c4)O)C[C@H]([C@@]1(CCCC2)[H])N(CC3)C;[C@@]123c4c(ccc(c4)O)C[C@]([C@@]1(CCCC2)[H])(N(CC3)C)[H],"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1",JAQUASYNZVUNQP-USXIJHARSA-N
BMGC_DG11879,BMG_DG162650,C1=NC2=C(N1)C(=NC=N2)Cl,c12c([nH]cn1)ncnc2Cl,"InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)",ZKBQDFAWXLTYKS-UHFFFAOYSA-N
BMGC_DG11880,BMG_DG162656,[Bi],[Bi],InChI=1S/Bi,JCXGWMGPZLAOME-UHFFFAOYSA-N
BMGC_DG11881,BMG_DG162657,C=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O,[C@@]123c4c(ccc(c4)O)C[C@H]([C@@]1(CCCC2)[H])N(CC3)CC=C,"InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1",OZYUPQUCAUTOBP-QXAKKESOSA-N
BMGC_DG11882,BMG_DG162662,,C/1(=C/2\C(=O)c3ccccc3N2)\c4c(cccc4)NC1=O,,CRDNMYFJWFXOCH-YPKPFQOOSA-N
BMGC_DG11883,BMG_DG162664,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](CC4)O,Oc1c2O[C@]3([C@H](CC[C@]4([C@H]5Cc(c2[C@]43CCN5C)cc1)[H])O)[H],"InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1",IJVCSMSMFSCRME-KBQPJGBKSA-N
BMGC_DG11884,BMG_DG162669,,,,
BMGC_DG11885,BMG_DG162671,CC1=CC(=CC2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O,c1c(cc2c(c1C)c3c(c(o2)=O)c(cc(c3)O)O)O,"InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3",CEBXXEKPIIDJHL-UHFFFAOYSA-N
BMGC_DG11886,BMG_DG162677,[As],[As],InChI=1S/As,RQNWIZPPADIBDY-UHFFFAOYSA-N
BMGC_DG11887,BMG_DG162678,[O-][O],,InChI=1S/HO2/c1-2/h1H/p-1,OUUQCZGPVNCOIJ-UHFFFAOYSA-M
BMGC_DG11888,BMG_DG162687,,[C@@]123c4cc(O)ccc4C[C@H]([C@@]1(CCCC2)[H])N(CC3)CC5CC5,,NLBUEDSBXVNAPB-DFQSSKMNSA-N
BMGC_DG11889,BMG_DG162691,,[O-][N+](=O)c1ccc(cc1)C(=O)Cn2ccnc2,,SBPGWXSTCFNGPY-UHFFFAOYSA-N
BMGC_DG11890,BMG_DG162698,[Mg+2].[Cl-].[Cl-],[Mg+2].[Cl-].[Cl-],InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2,TWRXJAOTZQYOKJ-UHFFFAOYSA-L
BMGC_DG11891,BMG_DG162700,C1=NC2=C(N1)C(=NC(=N2)N)Cl,c12c(c(nc(n1)N)Cl)[nH]cn2,"InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)",RYYIULNRIVUMTQ-UHFFFAOYSA-N
BMGC_DG11892,BMG_DG162704,CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O,,"InChI=1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29?,30?,34-,35-,36-,37?,38?,39?,40?,41-,42?,43?,53?,54?/m0/s1",OYVAGSVQBOHSSS-WXFSZRTFSA-O
BMGC_DG11893,BMG_DG162713,C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O,[C@]123[C@@]4([C@H](N(CC1)CC5CC5)Cc6c2c(c(O)cc6)O[C@]3(C(CC4)=O)[H])O,"InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1",DQCKKXVULJGBQN-XFWGSAIBSA-N
BMGC_DG11894,BMG_DG162723,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O,[C@@]123c4c5c(O)ccc4C[C@H]([C@@]1(C=C[C@@H]([C@@]2(O5)[H])O[C@@]6(O[C@H](C(=O)O)[C@H]([C@@H]([C@H]6O)O)O)[H])[H])N(CC3)C,"InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17+,19-,20-,22+,23-/m0/s1",GNJCUHZOSOYIEC-GAROZEBRSA-N
BMGC_DG11895,BMG_DG162726,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC,[C@]123c4c(ccc(c4)OC)C[C@@H]([C@]1(CCCC2)[H])N(CC3)C,"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1",MKXZASYAUGDDCJ-NJAFHUGGSA-N
BMGC_DG11896,BMG_DG162727,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)O,[C@]123[C@@]([C@H](Cc4c1cc(O)cc4)N(C)CC2)(CCCC3)[H],"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1",JAQUASYNZVUNQP-PVAVHDDUSA-N
BMGC_DG11897,BMG_DG162729,CC1=CC(=CC2=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O,o1c2c(c(cc(c2)O)C)c3c(c(cc(c3)OC)O)c1=O,"InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3",LCSDQFNUYFTXMT-UHFFFAOYSA-N
BMGC_DG11898,BMG_DG162735,CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCC3=C(C(=C(C=C3)C)O)C(=O)O)O,O1[C@]([C@H](C([C@H]([C@H]([C@@H](CCc2c(c(O)c(cc2)C)C(=O)O)C)O)C)=O)CC)([C@@H](C)C[C@]1([C@@]3(O[C@@H](C)[C@@](CC3)(O)CC)[H])CC)[H],"InChI=1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+/m1/s1",BBMULGJBVDDDNI-OWKLGTHSSA-N
BMGC_DG11899,BMG_DG162742,CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C,S(c1c2c(c(S(=O)(=O)O)ccc2NC(c3cc(NC(c4cc(NC(Nc5cc(C(Nc6cc(C(Nc7c8c(S(=O)(=O)O)cc(S(=O)(=O)O)cc8c(S(=O)(=O)O)cc7)=O)ccc6C)=O)ccc5)=O)ccc4)=O)c(cc3)C)=O)cc(S(=O)(=O)O)c1)(=O)(=O)O,"InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)",FIAFUQMPZJWCLV-UHFFFAOYSA-N
BMGC_DG11900,BMG_DG162746,C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O,[C@]123[C@@]([C@H](N(CC1)CC4CCC4)Cc5c2cc(cc5)O)(O)CCCC3,"InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1",IFKLAQQSCNILHL-QHAWAJNXSA-N
BMGC_DG11901,BMG_DG162749,CO/N=C(\C1=CC=CO1)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O,C(O)(=O)C=1N2[C@@]([C@@H](C2=O)NC(/C(=N/OC)/c3ccco3)=O)(SCC1COC(N)=O)[H],"InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9+/t10-,14-/m1/s1",JFPVXVDWJQMJEE-SWWZKJRFSA-N
BMGC_DG11902,BMG_DG162755,,,,
BMGC_DG11903,BMG_DG162766,CC1=C(SC(=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O)CC(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)CSc3nc(C)c(s3)CC(=O)O)[H])NC(/C(/c4nc(N)sc4)=N\OC)=O,"InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1",XDZKBRJLTGRPSS-BGZQYGJUSA-N
BMGC_DG11904,BMG_DG162773,C[N+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-],,"InChI=1S/C21H25NO4.BrH/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13;/h4-5,12,16,19,25H,2-3,6-11H2,1H3;1H/t16-,19+,20+,21-,22?;/m1./s1",IFGIYSGOEZJNBE-KNLJMPJLSA-N
BMGC_DG11905,BMG_DG162774,C[N+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6,,"InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22?/m1/s1",JVLBPIPGETUEET-GAAHOAFPSA-O
BMGC_DG11906,BMG_DG162779,CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O,C1(=O)N(c2ccccc2)N(C(=O)C1(CCCC)COC(=O)CCC(O)=O)c3ccccc3,"InChI=1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)",ONWXNHPOAGOMTG-UHFFFAOYSA-N
BMGC_DG11907,BMG_DG162781,CC(C)(C(=O)O)O/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-].O.O.O.O.O,,"InChI=1S/C22H22N6O7S2.5H2O/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27;;;;;/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34);5*1H2/b26-13+;;;;;/t14-,18-;;;;;/m1...../s1",NMVPEQXCMGEDNH-NLYPMKEPSA-N
BMGC_DG11908,BMG_DG162782,C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)O,N12[C@@](SCC(=C1C(=O)O)C=C)([H])[C@H](NC(\C(\c3nc(N)sc3)=N/OCC(=O)O)=O)C2=O,"InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1",OKBVVJOGVLARMR-QSWIMTSFSA-N
BMGC_DG11909,BMG_DG162786,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2,C1(N(C([C@@H](N[C@@H](CCc2ccccc2)C(OCC)=O)C)=O)CC(O)=O)Cc3ccccc3C1,"InChI=1S/C26H32N2O5/c1-3-33-26(32)23(14-13-19-9-5-4-6-10-19)27-18(2)25(31)28(17-24(29)30)22-15-20-11-7-8-12-21(20)16-22/h4-12,18,22-23,27H,3,13-17H2,1-2H3,(H,29,30)/t18-,23-/m0/s1",WOUOLAUOZXOLJQ-MBSDFSHPSA-N
BMGC_DG11910,BMG_DG162787,C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)O)C(=O)O.O.O,N1(C([C@@H](N[C@H](C(=O)O)CCc2ccccc2)CCCCN)=O)[C@H](C(=O)O)CCC1.O.O,"InChI=1S/C21H31N3O5.2H2O/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15;;/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29);2*1H2/t16-,17-,18-;;/m0../s1",CZRQXSDBMCMPNJ-ZUIPZQNBSA-N
BMGC_DG11911,BMG_DG162788,C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)O)C(=O)O,N1(C([C@@H](N[C@H](C(=O)O)CCc2ccccc2)CCCCN)=O)[C@H](C(=O)O)CCC1,"InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1",RLAWWYSOJDYHDC-BZSNNMDCSA-N
BMGC_DG11912,BMG_DG162789,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O.Cl,C(C(O)=O)N1c2c(CC[C@H](N[C@@H](CCc3ccccc3)C(OCC)=O)C1=O)cccc2.Cl,"InChI=1S/C24H28N2O5.ClH/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28;/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28);1H/t19-,20-;/m0./s1",VPSRQEHTHIMDQM-FKLPMGAJSA-N
BMGC_DG11913,BMG_DG162790,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O,C(C(O)=O)N1c2c(CC[C@H](N[C@@H](CCc3ccccc3)C(OCC)=O)C1=O)cccc2,"InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1",XPCFTKFZXHTYIP-PMACEKPBSA-N
BMGC_DG11914,BMG_DG162791,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O,N1([C@@H](C[C@]2([C@@]1(CCC2)[H])[H])C(=O)O)C([C@@H](N[C@H](C(=O)OCC)CCc3ccccc3)C)=O,"InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1",HDACQVRGBOVJII-JBDAPHQKSA-N
BMGC_DG11915,BMG_DG162793,,[nH]1c2c(c(C)ncc2)ccc1=O,,OCCZJXAHSUCJSA-UHFFFAOYSA-N
BMGC_DG11916,BMG_DG162794,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@]2(C)O)O)C)OC3=CC=CC4=C3C5=C6C7=C(C=CC(=C7C(=O)O5)C)OC(=O)C6=C4O)N)OC)O,c12c3c(oc(=O)c4c3c(ccc4C)oc1=O)c5c(O[C@H]6[C@@H]([C@](O)(C)[C@H]([C@H](O6)C)O)O[C@@]7([C@@H]([C@@H](OC)[C@H]([C@H](O7)C)O)N)[H])cccc5c2O,"InChI=1S/C33H35NO13/c1-11-9-10-16-19-17(11)29(38)46-25-18-14(24(36)21(20(19)25)30(39)44-16)7-6-8-15(18)45-32-28(33(4,40)27(37)13(3)43-32)47-31-22(34)26(41-5)23(35)12(2)42-31/h6-10,12-13,22-23,26-28,31-32,35-37,40H,34H2,1-5H3/t12-,13-,22-,23+,26-,27+,28+,31-,32+,33+/m1/s1",MGQRRMONVLMKJL-KWJIQSIXSA-N
BMGC_DG11917,BMG_DG162799,C1=CC(=CC(=C1)C(F)(F)F)/C(=N\OCCCCC(=O)O)/C2=CN=CC=C2,C(c1cc(/C(/c2cnccc2)=N\OCCCCC(=O)O)ccc1)(F)(F)F,"InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+",GLLPUTYLZIKEGF-HAVVHWLPSA-N
BMGC_DG11918,BMG_DG162800,,[C@@]123[C@]4(O)[C@@H](Cc5ccc(c(O[C@]1(c6n(C)c7ccccc7c6C4)[H])c25)O)N(CC8CC8)CC3,,CRTCCMARDBQOKA-NVSKSXHLSA-N
BMGC_DG11919,BMG_DG162802,,N1=C(c2cc3OCC(Nc3cc2)=O)C(C)CC(N1)=O,,XZPGINPFWXLYNW-UHFFFAOYSA-N
BMGC_DG11920,BMG_DG162803,COCCOC[C@H](CC1(CCCC1)C(=O)NC2CCC(CC2)C(=O)O)C(=O)OC3=CC4=C(CCC4)C=C3,C(C1(C[C@H](C(Oc2cc3CCCc3cc2)=O)COCCOC)CCCC1)(N[C@@H]4CC[C@H](C(=O)O)CC4)=O,"InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21?,23-,24?/m0/s1",ZTWZVMIYIIVABD-OEMFJLHTSA-N;ZTWZVMIYIIVABD-RZMWZJFBSA-N
BMGC_DG11921,BMG_DG162804,CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5[C@@]6([C@@H](C(=CC=C6C(=N5)C=C1N2)C(=O)OC)C(=O)OC)C)C)CCC(=O)OC)C(=C3C)CCC(=O)O)C=C,[C@@]12(c3nc(C1=CC=C([C@H]2C(=O)OC)C(=O)OC)cc4[nH]c(cc5C(C)=C(c(cc6[nH]c(c3)c(c6CCC(=O)OC)C)n5)CCC(=O)O)c(c4C)C=C)C,"InChI=1S/C41H42N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)25(12-15-37(48)51-6)33(44-30)18-32-24(11-14-36(46)47)21(3)28(43-32)16-31(23)42-29/h9-10,13,16-19,38,42,44H,1,11-12,14-15H2,2-8H3,(H,46,47)/t38-,41+/m0/s1",YTZALCGQUPRCGW-ZSFNYQMMSA-N;YTZALCGQUPRCGW-MXVXOLGGSA-N
BMGC_DG11922,BMG_DG162805,CC(C)C[C@H]([C@H](CSC1=CC=CS1)C(=O)NO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC,[C@H]([C@H](C(N[C@H](C(=O)NC)Cc1ccccc1)=O)CC(C)C)(C(=O)NO)CSc2sccc2,"InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1",XFILPEOLDIKJHX-QYZOEREBSA-N
BMGC_DG11923,BMG_DG162806,,,,
BMGC_DG11924,BMG_DG162807,CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5,[C@@H]1(N(C[C@H](C[C@H](C(N[C@H]2c3c(cccc3)C[C@H]2O)=O)Cc4ccccc4)O)CCN(C1)Cc5cnccc5)C(NC(C)(C)C)=O,"InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1",CBVCZFGXHXORBI-PXQQMZJSSA-N
BMGC_DG11925,BMG_DG162812,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3CCC4,[C@@]123c4c5c(ccc4C[C@]([C@@]1(CCC[C@@]2(O5)[H])[H])(N(C)CC3)[H])O,"InChI=1S/C17H21NO2/c1-18-8-7-17-11-3-2-4-14(17)20-16-13(19)6-5-10(15(16)17)9-12(11)18/h5-6,11-12,14,19H,2-4,7-9H2,1H3/t11-,12+,14-,17+/m0/s1",LNNWVNGFPYWNQE-GMIGKAJZSA-N
BMGC_DG11926,BMG_DG162816,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC(=O)C6=CN=CC=C6)O[C@H]3[C@H](C=C4)OC(=O)C7=CN=CC=C7,[C@@]123c4c5c(ccc4C[C@]([C@@]1(C=C[C@@H]([C@@]2(O5)[H])OC(c6cccnc6)=O)[H])(N(CC3)C)[H])OC(c7cccnc7)=O,"InChI=1S/C29H25N3O5/c1-32-13-10-29-20-7-9-23(36-28(34)19-5-3-12-31-16-19)26(29)37-25-22(8-6-17(24(25)29)14-21(20)32)35-27(33)18-4-2-11-30-15-18/h2-9,11-12,15-16,20-21,23,26H,10,13-14H2,1H3/t20-,21+,23-,26-,29-/m0/s1",HNDXBGYRMHRUFN-CIVUWBIHSA-N
BMGC_DG11927,BMG_DG162821,[S],,InChI=1S/S,NINIDFKCEFEMDL-UHFFFAOYSA-N
BMGC_DG11928,BMG_DG162864,,O=C1OC(=O)C(C1)C/C=C/CCCCCCCCC,,UYCICMIUKYEYEU-ZHACJKMWSA-N
BMGC_DG11929,BMG_DG162900,CC1CCC/C=C/C2CC(CC2C(/C=C/C(=O)O1)O)O,,"InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+",KQNZDYYTLMIZCT-GFGVWQOPSA-N
BMGC_DG11930,BMG_DG162906,C[C@H](C1=CC(=CC=C1)OC2CCCC2)NS(=O)(=O)CCCOCN3C=CC(=O)NC3=O,,"InChI=1S/C21H29N3O6S/c1-16(17-6-4-9-19(14-17)30-18-7-2-3-8-18)23-31(27,28)13-5-12-29-15-24-11-10-20(25)22-21(24)26/h4,6,9-11,14,16,18,23H,2-3,5,7-8,12-13,15H2,1H3,(H,22,25,26)/t16-/m1/s1",AMCGLRWKUQPNKD-MRXNPFEDSA-N
BMGC_DG11931,BMG_DG163095,CN(C)C/C=C(/C1=CC=C(C=C1)Br)\C2=CN=CC=C2,CN(C)C/C=C(\c1cccnc1)/c2ccc(cc2)Br,"InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9-",OYPPVKRFBIWMSX-SXGWCWSVSA-N
BMGC_DG11932,BMG_DG163217,C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2O,,"InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-11,16H/b11-10+",UDOOPSJCRMKSGL-ZHACJKMWSA-N
BMGC_DG11933,BMG_DG163301,,C(OC)(=O)c1c(c2c(c(n1-c3ccc(cc3)N)=O)cc(cc2)OCc4ccccn4)-c5cc(OC)c(c(c5)OC)OC,,ORZROTLRYOYVPB-UHFFFAOYSA-N
BMGC_DG11934,BMG_DG163318,COC(=O)/C=C/C(=O)O,C(/C=C/C(=O)OC)(=O)O,"InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+",NKHAVTQWNUWKEO-NSCUHMNNSA-N
BMGC_DG11935,BMG_DG163327,C1=CC=C(C=C1)CCOC(=O)/C=C/C2=CC=CC=C2,O=C(OCCc1ccccc1)/C=C/c2ccccc2,"InChI=1S/C17H16O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+",MJQVZIANGRDJBT-VAWYXSNFSA-N
BMGC_DG11936,BMG_DG163360,,C(/C=C/C=C/c1cc2OCOc2cc1)(=O)O,,RHBGITBPARBDPH-ZPUQHVIOSA-N
BMGC_DG11937,BMG_DG163370,CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)SC,c1([nH]c(=O)[nH]c1C)C(c2ccc(cc2)SC)=O,"InChI=1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)",ZJKNESGOIKRXQY-UHFFFAOYSA-N
BMGC_DG11938,BMG_DG163411,CC(C)CNC(=O)/C=C/C=C/CCCC/C=C/C1=CC2=C(C=C1)OCO2,,"InChI=1S/C22H29NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h6,8-15,18H,3-5,7,16-17H2,1-2H3,(H,23,24)/b8-6+,11-9+,12-10+",RPOYGOULCHMVBB-ADDDGJNWSA-N
BMGC_DG11939,BMG_DG163418,CC1=CC(=C(C(=C1)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O,C(/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)c1c(O)cc(C)cc1O,"InChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-21(23)14-19(5)15-22(20)24/h8,10,12,14-15,23-24H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+",PZHNKNRPGLTZPO-VZRGJMDUSA-N
BMGC_DG11940,BMG_DG163426,C1CN(CCN1CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO,C/1(\c2c(Sc3c1cccc3)ccc(c2)Cl)=C/CCN4CCN(CCO)CC4,"InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5+",WFPIAZLQTJBIFN-BLLMUTORSA-N
BMGC_DG11941,BMG_DG163428,,c12c(nc3c(n1)cccc3)c(nc(n2)O)O,,HAUGRYOERYOXHX-UHFFFAOYSA-N
BMGC_DG11942,BMG_DG163446,,Cc1ccc2c(=O)cc[nH]c2n1,,JVJJTRYGAHJGAZ-UHFFFAOYSA-N
BMGC_DG11943,BMG_DG163459,C=CCN1CCC2=C(CC1)SC(=N2)N,c12c(CCN(CC1)CC=C)sc(n2)N,"InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)",DHSSDEDRBUKTQY-UHFFFAOYSA-N
BMGC_DG11944,BMG_DG163502,C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)F,,"InChI=1S/C10H5F3O3/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4,14H",CCKWMCUOHJAVOL-UHFFFAOYSA-N
BMGC_DG11945,BMG_DG163504,C1CCN(C1)C/C=C(/CC2=CC=C(C=C2)Cl)\C3=CC=CC=C3,,"InChI=1S/C20H22ClN/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22/h1-3,6-12H,4-5,13-16H2/b19-12-",WDYYVNNRTDZKAZ-UNOMPAQXSA-N
BMGC_DG11946,BMG_DG163510,,[nH]1c2c(c3c1ccc(c3)OC)ccnc2C,,XYYVPBBISSKKQB-UHFFFAOYSA-N
BMGC_DG11947,BMG_DG163517,C1=CC(=O)OC2=C(C3=C(C=CO3)C(=C21)O)O,,"InChI=1S/C11H6O5/c12-7-2-1-5-8(13)6-3-4-15-10(6)9(14)11(5)16-7/h1-4,13-14H",DZEPISXWRUMGFN-UHFFFAOYSA-N
BMGC_DG11948,BMG_DG163529,C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-],,InChI=1S/C17H12N2O2/c20-19(21)16-6-3-4-13(12-16)8-10-15-11-9-14-5-1-2-7-17(14)18-15/h1-12H/b10-8+,URIXDBULDXTIHZ-CSKARUKUSA-N
BMGC_DG11949,BMG_DG163531,,O=C\1c2c(CC/C1=C\c3ccccc3)cccc2,,JNRAEZULKWNOQO-NTCAYCPXSA-N
BMGC_DG11950,BMG_DG163533,C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O,,"InChI=1S/C15H10O3/c16-11-6-7-12-14(8-11)18-9-13(15(12)17)10-4-2-1-3-5-10/h1-9,16H",WMKOZARWBMFKAS-UHFFFAOYSA-N
BMGC_DG11951,BMG_DG163544,,c1(C(/C=C/c2ccc([N+]([O-])=O)cc2)=O)ccccc1,,WDZGGAFMGIOIQS-DHZHZOJOSA-N
BMGC_DG11952,BMG_DG163564,COC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O,,"InChI=1S/C16H12O7/c1-22-16-9(18)6-10-11(13(16)20)12(19)14(21)15(23-10)7-2-4-8(17)5-3-7/h2-6,17-18,20-21H,1H3",OGQSUSFDBWGFFJ-UHFFFAOYSA-N
BMGC_DG11953,BMG_DG163566,C/C=C\1/C(CC(N1C)C)(C2=CC=CC=C2)C3=CC=CC=C3,,"InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3/b19-4-",AJRJPORIQGYFMT-PVOVUMCXSA-N
BMGC_DG11954,BMG_DG163567,,c1ccc2c(c1)sc(n2)/C=C/c3ccc(cc3)N(C)C,,MVMOMSLTZMMLJR-FMIVXFBMSA-N
BMGC_DG11955,BMG_DG163581,,c12c(n(C)c3c(c1=O)cccc3O)c4C=CC(Oc4cc2O)(C)C,,JZQDCDLYNFZBIG-UHFFFAOYSA-N
BMGC_DG11956,BMG_DG163594,CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F,n1(c2c(c(c(c1)C(=O)O)=O)cc(c(c2OC)N3CC(NCC3)C)F)C4CC4,"InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)",XUBOMFCQGDBHNK-UHFFFAOYSA-N
BMGC_DG11957,BMG_DG163599,COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)O,Oc1c2c(oc(cc2=O)-c3cc(OC)c(O)cc3)cc(O)c1OC,"InChI=1S/C17H14O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3",GLAAQZFBFGEBPS-UHFFFAOYSA-N
BMGC_DG11958,BMG_DG163608,,C(C(Nc1cc(ccc1)-c2nnn[nH]2)=O)(=O)OCCCC,,XQTARQNQIVVBRX-UHFFFAOYSA-N
BMGC_DG11959,BMG_DG163625,CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C,c12C(CCSc1ccc(C#Cc3ncc(cc3)C(=O)OCC)c2)(C)C,"InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3",OGQICQVSFDPSEI-UHFFFAOYSA-N
BMGC_DG11960,BMG_DG163629,,,,
BMGC_DG11961,BMG_DG163644,,O(c1c(Cl)cc(Cl)cn1)c2ccc(Oc3c(Cl)cc(Cl)cn3)cc2,,BAFKRPOFIYPKBQ-UHFFFAOYSA-N
BMGC_DG11962,BMG_DG163690,,n1c(c2c3c([nH]cc3)ccc2nc1N)N,,AMQWKZUAOLLUPP-UHFFFAOYSA-N
BMGC_DG11963,BMG_DG163694,C[C@H](CCCC(C)(C)O)[C@H]1CCC2[C@@]1(CCCC2=CC=C3C[C@H](C[C@H](C3=C)O)O)C,,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/t18-,22-,23-,24?,25-,27-/m1/s1",GMRQFYUYWCNGIN-KMKTVQFJSA-N
BMGC_DG11964,BMG_DG163695,,c1(C(/N=N/c2ccccc2)=NNc3c([N+]([O-])=O)cc([N+]([O-])=O)cc3)nc4ccccc4[nH]1,,TUAPOQRHXNALEU-LGJXMWQTSA-N
BMGC_DG11965,BMG_DG163718,,c1(c(ccc(c1)/C=C/c2cc(cc(c2)OC)OC)OC)O,,UQIWTPQGJCCTPA-SNAWJCMRSA-N
BMGC_DG11966,BMG_DG163739,C1CC(OC1)N2C=C(C(=O)NC2=O)F,n1(c([nH]c(c(c1)F)=O)=O)C2OCCC2,"InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)",WFWLQNSHRPWKFK-UHFFFAOYSA-N
BMGC_DG11967,BMG_DG163740,C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O,,"InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30?,31+,32+,33-,34-,35+,36+,37-,38-,40+,41?,42+,43?,44?,46?,47+/m0/s1",APKFDSVGJQXUKY-UPWJBAEMSA-N
BMGC_DG11968,BMG_DG163746,COC1=C(C=C(C=C1)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)O,O(C)c1c(OC)cc(/C=C/c2cc(O)c(OC)cc2)cc1OC,"InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5+",HVXBOLULGPECHP-AATRIKPKSA-N
BMGC_DG11969,BMG_DG163750,C=CCSS/C=C/CS(=O)CC=C,[S+]([O-])(C/C=C/SSCC=C)CC=C,"InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+",IXELFRRANAOWSF-FNORWQNLSA-N
BMGC_DG11970,BMG_DG163783,CN(C)CC[C@@](C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O,c1(cc2cc(c(nc2cc1)OC)[C@H]([C@@](c3cccc4c3cccc4)(O)CCN(C)C)c5ccccc5)Br,"InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1",QUIJNHUBAXPXFS-XLJNKUFUSA-N
BMGC_DG11971,BMG_DG163784,,,,
BMGC_DG11972,BMG_DG163785,CC[C@H]1C[C@@H]([C@@]2([C@H]([C@H]([C@H]([C@@H](O2)C[C@@H]([C@@H](C)CC/C=C/C=C(\C)/[C@@H]3C/C=C/C=C/[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O3)CC5=CC(=CC=C5)O)C(C)C)CCC(=O)C)O)C)O)O)C)O)C)NC1=O)C,,"InChI=1S/C60H91N5O13/c1-11-43-30-37(6)60(63-55(43)72)41(10)53(70)40(9)51(78-60)33-49(69)35(4)20-14-12-15-21-36(5)50-26-17-13-16-25-48(68)39(8)54(71)45(28-27-38(7)66)56(73)62-52(34(2)3)57(74)61-47(32-42-22-18-23-44(67)31-42)58(75)65-29-19-24-46(64-65)59(76)77-50/h12-13,15-18,21-23,25,31,34-35,37,39-41,43,45-54,64,67-71H,11,14,19-20,24,26-30,32-33H2,1-10H3,(H,61,74)(H,62,73)(H,63,72)/b15-12+,17-13+,25-16+,36-21+/t35-,37-,39-,40-,41-,43-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54+,60+/m0/s1",ONJZYZYZIKTIEG-CFBQITSMSA-N
BMGC_DG11973,BMG_DG163787,,,,
BMGC_DG11974,BMG_DG163788,,N12C([C@@H](N(C([C@]3(N(C([C@H](NC([C@H]([C@H](OC([C@@H](NC([C@@]1(CC(CC2)=O)[H])=O)c4ccccc4)=O)C)NC(c5ncccc5O)=O)=O)CC)=O)CCC3)[H])=O)C)Cc6ccccc6)=O,,FEPMHVLSLDOMQC-IYPFLVAKSA-N
BMGC_DG11975,BMG_DG163789,CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3C[C@H](C(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CS[C@@H]6CN7CCC6CC7)CC8=CC=C(C=C8)N(C)C)C,N12C([C@@H](N(C([C@]3(N(C([C@H](NC([C@H]([C@H](OC([C@@H](NC([C@@]1(CC([C@@H](C2)CS[C@@H]4CN5CCC4CC5)=O)[H])=O)c6ccccc6)=O)C)NC(c7ncccc7O)=O)=O)CC)=O)CCC3)[H])=O)C)Cc8ccc(cc8)N(C)C)=O,"InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35+,37-,38+,39+,40+,43-,44+,45+/m1/s1",WTHRRGMBUAHGNI-LCYNINFDSA-N
BMGC_DG11976,BMG_DG163792,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O.C(=C\C(=O)O)\C(=O)O,N1(CCC[C@H]1C(=O)O)C([C@@H](N[C@H](C(=O)OCC)CCc2ccccc2)C)=O.C(/C=C\C(=O)O)(=O)O,"InChI=1S/C20H28N2O5.C4H4O4/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25;5-3(6)1-2-4(7)8/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,16-,17-;/m0./s1",OYFJQPXVCSSHAI-QFPUQLAESA-N
BMGC_DG11977,BMG_DG163793,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O,N1(C([C@@H](N[C@H](C(=O)OCC)CCc2ccccc2)C)=O)[C@H](C(=O)O)CCC1,"InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1",GBXSMTUPTTWBMN-XIRDDKMYSA-N
BMGC_DG11978,BMG_DG163799,CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O,C(C)[C@@]12[C@]3([C@@]4([C@@]([C@](C(OC)=O)(O)[C@@H]1OC(C)=O)([H])N(C=O)c5c4cc(c(OC)c5)[C@]6(C(OC)=O)c7c(c8c([nH]7)cccc8)CCN9C[C@@H](C[C@](CC)(O)C9)C6)CCN3CC=C2)[H],"InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1",OGWKCGZFUXNPDA-CFWMRBGOSA-N
BMGC_DG11979,BMG_DG163815,CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3,N1=C(c2c(ccc(c2)Cl)N(C(C1O)=O)C)c3ccccc3,"InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3",SEQDDYPDSLOBDC-UHFFFAOYSA-N
BMGC_DG11980,BMG_DG163829,COP(=S)(OC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC,P(=S)(Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1)(OC)OC,"InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3",WWJZWCUNLNYYAU-UHFFFAOYSA-N
BMGC_DG11981,BMG_DG163830,,CC(=O)c1cc2ccc(O)cc2oc1=O,,BRQZHMHHZLRXOO-UHFFFAOYSA-N
BMGC_DG11982,BMG_DG163837,C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=CC=C3O2)O)O,,"InChI=1S/C15H10O4/c16-10-7-4-8-11-12(10)13(17)14(18)15(19-11)9-5-2-1-3-6-9/h1-8,16,18H",QHYWQIVTVQAKQF-UHFFFAOYSA-N
BMGC_DG11983,BMG_DG163838,C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O,o1c2c(ccc(c2)O)c(c(c1-c3ccccc3)O)=O,"InChI=1S/C15H10O4/c16-10-6-7-11-12(8-10)19-15(14(18)13(11)17)9-4-2-1-3-5-9/h1-8,16,18H",UWQJWDYDYIJWKY-UHFFFAOYSA-N
BMGC_DG11984,BMG_DG163842,C1=CC2=C(C=C1O)OC(=O)C(=C2)C#N,,"InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H",IJQYTHQDUDCJEQ-UHFFFAOYSA-N
BMGC_DG11985,BMG_DG163846,CN1C(=O)N2C=NC(=C2N=N1)C(=O)N,n12c(c(C(=O)N)nc1)nnn(c2=O)C,"InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)",BPEGJWRSRHCHSN-UHFFFAOYSA-N
BMGC_DG11986,BMG_DG163858,COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O,,"InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3",NRUKOCRGYNPUPR-UHFFFAOYSA-N
BMGC_DG11987,BMG_DG163899,COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC,c1(nc(N)c2c(n1)cc(c(OC)c2)OC)N3CCN(C(C4OCCC4)=O)CC3,"InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)",VCKUSRYTPJJLNI-UHFFFAOYSA-N
BMGC_DG11988,BMG_DG163912,CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O,c1(cc(O)cc(c1)O)C(CNC(C)(C)C)O,"InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3",XWTYSIMOBUGWOL-UHFFFAOYSA-N
BMGC_DG11989,BMG_DG163916,,,,
BMGC_DG11990,BMG_DG163917,,,,
BMGC_DG11991,BMG_DG163931,CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O,C(C1CCN(CC1)CCCC(c2ccc(C(C)(C)C)cc2)O)(c3ccccc3)(c4ccccc4)O,"InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3",GUGOEEXESWIERI-UHFFFAOYSA-N
BMGC_DG11992,BMG_DG163945,CN1CC[C@]23C=C(C(=O)C=C2[C@H]1CC4=C3C(=C(C=C4)OC)O)OC,N1(C)CC[C@@]23C(=CC(=O)C(=C2)OC)[C@H]1Cc4c3c(c(cc4)OC)O,"InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/m1/s1",GVTRUVGBZQJVTF-YJYMSZOUSA-N
BMGC_DG11993,BMG_DG163965,CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C,C(c1ccc(cc1)NCCCC)(=O)OCCN(C)C,"InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3",GKCBAIGFKIBETG-UHFFFAOYSA-N
BMGC_DG11994,BMG_DG163967,,c12c(C(=O)C)c(O)ccc1ccc(o2)=O,,XWYMACPLPPQCHC-UHFFFAOYSA-N
BMGC_DG11995,BMG_DG163972,CC(C(=O)NCC(=O)O)SC(=O)C1=CC=CS1,s1c(ccc1)C(SC(C)C(NCC(O)=O)=O)=O,"InChI=1S/C10H11NO4S2/c1-6(9(14)11-5-8(12)13)17-10(15)7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)",JNYSEDHQJCOWQU-UHFFFAOYSA-N
BMGC_DG11996,BMG_DG163976,CC[N+](CC)(CC)CC,[N+](CC)(CC)(CC)CC,"InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1",CBXCPBUEXACCNR-UHFFFAOYSA-N
BMGC_DG11997,BMG_DG163977,,,,
BMGC_DG11998,BMG_DG163983,,CCCCCCCCOCCOCCOCCOCCO,,FEOZZFHAVXYAMB-UHFFFAOYSA-N
BMGC_DG11999,BMG_DG163993,CC1=CC(=C(C(=C1NC(=O)CN(CC(=O)O)CC(=O)O)C)Br)C,c1(C)c(NC(CN(CC(=O)O)CC(=O)O)=O)c(C)cc(c1Br)C,"InChI=1S/C15H19BrN2O5/c1-8-4-9(2)15(10(3)14(8)16)17-11(19)5-18(6-12(20)21)7-13(22)23/h4H,5-7H2,1-3H3,(H,17,19)(H,20,21)(H,22,23)",MHPZZZZLAQGTHT-UHFFFAOYSA-N
BMGC_DG12000,BMG_DG163995,,Oc1ccc2c(oc(c3c2CCCCC3)=O)c1,,XWZHCDCMXBLZFJ-UHFFFAOYSA-N
BMGC_DG12001,BMG_DG164003,COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC,O(c1c(OC)cc2c(C3Cc4ccc(OC)c(OC)c4CN3CC2)c1)C,"InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3",AEQDJSLRWYMAQI-UHFFFAOYSA-N
BMGC_DG12002,BMG_DG164013,C1CC(C2=CC=CC=C2C1)C3=NCCN3,C1(C2c3c(cccc3)CCC2)=NCCN1,"InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)",BYJAVTDNIXVSPW-UHFFFAOYSA-N
BMGC_DG12003,BMG_DG164023,CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C,,"InChI=1S/C12H32N4O3P2/c1-9(2)13-20(17,14-10(3)4)19-21(18,15-11(5)6)16-12(7)8/h9-12H,1-8H3,(H2,13,14,17)(H2,15,16,18)",IOIMDJXKIMCMIG-UHFFFAOYSA-N
BMGC_DG12004,BMG_DG164030,,c1(c(cc(c(c1)CC(N)C)OC)CCC)OC,,UEEAUFJYLUJWQJ-UHFFFAOYSA-N
BMGC_DG12005,BMG_DG164035,C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C,C/1C[C@@]2([C@@H]([C@@]3([C@@](CC/C(=C1)/C)(C(C(O3)=O)=C)[H])[H])O2)C,"InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13-,15+/m0/s1",KTEXNACQROZXEV-ZRPLFPEYSA-N;KTEXNACQROZXEV-QLIGOWBFSA-N
BMGC_DG12006,BMG_DG164036,CC1=CC2=C(C=C1)C(C3=C(C=C2)C=C(C=C3)C)C4=CN(C(=O)NC4=S)CC5=CC=C(O5)C(=O)NC6=NNN=N6,,"InChI=1S/C28H23N7O3S/c1-15-3-8-20-17(11-15)5-6-18-12-16(2)4-9-21(18)24(20)22-14-35(28(37)30-26(22)39)13-19-7-10-23(38-19)25(36)29-27-31-33-34-32-27/h3-12,14,24H,13H2,1-2H3,(H,30,37,39)(H2,29,31,32,33,34,36)",PVKNPGQAFNALOI-UHFFFAOYSA-N
BMGC_DG12007,BMG_DG164060,CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2C[C@H](O[C@H](C2)C)C.Cl,N1(C[C@@H](C)O[C@H](C1)C)CC(Cc2ccc(C(CC)(C)C)cc2)C.Cl,"InChI=1S/C21H35NO.ClH/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22;/h8-11,16-18H,7,12-15H2,1-6H3;1H/t16?,17-,18+;",XZKWIPVTHGWDCF-KUZYQSSXSA-N
BMGC_DG12008,BMG_DG164063,C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O,N1(C(c2ccccc2C1=O)=O)C3C(NC(CC3)=O)=O,"InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)",UEJJHQNACJXSKW-UHFFFAOYSA-N
BMGC_DG12009,BMG_DG164064,CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2C[C@H](O[C@H](C2)C)C,,"InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3/t16?,17-,18+",MQHLMHIZUIDKOO-AYHJJNSGSA-N
BMGC_DG12010,BMG_DG164095,CN1C=NC2=C1C(=O)NC(=O)N2C,c12c(c(=O)[nH]c(n1C)=O)n(C)cn2,"InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)",YAPQBXQYLJRXSA-UHFFFAOYSA-N
BMGC_DG12011,BMG_DG164102,C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3,c1(nc2ccccc2[nH]1)-c3ncsc3,"InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)",WJCNZQLZVWNLKY-UHFFFAOYSA-N
BMGC_DG12012,BMG_DG164106,CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)[O-],,"InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)",AYEKOFBPNLCAJY-UHFFFAOYSA-N
BMGC_DG12013,BMG_DG164108,,C([C@H](NCCC)C)c1ccccc1,,SNPGTHLGFHVIDA-LLVKDONJSA-N
BMGC_DG12014,BMG_DG164120,C[C@H]1[C@H](O1)P(=O)(O)[O-].C(C(CO)(CO)[NH3+])O,[C@@H]1(O[C@H]1C)P(=O)(O)O.C(N)(CO)(CO)CO,"InChI=1S/C4H11NO3.C3H7O4P/c5-4(1-6,2-7)3-8;1-2-3(7-2)8(4,5)6/h6-8H,1-3,5H2;2-3H,1H3,(H2,4,5,6)/t;2-,3+/m.0/s1",QZJIMDIBFFHQDW-LMLSDSMGSA-N
BMGC_DG12015,BMG_DG164135,,C[C@]12CC[C@]3([C@@](CC=C4C=CCC[C@]34C)([C@@]1(CC[C@@H]2O)[H])[H])[H],,UDTLPVXKKHGQBG-DYKIIFRCSA-N
BMGC_DG12016,BMG_DG164136,,,,
BMGC_DG12017,BMG_DG164152,C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O,,"InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/t10-,14-/m1/s1",OKBVVJOGVLARMR-QMTHXVAHSA-N
BMGC_DG12018,BMG_DG164160,CC1=C2C(=NC(=NC2=NC=C1CC3=C(C=CC(=C3)OC)OC)N)N,COc1ccc(OC)c(c1)Cc2c(C)c3c(nc(N)nc3nc2)N,"InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)",VJXSSYDSOJBUAV-UHFFFAOYSA-N
BMGC_DG12019,BMG_DG164162,C1C(=O)NC(=O)S1,C1(NC(=O)SC1)=O,"InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)",ZOBPZXTWZATXDG-UHFFFAOYSA-N
BMGC_DG12020,BMG_DG164165,C[C@H]([C@@H](CO)NC(=O)C1CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)O.CC(=O)O.CC(=O)O,,"InChI=1S/C49H66N10O10S2.2C2H4O2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41;2*1-2(3)4/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64);2*1H3,(H,3,4)/t28-,29?,34?,36?,37?,38?,39-,40?,41?,42?;;/m1../s1",QWFYIFWTVZFPRY-AARKYNAGSA-N
BMGC_DG12021,BMG_DG164173,,,,
BMGC_DG12022,BMG_DG164176,C[C@@H]1CN(CC[C@@]1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F.Cl,[C@]1([C@@H](CN(CC1)[C@@H]2CC[C@@](CC2)(C#N)c3ccc(cc3)F)C)(C(=O)O)c4ccccc4.Cl,"InChI=1S/C26H29FN2O2.ClH/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20;/h2-10,19,23H,11-17H2,1H3,(H,30,31);1H/t19-,23?,25?,26-;/m1./s1",OICFWWJHIMKBCD-SFUPJVRMSA-N;OICFWWJHIMKBCD-VALQNVSPSA-N
BMGC_DG12023,BMG_DG164178,C[C@@H]1CN(CC[C@@]1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F,[C@]1([C@@H](CN(CC1)[C@@H]2CC[C@@](CC2)(C#N)c3ccc(cc3)F)C)(C(=O)O)c4ccccc4;C([C@@]1(CCN(C[C@H]1C)[C@@H]2CC[C@](CC2)(c3ccc(cc3)F)C#N)c4ccccc4)(=O)O,"InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/t19-,23?,25?,26-/m1/s1",ZCGOMHNNNFPNMX-KYTRFIICSA-N;ZCGOMHNNNFPNMX-YHYDXASRSA-N
BMGC_DG12024,BMG_DG164188,[O-][As]([O-])[O-],[O-][As]([O-])[O-],InChI=1S/AsO3/c2-1(3)4/q-3,OWTFKEBRIAXSMO-UHFFFAOYSA-N
BMGC_DG12025,BMG_DG164189,CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C,N1(c2c(ccc(c2)SCC)Sc3c1cccc3)CCCN4CCN(CC4)C,"InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3",XCTYLCDETUVOIP-UHFFFAOYSA-N
BMGC_DG12026,BMG_DG164213,,O=S1(=O)c2c(cc(s2)S(N)(=O)=O)[C@H](CN1CCCO)NCC,,WQSYAXSFXFVBTJ-VIFPVBQESA-N
BMGC_DG12027,BMG_DG164214,C1CN2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O,N12[C@@]([C@@H](O)[C@@H]([C@H](C1)O)O)([C@@H](O)CC2)[H],"InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1",JDVVGAQPNNXQDW-TVNFTVLESA-N
BMGC_DG12028,BMG_DG164217,CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C,C=12[C@]([C@@H](OC(C(CC)(C)C)=O)C[C@H](C1)C)([C@@H](CC[C@H]3OC(=O)C[C@@H](C3)O)[C@H](C=C2)C)[H],"InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1",RYMZZMVNJRMUDD-HGQWONQESA-N
BMGC_DG12029,BMG_DG164220,,Oc1cc2C(C)NCCc2cc1O,,IBRKLUSXDYATLG-UHFFFAOYSA-N
BMGC_DG12030,BMG_DG164223,C1CN=C(N1)C2COC3=CC=CC=C3O2,C1(Oc2ccccc2OC1)C3=NCCN3,"InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)",HPMRFMKYPGXPEP-UHFFFAOYSA-N
BMGC_DG12031,BMG_DG164234,C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)N,o1c([N+]([O-])=O)ccc1/C=N/NC(N)=O,"InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+",IAIWVQXQOWNYOU-FPYGCLRLSA-N
BMGC_DG12032,BMG_DG164238,CCN1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2OC)Br)OC,c1(c(ccc(c1OC)Br)OC)C(NC[C@H]2N(CCC2)CC)=O,"InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1",GUJRSXAPGDDABA-NSHDSACASA-N
BMGC_DG12033,BMG_DG164251,O[As](O)O,[As](O)(O)O,InChI=1S/AsH3O3/c2-1(3)4/h2-4H,GCPXMJHSNVMWNM-UHFFFAOYSA-N
BMGC_DG12034,BMG_DG164262,CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC,N1(C(CCN2c3c(ccc(c3)SC)Sc4c2cccc4)CCCC1)C,"InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3",KLBQZWRITKRQQV-UHFFFAOYSA-N
BMGC_DG12035,BMG_DG164271,C1CN1P(=S)(N2CC2)N3CC3,P(N1CC1)(N2CC2)(N3CC3)=S,"InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2",FOCVUCIESVLUNU-UHFFFAOYSA-N
BMGC_DG12036,BMG_DG164279,CN(C)C(=S)SSC(=S)N(C)C,C(SSC(=S)N(C)C)(=S)N(C)C,InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3,KUAZQDVKQLNFPE-UHFFFAOYSA-N
BMGC_DG12037,BMG_DG164291,CON=C1CN(CC12CNC2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5CC5)C(=O)O)F,,"InChI=1S/C19H20FN5O4/c1-29-23-14-6-24(9-19(14)7-21-8-19)17-13(20)4-11-15(26)12(18(27)28)5-25(10-2-3-10)16(11)22-17/h4-5,10,21H,2-3,6-9H2,1H3,(H,27,28)",ZNPOCLHDJCAZAH-UHFFFAOYSA-N
BMGC_DG12038,BMG_DG164297,CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2,c1(N(Cc2ccc(OC)cc2)CC[N+](CCCCCCCCCCCCCCCC)(C)C)ncccn1,"InChI=1S/C32H55N4O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30/h19-25H,5-18,26-29H2,1-4H3/q+1",IOYZYMQFUSNATM-UHFFFAOYSA-N
BMGC_DG12039,BMG_DG164302,CCCN1CCC[C@H]2[C@H]1CC3=C(C2)NN=C3,c12C[C@]3(N(CCC[C@@]3(Cc2[nH]nc1)[H])CCC)[H],"InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1",FTSUPYGMFAPCFZ-ZWNOBZJWSA-N
BMGC_DG12040,BMG_DG164314,CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2,c1(N(Cc2ccc(cc2)OC)CCN(C)C)ncccn1,"InChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3",GULNIHOSWFYMRN-UHFFFAOYSA-N
BMGC_DG12041,BMG_DG164317,COC1=CC(=C(C=C1C(=O)NCC2CCN(CC2)CCCN3C=CN=N3)Cl)N,C(c1c(cc(c(c1)Cl)N)OC)(=O)NCC2CCN(CC2)CCCn3nncc3,"InChI=1S/C19H27ClN6O2/c1-28-18-12-17(21)16(20)11-15(18)19(27)22-13-14-3-8-25(9-4-14)6-2-7-26-10-5-23-24-26/h5,10-12,14H,2-4,6-9,13,21H2,1H3,(H,22,27)",AULLTYAISZREAX-UHFFFAOYSA-N
BMGC_DG12042,BMG_DG164321,CN(CC1=CC2=C(S1)C(=NC(=N2)C3=CN=C(C=C3)OC)N4CCOCC4)C5=NC=C(C=N5)C(=O)NO,c1(ncc(cn1)C(=O)NO)N(C)Cc2cc3nc(nc(c3s2)N4CCOCC4)-c5cnc(cc5)OC,"InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32)",JOWXJLIFIIOYMS-UHFFFAOYSA-N
BMGC_DG12043,BMG_DG164322,C1CN(CCN1C2=NN=C(C=C2C3=CC=NC=C3)C4=CC=CC=C4)C5=NC=CC=N5,c1cccc(c1)-c2cc(c(nn2)N3CCN(CC3)c4ncccn4)-c5ccncc5,"InChI=1S/C23H21N7/c1-2-5-19(6-3-1)21-17-20(18-7-11-24-12-8-18)22(28-27-21)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2",ZPJGUEPHFXPAQF-UHFFFAOYSA-N
BMGC_DG12044,BMG_DG164323,C1CC1C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C(=C3)F)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F,C(Nc1c(F)cc(c(c1)F)Oc2cc(NC(=O)C3CC3)ncc2)(=O)C4(C(Nc5ccc(cc5)F)=O)CC4,"InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)",GNNDEPIMDAZHRQ-UHFFFAOYSA-N
BMGC_DG12045,BMG_DG164325,C1CN(CCN1CC2=CC3=C(C=C2)OC(O3)(F)F)C(=O)NC4=C(C=CN=C4)Cl,N1(CCN(CC1)Cc2cc3OC(Oc3cc2)(F)F)C(=O)Nc4cnccc4Cl,"InChI=1S/C18H17ClF2N4O3/c19-13-3-4-22-10-14(13)23-17(26)25-7-5-24(6-8-25)11-12-1-2-15-16(9-12)28-18(20,21)27-15/h1-4,9-10H,5-8,11H2,(H,23,26)",YWGYNGCRVZLMCS-UHFFFAOYSA-N
BMGC_DG12046,BMG_DG164327,,CCNC(C#Cc1cc2NC(=O)/C(=C(/c3ccccc3)\Nc4ccc(CN(C)C)cc4)/c2cc1)=O,,FLBNLJLONKAPLR-DQSJHHFOSA-N
BMGC_DG12047,BMG_DG164347,CCC1=C[C@H]2C[C@]3([C@@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC,C=1(CC)[C@@]2([C@]3(c4[nH]c5c(c4CC[N@@]2C[C@](C3)(C1)[H])cccc5)C(OC)=O)[H],"InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13-,19+,21-/m0/s1",CMKFQVZJOWHHDV-NQZBTDCJSA-N
BMGC_DG12048,BMG_DG164368,CC(C)/C=C/C1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)OC,,"InChI=1S/C26H28O6/c1-14(2)6-9-18-21(31-5)13-22-23(24(18)29)25(30)19(10-7-15(3)4)26(32-22)17-11-8-16(27)12-20(17)28/h6-9,11-14,27-29H,10H2,1-5H3/b9-6+",KRGDFVQWQJIMEK-RMKNXTFCSA-N
BMGC_DG12049,BMG_DG164372,C1=CC(=CC=C1C(=O)NCCC(=O)O)N=NC2=CC(=C(C=C2)O)C(=O)O,C(NCCC(O)=O)(c1ccc(cc1)/N=N/c2cc(C(O)=O)c(cc2)O)=O,"InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)",IPOKCKJONYRRHP-UHFFFAOYSA-N;IPOKCKJONYRRHP-FMQUCBEESA-N
BMGC_DG12050,BMG_DG164390,,C[C@]12[C@]3([C@]4(C[C@H](CC3)C(=C)C4)CC[C@@]1([C@@](C(O)=O)(C)CCC2)[H])[H],,NIKHGUQULKYIGE-MHHCCDILSA-N
BMGC_DG12051,BMG_DG164416,C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-],[C@@]12([H])[C@](O1)([H])[C@@H]3C[C@H](OC(=O)[C@@H](c4ccccc4)CO)C[C@H]2[N+]3(C)C.[Br-],"InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12?,13-,14-,15+,16-,17+;/m1./s1",CXYRUNPLKGGUJF-RAFJPFSSSA-M;CXYRUNPLKGGUJF-OZVSTBQFSA-M
BMGC_DG12052,BMG_DG164433,CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC,Oc1c(OC)ccc2c1[C@]34CC(=O)C(OC)=C[C@]3([H])[C@@]([H])(N(C)CC4)C2,"InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1",INYYVPJSBIVGPH-QHRIQVFBSA-N
BMGC_DG12053,BMG_DG164435,C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)/C,N12C(=CCC1)C(O[C@@H]([C@@H](/C=C/C(NC/C=C/C(=C/[C@H](CC(Cc3nc(C2=O)co3)=O)O)/C)=O)C)C(C)C)=O,"InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1",DAIKHDNSXMZDCU-FQTGFAPKSA-N
BMGC_DG12054,BMG_DG164442,,O(C[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@H]1[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O)[C@@H](CO)O1,,ZZQWQNAZXFNSEP-JCOQVFCVSA-N
BMGC_DG12055,BMG_DG164445,,,,
BMGC_DG12056,BMG_DG164446,,,,
BMGC_DG12057,BMG_DG164463,,,,
BMGC_DG12058,BMG_DG164466,C([C@@H](C(=O)[O-])O)C(=O)[O-],,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1",BJEPYKJPYRNKOW-REOHCLBHSA-L
BMGC_DG12059,BMG_DG164472,CC1=C(C(=CC=C1)C)OCCCN2CCN(CC2)C3=CC=CC=C3OC.Cl,,"InChI=1S/C22H30N2O2.ClH/c1-18-8-6-9-19(2)22(18)26-17-7-12-23-13-15-24(16-14-23)20-10-4-5-11-21(20)25-3;/h4-6,8-11H,7,12-17H2,1-3H3;1H",AIVAMIDHQVBRBJ-UHFFFAOYSA-N
BMGC_DG12060,BMG_DG164477,C(/C(=C/C(=O)[O-])/C(=O)[O-])C(=O)[O-],,"InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/b3-1-",GTZCVFVGUGFEME-IWQZZHSRSA-K
BMGC_DG12061,BMG_DG164482,C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C,,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,10,19-21,23-25,28H,6,8-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1",PKEPPDGGTSZLBL-SKCNUYALSA-N
BMGC_DG12062,BMG_DG164487,C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O,[C@@]12(C=3[C@@]([C@@]4([C@@](C[C@@H](O)[C@H](C4)O)(C(C3)=O)[H])C)(CC[C@@]1([C@@]([C@@]([C@@H](CCC(C)(C)O)O)(C)O)(CC2)[H])C)[H])O,"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1",NKDFYOWSKOHCCO-YPVLXUMRSA-N
BMGC_DG12063,BMG_DG164488,C1=CC=C(C(=C1)C(=O)[O-])N,,"InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)/p-1",RWZYAGGXGHYGMB-UHFFFAOYSA-M
BMGC_DG12064,BMG_DG164497,C(COP(=O)(O)OC[C@H](CO)O)N,O(C[C@@H](O)CO)P(O)(=O)OCCN,"InChI=1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m0/s1",JZNWSCPGTDBMEW-YFKPBYRVSA-N
BMGC_DG12065,BMG_DG164502,C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)O,[C@H]([C@H](O)C(=O)CO)([C@@H]([C@H](O)CO)O)O,"InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2/t3-,5-,6-,7-/m1/s1",HSNZZMHEPUFJNZ-SHUUEZRQSA-N
BMGC_DG12066,BMG_DG164515,C([C@@H]1[C@H]([C@H](C(O1)NC(=O)CN)O)O)OP(=O)(O)O,,"InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7?/m1/s1",OBQMLSFOUZUIOB-HJZCUYRDSA-N
BMGC_DG12067,BMG_DG164541,C(C(=O)O)P(=O)(O)O,P(CC(=O)O)(O)(=O)O,"InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)",XUYJLQHKOGNDPB-UHFFFAOYSA-N
BMGC_DG12068,BMG_DG164542,,OC[C@@H](O)[C@H](CC=O)O,,ASJSAQIRZKANQN-CRCLSJGQSA-N
BMGC_DG12069,BMG_DG164546,,O=C[C@@H]([C@H]([C@@H]([C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O)O)O,,AYRXSINWFIIFAE-YJOKQAJESA-N
BMGC_DG12070,BMG_DG164548,,[C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@H]([C@H]([C@@H]([C@@H](O)C=O)O)O)O,,AYRXSINWFIIFAE-GFRRCQKTSA-N
BMGC_DG12071,BMG_DG164556,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O)O)O)O,O(C[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O,"InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17-,18-/m0/s1",FZWBNHMXJMCXLU-BLAUPYHCSA-N
BMGC_DG12072,BMG_DG164563,C1=C(NC=N1)/C=C/C(=O)[O-],,"InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/p-1/b2-1+",LOIYMIARKYCTBW-OWOJBTEDSA-M
BMGC_DG12073,BMG_DG164602,C[C@@H](C(=O)[O-])O,[O-]C(=O)[C@@H](O)C,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1",JVTAAEKCZFNVCJ-REOHCLBHSA-M
BMGC_DG12074,BMG_DG164604,C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-],,"InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3",ODBLHEXUDAPZAU-UHFFFAOYSA-K
BMGC_DG12075,BMG_DG164610,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co],,"InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1",FEZWOUWWJOYMLT-DSRCUDDDSA-L
BMGC_DG12076,BMG_DG164625,CCCCCCCC/C=C\CCCCCCCC(=O)[O-],,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9-",ZQPPMHVWECSIRJ-KTKRTIGZSA-M
BMGC_DG12077,BMG_DG164647,C([C@@H]([C@@H]([C@H](C=O)O)O)O)O,C([C@@H]([C@@H]([C@H](C=O)O)O)O)O,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m0/s1",PYMYPHUHKUWMLA-VAYJURFESA-N
BMGC_DG12078,BMG_DG164659,C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,,"InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1",RFDAIACWWDREDC-FRVQLJSFSA-M
BMGC_DG12079,BMG_DG164664,CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-],,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/p-1/b7-6-,10-9-",OYHQOLUKZRVURQ-HZJYTTRNSA-M
BMGC_DG12080,BMG_DG164667,[Ca],[Ca],InChI=1S/Ca,OYPRJOBELJOOCE-UHFFFAOYSA-N
BMGC_DG12081,BMG_DG164678,C[C@H](C(=O)N[C@H](C)C(=O)O)N,C(=O)([C@H](N)C)N[C@@H](C(=O)O)C,"InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1",DEFJQIDDEAULHB-QWWZWVQMSA-N
BMGC_DG12082,BMG_DG164695,C([C@@H]([C@H](C(=O)O)O)O)O,C([C@H](O)[C@@H](O)CO)(=O)O,"InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1",JPIJQSOTBSSVTP-STHAYSLISA-N
BMGC_DG12083,BMG_DG164697,,,,
BMGC_DG12084,BMG_DG164734,CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+2/p-1",AGVAZMGAQJOSFJ-UHFFFAOYSA-M
BMGC_DG12085,BMG_DG164775,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)([O-])[O-])O)O)O)OP(=O)([O-])[O-],,"InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/p-4/t3-,4-,5+,6-/m1/s1",RNBGYGVWRKECFJ-ARQDHWQXSA-J
BMGC_DG12086,BMG_DG164782,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5[C@H]([C@@H](OC5OC4=C1)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O,,"InChI=1S/C27H29N3O13S/c1-40-13-6-14-19(22-18(13)9-2-4-12(31)17(9)25(39)42-22)20-21(35)27(43-26(20)41-14)44-8-11(23(36)29-7-16(33)34)30-15(32)5-3-10(28)24(37)38/h6,10-11,20-21,26-27,35H,2-5,7-8,28H2,1H3,(H,29,36)(H,30,32)(H,33,34)(H,37,38)/t10?,11?,20?,21-,26?,27+/m1/s1",LYDBAPNRLUDIAS-NCQSKUNESA-N
BMGC_DG12087,BMG_DG164811,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[O-],,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/p-1/b4-3-,7-6-,10-9-",DTOSIQBPPRVQHS-PDBXOOCHSA-M
BMGC_DG12088,BMG_DG164813,CCCCCCCCCCC/C=C\CCCCC(=O)[O-],,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/p-1/b13-12-",CNVZJPUDSLNTQU-SEYXRHQNSA-M
BMGC_DG12089,BMG_DG164821,,O(C[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@H]1O)O)O,,FZWBNHMXJMCXLU-YRBKNLIBSA-N
BMGC_DG12090,BMG_DG164828,CCCCCCCC/C=C/CCCCCCCC(=O)[O-],,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9+",ZQPPMHVWECSIRJ-MDZDMXLPSA-M
BMGC_DG12091,BMG_DG164834,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)N,,"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1",ZKHQWZAMYRWXGA-KQYNXXCUSA-J
BMGC_DG12092,BMG_DG164866,C[N+](C)(C)C/C=C/C(=O)[O-],C(/C=C/C([O-])=O)[N+](C)(C)C,"InChI=1S/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3/b5-4+",GUYHPGUANSLONG-SNAWJCMRSA-N
BMGC_DG12093,BMG_DG164871,[Mg],[Mg],InChI=1S/Mg,FYYHWMGAXLPEAU-UHFFFAOYSA-N
BMGC_DG12094,BMG_DG164885,CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C)CCN3C,[C@@]123c4c5c(OC(=O)C)ccc4C[C@]([C@@]1(C=C[C@@H]([C@@]2(O5)[H])OC(=O)C)[H])(N(CC3)C)[H],"InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1",GVGLGOZIDCSQPN-PVHGPHFFSA-N
BMGC_DG12095,BMG_DG164901,CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4,[C@]123c4c([nH]c(cc4)=O)C[C@@H]([C@]1(CCCN2)[H])C=C(C3)C,"InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/m0/s1",YYWGABLTRMRUIT-HWWQOWPSSA-N
BMGC_DG12096,BMG_DG164906,C[C@H](C(=O)NCC(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)NCCO)NC(=O)[C@H](CC2=CC=C(C=C2)O)N,C[C@@H](NC([C@@H](N)Cc1ccc(O)cc1)=O)C(NCC(N([C@H](C(NCCO)=O)Cc2ccccc2)C)=O)=O,"InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1",HPZJMUBDEAMBFI-WTNAPCKOSA-N
BMGC_DG12097,BMG_DG164907,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCC2=CC=CC=C2)C(=O)O,N1(C([C@@H](N[C@H](C(=O)O)CCc2ccccc2)C)=O)[C@H](C(=O)O)CCC1,"InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1",LZFZMUMEGBBDTC-QEJZJMRPSA-N
BMGC_DG12098,BMG_DG164909,,O([C@H]1C=C[C@]2([H])[C@@]34CCN(C)[C@]2([H])Cc5c3c(c(cc5)O)O[C@]41[H])C,,FNAHUZTWOVOCTL-XSSYPUMDSA-N
BMGC_DG12099,BMG_DG164925,C(=O)(N)/N=N/C(=O)N,C(\N=N\C(=O)N)(=O)N,"InChI=1S/C2H4N4O2/c3-1(7)5-6-2(4)8/h(H2,3,7)(H2,4,8)/b6-5+",XOZUGNYVDXMRKW-AATRIKPKSA-N
BMGC_DG12100,BMG_DG164943,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26-,30-27-",XDSPGKDYYRNYJI-IUPFWZBJSA-N
BMGC_DG12101,BMG_DG164961,,S(c1cc(\N=N\c2c3c(cccc3)ccc2N)ccc1/C=C/c4c(S(=O)(=O)O)cc(\N=N\c5c6c(cccc6)ccc5N)cc4)(=O)(=O)O,,ANGMGEOZQHWOBK-NKPXSSHVSA-N
BMGC_DG12102,BMG_DG164986,C1CC[C@@]23CCN[C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O,C1[C@]23CCCC[C@@]2([H])[C@H](NC1)Cc4ccc(O)cc43,"InChI=1S/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/t13-,15+,16+/m0/s1",IYNWSQDZXMGGGI-NUEKZKHPSA-N
BMGC_DG12103,BMG_DG165020,C1CC2=CC=CC=C2N(C(=O)[C@H]1N[C@@H](CCC3=CC=CC=C3)C(=O)O)CC(=O)O,N1(C([C@@H](N[C@H](C(=O)O)CCc2ccccc2)CCc3c1cccc3)=O)CC(=O)O,"InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1",MADRIHWFJGRSBP-ROUUACIJSA-N
BMGC_DG12104,BMG_DG165026,CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CC=C(C)C)O)C,CC(C)=CCc1c(O)cc2oc3cc(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O,"InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3",VEZXFTKZUMARDU-UHFFFAOYSA-N
BMGC_DG12105,BMG_DG165031,C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O,N1([C@@H](C[C@]2([C@@]1(CCC2)[H])[H])C(=O)O)C([C@@H](N[C@H](C(=O)O)CCc3ccccc3)C)=O,"InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1",KEDYTOTWMPBSLG-HILJTLORSA-N
BMGC_DG12106,BMG_DG165032,C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O,C[C@@H](C(=O)N1[C@@]2([H])CCCC[C@]2([H])C[C@H]1C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O,"InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29)/t14-,16+,17-,18-,19-/m0/s1",AHYHTSYNOHNUSH-HXFGRODQSA-N
BMGC_DG12107,BMG_DG165060,CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)N(C)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)O)C(C)C,N(Cc1ccccn1)C([C@@H](NC([C@@H](C[C@@H]([C@@H](NC([C@@H](N(C)C([C@@H](NC([C@H]2N(CCC2)C(=O)OC(C)(C)C)=O)Cc3ccccc3)=O)Cc4cnc[nH]4)=O)CC(C)C)O)C(C)C)=O)[C@@H](C)CC)=O,"InChI=1S/C50H75N9O8/c1-11-33(6)43(47(64)53-29-35-20-15-16-22-52-35)57-44(61)37(32(4)5)27-42(60)38(24-31(2)3)55-46(63)41(26-36-28-51-30-54-36)58(10)48(65)39(25-34-18-13-12-14-19-34)56-45(62)40-21-17-23-59(40)49(66)67-50(7,8)9/h12-16,18-20,22,28,30-33,37-43,60H,11,17,21,23-27,29H2,1-10H3,(H,51,54)(H,53,64)(H,55,63)(H,56,62)(H,57,61)/t33-,37-,38-,39-,40-,41-,42-,43-/m0/s1",SASWSEQJAITMKS-JJNNLWIXSA-N
BMGC_DG12108,BMG_DG165078,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@@H](CN(C2=O)C)C(=O)O,c1(ccccc1)CC[C@H](N[C@H](C(N2C(=O)N(C[C@H]2C(O)=O)C)=O)C)C(=O)OCC,"InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1",KLZWOWYOHUKJIG-BPUTZDHNSA-N
BMGC_DG12109,BMG_DG165079,C[C@@H](C(=O)N1[C@@H](CN(C1=O)C)C(=O)O)N[C@@H](CCC2=CC=CC=C2)C(=O)O,c1(ccccc1)CC[C@@H](C(O)=O)N[C@H](C(N2C(N(C[C@H]2C(O)=O)C)=O)=O)C,"InChI=1S/C18H23N3O6/c1-11(15(22)21-14(17(25)26)10-20(2)18(21)27)19-13(16(23)24)9-8-12-6-4-3-5-7-12/h3-7,11,13-14,19H,8-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,13-,14-/m0/s1",VFAVNRVDTAPBNR-UBHSHLNASA-N
BMGC_DG12110,BMG_DG165083,COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)OC)O,COc1cc(c2c(c1)oc(cc2=O)-c3ccc(c(c3)OC)O)O,"InChI=1S/C17H14O6/c1-21-10-6-12(19)17-13(20)8-14(23-16(17)7-10)9-3-4-11(18)15(5-9)22-2/h3-8,18-19H,1-2H3",ROCUOVBWAWAQFD-UHFFFAOYSA-N
BMGC_DG12111,BMG_DG165114,,c1(cc2c(c(O)ccc2O)cc(c1=O)Cc3ccc(cc3)N(C)C)Cc4ccc(cc4)N(C)C,,ZKHPWXJFZAWDGA-UHFFFAOYSA-N
BMGC_DG12112,BMG_DG165116,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O,O=c1c(-c2ccc(O)cc2)coc3c(O)c(O)ccc13,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H",BMZFZTMWBCFKSS-UHFFFAOYSA-N
BMGC_DG12113,BMG_DG165123,CCN(CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)OC,S(c1cc(C(=O)NCCN(CC)CC)c(cc1)OC)(=O)(=O)C,"InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)",JTVPZMFULRWINT-UHFFFAOYSA-N
BMGC_DG12114,BMG_DG165124,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,C1(=C([C@]([C@@H](O)CO)([H])OC1=O)O)O,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1",CIWBSHSKHKDKBQ-JLAZNSOCSA-N
BMGC_DG12115,BMG_DG165126,CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F,N(C(c1nc(c(c(n1C)=O)O)C(NCc2ccc(cc2)F)=O)(C)C)C(c3oc(nn3)C)=O,"InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)",CZFFBEXEKNGXKS-UHFFFAOYSA-N
BMGC_DG12116,BMG_DG165127,C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O,[C@@]12([C@]([C@H](N(C)C)C(=C(C1=O)C(=O)N)O)([C@@H](O)[C@]3(C(=C2O)C(c4c(O)cccc4[C@@H]3C)=O)[H])[H])O,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1",JBIWCJUYHHGXTC-AKNGSSGZSA-N;SGKRLCUYIXIAHR-AKNGSSGZSA-N
BMGC_DG12117,BMG_DG165143,COC(=O)NC1=C(N=C(N=C1N)C2=NN(C3=C2C=C(C=N3)F)CC4=CC=CC=C4F)N,C(Nc1c(nc(nc1N)-c2nn(c3c2cc(cn3)F)Cc4c(cccc4)F)N)(=O)OC,"InChI=1S/C19H16F2N8O2/c1-31-19(30)25-14-15(22)26-17(27-16(14)23)13-11-6-10(20)7-24-18(11)29(28-13)8-9-4-2-3-5-12(9)21/h2-7H,8H2,1H3,(H,25,30)(H4,22,23,26,27)",QZFHIXARHDBPBY-UHFFFAOYSA-N
BMGC_DG12118,BMG_DG165144,,C(\C(=O)c1ccc(cc1)O)=C/c2ccc(cc2)O,,FZQLEXXZAVVCCA-XCVCLJGOSA-N
BMGC_DG12119,BMG_DG165150,CC1=CC(=CC(=O)O1)O,c1(cc(oc(c1)=O)C)O,"InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3",NSYSSMYQPLSPOD-UHFFFAOYSA-N
BMGC_DG12120,BMG_DG165154,CC1=C(C=CC2=C1OC(=O)C(=C2O)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O,c1(c(c2c(c(c(O[C@H]3[C@@H]([C@H](OC(=O)N)[C@H](C(O3)(C)C)OC)O)cc2)C)oc1=O)O)NC(c4cc(CC=C(C)C)c(cc4)O)=O,"InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1",YJQPYGGHQPGBLI-KGSXXDOSSA-N
BMGC_DG12121,BMG_DG165156,C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O,[C@]12(C(=O)C(C(=O)N)=C([C@H]([C@@]1(C[C@@]3([C@@](c4cccc(c4C(C3=C2O)=O)O)(O)C)[H])[H])N(C)C)O)O,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1",NWXMGUDVXFXRIG-WESIUVDSSA-N;OFVLGDICTFRJMM-WESIUVDSSA-N
BMGC_DG12122,BMG_DG165157,C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O,[C@@]12(C(=C3C(c4c(ccc(c4[C@]([C@]3(C[C@]1([C@@H](C(O)=C(C2=O)C(=O)N)N(C)C)[H])[H])(O)C)Cl)O)=O)O)O,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1",CYDMQBQPVICBEU-XRNKAMNCSA-N;DHPRQBPJLMKORJ-XRNKAMNCSA-N
BMGC_DG12123,BMG_DG165158,C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O,[C@@]12([C@]([C@H](N(C)C)C(=C(C1=O)C(=O)N)O)([C@@H](O)[C@]3(C(=C2O)C(c4c(cccc4O)[C@]3(O)C)=O)[H])[H])O,"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1",OWFJMIVZYSDULZ-PXOLEDIWSA-N;IWVCMVBTMGNXQD-PXOLEDIWSA-N
BMGC_DG12124,BMG_DG165159,CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C,[C@@]12(C(=C3C(c4c(ccc(c4C[C@]3(C[C@]1([C@@H](C(O)=C(C2=O)C(=O)N)N(C)C)[H])[H])N(C)C)O)=O)O)O,"InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1",FFTVPQUHLQBXQZ-KVUCHLLUSA-N;DYKFCLLONBREIL-KVUCHLLUSA-N
BMGC_DG12125,BMG_DG165160,CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O,[C@@]12([C@]([C@H](N(C)C)C(=C(C1=O)C(=O)N)O)([C@@H](O)[C@]3(C(=C2O)C(c4c(cccc4O)C3=C)=O)[H])[H])O,"InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,14-15,17,25-27,30,32H,1H2,2-3H3,(H2,23,31)/t10-,14-,15+,17+,22+/m1/s1",XIYOPDCBBDCGOE-IWVLMIASSA-N;MHIGBKBJSQVXNH-IWVLMIASSA-N
BMGC_DG12126,BMG_DG165172,C1=CC(=CC=C1C(=O)O)[O-],C(c1ccc(O)cc1)(=O)[O-],"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/p-1",FJKROLUGYXJWQN-UHFFFAOYSA-M
BMGC_DG12127,BMG_DG165188,C1=CC=C(C(=C1)C(=O)O)[O-],,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1",YGSDEFSMJLZEOE-UHFFFAOYSA-M
BMGC_DG12128,BMG_DG165195,COC1=C(C=CC(=C1)C(=O)O)[O-],,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1",WKOLLVMJNQIZCI-UHFFFAOYSA-M
BMGC_DG12129,BMG_DG165202,C1=CC(=C(C=C1C(=O)O)O)[O-],,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)/p-1",YQUVCSBJEUQKSH-UHFFFAOYSA-M
BMGC_DG12130,BMG_DG165214,C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O,c1(c(c2ccccc2oc1=O)O)Cc3c(c4ccccc4oc3=O)O,"InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2",DOBMPNYZJYQDGZ-UHFFFAOYSA-N
BMGC_DG12131,BMG_DG165217,CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3,S1(N(C(C(Nc2ncccc2)=O)=C(c3c1cccc3)O)C)(=O)=O,"InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)",QYSPLQLAKJAUJT-UHFFFAOYSA-N
BMGC_DG12132,BMG_DG165221,CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N(C)C3=CC=CC=C3)O,c1(c(n(C)c2c(c1O)cccc2)=O)C(N(c3ccccc3)C)=O,"InChI=1S/C18H16N2O3/c1-19(12-8-4-3-5-9-12)17(22)15-16(21)13-10-6-7-11-14(13)20(2)18(15)23/h3-11,21H,1-2H3",SGOOQMRIPALTEL-UHFFFAOYSA-N
BMGC_DG12133,BMG_DG165224,CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3OC2=O)O,c1(c(c2ccccc2oc1=O)O)C(c3ccc([N+]([O-])=O)cc3)CC(=O)C,"InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3",VABCILAOYCMVPS-UHFFFAOYSA-N
BMGC_DG12134,BMG_DG165226,CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)C4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O,[C@@]12([C@]([C@H](N(C)C)C(=C(C1=O)C(=O)N)O)([C@@H](O)[C@]3(C(=C2O)C(c4c(c(ccc4O)Cl)C3=C)=O)[H])[H])O,"InChI=1S/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,14-15,17,26-28,31,33H,1H2,2-3H3,(H2,24,32)/t10-,14-,15+,17+,22+/m1/s1",RNIADBXQDMCFEN-IWVLMIASSA-N;GGQJXCQBBONZFX-IWVLMIASSA-N
BMGC_DG12135,BMG_DG165230,,,,
BMGC_DG12136,BMG_DG165247,CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O,S1(N(C(C(Nc2ncc(s2)C)=O)=C(c3c1cccc3)O)C)(=O)=O,"InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)",ZRVUJXDFFKFLMG-UHFFFAOYSA-N
BMGC_DG12137,BMG_DG165248,CC(C)N1C2=C(C=CS2)C(=C(C1=O)C(=O)NCCCN3CCCCC3)O,c12c(c(c(c(n1C(C)C)=O)C(=O)NCCCN3CCCCC3)O)ccs2,"InChI=1S/C19H27N3O3S/c1-13(2)22-18(25)15(16(23)14-7-12-26-19(14)22)17(24)20-8-6-11-21-9-4-3-5-10-21/h7,12-13,23H,3-6,8-11H2,1-2H3,(H,20,24)",SCHKZZSVELPJKU-UHFFFAOYSA-N
BMGC_DG12138,BMG_DG165251,,O=C1c2c(NC(=O)C1O)cccc2,,MAONSQZXJSFORA-UHFFFAOYSA-N
BMGC_DG12139,BMG_DG165253,CCN(C1=CC=CC=C1)C(=O)C2=C(C3=C(C=CC=C3Cl)N(C2=O)C)O,c1ccc(c2c(O)c(C(N(CC)c3ccccc3)=O)c(=O)n(c12)C)Cl,"InChI=1S/C19H17ClN2O3/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24/h4-11,23H,3H2,1-2H3",GKWPCEFFIHSJOE-UHFFFAOYSA-N
BMGC_DG12140,BMG_DG165254,CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3,S1(c2c(scc2)C(=C(N1C)C(Nc3ncccc3)=O)O)(=O)=O,"InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,17H,1H3,(H,14,15,18)",LZNWYQJJBLGYLT-UHFFFAOYSA-N
BMGC_DG12141,BMG_DG165255,CC1=CC(=NO1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O,S1(N(C(C(Nc2noc(c2)C)=O)=C(c3c1cccc3)O)C)(=O)=O,"InChI=1S/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19)",YYUAYBYLJSNDCX-UHFFFAOYSA-N
BMGC_DG12142,BMG_DG165270,CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O,c1(c(c2ccccc2oc1=O)O)C(CC(=O)C)c3ccccc3,"InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3",PJVWKTKQMONHTI-UHFFFAOYSA-N
BMGC_DG12143,BMG_DG165274,,C(C1C(c2c(cccc2)OC1=O)=O)(C3C(c4c(cccc4)OC3=O)=O)c5ccc(Cl)cc5,,XANMEWXFGRCCQH-UHFFFAOYSA-N
BMGC_DG12144,BMG_DG165281,C1[C@@H]2CC3=C(C(=CC=C3)O)C(=C2C(=O)[C@]4([C@@H]1CC(=O)C(=C4O)C(=O)N)O)O,[C@@]12(C(O)=C3C(c4c(O)cccc4C[C@]3(C[C@]1(CC(O)=C(C(=O)N)C2=O)[H])[H])=O)O,"InChI=1S/C19H17NO7/c20-18(26)14-11(22)6-9-5-8-4-7-2-1-3-10(21)12(7)15(23)13(8)16(24)19(9,27)17(14)25/h1-3,8-9,21,23,25,27H,4-6H2,(H2,20,26)/t8-,9-,19-/m0/s1",NBRQRXRBIHVLGI-OWXODZSWSA-N;ZXFCRFYULUUSDW-OWXODZSWSA-N
BMGC_DG12145,BMG_DG165282,CCCCCCCC1=CC(=CC(=O)O1)O,,"InChI=1S/C12H18O3/c1-2-3-4-5-6-7-11-8-10(13)9-12(14)15-11/h8-9,13H,2-7H2,1H3",DYBQTVWGTMHKLN-UHFFFAOYSA-N
BMGC_DG12146,BMG_DG165286,C[C@@]1([C@H]2C[C@H]3CC(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)O,,"InChI=1S/C20H19NO8/c1-19(28)8-3-2-4-10(22)12(8)15(24)13-9(19)5-7-6-11(23)14(18(21)27)17(26)20(7,29)16(13)25/h2-4,7,9,22,24,26,28-29H,5-6H2,1H3,(H2,21,27)/t7-,9-,19+,20-/m0/s1",XCCHQGIGHCRZOS-KBKZQPOHSA-N
BMGC_DG12147,BMG_DG165289,C1=C(C(=CNC1=O)Cl)O,c1c(c(cc([nH]1)=O)O)Cl,"InChI=1S/C5H4ClNO2/c6-3-2-7-5(9)1-4(3)8/h1-2H,(H2,7,8,9)",ZPLQIPFOCGIIHV-UHFFFAOYSA-N
BMGC_DG12148,BMG_DG165295,,S1(N(C(=C(c2c1cccc2)O)C(=O)OCC)C)(=O)=O,,QWTNANUGXZEPFQ-UHFFFAOYSA-N
BMGC_DG12149,BMG_DG165301,CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)O,O=C(c1ccccc1)c2sc(cc2)C(C(=O)O)C,"InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)",GUHPRPJDBZHYCJ-UHFFFAOYSA-N
BMGC_DG12150,BMG_DG165309,CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O,C(OC[C@@H]([C@@]1(C(=C(C(O1)=O)O)O)[H])O)(=O)CCCCCCCCCCCCCCC,"InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3/t17-,21+/m0/s1",QAQJMLQRFWZOBN-LAUBAEHRSA-N
BMGC_DG12151,BMG_DG165310,C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)NCO)N(C)C)O,c1c(O)c2c(c(Cl)c1)[C@]([C@@]3(C(C2=O)=C(O)[C@]4([C@](C3)([H])[C@@H](C(=C(C4=O)C(NCO)=O)O)N(C)C)O)[H])(O)C,"InChI=1S/C23H25ClN2O9/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22/h4-5,8-9,16,27-29,32,34-35H,6-7H2,1-3H3,(H,25,33)/t8-,9-,16-,22-,23-/m0/s1",GJGDLRSSCNAKGL-KMVLDZISSA-N;BXTHDFJCJQJHKD-KMVLDZISSA-N
BMGC_DG12152,BMG_DG165311,C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)Br,c1ccc2c(c1)oc(c(c2O)C3CC(Cc4c3cccc4)c5ccc(cc5)-c6ccc(cc6)Br)=O,"InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2",VEUZZDOCACZPRY-UHFFFAOYSA-N
BMGC_DG12153,BMG_DG165312,CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](C4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O,[C@@]12(C(=C3C(c4c(ccc(c4[C@H]([C@]3(C[C@]1([C@@H](C(O)=C(C2=O)C(=O)N)N(C)C)[H])[H])O)Cl)O)=O)O)O,"InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14-,15-,21-/m0/s1",GUXHBMASAHGULD-SEYHBJAFSA-N;FMTDIUIBLCQGJB-SEYHBJAFSA-N
BMGC_DG12154,BMG_DG165314,CCC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O,c1(c(oc2c(c1O)cccc2)=O)C(c3ccccc3)CC,"InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3",DQDAYGNAKTZFIW-UHFFFAOYSA-N
BMGC_DG12155,BMG_DG165329,,OS(=O)(=O)c1cc(NC(c2cc(S(O)(=O)=O)c3cccnc3c2O)=O)ccc1/C=C/c4ccc(cc4S(O)(=O)=O)NC(=O)c5c(c6c(c(c5)S(=O)(=O)O)cccn6)O,,NNHYHQPZMITHQP-AATRIKPKSA-N
BMGC_DG12156,BMG_DG165332,CC[C@H](C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O,c1(c(oc2c(c1O)cccc2)=O)[C@@H](c3ccccc3)CC,"InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3/t13-/m1/s1",DQDAYGNAKTZFIW-CYBMUJFWSA-N
BMGC_DG12157,BMG_DG165333,CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)CN(C)OC,C1(C(=C([C@H]([C@@]2(C[C@@]3(Cc4c(ccc(c4C(C3=C([C@@]21O)O)=O)O)CN(C)OC)[H])[H])N(C)C)O)C(=O)N)=O,"InChI=1S/C24H29N3O8/c1-26(2)18-13-8-11-7-12-10(9-27(3)35-4)5-6-14(28)16(12)19(29)15(11)21(31)24(13,34)22(32)17(20(18)30)23(25)33/h5-6,11,13,18,28-29,32,34H,7-9H2,1-4H3,(H2,25,33)/t11-,13-,18-,24-/m0/s1",PQJQFLNBMSCUSH-SBAJWEJLSA-N;AYUMVPHUMFKFPJ-SBAJWEJLSA-N
BMGC_DG12158,BMG_DG165335,C[N+](C)(C)CCO.C1=CC=C(C(=C1)C(=O)O)[O-].C1=CC=C(C(=C1)C(=O)O)[O-].C1=CC=C(C(=C1)C(=O)O)[O-].[Mg+2],[Mg+2].[N+](C)(C)(C)CCO.c1c(c(ccc1)O)C([O-])=O.c1c(c(ccc1)O)C([O-])=O.c1c(c(ccc1)O)C([O-])=O,"InChI=1S/3C7H6O3.C5H14NO.Mg/c3*8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7;/h3*1-4,8H,(H,9,10);7H,4-5H2,1-3H3;/q;;;+1;+2/p-3",FQCQGOZEWWPOKI-UHFFFAOYSA-K
BMGC_DG12159,BMG_DG165344,CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4,c1(NS(c2ccc(cn2)C(F)(F)F)(=O)=O)cccc(c1)[C@H](C3=C(O)C[C@](OC3=O)(CCc4ccccc4)CCC)CC,"InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1",SUJUHGSWHZTSEU-FYBSXPHGSA-N
BMGC_DG12160,BMG_DG165346,,C=1(C(N2[C@](C1O)([C@@]3([C@@](Cc4c5c3c[nH]c5ccc4)(C2(C)C)[H])[H])[H])=O)C(=O)C,,SZINUGQCTHLQAZ-DQYPLSBCSA-N
BMGC_DG12161,BMG_DG165356,C([C@@H]([C@@H]1C(=C(C(=O)O1)[O-])O)O)O.C([C@@H]([C@@H]1C(=C(C(=O)O1)[O-])O)O)O.[Mg+2],[Mg+2].C1(O)=C([O-])[C@@]([H])([C@@H](O)CO)OC1=O.C1(O)=C([O-])[C@@]([H])([C@@H](O)CO)OC1=O,"InChI=1S/2C6H8O6.Mg/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*2,5,7-10H,1H2;/q;;+2/p-2/t2*2-,5+;/m00./s1",AIOKQVJVNPDJKA-ZZMNMWMASA-L
BMGC_DG12162,BMG_DG165365,CN1C2=C(C(=CC=C2)OC)C(=C(C1=O)C(=O)N(C)C3=CC=C(C=C3)C(F)(F)F)O,c1ccc2n(c(c(c(c2c1OC)O)C(=O)N(c3ccc(cc3)C(F)(F)F)C)=O)C,"InChI=1S/C20H17F3N2O4/c1-24(12-9-7-11(8-10-12)20(21,22)23)18(27)16-17(26)15-13(25(2)19(16)28)5-4-6-14(15)29-3/h4-10,26H,1-3H3",ONDYALNGTUAJDX-UHFFFAOYSA-N
BMGC_DG12163,BMG_DG165366,C1=CC=C2C(=C1)C(=CC(=O)O2)O,c12c(oc(=O)cc1O)cccc2,"InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H",VXIXUWQIVKSKSA-UHFFFAOYSA-N
BMGC_DG12164,BMG_DG165368,C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCN5CCCC5)N(C)C)O,[C@@]12(C(=C3C(c4c(O)cccc4[C@]([C@]3(C[C@]1([C@@H](C(O)=C(C2=O)C(NCN5CCCC5)=O)N(C)C)[H])[H])(O)C)=O)O)O,"InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,20,31-32,35,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14-,15-,20-,26+,27-/m0/s1",IKQRPFTXKQQLJF-IAHYZSEUSA-N;HMEYVGGHISAPJR-IAHYZSEUSA-N
BMGC_DG12165,BMG_DG165383,C/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)C(F)(F)F)/O,c1cc(ccc1C(F)(F)F)NC(=O)\C(=C(\C)/O)\C#N,"InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-",UTNUDOFZCWSZMS-YFHOEESVSA-N
BMGC_DG12166,BMG_DG165393,C1=CC=C(C(=C1)C(=O)O)[O-].C1=CC=C(C(=C1)C(=O)O)[O-].[Mg+2],c1(C([O-])=O)c(O)cccc1.[Mg+2].c1(C([O-])=O)c(O)cccc1,"InChI=1S/2C7H6O3.Mg/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2",MQHWFIOJQSCFNM-UHFFFAOYSA-L
BMGC_DG12167,BMG_DG165394,CC(=O)C[C@H](C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O,c1(c(c2ccccc2oc1=O)O)[C@H](CC(=O)C)c3ccccc3,"InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m1/s1",PJVWKTKQMONHTI-OAHLLOKOSA-N
BMGC_DG12168,BMG_DG165398,CCC1=C2C(=CC=C1)N(C(=O)C(=C2O)C(=O)N(CC)C3=CC=CC=C3)C,c1cc2c(c(c1)CC)c(c(c(n2C)=O)C(N(c3ccccc3)CC)=O)O,"InChI=1S/C21H22N2O3/c1-4-14-10-9-13-16-17(14)19(24)18(20(25)22(16)3)21(26)23(5-2)15-11-7-6-8-12-15/h6-13,24H,4-5H2,1-3H3",DIKSYHCCYVYKRO-UHFFFAOYSA-N
BMGC_DG12169,BMG_DG165407,CC(=CCC[C@@](C)(C=C)/C=C/C1=CC=C(C=C1)O)C,C(=C/c1ccc(cc1)O)\[C@](C=C)(CCC=C(C)C)C,"InChI=1S/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,7-12,14,19H,1,6,13H2,2-4H3/b14-12+/t18-/m1/s1",LFYJSSARVMHQJB-QIXNEVBVSA-N
BMGC_DG12170,BMG_DG165410,CCOC(=O)C(C1=C(C2=CC=CC=C2OC1=O)O)C3=C(C4=CC=CC=C4OC3=O)O,c1(c(c2ccccc2oc1=O)O)C(c3c(c4ccccc4oc3=O)O)C(=O)OCC,"InChI=1S/C22H16O8/c1-2-28-20(25)15(16-18(23)11-7-3-5-9-13(11)29-21(16)26)17-19(24)12-8-4-6-10-14(12)30-22(17)27/h3-10,15,23-24H,2H2,1H3",JCLHQFUTFHUXNN-UHFFFAOYSA-N
BMGC_DG12171,BMG_DG165415,C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl,Cl.[C@@]12([C@]([C@H](N(C)C)C(=C(C1=O)C(=O)N)O)([C@@H](O)[C@]3(C(=C2O)C(c4c(O)cccc4[C@@H]3C)=O)[H])[H])O,"InChI=1S/C22H24N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);1H/t7-,10+,14+,15-,17-,22-;/m0./s1",RUYHIJHUVHIMIR-CVHRZJFOSA-N;PTNZGHXUZDHMIQ-CVHRZJFOSA-N
BMGC_DG12172,BMG_DG165420,,O=c1oc2ccccc2c(O)c1Cc3ccccc3,,AEIVRFFWQSJCAR-UHFFFAOYSA-N
BMGC_DG12173,BMG_DG165422,CCO.C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O.Cl.Cl,[C@@]12([C@]([H])([C@@H](C(O)=C(C1=O)C(N)=O)N(C)C)[C@@H](O)[C@@]3([H])C(=C2O)C(c4c(cccc4O)[C@@H]3C)=O)O.Cl.CCO.O.[C@@]12([C@]([H])([C@@H](C(=C(C1=O)C(N)=O)O)N(C)C)[C@H]([C@]3(C(=C2O)C(c4c(cccc4O)[C@@H]3C)=O)[H])O)O.Cl,"InChI=1S/2C22H24N2O8.C2H6O.2ClH.H2O/c2*1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;1-2-3;;;/h2*4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);3H,2H2,1H3;2*1H;1H2/t2*7-,10+,14+,15-,17-,22-;;;;/m00..../s1",UHHHTIKWXBRCLT-VDBOFHIQSA-N;HALQELOKLVRWRI-VDBOFHIQSA-N
BMGC_DG12174,BMG_DG165424,C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCN5CCN(CC5)CCO)N(C)C)O.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C,c1ccc2[C@](O)(C)[C@]3([H])C(C(c2c1O)=O)=C(O)[C@]4(O)C(=O)C(C(NCN5CCN(CC5)CCO)=O)=C(O)[C@@H](N(C)C)[C@@]4(C3)[H].C1([C@]([C@@]2(N1[C@H](C(S2)(C)C)C(O)=O)[H])(NC(COc3ccccc3)=O)[H])=O,"InChI=1S/C29H38N4O9.C16H18N2O5S/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34;1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h4-6,16-17,22,34-36,39,41-42H,7-14H2,1-3H3,(H,30,40);3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t16-,17-,22-,28+,29-;11-,12+,14-/m01/s1",JEZCGXYYROUJIH-VNYBMUHKSA-N;MEGKRPMNPGTIIG-VNYBMUHKSA-N
BMGC_DG12175,BMG_DG165432,C[N+](C)(C)CCO.C1=CC=C(C(=C1)C(=O)O)[O-],c1(ccccc1O)C([O-])=O.[N+](CCO)(C)(C)C,"InChI=1S/C7H6O3.C5H14NO/c8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7/h1-4,8H,(H,9,10);7H,4-5H2,1-3H3/q;+1/p-1",UDKCHVLMFQVBAA-UHFFFAOYSA-M
BMGC_DG12176,BMG_DG165444,CCCCCC1=CC(=CC(=O)O1)O,,"InChI=1S/C10H14O3/c1-2-3-4-5-9-6-8(11)7-10(12)13-9/h6-7,11H,2-5H2,1H3",YIXLDRQOKWESBI-UHFFFAOYSA-N
BMGC_DG12177,BMG_DG165446,C#CCC/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)C(F)(F)F)/O,c1cc(ccc1NC(/C(=C(/CCC#C)\O)/C#N)=O)C(F)(F)F,"InChI=1S/C15H11F3N2O2/c1-2-3-4-13(21)12(9-19)14(22)20-11-7-5-10(6-8-11)15(16,17)18/h1,5-8,21H,3-4H2,(H,20,22)/b13-12-",IRELROQHIPLASX-SEYXRHQNSA-N
BMGC_DG12178,BMG_DG165450,CC(C)(C)NCC(=O)NC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C,[C@@]12(C(=C3C(c4c(c(NC(=O)CNC(C)(C)C)cc(c4C[C@]3(C[C@]1([C@@H](C(O)=C(C2=O)C(=O)N)N(C)C)[H])[H])N(C)C)O)=O)O)O,"InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36-37,40,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1",SOVUOXKZCCAWOJ-HJYUBDRYSA-N;FPZLLRFZJZRHSY-HJYUBDRYSA-N
BMGC_DG12179,BMG_DG165452,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O,C=12[C@]([C@@H](OC(=O)[C@H](CC)C)C[C@@H](C1)O)([C@@H](CC[C@H](C[C@H](CC(O)=O)O)O)[C@H](C=C2)C)[H],"InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1",TUZYXOIXSAXUGO-PZAWKZKUSA-N
BMGC_DG12180,BMG_DG165481,,,,
BMGC_DG12181,BMG_DG165507,CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3,S1(c2c(sc(c2)Cl)C(=C(N1C)C(Nc3ncccc3)=O)O)(=O)=O,"InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19)",WLHQHAUOOXYABV-UHFFFAOYSA-N
BMGC_DG12182,BMG_DG165573,,C1(C(OC(OC1=O)(C)C)=O)=C(O)C,,WIIDJHLROTYVRD-UHFFFAOYSA-N
BMGC_DG12183,BMG_DG165574,CC(=CCC/C(=C/CC/C(=C/CSC1=CC=CC=C1C(=O)O)/C)/C)C,c1cc(SC/C=C(\C)/CC/C=C(/CCC=C(C)C)\C)c(cc1)C(O)=O,"InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)/b18-11+,19-15+",WUILNKCFCLNXOK-CFBAGHHKSA-N
BMGC_DG12184,BMG_DG165588,CC1=C2C(=CC(=O)N(C2=NC(=N1)C)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)O,C(n1c2c(c(O)cc1=O)c(C)nc(C)n2)c3ccc(cc3)-c4c(cccc4)-c5[nH]nnn5,"InChI=1S/C23H19N7O2/c1-13-21-19(31)11-20(32)30(23(21)25-14(2)24-13)12-15-7-9-16(10-8-15)17-5-3-4-6-18(17)22-26-28-29-27-22/h3-11,31H,12H2,1-2H3,(H,26,27,28,29)",YROKAAIPBSCMJN-UHFFFAOYSA-N
BMGC_DG12185,BMG_DG165589,CCCCCCCCCCCC1=CC(=CC(=O)O1)O,,"InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-15-12-14(17)13-16(18)19-15/h12-13,17H,2-11H2,1H3",UHXLJSSQRSIPND-UHFFFAOYSA-N
BMGC_DG12186,BMG_DG165593,COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O,c1(c(ccc(\C=C\C(CC(/C=C/c2ccc(cc2)O)=O)=O)c1)O)OC,"InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+",HJTVQHVGMGKONQ-LUZURFALSA-N
BMGC_DG12187,BMG_DG165594,,Oc1cc(ccc1O)/C=C/C(CC(=O)/C=C/c2ccc(O)c(O)c2)=O,,OJFGQVZAISEIPG-IJIVKGSJSA-N
BMGC_DG12188,BMG_DG165610,,Cn1c(=O)c(O)c(O)c2ccccc12,,BDLJEQMXDNMETQ-UHFFFAOYSA-N
BMGC_DG12189,BMG_DG165612,CCCCCC/C=C\CCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O,,"InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-",MBYNDKVOZOAOIS-FPLPWBNLSA-N
BMGC_DG12190,BMG_DG165616,CC(C)(C)CNCC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C,c1(c(c2c(c(c1)N(C)C)C[C@@]3(C(=C(O)[C@]4([C@](C3)([H])[C@H](N(C)C)C(=C(C(N)=O)C4=O)O)O)C2=O)[H])O)CNCC(C)(C)C,"InChI=1S/C29H40N4O7/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34/h10,13,16,21,31,34-35,38,40H,8-9,11-12H2,1-7H3,(H2,30,39)/t13-,16-,21-,29-/m0/s1",JEECQCWWSTZDCK-IQZGDKDPSA-N;VJYKVCURWJGLPG-IQZGDKDPSA-N
BMGC_DG12191,BMG_DG165622,,,,
BMGC_DG12192,BMG_DG165634,C1=CC(=C(C=C1CC(=O)O)O)O,c1(c(ccc(c1)CC(=O)O)O)O,"InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)",CFFZDZCDUFSOFZ-UHFFFAOYSA-N
BMGC_DG12193,BMG_DG165635,C/C/1=C\CC(/C=C/C(=O)/C(=C/CC1)/C)(C)C,,"InChI=1S/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3/b11-9+,12-8+,13-7+",GIHNTRQPEMKFKO-SKTNYSRSSA-N
BMGC_DG12194,BMG_DG165658,,,,
BMGC_DG12195,BMG_DG165666,C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCNCCCC[C@@H](C(=O)O)N)N(C)C)O,[C@@]12(C[C@@]3([C@](c4cccc(c4C(C3=C([C@@]2(C(C(C(NCNCCCC[C@H](N)C(O)=O)=O)=C([C@H]1N(C)C)O)=O)O)O)=O)O)(C)O)[H])[H],"InChI=1S/C29H38N4O10/c1-28(42)13-7-6-9-17(34)18(13)22(35)19-14(28)11-15-21(33(2)3)23(36)20(25(38)29(15,43)24(19)37)26(39)32-12-31-10-5-4-8-16(30)27(40)41/h6-7,9,14-16,21,31,34-35,38,42-43H,4-5,8,10-12,30H2,1-3H3,(H,32,39)(H,40,41)/t14-,15-,16-,21-,28+,29-/m0/s1",AHEVKYYGXVEWNO-UEPZRUIBSA-N;PZTCVADFMACKLU-UEPZRUIBSA-N
BMGC_DG12196,BMG_DG165675,COC1=C(C=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)O)OC)/CC2)O,,"InChI=1S/C21H20O5/c1-25-19-11-13(3-7-17(19)22)9-15-5-6-16(21(15)24)10-14-4-8-18(23)20(12-14)26-2/h3-4,7-12,22-23H,5-6H2,1-2H3/b15-9+,16-10+",NZSRSKNDCCSSGY-KAVGSWPWSA-N
BMGC_DG12197,BMG_DG165676,C1=CC=C2C(=C1)C(=C(C(=O)O2)C(CC(C3=CC=C(C=C3)Cl)O)C4=CC=C(S4)Cl)O,C(O)(c1ccc(cc1)Cl)CC(c2c(c3ccccc3oc2=O)O)c4ccc(s4)Cl,"InChI=1S/C22H16Cl2O4S/c23-13-7-5-12(6-8-13)16(25)11-15(18-9-10-19(24)29-18)20-21(26)14-3-1-2-4-17(14)28-22(20)27/h1-10,15-16,25-26H,11H2",WRGOVNKNTPWHLZ-UHFFFAOYSA-N
BMGC_DG12198,BMG_DG165678,,c12c(c(c(c([nH]1)=O)C#N)O)c(cs2)-c3ccc(cc3)-c4c(cccc4)O,,CTESJDQKVOEUOY-UHFFFAOYSA-N
BMGC_DG12199,BMG_DG165681,,,,
BMGC_DG12200,BMG_DG165686,C[C@H]1[C@H]2C=C[C@@]3(CO3)[C@](O2)(O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=C\4/C(=O)[C@@H](N(C4=O)[C@@H]5CC[C@@H]([C@@H](O5)C)O)[C@H](C)C(=O)NC)/O)C,N1([C@H](C(/C(/C1=O)=C(/C=C/C(=C/[C@@H](C)[C@H]2O[C@@]3([C@]4(C=C[C@H]([C@@H]2C)O3)OC4)C)/C)\O)=O)[C@@H](C(=O)NC)C)[C@@H]5CC[C@@H]([C@@H](O5)C)O,"InChI=1S/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14+,25-22+/t17-,18+,19+,20+,21+,23-,24+,26+,28-,31-,32-/m1/s1",KVTPRMVXYZKLIG-NCAOFHFGSA-N;KVTPRMVXYZKLIG-XAXCGKMTSA-N
BMGC_DG12201,BMG_DG165698,,,,
BMGC_DG12202,BMG_DG165723,,c1(oc2cc3occc3c(c2cc1)OC/C=C(/CCC=C(C)C)\C)=O,,DBMJZOMNXBSRED-OQLLNIDSSA-N
BMGC_DG12203,BMG_DG165725,C[C@H]1CO[C@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O,[C@]12(Cn3c(C(N1[C@H](CO2)C)=O)c(c(c(c3)C(=O)NCc4c(cc(cc4)F)F)=O)O)[H],"InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1",WCWSTNLSLKSJPK-LKFCYVNXSA-N
BMGC_DG12204,BMG_DG165751,CC(C(F)(F)F)(C(F)(F)F)OC(=O)C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3OC2=O)O,C(OC(c1ccc(Cc2c(c3c(oc2=O)cccc3)O)cc1)=O)(C)(C(F)(F)F)C(F)(F)F,"InChI=1S/C21H14F6O5/c1-19(20(22,23)24,21(25,26)27)32-17(29)12-8-6-11(7-9-12)10-14-16(28)13-4-2-3-5-15(13)31-18(14)30/h2-9,28H,10H2,1H3",QFLNTQDOVCLQKW-UHFFFAOYSA-N
BMGC_DG12205,BMG_DG165756,,N(CCc1cc(Cl)c(Cl)cc1)[C@@H]2[C@@H](CCCC2)N3CCCC3,,NREHOBGKKWFKES-ZWKOTPCHSA-N
BMGC_DG12206,BMG_DG165759,C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl,c12c(scc1)CCN(C2)Cc3c(Cl)cccc3,"InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2",PHWBOXQYWZNQIN-UHFFFAOYSA-N
BMGC_DG12207,BMG_DG165767,,,,
BMGC_DG12208,BMG_DG165768,,c1([C@H](c2ccccc2)C[C@@H](C)O)c(=O)oc3c(cccc3)c1O,,ZUJMMGHIYSAEOU-DOMZBBRYSA-N
BMGC_DG12209,BMG_DG165771,,c1([C@@H](c2ccccc2)C[C@@H](C)O)c(=O)oc3c(cccc3)c1O,,ZUJMMGHIYSAEOU-IUODEOHRSA-N
BMGC_DG12210,BMG_DG165780,CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O,C/1(\C(=C(CC(=O)O)c2c1ccc(F)c2)C)=C/c3ccc(S(=O)(=O)C)cc3,"InChI=1S/C20H17FO4S/c1-12-17(9-13-3-6-15(7-4-13)26(2,24)25)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-",MVGSNCBCUWPVDA-MFOYZWKCSA-N
BMGC_DG12211,BMG_DG165785,C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O,c1(ccc(c(c1)F)CNC(c2c(=O)c(c3n(c2)C[C@]4(N(C3=O)[C@@H](CCO4)C)[H])O)=O)F,"InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1",RHWKPHLQXYSBKR-BMIGLBTASA-N
BMGC_DG12212,BMG_DG165786,CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=C(C(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)NC(=O)CN5CCCC5)F,C=1([C@H]([C@]2([C@@](C(C1C(=O)N)=O)(C(=C3[C@](C2)(Cc4c(C3=O)c(c(cc4F)NC(=O)CN5CCCC5)O)[H])O)O)[H])N(C)C)O,"InChI=1S/C27H31FN4O8/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39/h9,11,13,20,34-35,38,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33)/t11-,13-,20-,27-/m0/s1",AKLMFDDQCHURPW-ISIOAQNYSA-N;HLFSMUUOKPBTSM-ISIOAQNYSA-N
BMGC_DG12213,BMG_DG165797,,c1(O)c2c(cc(cc2c(c3cc(oc(c13)=O)C)OC)OC)O,,VOYHBEQAOUCNID-UHFFFAOYSA-N
BMGC_DG12214,BMG_DG165798,,,,
BMGC_DG12215,BMG_DG165799,,,,
BMGC_DG12216,BMG_DG165800,,,,
BMGC_DG12217,BMG_DG165801,,,,
BMGC_DG12218,BMG_DG165818,COC1=CC(=CC(=C1)O)/C=C/C2=CC=C(C=C2)O,C(=C/c1ccc(O)cc1)\c2cc(OC)cc(O)c2,"InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+",KUWZXOMQXYWKBS-NSCUHMNNSA-N
BMGC_DG12219,BMG_DG165828,CC(C)(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=C([C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)CC7=C6C(=C(C=C7)O)O4)CC8CC8)O,c1c2c3c(c(c1)O)O[C@@H]4[C@@]35[C@]([C@@H](C2)N(CC5)CC6CC6)(CC(=C4O)C(NC(C)(c7onc(n7)-c8ccccc8)C)=O)O,"InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39)/t22-,26+,31+,32-/m1/s1",AXQACEQYCPKDMV-RZAWKFBISA-N
BMGC_DG12220,BMG_DG165830,,O=c1oc(cc2cc(O)cc(O)c12)-c3ccc(O)c(O)c3,,NHFGEHLUROYMEB-UHFFFAOYSA-N
BMGC_DG12221,BMG_DG165841,,c1([C@@H](c2ccccc2)C[C@H](C)O)c(=O)oc3c(cccc3)c1O,,ZUJMMGHIYSAEOU-SWLSCSKDSA-N
BMGC_DG12222,BMG_DG165849,CCN\1C2=CC=CC=C2S/C1=C\C=C\C=C\C3=[N+](C4=CC=CC=C4S3)CC,,"InChI=1S/C23H23N2S2/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23/h5-17H,3-4H2,1-2H3/q+1",FYXWDSGGZAMYFZ-UHFFFAOYSA-N
BMGC_DG12223,BMG_DG165860,CC(C)(C)NCC(COC1=CN(C(=O)C2=CC=CC=C21)C)O,c1(c2c(c(OCC(CNC(C)(C)C)O)cn1C)cccc2)=O,"InChI=1S/C17H24N2O3/c1-17(2,3)18-9-12(20)11-22-15-10-19(4)16(21)14-8-6-5-7-13(14)15/h5-8,10,12,18,20H,9,11H2,1-4H3",TWVUMMQUXMYOOH-UHFFFAOYSA-N
BMGC_DG12224,BMG_DG165881,C([C@@H]([C@@H]1C(=C(C(=O)O1)[O-])O)O)O.C([C@@H]([C@@H]1C(=C(C(=O)O1)[O-])O)O)O.[Ca+2],[Ca+2].C1(=C([C@@](OC1=O)([H])[C@@H](O)CO)[O-])O.C1(=C([C@@](OC1=O)([H])[C@@H](O)CO)[O-])O,"InChI=1S/2C6H8O6.Ca/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*2,5,7-10H,1H2;/q;;+2/p-2/t2*2-,5+;/m00./s1",BLORRZQTHNGFTI-ZZMNMWMASA-L
BMGC_DG12225,BMG_DG165901,CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C,[C@@H]1(C(N(C(=O)NCC)CCCN(C)C)=O)C[C@@]2(c3c4c([nH]cc4C[C@]2(N(C1)CC=C)[H])ccc3)[H],"InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1",KORNTPPJEAJQIU-KJXAQDMKSA-N
BMGC_DG12226,BMG_DG165928,CCN(CC)CCOC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)OCCN(CC)CC,c12C(c3cc(OCCN(CC)CC)ccc3-c1ccc(c2)OCCN(CC)CC)=O,"InChI=1S/C25H34N2O3/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19/h9-12,17-18H,5-8,13-16H2,1-4H3",MPMFCABZENCRHV-UHFFFAOYSA-N
BMGC_DG12227,BMG_DG165942,CN(C)CCCSC1=CC=CC=C1NC(=O)/C=C/C2=CC=CC=C2,c1(c(NC(/C=C/c2ccccc2)=O)cccc1)SCCCN(C)C,"InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+",RSUVYMGADVXGOU-BUHFOSPRSA-N
BMGC_DG12228,BMG_DG165945,,C(=C/c1ccncc1)\c2c3c(ccc2)cccc3,,FLKDRTOVVLNOLV-CMDGGOBGSA-N
BMGC_DG12229,BMG_DG165951,,C(/C=C/C(=O)OCCCC)(=O)O,,UTOVMEACOLCUCK-SNAWJCMRSA-N
BMGC_DG12230,BMG_DG165956,CC#CC(=O)N1CC[C@H](C1)N2C3=NC=NC(=C3N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N,c1(c2c(ncn1)n(c(n2-c3ccc(cc3)Oc4ccccc4)=O)[C@@H]5CCN(C5)C(C#CC)=O)N,"InChI=1S/C25H22N6O3/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28)/t18-/m1/s1",SEJLPXCPMNSRAM-GOSISDBHSA-N
BMGC_DG12231,BMG_DG165960,CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)SC=C4,c1(ccc(cc1)Nc2nc(c3c(n2)ccs3)Oc4cccc(c4)NC(C=C)=O)N5CCN(CC5)C,"InChI=1S/C26H26N6O2S/c1-3-23(33)27-19-5-4-6-21(17-19)34-25-24-22(11-16-35-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)",FDMQDKQUTRLUBU-UHFFFAOYSA-N
BMGC_DG12232,BMG_DG166002,C[N+]1(CC(CC(=C(C2=CC=CS2)C3=CC=CS3)C1)OC)C,[N+]1(CC(CC(C1)OC)=C(c2cccs2)c3cccs3)(C)C,"InChI=1S/C17H22NOS2/c1-18(2)11-13(10-14(12-18)19-3)17(15-6-4-8-20-15)16-7-5-9-21-16/h4-9,14H,10-12H2,1-3H3/q+1",PDYOTUCJOLELJU-UHFFFAOYSA-N
BMGC_DG12233,BMG_DG166005,CC(C)N1C2=NC(=NC=C2N=C1NC3=CN=CC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C,C(C)(C)n1c2c(nc1Nc3cccnc3)cnc(Nc4ccc(cc4)N5CCN(C)CC5)n2,"InChI=1S/C24H29N9/c1-17(2)33-22-21(29-24(33)28-19-5-4-10-25-15-19)16-26-23(30-22)27-18-6-8-20(9-7-18)32-13-11-31(3)12-14-32/h4-10,15-17H,11-14H2,1-3H3,(H,28,29)(H,26,27,30)",WSOHOUHPUOAXIN-UHFFFAOYSA-N
BMGC_DG12234,BMG_DG166007,C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4,,"InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29-/m1/s1",OHUHVTCQTUDPIJ-JYCIKRDWSA-N
BMGC_DG12235,BMG_DG166018,,c1cc2C(N([C@H](CS(=O)(C)=O)c3cc(c(cc3)OC)OCC)C(c2c(NC(=O)CO)c1)=O)=O,,GAEOGEGXFOXKPH-MRXNPFEDSA-N
BMGC_DG12236,BMG_DG166023,,,,
BMGC_DG12237,BMG_DG166024,C1CS(=O)(=O)CCC12OC3=C(C=CC(=C3O2)OC(F)F)C(=O)CC4=C(C=[N+](C=C4Cl)[O-])Cl,C(Cc1c(c[n+](cc1Cl)[O-])Cl)(c2ccc(c3c2OC4(O3)CCS(CC4)(=O)=O)OC(F)F)=O,"InChI=1S/C19H15Cl2F2NO7S/c20-12-8-24(26)9-13(21)11(12)7-14(25)10-1-2-15(29-18(22)23)17-16(10)30-19(31-17)3-5-32(27,28)6-4-19/h1-2,8-9,18H,3-7H2",ZININGNRPUGNSL-UHFFFAOYSA-N
BMGC_DG12238,BMG_DG166025,CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O,C(Oc1cc(cc(c1)C(CNC(C)(C)C)O)OC(N(C)C)=O)(N(C)C)=O,"InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3",ANZXOIAKUNOVQU-UHFFFAOYSA-N
BMGC_DG12239,BMG_DG166026,CC1=NC(=CC=C1)C2=C(N=C(N2)CNC3=CC=CC=C3F)C4=CN5C(=NC=N5)C=C4,[nH]1c(nc(c1-c2nc(ccc2)C)-c3cn4c(cc3)ncn4)CNc5ccccc5F,"InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)",FJCDSQATIJKQKA-UHFFFAOYSA-N
BMGC_DG12240,BMG_DG166031,CC(C)(C(=O)O)SC1=C(C=NC=C1)C2=CC=C(C3=CC=CC=C32)C#N,C(C(C)(C)Sc1c(cncc1)-c2ccc(c3ccccc23)C#N)(=O)O,"InChI=1S/C20H16N2O2S/c1-20(2,19(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16/h3-10,12H,1-2H3,(H,23,24)",YYBOLPLTQDKXPM-UHFFFAOYSA-N
BMGC_DG12241,BMG_DG166033,CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)[C@@H]3CC[C@H](N3C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC,COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc2ccc(cc2)[C@@H]3CC[C@H](N3c4ccc(C(C)(C)C)cc4)c5ccc(cc5)NC(=O)[C@H]6N(C([C@@H](NC(OC)=O)C(C)C)=O)CCC6,"InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1",PIDFDZJZLOTZTM-KHVQSSSXSA-N
BMGC_DG12242,BMG_DG166046,,c1(nc(N=C(N)N)sc1)CSCCNC=2C(=N[S+](N2)[O-])N,,JDKAFLSRQPKFCQ-UHFFFAOYSA-N
BMGC_DG12243,BMG_DG166052,CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O,,"InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3",BLJRIMJGRPQVNF-UHFFFAOYSA-N
BMGC_DG12244,BMG_DG166056,,C(=O)([C@@H](CP(=O)([C@@H](N)C)O)Cc1ccc(cc1)-c2ccccc2)N[C@@H](C)C(=O)O,,CWJPVKSBGVPXRD-QMTMVMCOSA-N
BMGC_DG12245,BMG_DG166058,,,,
BMGC_DG12246,BMG_DG166059,,,,
BMGC_DG12247,BMG_DG166060,C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)O)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O,C(C(N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(O)=O)=O)C(C)C)C(C)C)=O)C(C)C,"InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1",FAXGPCHRFPCXOO-LXTPJMTPSA-N
BMGC_DG12248,BMG_DG166066,CCS(=O)(=O)CCN1C(=NC=C1[N+](=O)[O-])C,c1(n(c(C)nc1)CCS(=O)(=O)CC)[N+]([O-])=O,"InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3",HJLSLZFTEKNLFI-UHFFFAOYSA-N
BMGC_DG12249,BMG_DG166074,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)SC1)C(=O)O,N12C(=C(CS[C@@]1([C@@H](C2=O)NC(=O)/C(=N/OC)/c3nc(sc3)N)[H])COC(=O)C)C(=O)O,"InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1",GPRBEKHLDVQUJE-VINNURBNSA-N
BMGC_DG12250,BMG_DG166075,CO/N=C(/C1=CC=CO1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)COC(=O)N)[H])NC(/C(/c3occc3)=N\OC)=O,"InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1",JFPVXVDWJQMJEE-IZRZKJBUSA-N
BMGC_DG12251,BMG_DG166076,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)CSc3nc(c(=O)[nH]n3C)=O)[H])NC(\C(\c4nc(N)sc4)=N/OC)=O,"InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1",VAAUVRVFOQPIGI-SPQHTLEESA-N
BMGC_DG12252,BMG_DG166077,C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-],N12[C@@]([C@H](NC(\C(\c3nc(N)sc3)=N/OC)=O)C1=O)(SCC(=C2C([O-])=O)C[N+]4(C)CCCC4)[H],"InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1",HVFLCNVBZFFHBT-ZKDACBOMSA-N
BMGC_DG12253,BMG_DG166078,CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCC5)C(=O)[O-],O(C)/N=C(\C(N[C@H]1[C@@]2([H])SCC(C[n+]3cccc4c3CCC4)=C(C(=O)[O-])N2C1=O)=O)/c5csc(n5)N,"InChI=1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/b26-15-/t16-,20-/m1/s1",DKOQGJHPHLTOJR-WHRDSVKCSA-N
BMGC_DG12254,BMG_DG166079,CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O,,"InChI=1S/C39H52N4O6/c1-26(2)21-33(37(47)41-32(35(40)45)24-29-19-13-8-14-20-29)42-36(46)30(22-27-15-9-6-10-16-27)25-34(44)31(23-28-17-11-7-12-18-28)43-38(48)49-39(3,4)5/h6-20,26,30-34,44H,21-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,46)(H,43,48)/t30-,31+,32+,33+,34-/m1/s1",MURCDOXDAHPNRQ-ZJKZPDEISA-N
BMGC_DG12255,BMG_DG166085,CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)N,N1(CCc2c(sc(N)c2C(OCC)=O)C1)Cc3ccccc3,"InChI=1S/C17H20N2O2S/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3",PFENFDGYVLAFBR-UHFFFAOYSA-N
BMGC_DG12256,BMG_DG166087,CO/N=C(\N)/C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)/C(=N/OC)/N,o1c(-c2ccc(C(=N)NOC)cc2)ccc1-c3ccc(cc3)C(=N)NOC,"InChI=1S/C20H20N4O3/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24)",UKOQVLAXCBRRGH-UHFFFAOYSA-N
BMGC_DG12257,BMG_DG166090,C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)[C@H]9[C@@]12CCN([C@@H]([C@@]1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1,[C@@]12([C@]34[C@](c5c(C1)c6c([nH]5)[C@]7([C@]89[C@@](C6)([C@](N(CC8)CC%10CC%10)(Cc%11c9c(O7)c(O)cc%11)[H])O)[H])(Oc%12c3c(C[C@@]2([H])N(CC%13CC%13)CC4)ccc%12O)[H])O,"InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1",APSUXPSYBJVPPS-YAUKWVCOSA-N
BMGC_DG12258,BMG_DG166091,C1=CC2=C(C(=C1)O)OC3=CC=CC(=C3C2=O)O,O=c1c2cccc(O)c2oc3cccc(O)c13,"InChI=1S/C13H8O4/c14-8-4-2-6-10-11(8)12(16)7-3-1-5-9(15)13(7)17-10/h1-6,14-15H",APIPFXZYOMIJQG-UHFFFAOYSA-N
BMGC_DG12259,BMG_DG166095,CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N\OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,[C@@H]1([C@@H]([C@H](C[C@H](O1)C)N(C)C)O)O[C@]2([C@](C)(O)C[C@@H](C)/C(/[C@@H]([C@H]([C@]([C@@H](CC)OC([C@@H]([C@@]([C@@H]2C)([H])O[C@@H]3O[C@H]([C@@H]([C@](C)(OC)C3)O)C)C)=O)(C)O)O)C)=N/OCOCCOC)[H],"InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31-/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1",RXZBMPWDPOLZGW-HEWSMUCTSA-N
BMGC_DG12260,BMG_DG166100,C1=CC2=C(C(=C1)Cl)NC3=C4C(=C5C(=C23)C(=O)NC5=O)C6=C(N4)C(=CC=C6)Cl,,"InChI=1S/C20H9Cl2N3O2/c21-9-5-1-3-7-11-13-14(20(27)25-19(13)26)12-8-4-2-6-10(22)16(8)24-18(12)17(11)23-15(7)9/h1-6,23-24H,(H,25,26,27)",ZGCSNRKSJLVANE-UHFFFAOYSA-N
BMGC_DG12261,BMG_DG166102,CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-],[H+].O(/N=C(/c1nc(N)sc1)\C(N[C@@H]2C(N3C(=C(C[n+]4ccccc4)CS[C@@]32[H])C(=O)[O-])=O)=O)C(C([O-])=O)(C)C,"InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1",ORFOPKXBNMVMKC-DWVKKRMSSA-N
BMGC_DG12262,BMG_DG166107,C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C,n1(c2c(c(N)ncn2)nc1)C[C@H](OCP(OCOC(=O)OC(C)C)(OCOC(=O)OC(C)C)=O)C,"InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1",JFVZFKDSXNQEJW-CQSZACIVSA-N
BMGC_DG12263,BMG_DG166115,CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)C,,"InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3",UWQYBLOHTQWSQD-UHFFFAOYSA-N
BMGC_DG12264,BMG_DG166120,CC1(C=CC2=C(O1)C=C(C3=C2OC(=C(C3=O)CCC(C)(C)O)C4=C(C=C(C=C4)O)O)O)C,c1(c(c(c2c(o1)c3c(OC(C=C3)(C)C)cc2O)=O)CCC(O)(C)C)-c4c(cc(cc4)O)O,"InChI=1S/C25H26O7/c1-24(2,30)9-7-16-21(29)20-18(28)12-19-15(8-10-25(3,4)32-19)23(20)31-22(16)14-6-5-13(26)11-17(14)27/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3",AFOKZNPZDXHDHD-UHFFFAOYSA-N
BMGC_DG12265,BMG_DG166121,CC(=CC1C2=C(C3=C(O1)C=C(C=C3)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O)C,,"InChI=1S/C25H22O6/c1-12(2)9-19-21-22(28)20-16(27)11-18-15(7-8-25(3,4)31-18)23(20)30-24(21)14-6-5-13(26)10-17(14)29-19/h5-11,19,26-27H,1-4H3",GDQXJMLXEYSICD-UHFFFAOYSA-N
BMGC_DG12266,BMG_DG166122,C1=CC(=C(C=C1O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O,O=c1c2c(oc(c1)-c3c(O)cc(O)cc3)cc(O)cc2O,"InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H",ZSYPIPFQOQGYHH-UHFFFAOYSA-N
BMGC_DG12267,BMG_DG166124,C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl,c1c(c(cc(c1)Cl)Cl)C(Cn2ccnc2)OCc3ccsc3Cl,"InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2",QXHHHPZILQDDPS-UHFFFAOYSA-N
BMGC_DG12268,BMG_DG166126,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O,c1(c(c(=O)c2c(o1)cc(O)cc2)O)-c3cc(OC)c(cc3)O,"InChI=1S/C16H12O6/c1-21-13-6-8(2-5-11(13)18)16-15(20)14(19)10-4-3-9(17)7-12(10)22-16/h2-7,17-18,20H,1H3",WRFQRUBJBPLPAM-UHFFFAOYSA-N
BMGC_DG12269,BMG_DG166131,CC(C(=O)NCC(=O)O)S,C(NCC(=O)O)(=O)C(S)C,"InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)",YTGJWQPHMWSCST-UHFFFAOYSA-N
BMGC_DG12270,BMG_DG166155,CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2.Cl,O(c1c(C)cccc1)[C@@H](c2ccccc2)CCNC.Cl,"InChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-;/m1./s1",LUCXVPAZUDVVBT-UNTBIKODSA-N
BMGC_DG12271,BMG_DG166156,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)O)O,O[C@@H]([C@]1([H])[C@H](O)[C@@H](O)[C@H](Oc2c(=O)c3c(cc(O)cc3O)oc2-c4ccc(O)c(O)c4)O1)CO,"InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1",OPJZLUXFQFQYAI-GNPVFZCLSA-N
BMGC_DG12272,BMG_DG166159,CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2,O(c1c(C)cccc1)[C@@H](c2ccccc2)CCNC,"InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1",VHGCDTVCOLNTBX-QGZVFWFLSA-N
BMGC_DG12273,BMG_DG166171,,[C@@]123[C@]([C@@H](Cc4c1cc(cc4)OC)NCC2)(CCCC3)[H],,ILNSWVUXAPSPEH-USXIJHARSA-N
BMGC_DG12274,BMG_DG166173,,C(=O)([C@@H](N)C)N[C@H](C(=O)O)C;C(N[C@@H](C)C(O)=O)([C@H](C)N)=O,,DEFJQIDDEAULHB-IMJSIDKUSA-N
BMGC_DG12275,BMG_DG166193,CC1=C2CCCC2=C(C=C1)OC[C@@H]([C@H](C)NC(C)C)O,,"InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16-/m0/s1",VFIDUCMKNJIJTO-BBRMVZONSA-N
BMGC_DG12276,BMG_DG166194,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)O,N1([C@@H](C[C@@]2([C@@]1(CCCC2)[H])[H])C(=O)O)C([C@@H](N[C@H](C(=O)OCC)CCc3ccccc3)C)=O,"InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1",VXFJYXUZANRPDJ-WTNASJBWSA-N
BMGC_DG12277,BMG_DG166196,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O[C@H]3[C@H](C=C4)O,[C@@]123c4c5c(O[C@@H]6O[C@H](C(=O)O)[C@H]([C@@H]([C@H]6O)O)O)ccc4C[C@H]([C@@]1(C=C[C@@H]([C@@H]2O5)O)[H])N(CC3)C,"InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1",WAEXKFONHRHFBZ-ZXDZBKESSA-N
BMGC_DG12278,BMG_DG166207,,,,
BMGC_DG12279,BMG_DG166208,C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)N,C([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC(CNC([C@@H](NC([C@H](NC([C@@H](N)Cc2ccc(O)cc2)=O)C)=O)Cc3ccccc3)=O)=O)Cc4ccc(O)cc4)=O)=O)CO)(=O)N,"InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1",FHZPGIUBXYVUOY-VWGYHWLBSA-N
BMGC_DG12280,BMG_DG166236,,O[C@]12[C@@]34c5c(O[C@]3(C(=O)CC1)[H])c(O)ccc5C[C@]2([N+](CC=C)(C)CC4)[H],,PCSQOABIHJXZMR-MGQKVWQSSA-O
BMGC_DG12281,BMG_DG166248,C[C@H](CC1=CC2=C(C=C1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](C3=CC(=CC=C3)Cl)O,C1(Oc2cc(C[C@H](NC[C@@H](c3cc(Cl)ccc3)O)C)ccc2O1)(C(O)=O)C(O)=O,"InChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/t11-,15+/m1/s1",JEDJMKTVUPSHFW-ABAIWWIYSA-N
BMGC_DG12282,BMG_DG166253,C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@@H]1O)OC5=C(C=C4)O)O,[C@]123[C@@]4([C@H](N(CC1)CC5CC5)Cc6c2c(c(O)cc6)O[C@]3([C@@H](CC4)O)[H])O,"InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1",JLVNEHKORQFVQJ-PYIJOLGTSA-N
BMGC_DG12283,BMG_DG166263,,,,
BMGC_DG12284,BMG_DG166267,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O,c1(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)c(-c4cc(c(OCCO)cc4)OCCO)oc5cc(cc(c5c1=O)O)OCCO,"InChI=1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-/m0/s1",IYVFNTXFRYQLRP-VVSTWUKXSA-N
BMGC_DG12285,BMG_DG166283,CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)CCC(=O)O)C)C)C=C)C,C(C(=O)O)C[C@H]1[C@@H](c2nc1c(c3c(c(c([nH]3)cc4C(CC)=C(c(n4)cc5c(c(c(c2)[nH]5)C)C=C)C)C)C(O)=O)CC(N[C@@H](CC(O)=O)C(O)=O)=O)C,"InChI=1S/C38H41N5O9/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24/h7,12-14,18,22,30,39-40H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)/t18-,22-,30-/m0/s1",SIEXFRDYNDREBM-BRXYURPTSA-N;VSEIDZLLWQQJGK-WSUYNKMOSA-N
BMGC_DG12286,BMG_DG166289,C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8O6,O[C@]12[C@@]34c5c(O[C@H]3c6c(C1)c7c(o6)cccc7)c(O)ccc5C[C@H]2N(CC4)CC8CC8,"InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1",ZHVWWEYETMPAMX-IFKAHUTRSA-N
BMGC_DG12287,BMG_DG166295,CC(C)C[C@@H](CC(=O)O)CN,C(O)(=O)C[C@H](CC(C)C)CN,"InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1",AYXYPKUFHZROOJ-ZETCQYMHSA-N
BMGC_DG12288,BMG_DG166298,C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl,c12c(c(Cl)ccc2nsn1)NC3=NCCN3,"InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)",XFYDIVBRZNQMJC-UHFFFAOYSA-N
BMGC_DG12289,BMG_DG166304,,[nH]1c2nc3ccc(c(c3cc2[nH]c1=O)C)C,,ODCKPUDNMNCWMR-UHFFFAOYSA-N
BMGC_DG12290,BMG_DG166307,,,,
BMGC_DG12291,BMG_DG166311,C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-],[C@@]12([C@H]3C[C@@H](OC(C(c4sccc4)(c5sccc5)O)=O)C[C@@H]([C@@]2(O1)[H])[N+]3(C)C)[H].[Br-],"InChI=1S/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11?,12-,13+,16-,17+;",DQHNAVOVODVIMG-RGECMCKFSA-M;DQHNAVOVODVIMG-FOGIBKMMSA-M
BMGC_DG12292,BMG_DG166312,C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C,[C@@]12([C@@]([C@@H]3C[C@H](OC(C(c4sccc4)(c5sccc5)O)=O)C[C@H]1[N+]3(C)C)([H])O2)[H],"InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11?,12-,13+,16-,17+",LERNTVKEWCAPOY-DZZGSBJMSA-N;LERNTVKEWCAPOY-FPISHFTHSA-N
BMGC_DG12293,BMG_DG166319,C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)N,,"InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1",DESSEGDLRYOPTJ-VRANXALZSA-N
BMGC_DG12294,BMG_DG166326,CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)OC)OC,,"InChI=1S/C16H15NO5/c1-17-13-8(5-4-6-9(13)18)15(20)12-10(19)7-11(21-2)16(22-3)14(12)17/h4-7,18-19H,1-3H3",UTEAJHNFBCLZHN-UHFFFAOYSA-N
BMGC_DG12295,BMG_DG166330,CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O,N12C(=O)[C@H]([C@]2(SCC(=C1C(=O)O)C)[H])NC(=O)/C(/c3csc(n3)N)=N\OC,"InChI=1S/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1",MQLRYUCJDNBWMV-GHXIOONMSA-N
BMGC_DG12296,BMG_DG166337,CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)[O-])CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])CCC(=O)[O-])C)C)C=C)C.[Na+].[Na+].[Na+].[Na+],C(C(=O)[O-])C[C@H]1[C@@H](c2nc1c(c3c(c(c([nH]3)cc4C(CC)=C(c(n4)cc5c(c(c(c2)[nH]5)C)C=C)C)C)C([O-])=O)CC(N[C@@H](CC([O-])=O)C([O-])=O)=O)C.[Na+].[Na+].[Na+].[Na+],"InChI=1S/C38H41N5O9.4Na/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24;;;;/h7,12-14,18,22,30,39-40H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52);;;;/q;4*+1/p-4/t18-,22-,30-;;;;/m0..../s1",KPALSRNVSRWOPA-YJFNSWLASA-J;JLWROAPZCOJYGT-OBJGRMLXSA-J
BMGC_DG12297,BMG_DG166382,C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)NCC(=O)O.O.O,C(=O)(O)CNC([C@@H](Cc1ccccc1)CN2C[C@@H]([C@](CC2)(C)c3cc(ccc3)O)C)=O.O.O,"InChI=1S/C25H32N2O4.2H2O/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19;;/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30);2*1H2/t18-,20-,25+;;/m0../s1",USPVLEIQIUNQGE-DBFLIVQGSA-N
BMGC_DG12298,BMG_DG166383,C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)NCC(=O)O,C(CNC([C@@H](Cc1ccccc1)CN2C[C@@H]([C@](CC2)(C)c3cc(ccc3)O)C)=O)(=O)O,"InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1",UPNUIXSCZBYVBB-JVFUWBCBSA-N
BMGC_DG12299,BMG_DG166388,,,,
BMGC_DG12300,BMG_DG166392,,c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](C)C(=O)N(CC(=O)O)C2Cc3c(cccc3)C2,,PHASTBJLWIZXKB-KKSFZXQISA-N
BMGC_DG12301,BMG_DG166407,C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCC(=O)C2=CC(=CC=C2)OC,c1(C(=O)CCN[C@H]([C@@H](c2ccccc2)O)C)cc(OC)ccc1,"InChI=1S/C19H23NO3/c1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-9-6-10-17(13-16)23-2/h3-10,13-14,19-20,22H,11-12H2,1-2H3/t14-,19-/m0/s1",GDYUVHBMFVMBAF-LIRRHRJNSA-N
BMGC_DG12302,BMG_DG166410,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O,[C@@]123c4c5c(OC)ccc4C[C@H]([C@@]1(C=C[C@@H]([C@@]2(O5)[H])O[C@@]6(O[C@H](C(=O)O)[C@H]([C@@H]([C@H]6O)O)O)[H])[H])N(CC3)C,"InChI=1S/C24H29NO9/c1-25-8-7-24-11-4-6-14(32-23-18(28)16(26)17(27)20(34-23)22(29)30)21(24)33-19-13(31-2)5-3-10(15(19)24)9-12(11)25/h3-6,11-12,14,16-18,20-21,23,26-28H,7-9H2,1-2H3,(H,29,30)/t11-,12+,14-,16-,17-,18+,20-,21-,23+,24-/m0/s1",CRWVOYRJXPDBPM-HSCJLHHPSA-N
BMGC_DG12303,BMG_DG166413,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)O.Cl,N1(C([C@@H](N[C@H](C(=O)OCC)CCc2ccccc2)C)=O)[C@@H](Cc3c(C1)cccc3)C(=O)O.Cl,"InChI=1S/C25H30N2O5.ClH/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30;/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30);1H/t17-,21-,22-;/m0./s1",IBBLRJGOOANPTQ-JKVLGAQCSA-N
BMGC_DG12304,BMG_DG166414,COC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4)[C@@H](O2)C(=O)CC5)O)C=C1,[C@]123[C@@]4([C@@H](Cc5c1c(c(cc5)OC)O[C@H]2C(CC4)=O)NCC3)O,"InChI=1S/C17H19NO4/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15/h2-3,12,15,18,20H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1",RIKMCJUNPCRFMW-ISWURRPUSA-N
BMGC_DG12305,BMG_DG166415,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)O,N1(C([C@@H](N[C@H](C(=O)OCC)CCc2ccccc2)C)=O)[C@@H](Cc3c(C1)cccc3)C(=O)O,"InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22-/m0/s1",JSDRRTOADPPCHY-HSQYWUDLSA-N
BMGC_DG12306,BMG_DG166418,,O(C)C1=C2[C@]3(c4c(C[C@@H]2NCC3)ccc(OC)c4O)C[C@H](O)[C@@H]1O,,MFKPWBJXKCSPGK-KNORBDTNSA-N
BMGC_DG12307,BMG_DG166419,,N12C([C@H](Cc3c([C@]1(CCC[C@H]2C(O)=O)[H])cccc3)N[C@@H](CCc4ccccc4)C(O)=O)=O,,MFPBDCIKVMSRDU-KJJMTIBFSA-N
BMGC_DG12308,BMG_DG166426,CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)CC(C)C)O)CC=C(C)C)O,,"InChI=1S/C22H28O5/c1-6-7-14-11-17(24)27-22-18(14)20(25)15(9-8-12(2)3)21(26)19(22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3",LYJWLIYDNZREPC-UHFFFAOYSA-N
BMGC_DG12309,BMG_DG166431,C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C,n1(c(n(c2ncn(CCN[C@H]([C@@H](c3ccccc3)O)C)c2c1=O)C)=O)C,"InChI=1S/C18H23N5O3/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2/h4-8,11-12,15,19,24H,9-10H2,1-3H3/t12-,15-/m0/s1",UJSKUDDDPKGBJY-WFASDCNBSA-N
BMGC_DG12310,BMG_DG166432,CCCN(CCC)C(=O)CC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=C(C=C3)Cl,c1(n2c(ccc(c2)Cl)nc1-c3ccc(cc3)Cl)CC(N(CCC)CCC)=O,"InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3",JRTIDHTUMYMPRU-UHFFFAOYSA-N
BMGC_DG12311,BMG_DG166442,,c1(ccc(cc1)O)-c2c(c3c(c4c(cc3oc2)OC(C=C4)(C)C)O)=O,,RQAMSFTXEFSBPK-UHFFFAOYSA-N
BMGC_DG12312,BMG_DG166456,CC1=NC=C2C(OCC2=C1O)C3=CC=C(C=C3)Cl,c1(C)ncc2C(c3ccc(cc3)Cl)OCc2c1O,"InChI=1S/C14H12ClNO2/c1-8-13(17)12-7-18-14(11(12)6-16-8)9-2-4-10(15)5-3-9/h2-6,14,17H,7H2,1H3",CVKNDPRBJVBDSS-UHFFFAOYSA-N
BMGC_DG12313,BMG_DG166466,CCOC(=O)COC1CCN(CC1)C(=O)[C@H](C)NC(=O)C2=CC=C(C=C2)/C(=N\O)/N,C(COC1CCN(CC1)C([C@H](C)NC(c2ccc(cc2)/C(=N/O)/N)=O)=O)(=O)OCC,"InChI=1S/C20H28N4O6/c1-3-29-17(25)12-30-16-8-10-24(11-9-16)20(27)13(2)22-19(26)15-6-4-14(5-7-15)18(21)23-28/h4-7,13,16,28H,3,8-12H2,1-2H3,(H2,21,23)(H,22,26)/t13-/m0/s1",WBNUCLPUOSXSNJ-ZDUSSCGKSA-N
BMGC_DG12314,BMG_DG166486,,O[C@@]12[C@]34c5c(O[C@@]3(C(=O)CC1)[H])c(O)ccc5C[C@@H]2N(CC=C)CC4,,UZHSEJADLWPNLE-PIKADFDJSA-N
BMGC_DG12315,BMG_DG166487,,O[C@]12[C@@]34c5c(O[C@]3(c6c(C1)c7c([nH]6)cccc7)[H])c(O)ccc5C[C@]2(N(C)CC4)[H],,YQNZUKAKYJMEFE-LMDOGRNLSA-N
BMGC_DG12316,BMG_DG166496,,O=c1c2c(oc(c1)-c3cc(Oc4ccc(cc4)-c5oc6c(c(=O)c5)c(O)cc(O)c6)c(O)cc3)cc(O)cc2O,,NNPGECDACGBKDH-UHFFFAOYSA-N
BMGC_DG12317,BMG_DG166503,,n1c2-c(cc3c([nH]2)ccc(OCCCCS(=O)(=O)c4ccccc4)c3)[nH]c1=O,,PSFRCKHLCWZSJR-UHFFFAOYSA-N
BMGC_DG12318,BMG_DG166504,,,,
BMGC_DG12319,BMG_DG166524,C1=CC=C(C=C1)CC2=CN(C(=O)NC2=O)COCCO,[nH]1c(n(cc(c1=O)Cc2ccccc2)COCCO)=O,"InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)",SPJAGILXQBHHSZ-UHFFFAOYSA-N
BMGC_DG12320,BMG_DG166531,,[nH]1c2c(cccc2OCC(=O)O)c(c1)C[C@H](NC[C@@H](c3cc(Cl)ccc3)O)C,,FHEYFIGWYQJVDR-ACJLOTCBSA-N
BMGC_DG12321,BMG_DG166533,,,,
BMGC_DG12322,BMG_DG166536,CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N,O(CCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(NCC(C(N)=O)(C)C)=O)C,"InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1",UXOWGYHJODZGMF-QORCZRPOSA-N
BMGC_DG12323,BMG_DG166538,CC(C1=CC2=CC(=CC(=C2C(=O)O1)O)OC)C(=O)O,c1(c2c(cc(cc2O)OC)cc(o1)C(C(=O)O)C)=O,"InChI=1S/C13H12O6/c1-6(12(15)16)10-4-7-3-8(18-2)5-9(14)11(7)13(17)19-10/h3-6,14H,1-2H3,(H,15,16)",BPZCXUROMKDLGX-UHFFFAOYSA-N
BMGC_DG12324,BMG_DG166547,,,,
BMGC_DG12325,BMG_DG166548,,,,
BMGC_DG12326,BMG_DG166549,,,,
BMGC_DG12327,BMG_DG166551,,,,
BMGC_DG12328,BMG_DG166552,,CC(C)(C)c1[nH]c2c(n1)c3c(c4c2ccc(F)c4)c([nH]cc3)=O,,VNDWQCSOSCCWIP-UHFFFAOYSA-N
BMGC_DG12329,BMG_DG166555,,,,
BMGC_DG12330,BMG_DG166556,,,,
BMGC_DG12331,BMG_DG166557,,,,
BMGC_DG12332,BMG_DG166560,CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C,c1cc(ccc1NC(C2CC2)=O)Sc3nc(cc(n3)Nc4n[nH]c(c4)C)N5CCN(CC5)C,"InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)",GCIKSSRWRFVXBI-UHFFFAOYSA-N
BMGC_DG12333,BMG_DG166566,,o1c2c(-c3cc(-c4oc5c(c(=O)c4)c(O)cc(O)c5)ccc3O)c(OC)cc(O)c2c(=O)cc1-c6ccc(O)cc6,,OIFVLHZEBAXHPM-UHFFFAOYSA-N
BMGC_DG12334,BMG_DG166567,CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,n1c(c2c(c(CNc3cc(OC)c(c(c3)OC)OC)ccc2nc1N)C)N.O=C[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,"InChI=1S/C19H23N5O3.C6H10O7/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3;7-1-2(8)3(9)4(10)5(11)6(12)13/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24);1-5,8-11H,(H,12,13)/t;2-,3+,4-,5-/m.0/s1",ZCJXQWYMBJYJNB-LRDBBFHQSA-N
BMGC_DG12335,BMG_DG166570,,C(C(=O)c1c[nH]c2c1c(ccn2)OC)(=O)N3[C@@H](CN(CC3)C(c4ccccc4)=O)C,,OKGPFTLYBPQBIX-CQSZACIVSA-N
BMGC_DG12336,BMG_DG166572,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C(=C3CC=C(C)C)OC)O)OC)C,,"InChI=1S/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3",YRKKJHJIWCRNCW-UHFFFAOYSA-N
BMGC_DG12337,BMG_DG166573,CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CCC(C)(C)O)O)C,,"InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3",TYALNCRUIKOKGP-UHFFFAOYSA-N
BMGC_DG12338,BMG_DG166575,CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)O)OC)C,,"InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3",HQWHKELJHUFLGD-UHFFFAOYSA-N
BMGC_DG12339,BMG_DG166580,,C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,,NLKUJNGEGZDXGO-XVKPBYJWSA-N
BMGC_DG12340,BMG_DG166585,C([C@@H](C(=O)C(=O)O)C(=O)O)C(=O)O,,"InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-/m0/s1",UFSCUAXLTRFIDC-REOHCLBHSA-N
BMGC_DG12341,BMG_DG166586,,,,
BMGC_DG12342,BMG_DG166592,,,,
BMGC_DG12343,BMG_DG166593,C[C@H]([C@@H](CC1=CC(=CC=C1)C(=N)N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CC=[N+](C=C3)[O-],C([C@H](Cc1cccc(c1)C(=N)N)[C@@H](C)NC(c2ccc(cc2)-c3cc[n+](cc3)[O-])=O)(OC)=O,"InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/t16-,22-/m1/s1",PFGVNLZDWRZPJW-OPAMFIHVSA-N
BMGC_DG12344,BMG_DG166595,,,,
BMGC_DG12345,BMG_DG166599,,,,
BMGC_DG12346,BMG_DG166600,,,,
BMGC_DG12347,BMG_DG166605,CCN(CC)C(=O)C1=CN=CC=C1,C(c1cnccc1)(N(CC)CC)=O,"InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3",NCYVXEGFNDZQCU-UHFFFAOYSA-N
BMGC_DG12348,BMG_DG166607,,,,
BMGC_DG12349,BMG_DG166608,,,,
BMGC_DG12350,BMG_DG166614,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O,,"InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36+,40-/m1/s1",JDEPVTUUCBFJIW-YQVDHACTSA-N
BMGC_DG12351,BMG_DG166616,,C(c1ccc(cc1)O)(=O)N/N=C/c2ccc(cc2)N(CC)CC,,WLKOCYWYAWBGKY-CPNJWEJPSA-N
BMGC_DG12352,BMG_DG166618,C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O,C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1OP(=O)(O)O,"InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20+,24-/m1/s1",KFWWCMJSYSSPSK-PAXLJYGASA-N
BMGC_DG12353,BMG_DG166621,CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O,C(CCCCCCC/C=C\CCCCCCCC)(OCC(COP(O)(O)=O)O)=O,"InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-",WRGQSWVCFNIUNZ-KTKRTIGZSA-N
BMGC_DG12354,BMG_DG166625,CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC,C(OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(=O)CCCCCCC/C=C\CCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-",PHYFQTYBJUILEZ-IUPFWZBJSA-N
BMGC_DG12355,BMG_DG166628,,,,
BMGC_DG12356,BMG_DG166631,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O,C(=C\CCCCCC(=O)O)\C/C=C\C/C=C\C/C=C\C/C=C\CC,"InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-",YUFFSWGQGVEMMI-JLNKQSITSA-N
BMGC_DG12357,BMG_DG166632,C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8N6,[nH]1c2[C@@]3([H])[C@]45CCN([C@H](Cc6c4c(c(cc6)O)O3)[C@@]5(Cc2c7ccccc71)O)CC8CC8,"InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1",WIYUZYBFCWCCQJ-IFKAHUTRSA-N
BMGC_DG12358,BMG_DG166648,CCC1C(=NN=C(C2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C,c12c(cc(c(c1)OC)OC)C(C(C)=NN=C2c3cc(OC)c(cc3)OC)CC,"InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3",RUJBDQSFYCKFAA-UHFFFAOYSA-N
BMGC_DG12359,BMG_DG166651,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2,S(NC(NN1CCCCCC1)=O)(c2ccc(cc2)C)(=O)=O,"InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)",OUDSBRTVNLOZBN-UHFFFAOYSA-N
BMGC_DG12360,BMG_DG166654,C1CN=C(N1)CC2=CC=CC=C2,C1(=NCCN1)Cc2ccccc2,"InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)",JIVZKJJQOZQXQB-UHFFFAOYSA-N
BMGC_DG12361,BMG_DG166656,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,"InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)",JLRGJRBPOGGCBT-UHFFFAOYSA-N
BMGC_DG12362,BMG_DG166666,CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O,c1(n(c(CC(=O)O)cc1)C)C(c2ccc(cc2)C)=O,"InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)",UPSPUYADGBWSHF-UHFFFAOYSA-N
BMGC_DG12363,BMG_DG166667,CC1=CC(=CC=C1)N(C)C(=S)OC2=CC3=CC=CC=C3C=C2,C(N(c1cc(C)ccc1)C)(Oc2cc3ccccc3cc2)=S,"InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3",FUSNMLFNXJSCDI-UHFFFAOYSA-N
BMGC_DG12364,BMG_DG166669,C1=CC2=C(C(=C1)Cl)OC3=CC(=C(C(=C23)Cl)Cl)Cl,c12c(Cl)c(Cl)c(Cl)cc1oc3c(Cl)cccc32,InChI=1S/C12H4Cl4O/c13-6-3-1-2-5-9-8(17-12(5)6)4-7(14)10(15)11(9)16/h1-4H,BBAXFLIBRPXRBP-UHFFFAOYSA-N
BMGC_DG12365,BMG_DG166670,C1=CC2=C(C=C1Cl)OC3=CC(=C(C(=C23)Cl)Cl)Cl,c12c(Cl)c(Cl)c(Cl)cc1oc3cc(Cl)ccc32,InChI=1S/C12H4Cl4O/c13-5-1-2-6-8(3-5)17-9-4-7(14)11(15)12(16)10(6)9/h1-4H,MDNZFYGATDCKRB-UHFFFAOYSA-N
BMGC_DG12366,BMG_DG166678,CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2,C(C(CN1CCCCC1)C)(c2ccc(cc2)C)=O,"InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3",FSKFPVLPFLJRQB-UHFFFAOYSA-N
BMGC_DG12367,BMG_DG166680,C1=CC2=C(C=C1Cl)OC3=C(C(=C(C=C23)Cl)Cl)Cl,c12cc(Cl)c(Cl)c(Cl)c1oc3cc(Cl)ccc32,InChI=1S/C12H4Cl4O/c13-5-1-2-6-7-4-8(14)10(15)11(16)12(7)17-9(6)3-5/h1-4H,BROFYOSLFHTGCQ-UHFFFAOYSA-N
BMGC_DG12368,BMG_DG166681,C1=CC2=C(C=C1Cl)C3=CC(=C(C(=C3O2)Cl)Cl)Cl,c12c3c(ccc(c3)Cl)oc1c(c(Cl)c(c2)Cl)Cl,InChI=1S/C12H4Cl4O/c13-5-1-2-9-6(3-5)7-4-8(14)10(15)11(16)12(7)17-9/h1-4H,IIKXRERKNIJJQY-UHFFFAOYSA-N
BMGC_DG12369,BMG_DG166688,C1=CC2=C(C(=C1)Cl)OC3=C2C(=CC(=C3)Cl)Cl,c12c(Cl)cc(Cl)cc1oc3c(Cl)cccc32,InChI=1S/C12H5Cl3O/c13-6-4-9(15)11-7-2-1-3-8(14)12(7)16-10(11)5-6/h1-5H,AGPTXRLVBIRYLV-UHFFFAOYSA-N
BMGC_DG12370,BMG_DG166695,C1=CC2=C(C=C1Cl)C3=C(O2)C(=C(C=C3)Cl)Cl,c12c3c(c(c(cc3)Cl)Cl)oc1ccc(Cl)c2,InChI=1S/C12H5Cl3O/c13-6-1-4-10-8(5-6)7-2-3-9(14)11(15)12(7)16-10/h1-5H,YTZWNIQGGIJHJX-UHFFFAOYSA-N
BMGC_DG12371,BMG_DG166703,C1=CC(=C(C2=C1C3=C(O2)C(=CC(=C3Cl)Cl)Cl)Cl)Cl,c12c(Cl)c(Cl)cc(Cl)c1oc3c(Cl)c(Cl)ccc32,InChI=1S/C12H3Cl5O/c13-5-2-1-4-8-9(16)6(14)3-7(15)12(8)18-11(4)10(5)17/h1-3H,BQTCODOVGXJHRB-UHFFFAOYSA-N
BMGC_DG12372,BMG_DG166707,C1=C(C=C(C2=C1OC3=CC(=C(C(=C32)Cl)Cl)Cl)Cl)Cl,c12c(Cl)c(Cl)c(Cl)cc1oc3cc(Cl)cc(Cl)c32,InChI=1S/C12H3Cl5O/c13-4-1-5(14)9-7(2-4)18-8-3-6(15)11(16)12(17)10(8)9/h1-3H,JVUSEQPOWCBYNG-UHFFFAOYSA-N
BMGC_DG12373,BMG_DG166725,,c1(c([nH]c(n1)CCCC)Cl)C=O,,JLVIHQCWASNXCK-UHFFFAOYSA-N
BMGC_DG12374,BMG_DG166733,CC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)C3=NC=CC=N3)C,N1(C(CC(CC1=O)(C)C)=O)CCCCN2CCN(c3ncccn3)CC2,"InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3",QOIGKGMMAGJZNZ-UHFFFAOYSA-N
BMGC_DG12375,BMG_DG166741,,P(C1=CCNCC1)(O)(=O)C,,MFUKVPOVVKKLRQ-UHFFFAOYSA-N
BMGC_DG12376,BMG_DG166744,,c12c(nc(c(c1NCCCC)C(=O)OCC)C)n(CC)nc2,,PCTRYMLLRKWXGF-UHFFFAOYSA-N
BMGC_DG12377,BMG_DG166745,C1=CC(=C(C(=C1)OCC2=CC=C(C=C2)C(=O)O)C=O)O,c1(c(OCc2ccc(C(=O)O)cc2)cccc1O)C=O,"InChI=1S/C15H12O5/c16-8-12-13(17)2-1-3-14(12)20-9-10-4-6-11(7-5-10)15(18)19/h1-8,17H,9H2,(H,18,19)",XEDONBRPTABQFB-UHFFFAOYSA-N
BMGC_DG12378,BMG_DG166750,C1CCC2=C(C1)C=CC=C2NC3=NCCN3,C1(Nc2c3c(CCCC3)ccc2)=NCCN1,"InChI=1S/C13H17N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16)",QQJLHRRUATVHED-UHFFFAOYSA-N
BMGC_DG12379,BMG_DG166751,CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O,C12=C3C(=CC(CC3)=O)CC[C@]1([C@@]4(CC[C@]([C@]4(C[C@@H]2c5ccc(cc5)N(C)C)C)(C#CC)O)[H])[H],"InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1",VKHAHZOOUSRJNA-GCNJZUOMSA-N
BMGC_DG12380,BMG_DG166762,C1CC(CCC1CN)C(=O)O,C([C@H]1CC[C@H](CC1)CN)(=O)O;C([C@@H]1CC[C@H](CC1)CN)(=O)O,"InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)",GYDJEQRTZSCIOI-UHFFFAOYSA-N;GYDJEQRTZSCIOI-KNVOCYPGSA-N;GYDJEQRTZSCIOI-LJGSYFOKSA-N
BMGC_DG12381,BMG_DG166764,CCC1=C(NC(=O)N1)C(=O)C2=CC=NC=C2,c1([nH]c(=O)[nH]c1CC)C(=O)c2ccncc2,"InChI=1S/C11H11N3O2/c1-2-8-9(14-11(16)13-8)10(15)7-3-5-12-6-4-7/h3-6H,2H2,1H3,(H2,13,14,16)",OQGWJZOWLHWFME-UHFFFAOYSA-N
BMGC_DG12382,BMG_DG166780,CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5CO[C@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl,C(n1cncn1)[C@]2(O[C@H](CO2)COc3ccc(cc3)N4CCN(CC4)c5ccc(cc5)-n6c(=O)n(nc6)C(CC)C)c7c(Cl)cc(cc7)Cl,"InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1",VHVPQPYKVGDNFY-ZPGVKDDISA-N
BMGC_DG12383,BMG_DG166781,C1CN(CCN1CCCC2(OCCO2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5,C1(OCCO1)(c2ccccc2)CCCN3CCN(CC3)C(c4ccccc4)c5ccccc5,"InChI=1S/C29H34N2O2/c1-4-11-25(12-5-1)28(26-13-6-2-7-14-26)31-21-19-30(20-22-31)18-10-17-29(32-23-24-33-29)27-15-8-3-9-16-27/h1-9,11-16,28H,10,17-24H2",LRMJAFKKJLRDLE-UHFFFAOYSA-N
BMGC_DG12384,BMG_DG166816,C1C(C1N)C2=CC=CC=C2,,"InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2",AELCINSCMGFISI-UHFFFAOYSA-N
BMGC_DG12385,BMG_DG166824,CCN(CC)C1=CC(=NC2=NC=NN12)C,n12c(N(CC)CC)cc(C)nc1ncn2,"InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3",GSNOZLZNQMLSKJ-UHFFFAOYSA-N
BMGC_DG12386,BMG_DG166830,C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl,n12c(n(CCCN3CCN(CC3)c4cc(Cl)ccc4)nc1cccc2)=O,"InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2",PHLBKPHSAVXXEF-UHFFFAOYSA-N
BMGC_DG12387,BMG_DG166831,C[C@@H](C(=O)N1CC2=CC(=C(C=C2C[C@H]1C(=O)O)OC)OC)N[C@@H](CCC3=CC=CC=C3)C(=O)O,C1c2cc(OC)c(OC)cc2C[C@@H](C(=O)O)N1C([C@@H](N[C@H](C(=O)O)CCc3ccccc3)C)=O,"InChI=1S/C25H30N2O7/c1-15(26-19(24(29)30)10-9-16-7-5-4-6-8-16)23(28)27-14-18-13-22(34-3)21(33-2)12-17(18)11-20(27)25(31)32/h4-8,12-13,15,19-20,26H,9-11,14H2,1-3H3,(H,29,30)(H,31,32)/t15-,19-,20-/m0/s1",CMPAGYDKASJORH-YSSFQJQWSA-N
BMGC_DG12388,BMG_DG166833,CCOC1=CC(=C(C=C1C(=O)CCC(=O)O)OCC)OCC,c1(c(cc(OCC)c(c1)OCC)OCC)C(CCC(O)=O)=O,"InChI=1S/C16H22O6/c1-4-20-13-10-15(22-6-3)14(21-5-2)9-11(13)12(17)7-8-16(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)",YPTFHLJNWSJXKG-UHFFFAOYSA-N
BMGC_DG12389,BMG_DG166835,C(CCCN=C(N)N)CCC(=O)NC(C(=O)NCCCCNCCCN)O,N(C(O)C(=O)NCCCCNCCCN)C(CCCCCCNC(=N)N)=O,"InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23)",IDINUJSAMVOPCM-UHFFFAOYSA-N
BMGC_DG12390,BMG_DG166836,CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCN3C(=O)N2C)OC)OC)C,c1(c(cc2CCn3c(-c2c1)cc(=Nc4c(cc(cc4C)C)C)n(C)c3=O)OC)OC,"InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3",MCMSJVMUSBZUCN-UHFFFAOYSA-N
BMGC_DG12391,BMG_DG166837,,,,
BMGC_DG12392,BMG_DG166839,C1=CC2=CN=CN2C(=C1)CCCCCC(=O)O,n12c(cnc1)cccc2CCCCCC(=O)O,"InChI=1S/C13H16N2O2/c16-13(17)8-3-1-2-5-11-6-4-7-12-9-14-10-15(11)12/h4,6-7,9-10H,1-3,5,8H2,(H,16,17)",LIFOFTJHFFTNRV-UHFFFAOYSA-N
BMGC_DG12393,BMG_DG166853,CCCN1CCCC(C1)C2=CC(=CC=C2)O,C(CC)N1CC(CCC1)c2cc(O)ccc2,"InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3",HTSNFXAICLXZMA-UHFFFAOYSA-N
BMGC_DG12394,BMG_DG166856,C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N,c12c(nc(c(n1)N)-c3ccccc3)c(N)nc(n2)N,"InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)",FNYLWPVRPXGIIP-UHFFFAOYSA-N
BMGC_DG12395,BMG_DG166859,CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Gd+3],N(CCN(CC(=O)[O-])CC(=O)[O-])(CCN(CC(=O)[O-])CC(=O)[O-])CC([O-])=O.[Gd+3].OC[C@H]([C@H]([C@@H]([C@H](CNC)O)O)O)O.[H+].OC[C@H]([C@H]([C@@H]([C@H](CNC)O)O)O)O.[H+],"InChI=1S/C14H23N3O10.2C7H17NO5.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1",LGMLJQFQKXPRGA-VPVMAENOSA-K
BMGC_DG12396,BMG_DG166861,CN1C(=NC(=N1)CO)NCCCOC2=CC=CC(=C2)CN3CCCCC3,n1c(n(C)nc1CO)NCCCOc2cc(CN3CCCCC3)ccc2,"InChI=1S/C19H29N5O2/c1-23-19(21-18(15-25)22-23)20-9-6-12-26-17-8-5-7-16(13-17)14-24-10-3-2-4-11-24/h5,7-8,13,25H,2-4,6,9-12,14-15H2,1H3,(H,20,21,22)",VTLNPNNUIJHJQB-UHFFFAOYSA-N
BMGC_DG12397,BMG_DG166863,CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])C2=CC=CC=C2.[Cl-],[C@]1([C@@H](CN)C1)(C(N(CC)CC)=O)c2ccccc2.Cl,"InChI=1S/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15+;/m1./s1",XNCDYJFPRPDERF-PBCQUBLHSA-N
BMGC_DG12398,BMG_DG166864,CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCCCC3=NC=C(C=C3C)Br,n1c(c(Cc2cnc(cc2)C)c[nH]c1NCCCCc3ncc(cc3C)Br)=O,"InChI=1S/C21H24BrN5O/c1-14-9-18(22)13-25-19(14)5-3-4-8-23-21-26-12-17(20(28)27-21)10-16-7-6-15(2)24-11-16/h6-7,9,11-13H,3-5,8,10H2,1-2H3,(H2,23,26,27,28)",OGEAASSLWZDQBM-UHFFFAOYSA-N
BMGC_DG12399,BMG_DG166865,C1=CC=C(C=C1)CCNCCCCCCNCCC2=CC(=C(C=C2)O)O,c1(c(ccc(c1)CCNCCCCCCNCCc2ccccc2)O)O,"InChI=1S/C22H32N2O2/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2",RYBJORHCUPVNMB-UHFFFAOYSA-N
BMGC_DG12400,BMG_DG166870,,c12c3c(ccc1oc(c2C)[N+](=O)[O-])cccc3,,CVUUOLKFENQCEZ-UHFFFAOYSA-N
BMGC_DG12401,BMG_DG166875,CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl,n12-c3c(C(c4c(Cl)cccc4)=NCc1nnc2C)cc(cc3)Cl,"InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3",JOFWLTCLBGQGBO-UHFFFAOYSA-N
BMGC_DG12402,BMG_DG166881,C(Br)(Br)Br,C(Br)(Br)Br,InChI=1S/CHBr3/c2-1(3)4/h1H,DIKBFYAXUHHXCS-UHFFFAOYSA-N
BMGC_DG12403,BMG_DG166883,CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CN=CN2)N,,"InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)",HEAUFJZALFKPBA-UHFFFAOYSA-N
BMGC_DG12404,BMG_DG166884,CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)N,,"InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)",NHXYSAFTNPANFK-UHFFFAOYSA-N
BMGC_DG12405,BMG_DG166886,C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)Cl,S1(NC(C(Cl)Cl)Nc2c1cc(S(=O)(=O)N)c(Cl)c2)(=O)=O,"InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)",LMJSLTNSBFUCMU-UHFFFAOYSA-N
BMGC_DG12406,BMG_DG166889,C(C(Cl)(Cl)Cl)OP(=O)(O)O,OP(O)(=O)OCC(Cl)(Cl)Cl,"InChI=1S/C2H4Cl3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)",YYQRGCZGSFRBAM-UHFFFAOYSA-N
BMGC_DG12407,BMG_DG166890,C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl,O(c1c(cc(cc1)Cl)Cl)c2c(cc(cc2)Cl)O,"InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H",XEFQLINVKFYRCS-UHFFFAOYSA-N
BMGC_DG12408,BMG_DG166893,C(CNCCNCCN)N,NCCNCCNCCN,"InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2",VILCJCGEZXAXTO-UHFFFAOYSA-N
BMGC_DG12409,BMG_DG166896,CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl,[C@@]12(OCCC1)C[C@@H]([C@@H](N(C(Cc3cc(c(Cl)cc3)Cl)=O)C)CC2)N4CCCC4,"InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3/t19-,20-,22-/m0/s1",NYKCGQQJNVPOLU-ONTIZHBOSA-N
BMGC_DG12410,BMG_DG166897,CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F,N1(c2c(ccc(C(F)(F)F)c2)Sc3c1cccc3)CCCN4CCN(CC4)C,"InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3",ZEWQUBUPAILYHI-UHFFFAOYSA-N
BMGC_DG12411,BMG_DG166899,C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)CCCC(=O)C3=CC=C(C=C3)F,C(c1cccc(c1)C2(CCN(CC2)CCCC(c3ccc(cc3)F)=O)O)(F)(F)F,"InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2",GPMXUUPHFNMNDH-UHFFFAOYSA-N
BMGC_DG12412,BMG_DG166901,CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F,N1(c2c(ccc(C(F)(F)F)c2)Sc3c1cccc3)CCCN(C)C,"InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3",XSCGXQMFQXDFCW-UHFFFAOYSA-N
BMGC_DG12413,BMG_DG166905,COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=NC=C3,COc1cc(ccc1-c2[nH]c3c(ccnc3)n2)[S+](C)[O-],"InChI=1S/C14H13N3O2S/c1-19-13-7-9(20(2)18)3-4-10(13)14-16-11-5-6-15-8-12(11)17-14/h3-8H,1-2H3,(H,16,17)",JQUKCPUPFALELS-UHFFFAOYSA-N
BMGC_DG12414,BMG_DG166915,C1=C(NC(=O)C2=C1NC=N2)N,c12c([nH]c(cc1[nH]cn2)N)=O,"InChI=1S/C6H6N4O/c7-4-1-3-5(6(11)10-4)9-2-8-3/h1-2H,(H,8,9)(H3,7,10,11)",KXBCLNRMQPRVTP-UHFFFAOYSA-N
BMGC_DG12415,BMG_DG166917,CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)C3=NCCO3,n1oc(CCCCCCCOc2ccc(C3=NCCO3)cc2)cc1C,"InChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3",FKLJPTJMIBLJAV-UHFFFAOYSA-N
BMGC_DG12416,BMG_DG166919,C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O,C(O)(C1CCCCC1)(c2ccccc2)CCN3CCCCC3,"InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2",HWHLPVGTWGOCJO-UHFFFAOYSA-N
BMGC_DG12417,BMG_DG166922,CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C,c1(c(cc(cc1OC)C(OCC(N(C)C)(c2ccccc2)CC)=O)OC)OC,"InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3",LORDFXWUHHSAQU-UHFFFAOYSA-N
BMGC_DG12418,BMG_DG166924,CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C,N1(c2c(cccc2)Sc3c1cccc3)CC(CN(C)C)C,"InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3",ZZHLYYDVIOPZBE-UHFFFAOYSA-N
BMGC_DG12419,BMG_DG166933,,c1(nsc2c1cccc2)N3CCN(CC3)CCCCN4C(CC5(CC4=O)CCCC5)=O,,ZFZPJDFBJFHYIV-UHFFFAOYSA-N
BMGC_DG12420,BMG_DG166937,CC1(C(=O)N(C(=O)O1)C)C,N1(C(OC(C1=O)(C)C)=O)C,InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3,IRYJRGCIQBGHIV-UHFFFAOYSA-N
BMGC_DG12421,BMG_DG166939,CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC,c1(c(cc(cc1OC)C(NCc2ccc(cc2)OCCN(C)C)=O)OC)OC,"InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)",FEZBIKUBAYAZIU-UHFFFAOYSA-N
BMGC_DG12422,BMG_DG166940,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,n1c(c(Cc2cc(OC)c(c(c2)OC)OC)cnc1N)N,"InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)",IEDVJHCEMCRBQM-UHFFFAOYSA-N
BMGC_DG12423,BMG_DG166945,C(CC(=O)C(=O)O)CN=C(N)N,,"InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)",ARBHXJXXVVHMET-UHFFFAOYSA-N
BMGC_DG12424,BMG_DG166946,COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CCN2)O)O,C1c2c(cc(c(O)c2)O)C(Cc3cc(c(c(c3)OC)OC)OC)NC1,"InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3",RGVPOXRFEPSFGH-UHFFFAOYSA-N
BMGC_DG12425,BMG_DG166950,CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC,n1c(c2c(c(CNc3cc(OC)c(c(c3)OC)OC)ccc2nc1N)C)N,"InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)",NOYPYLRCIDNJJB-UHFFFAOYSA-N
BMGC_DG12426,BMG_DG166952,CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C,N1(c2c(CCc3c1cccc3)cccc2)CC(CN(C)C)C,"InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3",ZSCDBOWYZJWBIY-UHFFFAOYSA-N
BMGC_DG12427,BMG_DG166957,CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C,c12c(c(C)cc(o1)=O)cc3c(c2C)oc(C)c3,"InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3",FMHHVULEAZTJMA-UHFFFAOYSA-N
BMGC_DG12428,BMG_DG166959,CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2,N(c1ncccc1)(Cc2ccccc2)CCN(C)C,"InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3",UFLGIAIHIAPJJC-UHFFFAOYSA-N
BMGC_DG12429,BMG_DG166964,CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3,c1cc(CCCCP(CC(=O)N2C[C@@]([H])(C[C@@]2([H])C(=O)O)C3CCCCC3)(OC(OC(CC)=O)C(C)C)=O)ccc1,"InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30?,39?/m1/s1",BIDNLKIUORFRQP-FKDWWROVSA-N
BMGC_DG12430,BMG_DG166972,CC1=C(C2=C(CCC(O2)(C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C(=C1O)C)C,,"InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)",GXPHKUHSUJUWKP-UHFFFAOYSA-N
BMGC_DG12431,BMG_DG166976,C1CC(=O)NN=C1C2=CC=C(C=C2)N3C=CN=C3,N=1NC(=O)CCC1c2ccc(-n3cncc3)cc2,"InChI=1S/C13H12N4O/c18-13-6-5-12(15-16-13)10-1-3-11(4-2-10)17-8-7-14-9-17/h1-4,7-9H,5-6H2,(H,16,18)",VXMYWVMXSWJFCV-UHFFFAOYSA-N
BMGC_DG12432,BMG_DG166977,CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2,C(C(c1ccccc1)CO)(N(Cc2ccncc2)CC)=O,"InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3",BGDKAVGWHJFAGW-UHFFFAOYSA-N
BMGC_DG12433,BMG_DG166982,C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O,,"InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1",OYYDSUSKLWTMMQ-UHFFFAOYSA-N
BMGC_DG12434,BMG_DG166985,COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCNC2,C(c1cc(c(c(c1)OC)OC)OC)(=O)NC2CNCCC2,"InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)",YSIITVVESCNIPR-UHFFFAOYSA-N
BMGC_DG12435,BMG_DG166987,C1=CC=C2C(=C1)C(=CN2)CC(=N)C(=O)O,,"InChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,12-13H,5H2,(H,14,15)",LKYWXXAVLLVJAS-UHFFFAOYSA-N
BMGC_DG12436,BMG_DG166988,,c12c([C@@H](CN(C1)C)c3ccccc3)cccc2N,,XXPANQJNYNUNES-AWEZNQCLSA-N
BMGC_DG12437,BMG_DG166993,C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F,c1(C(CC(C(F)(F)F)=O)=O)cccs1,"InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2",TXBBUSUXYMIVOS-UHFFFAOYSA-N
BMGC_DG12438,BMG_DG166996,C[C@@]1([C@@H](N2C(S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3,,"InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7?,8-,10-/m0/s1",LPQZKKCYTLCDGQ-CFGJQEBVSA-N
BMGC_DG12439,BMG_DG166997,CC(=O)N(CC(COC)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I,c1(c(c(C(NCC(O)CO)=O)c(c(c1I)C(NCC(O)CO)=O)I)I)N(C(=O)C)CC(O)COC,"InChI=1S/C20H28I3N3O9/c1-9(29)26(5-12(32)8-35-2)18-16(22)13(19(33)24-3-10(30)6-27)15(21)14(17(18)23)20(34)25-4-11(31)7-28/h10-12,27-28,30-32H,3-8H2,1-2H3,(H,24,33)(H,25,34)",IUNJANQVIJDFTQ-UHFFFAOYSA-N
BMGC_DG12440,BMG_DG167002,CCCCCC(C)N,NC(CCCCC)C,"InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3",VSRBKQFNFZQRBM-UHFFFAOYSA-N
BMGC_DG12441,BMG_DG167004,CC1=C(C(=CC=C1)CC2=CN=CN2)C,n1c(Cc2c(c(C)ccc2)C)c[nH]c1,"InChI=1S/C12H14N2/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12/h3-5,7-8H,6H2,1-2H3,(H,13,14)",RHDJRPPFURBGLQ-UHFFFAOYSA-N
BMGC_DG12442,BMG_DG167007,CC(CCC1=CC=C(C=C1)O)NCC(C2=CC=C(C=C2)O)O,c1(ccc(cc1)O)C(CNC(CCc2ccc(cc2)O)C)O,"InChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3",YJQZYXCXBBCEAQ-UHFFFAOYSA-N
BMGC_DG12443,BMG_DG167010,CC(C)(C)NCC(C1=CC=CC=C1Cl)O,c1(c(Cl)cccc1)C(CNC(C)(C)C)O,"InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3",YREYLAVBNPACJM-UHFFFAOYSA-N
BMGC_DG12444,BMG_DG167012,,Fc1ccc(cc1)S(=O)(=O)C[C@](C)(O)C(=O)Nc2cc(C(F)(F)F)c(cc2)C#N,,LKJPYSCBVHEWIU-KRWDZBQOSA-N
BMGC_DG12445,BMG_DG167018,C1=CC(=CC=C1CCN)O,c1(ccc(cc1)CCN)O,"InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2",DZGWFCGJZKJUFP-UHFFFAOYSA-N
BMGC_DG12446,BMG_DG167021,CCCC(=O)NC1=C(C=C(C(=C1I)CC(CC)C(=O)O)I)I,c1(c(c(NC(=O)CCC)c(cc1I)I)I)CC(C(=O)O)CC,"InChI=1S/C15H18I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22)",YMOXVLQZFAUUKI-UHFFFAOYSA-N
BMGC_DG12447,BMG_DG167025,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N,c1(c(c(cc(c1)C=C(C#N)C#N)C(C)(C)C)O)C(C)(C)C,"InChI=1S/C18H22N2O/c1-17(2,3)14-8-12(7-13(10-19)11-20)9-15(16(14)21)18(4,5)6/h7-9,21H,1-6H3",MZOPWQKISXCCTP-UHFFFAOYSA-N
BMGC_DG12448,BMG_DG167031,CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl,,"InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3",VQLPLYSROCPWFF-UHFFFAOYSA-N
BMGC_DG12449,BMG_DG167033,CN(C1CCC2(CCCO2)CC1N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl,,"InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3",NYKCGQQJNVPOLU-UHFFFAOYSA-N
BMGC_DG12450,BMG_DG167035,CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F,c1(c(c2cc(F)c(cc2n(c1)-c3ccc(cc3)F)N4CCN(CC4)C)=O)C(=O)O,"InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)",NOCJXYPHIIZEHN-UHFFFAOYSA-N
BMGC_DG12451,BMG_DG167037,C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F,c1(cn(-c2ccc(cc2)F)c3cc(N4CCNCC4)c(cc3c1=O)F)C(=O)O,"InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)",XBHBWNFJWIASRO-UHFFFAOYSA-N
BMGC_DG12452,BMG_DG167043,CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C,c1([nH]c2ccc(NS(=O)(=O)C)cc2c1)C(N3CCN(c4c(NC(C)C)cccn4)CC3)=O,"InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3",WHBIGIKBNXZKFE-UHFFFAOYSA-N
BMGC_DG12453,BMG_DG167053,CSCCC(=O)O,S(C)CCC(=O)O,"InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)",CAOMCZAIALVUPA-UHFFFAOYSA-N
BMGC_DG12454,BMG_DG167056,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCCN3CCC[C@H](N3C2=O)C(=O)O.O,O.c1ccc(CC[C@H](N[C@@H]2C(N3[C@@H](CCCN3CCC2)C(O)=O)=O)C(OCC)=O)cc1,"InChI=1S/C22H31N3O5.H2O/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26;/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28);1H2/t17-,18-,19-;/m0./s1",JQRZBPFGBRIWSN-YOTVLOEGSA-N
BMGC_DG12455,BMG_DG167057,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCCN3CCC[C@H](N3C2=O)C(=O)O,N12CCC[C@@H](C(N2[C@@H](CCC1)C(O)=O)=O)N[C@@H](CCc3ccccc3)C(OCC)=O,"InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1",HHHKFGXWKKUNCY-FHWLQOOXSA-N
BMGC_DG12456,BMG_DG167058,C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)COP(=O)([O-])[O-])C3=CC=CC=C3.[Na+].[Na+],N1(C(C(c2ccccc2)(c3ccccc3)NC1=O)=O)COP([O-])([O-])=O.[Na+].[Na+],"InChI=1S/C16H15N2O6P.2Na/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23;;/h1-10H,11H2,(H,17,20)(H2,21,22,23);;/q;2*+1/p-2",GQPXYJNXTAFDLT-UHFFFAOYSA-L
BMGC_DG12457,BMG_DG167059,C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)COP(=O)(O)O)C3=CC=CC=C3,N1(C(C(c2ccccc2)(c3ccccc3)NC1=O)=O)COP(O)(O)=O,"InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)",XWLUWCNOOVRFPX-UHFFFAOYSA-N
BMGC_DG12458,BMG_DG167060,C=CCCCCCCCCC(=O)O,C(=O)(O)CCCCCCCCC=C,"InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)",FRPZMMHWLSIFAZ-UHFFFAOYSA-N
BMGC_DG12459,BMG_DG167063,CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC,c1(n(c(NCCCN2CCN(CC2)c3c(OC)cccc3)cc(n1C)=O)C)=O,"InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3",ICMGLRUYEQNHPF-UHFFFAOYSA-N
BMGC_DG12460,BMG_DG167066,C(CCC(=O)O)CCN,C(=O)(O)CCCCCN,"InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)",SLXKOJJOQWFEFD-UHFFFAOYSA-N
BMGC_DG12461,BMG_DG167067,CC1=C(N(C(=O)N(C1=O)C)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC,c1c(OC)c(N2CCN(CCCNc3n(c(n(c(c3C)=O)C)=O)C)CC2)ccc1,"InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3",HIHZDNKKIUQQSC-UHFFFAOYSA-N
BMGC_DG12462,BMG_DG167069,CCOC(=O)N,C(=O)(N)OCC,"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)",JOYRKODLDBILNP-UHFFFAOYSA-N
BMGC_DG12463,BMG_DG167076,CC1=C(C(=C2C(=C1O)C3(C(=CC(=O)C(C3=O)C(=O)C)O2)C)C(=O)C)O,,"InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3",CUCUKLJLRRAKFN-UHFFFAOYSA-N
BMGC_DG12464,BMG_DG167077,,c1(c(n(CCN2CCOCC2)c3c1cccc3)C)C(c4ccc(cc4)OC)=O,,MEUQWHZOUDZXHH-UHFFFAOYSA-N
BMGC_DG12465,BMG_DG167080,CCC(C)C(C1=CC=CC=C1)C(=O)OCC[N+](C)(CC)CC,C(C(c1ccccc1)C(CC)C)(=O)OCC[N+](CC)(CC)C,"InChI=1S/C19H32NO2/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3/h9-13,16,18H,6-8,14-15H2,1-5H3/q+1",UPPMZCXMQRVMME-UHFFFAOYSA-N
BMGC_DG12466,BMG_DG167081,,C1(NC(=O)CCC1(c2ccncc2)CC)=O,,QXKJWHWUDVQATH-UHFFFAOYSA-N
BMGC_DG12467,BMG_DG167084,C1=C(C(=CC(=C1O)O)[18F])C[C@@H](C(=O)O)N,c1(c(cc(c(c1)O)O)[18F])C[C@@H](C(=O)O)N,"InChI=1S/C9H10FNO4/c10-5-3-8(13)7(12)2-4(5)1-6(11)9(14)15/h2-3,6,12-13H,1,11H2,(H,14,15)/t6-/m0/s1/i10-1",PAXWQORCRCBOCU-RPDRGXCHSA-N
BMGC_DG12468,BMG_DG167093,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,C(CN(C)C)(C1(O)CCCCC1)c2ccc(cc2)OC,"InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3",PNVNVHUZROJLTJ-UHFFFAOYSA-N
BMGC_DG12469,BMG_DG167101,CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)C3=NC4=CC=CC=C4N3CCCCOC.Cl,c1(nc2c(n1CCCCOC)cccc2)C(=O)N([C@@H]3CNC[C@@H](C3)C(=O)N4CCOCC4)CC(C)C.Cl,"InChI=1S/C27H41N5O4.ClH/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-29-23-8-4-5-9-24(23)31(25)10-6-7-13-35-3;/h4-5,8-9,20-22,28H,6-7,10-19H2,1-3H3;1H/t21-,22+;/m1./s1",PUXOYQIZZIWCHH-NSLUPJTDSA-N
BMGC_DG12470,BMG_DG167112,,[C@H](N(C(CC/C=C/CCCCCCCCCCCCC)=O)C)(COC)CO,,CJAVPRNATZCNLN-NBRGKURFSA-N
BMGC_DG12471,BMG_DG167118,CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N,c1(NC(=O)C(C)(C)N)cccc(c1)S(Nc2nc3ccccc3nc2Nc4c(ccc(c4)OC)Cl)(=O)=O,"InChI=1S/C25H25ClN6O4S/c1-25(2,27)24(33)28-15-7-6-8-17(13-15)37(34,35)32-23-22(29-19-9-4-5-10-20(19)30-23)31-21-14-16(36-3)11-12-18(21)26/h4-14H,27H2,1-3H3,(H,28,33)(H,29,31)(H,30,32)",QINPEPAQOBZPOF-UHFFFAOYSA-N
BMGC_DG12472,BMG_DG167163,C1CCC(C(C1)N2CCC(CC2)C3=CC=CC=C3)O,,"InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2",YSSBJODGIYRAMI-UHFFFAOYSA-N
BMGC_DG12473,BMG_DG167167,COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC4=C(C=C3)NC(=O)CC4)OC,C(N1CCN(CC1)c2cc3CCC(Nc3cc2)=O)(c4cc(OC)c(cc4)OC)=O,"InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)",ZVNYJIZDIRKMBF-UHFFFAOYSA-N
BMGC_DG12474,BMG_DG167180,CC(C)(C)C1=CC(=CC(=C1OC)C2=CC3=C(C=C2)C=C(C=C3)NS(=O)(=O)C)N4C=CC(=O)NC4=O,CS(Nc1cc2c(cc1)cc(cc2)-c3cc(cc(c3OC)C(C)(C)C)-n4c([nH]c(cc4)=O)=O)(=O)=O,"InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31)",NBRBXGKOEOGLOI-UHFFFAOYSA-N
BMGC_DG12475,BMG_DG167189,,CN(C)CCCC1(c2ccc(F)cc2)c3ccc(C(CCCN(C)C)=O)cc3CO1,,AQRPROCETRZTEF-UHFFFAOYSA-N
BMGC_DG12476,BMG_DG167191,CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)OC=C4,c1(ccc(cc1)Nc2nc(c3c(n2)cco3)Oc4cccc(c4)NC(C=C)=O)N5CCN(CC5)C,"InChI=1S/C26H26N6O3/c1-3-23(33)27-19-5-4-6-21(17-19)35-25-24-22(11-16-34-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)",LZMJNVRJMFMYQS-UHFFFAOYSA-N
BMGC_DG12477,BMG_DG167198,CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C=C(C(=O)N(C4=N3)C5CCCC5)C#N,n1c(nc2c(c1)cc(c(n2C3CCCC3)=O)C#N)Nc4ccc(cc4)N5CCN(CC5)C,"InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28)",VADOZMZXXRBXNY-UHFFFAOYSA-N
BMGC_DG12478,BMG_DG167201,CCCC1=C(C=CC(=N1)C(F)(F)F)/C=C/C(=O)N[C@H](C)C2=CC(=C(C(=C2)F)NS(=O)(=O)C)F,C(/C=C/c1c(nc(cc1)C(F)(F)F)CCC)(=O)N[C@H](C)c2cc(c(c(c2)F)NS(=O)(=O)C)F,"InChI=1S/C21H22F5N3O3S/c1-4-5-17-13(6-8-18(28-17)21(24,25)26)7-9-19(30)27-12(2)14-10-15(22)20(16(23)11-14)29-33(3,31)32/h6-12,29H,4-5H2,1-3H3,(H,27,30)/b9-7+/t12-/m1/s1",UKGJZDSUJSPAJL-YPUOHESYSA-N
BMGC_DG12479,BMG_DG167205,CC(C)(C)C(=O)NCC1=C(C(=C(C=C1)Cl)NC2=NC3=C(N2C)C=C(C(=C3)C(=O)NC4CCC(CC4)C(F)(F)F)OCC(F)F)Cl,Cn1c2c(nc1Nc3c(Cl)c(CNC(C(C)(C)C)=O)ccc3Cl)cc(c(c2)OCC(F)F)C(N[C@@H]4CC[C@H](CC4)C(F)(F)F)=O,"InChI=1S/C30H34Cl2F5N5O3/c1-29(2,3)27(44)38-13-15-5-10-19(31)25(24(15)32)41-28-40-20-11-18(22(45-14-23(33)34)12-21(20)42(28)4)26(43)39-17-8-6-16(7-9-17)30(35,36)37/h5,10-12,16-17,23H,6-9,13-14H2,1-4H3,(H,38,44)(H,39,43)(H,40,41)",PFORUFFGGNOLPJ-UHFFFAOYSA-N;PFORUFFGGNOLPJ-QAQDUYKDSA-N
BMGC_DG12480,BMG_DG167206,CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F,Cc1nc(NC(N2CCC[C@H]2C(=O)N)=O)sc1-c3ccnc(C(C)(C)C(F)(F)F)c3,"InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1",STUWGJZDJHPWGZ-LBPRGKRZSA-N
BMGC_DG12481,BMG_DG167208,B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)CC2=CC=CS2)O,N([C@H]1CC[C@@H](CC(=O)O)OB1O)C(=O)Cc2sccc2,"InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1",IOOWNWLVCOUUEX-WPRPVWTQSA-N
BMGC_DG12482,BMG_DG167209,C=CC(CCC(=O)O)N,C(=O)(CCC(C=C)N)O,"InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)",PJDFLNIOAUIZSL-UHFFFAOYSA-N
BMGC_DG12483,BMG_DG167218,CC(C)CCCC1=CC2=C(C=C1)C=C(C=C2)C(=O)O,,"InChI=1S/C17H20O2/c1-12(2)4-3-5-13-6-7-15-11-16(17(18)19)9-8-14(15)10-13/h6-12H,3-5H2,1-2H3,(H,18,19)",ZQLORCYRMVILSV-UHFFFAOYSA-N
BMGC_DG12484,BMG_DG167219,,C(c1ccc(cc1)C)(=O)NCCCCCC(=O)Nc2c(cccc2)N,,VOPDXHFYDJAYNS-UHFFFAOYSA-N
BMGC_DG12485,BMG_DG167224,CCOC1=CC=CC=C1OCC2CNCCO2,N1CC(OCC1)COc2c(cccc2)OCC,"InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3",YWPHCCPCQOJSGZ-UHFFFAOYSA-N
BMGC_DG12486,BMG_DG167233,,n1(C2CCNCC2)cc(-c3cc(c(nc3)N)O[C@H](c4c(c(ccc4Cl)F)Cl)C)cn1,,KTEIFNKAUNYNJU-LBPRGKRZSA-N
BMGC_DG12487,BMG_DG167238,CCCCCCCCCCCCCCCCOCCCOP(=O)(COC(CN1C=CC(=NC1=O)N)CO)O,,"InChI=1S/C27H52N3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-35-20-16-21-37-38(33,34)24-36-25(23-31)22-30-18-17-26(28)29-27(30)32/h17-18,25,31H,2-16,19-24H2,1H3,(H,33,34)(H2,28,29,32)",WXJFKKQWPMNTIM-UHFFFAOYSA-N
BMGC_DG12488,BMG_DG167285,C1=CC=C2C(=C1)C3=CC=CC=C3O2,c1cc2c3c(oc2cc1)cccc3,InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H,TXCDCPKCNAJMEE-UHFFFAOYSA-N
BMGC_DG12489,BMG_DG167290,C1=CC2=C(C=CC=C2Cl)C(=C1)S(=O)(=O)NCCCCCCN,,"InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2",IDEHCMNLNCJQST-UHFFFAOYSA-N
BMGC_DG12490,BMG_DG167297,C1=C2C(=NC=NN2C(=C1)[C@]3([C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C#N)N,[C@@H]1(O[C@]([C@@H]([C@@H]1O)O)(c2n3c(cc2)c(ncn3)N)C#N)COP(OP(OP(O)(=O)O)(=O)O)(=O)O,"InChI=1S/C12H16N5O13P3/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h1-2,5,7,9-10,18-19H,3H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,12+/m1/s1",DFVPCNAMNAPBCX-LTGWCKQJSA-N
BMGC_DG12491,BMG_DG167303,,Cc1c(F)cccc1[C@H]2COC(N)=N2,,IOHOUWIYOVWGHV-SECBINFHSA-N
BMGC_DG12492,BMG_DG167309,C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)C3=CC=CC=C3,c12cc(ccc1OCCO2)C(CCC(c3ccccc3)=O)=O,"InChI=1S/C18H16O4/c19-15(13-4-2-1-3-5-13)7-8-16(20)14-6-9-17-18(12-14)22-11-10-21-17/h1-6,9,12H,7-8,10-11H2",AOCDRSSVFUCURK-UHFFFAOYSA-N
BMGC_DG12493,BMG_DG167314,C1=CC(=CC=C1CCSC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)S(=O)(=O)O,,"InChI=1S/C18H21N5O7S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)30-17)22-18(21-15)31-6-5-9-1-3-10(4-2-9)32(27,28)29/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,27,28,29)/t11-,13-,14-,17-/m1/s1",MSSJGFVZLYCDOA-LSCFUAHRSA-N
BMGC_DG12494,BMG_DG167315,CN1CCN(CC1)CC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)N(C)C)Cl,c1(ccc(cc1)Nc2nc(c(cn2)Cl)Nc3c(cccc3)S(=O)(=O)N(C)C)CN4CCN(CC4)C,"InChI=1S/C24H30ClN7O2S/c1-30(2)35(33,34)22-7-5-4-6-21(22)28-23-20(25)16-26-24(29-23)27-19-10-8-18(9-11-19)17-32-14-12-31(3)13-15-32/h4-11,16H,12-15,17H2,1-3H3,(H2,26,27,28,29)",YUAALFPUEOYPNX-UHFFFAOYSA-N
BMGC_DG12495,BMG_DG167316,COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4,c1(c(cccc1)N2CCN(CCN(c3ncccc3)C(=O)C4CCCCC4)CC2)OC,"InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3",SBPRIAGPYFYCRT-UHFFFAOYSA-N
BMGC_DG12496,BMG_DG167333,C1=CC(=CC(=C1)[123I])CN=C(N)N.C1=CC(=CC(=C1)[123I])CN=C(N)N.OS(=O)(=O)O,C(N)(NCc1cc([123I])ccc1)=N.OS(O)(=O)=O.C(N)(NCc1cc([123I])ccc1)=N,"InChI=1S/2C8H10IN3.H2O4S/c2*9-7-3-1-2-6(4-7)5-12-8(10)11;1-5(2,3)4/h2*1-4H,5H2,(H4,10,11,12);(H2,1,2,3,4)/i2*9-4;",XNACDNPGABUBFR-FKNPGSCZSA-N
BMGC_DG12497,BMG_DG167361,CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF.C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O,,"InChI=1S/C25H31F3O5S.C25H37NO4/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4;27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3;3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2/t13-,15+,16+,18+,19+,22+,23+,24?,25+;/m1./s1",YYAZJTUGSQOFHG-IAVNQIGZSA-N
BMGC_DG12498,BMG_DG167387,CC[C@H]1CCCC([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C.CC[C@H]1CCCC([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C(=C[C@H]3[C@@H]2CC(=O)O1)C)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C,,"InChI=1S/C42H67NO10.C41H65NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42;1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3;14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35?,37+,39+,40-,41-,42+;22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34?,36+,38+,39-,40-,41+/m11/s1",JFLRKDZMHNBDQS-GQHNJWLYSA-N
BMGC_DG12499,BMG_DG167459,C[C@@H](C(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O)O,[H][C@]12CCC3=CC(C=C[C@]3(C)[C@]2([C@@H](O)C[C@@]4(C)[C@@]1([H])CC[C@]4(O)C(=O)[C@H](C)O)F)=O,"InChI=1S/C22H29FO5/c1-12(24)18(27)21(28)9-7-15-16-5-4-13-10-14(25)6-8-19(13,2)22(16,23)17(26)11-20(15,21)3/h6,8,10,12,15-17,24,26,28H,4-5,7,9,11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",SLVCCRYLKTYUQP-DVTGEIKXSA-N
BMGC_DG12500,BMG_DG167469,,,,
BMGC_DG12501,BMG_DG167507,COC(=O)[C@@H](C1=CC=CC=C1)N2CCC(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=C(C=C5)C(F)(F)F,c1cc(ccc1-c2c(cccc2)C(=O)Nc3ccc(cc3)C4CCN(CC4)[C@H](c5ccccc5)C(OC)=O)C(F)(F)F,"InChI=1S/C34H31F3N2O3/c1-42-33(41)31(26-7-3-2-4-8-26)39-21-19-24(20-22-39)23-13-17-28(18-14-23)38-32(40)30-10-6-5-9-29(30)25-11-15-27(16-12-25)34(35,36)37/h2-18,24,31H,19-22H2,1H3,(H,38,40)/t31-/m1/s1",WSYALRNYQFNNGP-WJOKGBTCSA-N
BMGC_DG12502,BMG_DG167517,COC1=C(C=C(C=C1)CC2C(=O)NC(=O)O2)C(=O)NCC3=CC=C(C=C3)C(F)(F)F,N1C(C(Cc2ccc(c(C(=O)NCc3ccc(cc3)C(F)(F)F)c2)OC)OC1=O)=O,"InChI=1S/C20H17F3N2O5/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,16H,9-10H2,1H3,(H,24,26)(H,25,27,28)",ORZMUVMQJPGFOM-UHFFFAOYSA-N
BMGC_DG12503,BMG_DG167543,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O,,"InChI=1S/C22H32O2.C20H30O2.C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24);3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22);3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;4-3-,7-6-,10-9-,13-12-,16-15-;4-3-,7-6-,10-9-",QPEOIOLHJXXJFN-GNGJDXFDSA-N
BMGC_DG12504,BMG_DG167577,,c1([C@H](c2ccccc2)C[C@H](C)O)c(=O)oc3c(cccc3)c1O,,ZUJMMGHIYSAEOU-WFASDCNBSA-N
BMGC_DG12505,BMG_DG167618,CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC6=CN=CN6)N,,"InChI=1S/C187H291N45O59/c1-18-105(10)154(180(282)208-108(13)159(261)216-133(86-114-89-200-119-50-40-39-49-117(114)119)170(272)218-129(82-102(4)5)171(273)228-152(103(6)7)178(280)215-121(53-44-72-199-186(192)193)162(264)201-91-141(242)209-120(52-43-71-198-185(190)191)161(263)204-94-151(257)258)230-172(274)131(83-111-45-33-31-34-46-111)219-167(269)126(64-69-149(253)254)214-166(268)122(51-41-42-70-195-144(245)98-290-79-78-289-76-74-197-145(246)99-291-80-77-288-75-73-196-139(240)66-61-127(183(285)286)211-140(241)54-37-29-27-25-23-21-19-20-22-24-26-28-30-38-55-146(247)248)212-158(260)107(12)206-157(259)106(11)207-165(267)125(60-65-138(189)239)210-142(243)92-202-163(265)123(62-67-147(249)250)213-168(270)128(81-101(2)3)217-169(271)130(85-113-56-58-116(238)59-57-113)220-175(277)135(95-233)223-177(279)137(97-235)224-179(281)153(104(8)9)229-174(276)134(88-150(255)256)221-176(278)136(96-234)225-182(284)156(110(15)237)231-173(275)132(84-112-47-35-32-36-48-112)222-181(283)155(109(14)236)227-143(244)93-203-164(266)124(63-68-148(251)252)226-184(287)187(16,17)232-160(262)118(188)87-115-90-194-100-205-115/h31-36,39-40,45-50,56-59,89-90,100-110,118,120-137,152-156,200,233-238H,18-30,37-38,41-44,51-55,60-88,91-99,188H2,1-17H3,(H2,189,239)(H,194,205)(H,195,245)(H,196,240)(H,197,246)(H,201,264)(H,202,265)(H,203,266)(H,204,263)(H,206,259)(H,207,267)(H,208,282)(H,209,242)(H,210,243)(H,211,241)(H,212,260)(H,213,270)(H,214,268)(H,215,280)(H,216,261)(H,217,271)(H,218,272)(H,219,269)(H,220,277)(H,221,278)(H,222,283)(H,223,279)(H,224,281)(H,225,284)(H,226,287)(H,227,244)(H,228,273)(H,229,276)(H,230,274)(H,231,275)(H,232,262)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,285,286)(H4,190,191,198)(H4,192,193,199)/t105-,106-,107-,108-,109+,110+,118-,120-,121-,122-,123-,124-,125-,126-,127+,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,152-,153-,154-,155-,156-/m0/s1",DLSWIYLPEUIQAV-CCUURXOWSA-N
BMGC_DG12506,BMG_DG167668,CC(C)(C1=CC(=NO1)NC(=O)NC2=CC(=CC=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(F)(F)F,O(c1c2c(cc(c(c2)OC)OC)ncn1)c3cc(NC(Nc4cc(on4)C(C(F)(F)F)(C)C)=O)ccc3,"InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)",DKNUPRMJNUQNHR-UHFFFAOYSA-N
BMGC_DG12507,BMG_DG167673,,CCOc1c(nn(c1)-c2c(cc(cc2)F)C)C(=O)Nc3cc(c(cc3)Oc4c5c(ncc4)cc(OC)c(OC)c5)F,,ISPBCAXOSOLFME-UHFFFAOYSA-N
BMGC_DG12508,BMG_DG167675,CN1C=C(C=N1)C2=C(C=C3C(=C2)C4=C(C=N3)N(C(=O)N4C5=C(C=C(C=C5)C#N)F)C)OC,,"InChI=1S/C23H17FN6O2/c1-28-12-14(10-27-28)15-7-16-18(8-21(15)32-3)26-11-20-22(16)30(23(31)29(20)2)19-5-4-13(9-25)6-17(19)24/h4-8,10-12H,1-3H3",OOCGUVCGJIUQKC-UHFFFAOYSA-N
BMGC_DG12509,BMG_DG167677,,C(=O)(N1CCCCC1)c2cc3c(n(c(n3)C)Cc4cc(ccc4)C)cc2,,FWLBCCWBWAZRLY-UHFFFAOYSA-N
BMGC_DG12510,BMG_DG167679,C[C@@H](C(=O)N[C@@H](C)C(=O)OCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC3=CSC(=N3)C4=CC=C(C=C4)Cl)N5CCCC5)C#N)N,C(c1c(N2CCCC2)nc(SCc3csc(-c4ccc(Cl)cc4)n3)c(C#N)c1-c5ccc(OCCOC(=O)[C@H](C)NC(=O)[C@@H](N)C)cc5)#N,"InChI=1S/C35H34ClN7O4S2/c1-21(39)32(44)40-22(2)35(45)47-16-15-46-27-11-7-23(8-12-27)30-28(17-37)31(43-13-3-4-14-43)42-34(29(30)18-38)49-20-26-19-48-33(41-26)24-5-9-25(36)10-6-24/h5-12,19,21-22H,3-4,13-16,20,39H2,1-2H3,(H,40,44)/t21-,22-/m0/s1",WESNEIGKOAXSGX-VXKWHMMOSA-N
BMGC_DG12511,BMG_DG167683,COC1=C(C(=CC=C1)OC)OCCNCC2COC3=CC=CC=C3O2,c1ccc2OCC(Oc2c1)CNCCOc3c(cccc3OC)OC,"InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3",GYSZUJHYXCZAKI-UHFFFAOYSA-N
BMGC_DG12512,BMG_DG167686,,N1(CCC[C@H]1c2cccnc2)Cc3ccc(cc3)Oc4ccc(cc4Cl)C(N)=O,,LOOCZNLSXJHWTG-NRFANRHFSA-N
BMGC_DG12513,BMG_DG167691,,,,
BMGC_DG12514,BMG_DG167696,,c12c(c([N+](=O)[O-])oc1ccc3c2cccc3)CCO,,DMTZMRKTFPMXSU-UHFFFAOYSA-N
BMGC_DG12515,BMG_DG167711,C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=C(C=C3)C#N,,"InChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21)",XBJCNHGQFJFCOY-UHFFFAOYSA-N
BMGC_DG12516,BMG_DG167713,C([C@H]([C@@H]1[C@H]2[C@@H](O[Sb](O2)(O1)O[Sb]34O[C@@H]([C@H](O3)[C@@H](CO)O)[C@@H](O4)C(=O)[O-])C(=O)[O-])O)O.O.O.O.O.O.O.O.O.O.O.[OH-].[Na+].[Na+].[Na+],,"InChI=1S/2C6H9O7.3Na.11H2O.O.2Sb/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;;;;;;;;;;;/h2*2-5,7-8H,1H2,(H,12,13);;;;11*1H2;;;/q2*-3;3*+1;;;;;;;;;;;;;2*+3/p-3/t2*2-,3-,4+,5-;;;;;;;;;;;;;;;;;/m11................./s1",RFLBDDMITDCCHA-UZVLBLASSA-K
BMGC_DG12517,BMG_DG167763,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CN(C=N2)CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O.CC(=O)O,C(c1c2c([nH]c1)cccc2)[C@@H](C(N[C@H](C(N[C@@H](Cc3ccc(cc3)O)C(N[C@H](Cc4cn(cn4)Cc5ccccc5)C(N[C@H](C(N[C@H](C(=O)N6[C@H](C(NCC)=O)CCC6)CCCNC(=N)N)=O)CC(C)C)=O)=O)=O)CO)=O)NC(=O)[C@@H](NC(=O)[C@@H]7CCC(N7)=O)Cc8c[nH]cn8.CC(=O)O.CC(=O)O,"InChI=1S/C66H86N18O12.2C2H4O2/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47;2*1-2(3)4/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71);2*1H3,(H,3,4)/t47-,48-,49-,50-,51-,52-,53+,54-,55-;;/m0../s1",BKEMVGVBBDMHKL-VYFXDUNUSA-N
BMGC_DG12518,BMG_DG167829,,,,
BMGC_DG12519,BMG_DG167834,CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)OC4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N,[C@H](CO)([C@@]1([C@H](O)[C@H](O)[C@@H](O)C2(O[C@]3([C@H]([C@H](O[C@H]([C@@]3([H])O2)O[C@]4([C@H](O)[C@H](C[C@@H](N)[C@@H]4O)NC)[H])CO)O)[H])O1)[H])N,"InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20?/m1/s1",GRRNUXAQVGOGFE-HUCHGKBZSA-N
BMGC_DG12520,BMG_DG167847,C1=CC2=CC(=C(N=C2C(=C1)Cl)C3=C[N+](=CC=C3)[O-])[C@H](C(F)(F)F)NC4=NC=NC5=C4N=CC=C5,[C@@H](c1cc2cccc(Cl)c2nc1-c3ccc[n+]([O-])c3)(C(F)(F)F)Nc4ncnc5cccnc54,"InChI=1S/C23H14ClF3N6O/c24-16-6-1-4-13-10-15(18(31-19(13)16)14-5-3-9-33(34)11-14)21(23(25,26)27)32-22-20-17(29-12-30-22)7-2-8-28-20/h1-12,21H,(H,29,30,32)/t21-/m1/s1",LNLJHGXOFYUARS-OAQYLSRUSA-N
BMGC_DG12521,BMG_DG167849,CC1=C(C=C(C=C1)Cl)N2C(=O)C3=CC=CC=C3C2(C4=CC5=C(C=C4)N=C(N5)NC(=O)OC)O,C1(N(C(c2ccc3c(nc([nH]3)NC(OC)=O)c2)(c4c1cccc4)O)c5cc(ccc5C)Cl)=O,"InChI=1S/C24H19ClN4O4/c1-13-7-9-15(25)12-20(13)29-21(30)16-5-3-4-6-17(16)24(29,32)14-8-10-18-19(11-14)27-22(26-18)28-23(31)33-2/h3-12,32H,1-2H3,(H2,26,27,28,31)",MMNNTJYFHUDSKL-UHFFFAOYSA-N
BMGC_DG12522,BMG_DG167855,CN1CCC2(CC1)CC(C2)COC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl)NC(=O)C=C,c1(cc2c(cc1OCC3CC4(C3)CCN(CC4)C)ncnc2Nc5ccc(c(c5)Cl)F)NC(C=C)=O,"InChI=1S/C27H29ClFN5O2/c1-3-25(35)33-23-11-19-22(30-16-31-26(19)32-18-4-5-21(29)20(28)10-18)12-24(23)36-15-17-13-27(14-17)6-8-34(2)9-7-27/h3-5,10-12,16-17H,1,6-9,13-15H2,2H3,(H,33,35)(H,30,31,32)",KJBZQIKLKWQVLL-UHFFFAOYSA-N
BMGC_DG12523,BMG_DG167859,CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]34C[C@H]3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8,c1(cc2c(cc1)c(c-3n2C[C@@]4([C@H](c5c3ccc(c5)OC)C4)C(N6[C@@H]7CN(C[C@H]6CC7)C)=O)C8CCCCC8)C(NS(N(C)C)(=O)=O)=O,"InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24-,25+,30-,36-/m0/s1",ZTTKEBYSXUCBSE-QDFUAKMASA-N
BMGC_DG12524,BMG_DG167861,CCN(CC)CCNC(=O)C1=C(NC\2=C1CCC/C2=C/3\C4=C(C=CC(=C4)F)NC3=O)C,CCN(CCNC(c1c(C)[nH]c2/C(=C/3\C(=O)Nc4ccc(F)cc43)/CCCc21)=O)CC,"InChI=1S/C24H29FN4O2/c1-4-29(5-2)12-11-26-23(30)20-14(3)27-22-16(20)7-6-8-17(22)21-18-13-15(25)9-10-19(18)28-24(21)31/h9-10,13,27H,4-8,11-12H2,1-3H3,(H,26,30)(H,28,31)/b21-17-",KGSRYTUWXUESJK-FXBPSFAMSA-N
BMGC_DG12525,BMG_DG168043,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C,c1(Nc2c(c(ccc2)C)C)nc(nc(c1)Cl)SCC(O)=O,"InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)",SZRPDCCEHVWOJX-UHFFFAOYSA-N
BMGC_DG12526,BMG_DG168108,,c1(nc(c(cn1)-c2ccc(cc2)C(F)(F)F)N[C@H]3[C@@H]4CC[C@H](C3)C4)C,,ADHZHPOKTRHZGT-DXCKQFNASA-N
BMGC_DG12527,BMG_DG168110,CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl,C(/C=C/c1ccc(cc1)/C(=C(/CC)\c2c(cc(cc2)F)Cl)/c3cc4cn[nH]c4cc3)(=O)O,"InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+",BURHGPHDEVGCEZ-KJGLQBJMSA-N
BMGC_DG12528,BMG_DG168120,CC1=NC(=NC=C1OC[C@]2(C[C@H]2C(=O)NC3=NC=C(C=C3)F)C4=CC(=CC=C4)F)C,[C@@H]1([C@@](C1)(c2cc(ccc2)F)COc3c(nc(nc3)C)C)C(=O)Nc4ccc(cn4)F,"InChI=1S/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-4-3-5-16(23)8-15)9-18(22)21(29)28-20-7-6-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/m0/s1",MUGXRYIUWFITCP-PGRDOPGGSA-N
BMGC_DG12529,BMG_DG168123,C[C@@H](C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(N(N=C2C(F)F)C)OC3=CC=CC(=C3)C(F)(F)F,n1(c(c(c(n1)C(F)F)C(N[C@H](c2ccc(cc2)C(=O)O)C)=O)Oc3cc(ccc3)C(F)(F)F)C,"InChI=1S/C22H18F5N3O4/c1-11(12-6-8-13(9-7-12)21(32)33)28-19(31)16-17(18(23)24)29-30(2)20(16)34-15-5-3-4-14(10-15)22(25,26)27/h3-11,18H,1-2H3,(H,28,31)(H,32,33)/t11-/m0/s1",MKLKAQMPKHNQPR-NSHDSACASA-N
BMGC_DG12530,BMG_DG168126,,c1cc(c2c(c1)OC[C@H](C2)NC(c3cnc(cc3)COCC(F)(F)F)=O)-c4ncc(nc4)OC,,LRHQXIQLHVPUNA-INIZCTEOSA-N
BMGC_DG12531,BMG_DG168130,C1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)NC(=N3)N)COC(=O)N)N,[C@@]123[C@]([C@@H](NC(N1CCC2(O)O)=N)COC(N)=O)(NC(N3)=N)[H],"InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1",RPQXVSUAYFXFJA-HGRQIUPRSA-N
BMGC_DG12532,BMG_DG168136,CN1C2=C(C=CC(=C2)C(=O)NC3(CCC3)C(=O)NC4=CC=C(C=C4)/C=C/C(=O)O)C(=C1C5=CC=CC=N5)C6CCCC6,Cn1c(c(c2c1cc(cc2)C(=O)NC3(CCC3)C(=O)Nc4ccc(/C=C/C(O)=O)cc4)C5CCCC5)-c6ccccn6,"InChI=1S/C34H34N4O4/c1-38-28-21-24(13-16-26(28)30(23-7-2-3-8-23)31(38)27-9-4-5-20-35-27)32(41)37-34(18-6-19-34)33(42)36-25-14-10-22(11-15-25)12-17-29(39)40/h4-5,9-17,20-21,23H,2-3,6-8,18-19H2,1H3,(H,36,42)(H,37,41)(H,39,40)/b17-12+",JBSNALXXNTWUEC-SFQUDFHCSA-N
BMGC_DG12533,BMG_DG168140,CC1=C(C=CC=C1C(F)(F)F)CN2C(=NC3=C(C=C(C=C32)N4CCOCC4)C(=O)O)C,c1c(c(c(cc1)C(F)(F)F)C)Cn2c(nc3c2cc(cc3C(O)=O)N4CCOCC4)C,"InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30)",XTKLTGBKIDQGQL-UHFFFAOYSA-N
BMGC_DG12534,BMG_DG168142,CC1(CC1)CCCC2=CC(=O)OC3=C2C(=O)NC(=O)N3,c1([nH]c2c(c([nH]1)=O)c(cc(o2)=O)CCCC3(CC3)C)=O,"InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)",ARJKMWXLIHZLQZ-UHFFFAOYSA-N
BMGC_DG12535,BMG_DG168151,C1COCCN1CCNC(=O)C2=C(C3=C(N2)C=C(C=C3)Cl)C4=C(N=CN4CC5=CC=C(C=C5)Cl)C6=CC=CC=C6,,"InChI=1S/C31H29Cl2N5O2/c32-23-8-6-21(7-9-23)19-38-20-35-28(22-4-2-1-3-5-22)30(38)27-25-11-10-24(33)18-26(25)36-29(27)31(39)34-12-13-37-14-16-40-17-15-37/h1-11,18,20,36H,12-17,19H2,(H,34,39)",IFORBTVIRBZFON-UHFFFAOYSA-N
BMGC_DG12536,BMG_DG168161,C(=[N-])=[N-].[Ca+2],,InChI=1S/CN2.Ca/c2-1-3;/q-2;+2,MYFXBBAEXORJNB-UHFFFAOYSA-N
BMGC_DG12537,BMG_DG168167,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,c1(NC(CN2CCN(CC2)CC(COc3c(OC)cccc3)O)=O)c(cccc1C)C,"InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)",XKLMZUWKNUAPSZ-UHFFFAOYSA-N
BMGC_DG12538,BMG_DG168169,COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC=C)O,C(COCCOCCOCCOCCO[C@@H]1[C@@]2(Oc3c4c(ccc3O)C[C@H]5N(CC=C)CC[C@@]24[C@@]5(O)CC1)[H])OCCOCCOC,"InChI=1S/C34H53NO11/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2/h3-5,28-29,32,36-37H,1,6-25H2,2H3/t28-,29+,32-,33-,34+/m0/s1",XNKCCCKFOQNXKV-ZRSCBOBOSA-N
BMGC_DG12539,BMG_DG168173,C[C@@H]1CN(C[C@@H](N1)C)C(=O)C2=CC=C(C=C2)NC(=O)C3=NN=C(C(=C3)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl)N,C(=O)(N1C[C@@H](C)N[C@H](C1)C)c2ccc(cc2)NC(=O)c3cc(O[C@H](C)c4c(Cl)c(F)ccc4Cl)c(nn3)N,"InChI=1S/C26H27Cl2FN6O3/c1-13-11-35(12-14(2)31-13)26(37)16-4-6-17(7-5-16)32-25(36)20-10-21(24(30)34-33-20)38-15(3)22-18(27)8-9-19(29)23(22)28/h4-10,13-15,31H,11-12H2,1-3H3,(H2,30,34)(H,32,36)/t13-,14+,15-/m1/s1",GLYMPHUVMRFTFV-QLFBSQMISA-N
BMGC_DG12540,BMG_DG168174,C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=CC(=NN=C2N)C(=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C,c1(cc(c(nn1)N)O[C@H](C)c2c(c(ccc2Cl)F)Cl)C(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)C,"InChI=1S/C25H25Cl2FN6O3/c1-14(21-17(26)7-8-18(28)22(21)27)37-20-13-19(31-32-23(20)29)24(35)30-16-5-3-15(4-6-16)25(36)34-11-9-33(2)10-12-34/h3-8,13-14H,9-12H2,1-2H3,(H2,29,32)(H,30,35)/t14-/m1/s1",ONPGOSVDVDPBCY-CQSZACIVSA-N
BMGC_DG12541,BMG_DG168177,C[C@H]1CN(CCN1)CC2=C(C=C(C=C2)N(C)C(=O)C3CCC(CC3)OC4=CC=CC(=C4)CO)C,[C@@H]1(CC[C@@H](CC1)Oc2cc(ccc2)CO)C(=O)N(c3cc(c(cc3)CN4C[C@@H](NCC4)C)C)C,"InChI=1S/C28H39N3O3/c1-20-15-25(10-7-24(20)18-31-14-13-29-21(2)17-31)30(3)28(33)23-8-11-26(12-9-23)34-27-6-4-5-22(16-27)19-32/h4-7,10,15-16,21,23,26,29,32H,8-9,11-14,17-19H2,1-3H3/t21-,23?,26?/m0/s1",XCVUPJBVKKACQB-ZMWWRJPQSA-N;XCVUPJBVKKACQB-KJOQGJGQSA-N
BMGC_DG12542,BMG_DG168181,CC(C)N1CCC(CC1)N2CCCN(CC2)C3=CC=CC(=N3)C(=O)NC4=CC=NC=C4,C(c1cccc(N2CCCN(C3CCN(C(C)C)CC3)CC2)n1)(=O)Nc4ccncc4,"InChI=1S/C24H34N6O/c1-19(2)28-15-9-21(10-16-28)29-13-4-14-30(18-17-29)23-6-3-5-22(27-23)24(31)26-20-7-11-25-12-8-20/h3,5-8,11-12,19,21H,4,9-10,13-18H2,1-2H3,(H,25,26,31)",XNUNVQKARNSSEO-UHFFFAOYSA-N
BMGC_DG12543,BMG_DG168185,CC1=CNC2=C1C(=NC=N2)N3CCC(CC3)(CN)C(=O)NC4=CC(=CC=C4)OC(=O)N(C)C,C(C1(CN)CCN(CC1)c2ncnc3[nH]cc(c23)C)(Nc4cccc(c4)OC(N(C)C)=O)=O,"InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)",PWPNYABQEOGNNC-UHFFFAOYSA-N
BMGC_DG12544,BMG_DG168189,CC1=C(C=C(C=C1N2CCN(CC2)C3=NC=NC4=NNC(=C43)Br)C(=O)CCC(F)(F)F)NCCN5CCCC5,c1c(c(c(NCCN2CCCC2)cc1C(=O)CCC(F)(F)F)C)N3CCN(CC3)c4ncnc5c4c(n[nH]5)Br,"InChI=1S/C26H32BrF3N8O/c1-17-19(31-6-9-36-7-2-3-8-36)14-18(21(39)4-5-26(28,29)30)15-20(17)37-10-12-38(13-11-37)25-22-23(27)34-35-24(22)32-16-33-25/h14-16,31H,2-13H2,1H3,(H,32,33,34,35)",IKBSEBRGSVFUHM-UHFFFAOYSA-N
BMGC_DG12545,BMG_DG168198,CC(C)C(=O)NC1=NC=C(S1)C2=CC(=NN2C3=C(C=CC=C3Cl)Cl)C(F)F,,"InChI=1S/C17H14Cl2F2N4OS/c1-8(2)16(26)23-17-22-7-13(27-17)12-6-11(15(20)21)24-25(12)14-9(18)4-3-5-10(14)19/h3-8,15H,1-2H3,(H,22,23,26)",IVUGBSGLHRJSSP-UHFFFAOYSA-N
BMGC_DG12546,BMG_DG168202,C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4,S1(N(C(=O)c2c1cccc2)CCCCN3CCN(c4ncccn4)CC3)(=O)=O,"InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2",TZJUVVIWVWFLCD-UHFFFAOYSA-N
BMGC_DG12547,BMG_DG168230,C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O,c12c(c(cc(n1)C(O)=O)O)cccc2O,"InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)",FBZONXHGGPHHIY-UHFFFAOYSA-N
BMGC_DG12548,BMG_DG168258,C1=CC(=C(C(=C1)Cl)/C=N/N=C(N)N)Cl,c1(c(Cl)cccc1Cl)\C=N\NC(=N)N,"InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+",WDZVGELJXXEGPV-YIXHJXPBSA-N
BMGC_DG12549,BMG_DG168283,C1=C(N=C(S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N,c1(CSCCC(=N)NS(=O)(N)=O)csc(NC(N)=N)n1,"InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)",XUFQPHANEAPEMJ-UHFFFAOYSA-N
BMGC_DG12550,BMG_DG168290,N.N.Cl[Pt]Cl,,InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2,LXZZYRPGZAFOLE-UHFFFAOYSA-L
BMGC_DG12551,BMG_DG168316,C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)CC6=CC(=C(C=C6)O)OC)O)C)O[C@](O3)(O2)CC7=CC=CC=C7)C(=C)C,[C@@]123[C@]4([C@@](C(=O)C(=C4)C)(CC(=C[C@]1([C@]5([H])[C@@](C[C@H]2C)(C(=C)C)O[C@](O3)(O5)Cc6ccccc6)[H])COC(=O)Cc7cc(OC)c(cc7)O)O)[H],"InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1",DSDNAKHZNJAGHN-MXTYGGKSSA-N
BMGC_DG12552,BMG_DG168350,,O=C\1c2c(CC/C1=C\c3ccccn3)cccc2,,ZXFHIHFMBOWHPB-ACCUITESSA-N
BMGC_DG12553,BMG_DG168351,CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)O,n1c(c(C)c(c2c1ccc(F)c2)C(O)=O)-c3ccc(-c4c(F)cccc4)cc3,"InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)",PHEZJEYUWHETKO-UHFFFAOYSA-N
BMGC_DG12554,BMG_DG168361,CC1=CC(=O)C=C2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4=O)C)C,[C@]12(C(=CC(=O)C=C1C)CC[C@]3([C@@]4(CCC([C@]4(CC[C@]23[H])C)=O)[H])[H])C,"InChI=1S/C20H26O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10-11,15-17H,4-9H2,1-3H3/t15-,16-,17-,19-,20-/m0/s1",PEPMWUSGRKINHX-TXTPUJOMSA-N
BMGC_DG12555,BMG_DG168368,,CC(=O)c1cc2ccc(=O)oc2cc1O,,MYJIZBGGFRMXEM-UHFFFAOYSA-N
BMGC_DG12556,BMG_DG168385,CC1=C(C(=CC=C1)C)NC2=NCCCS2,C1(Nc2c(cccc2C)C)=NCCCS1,"InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)",BPICBUSOMSTKRF-UHFFFAOYSA-N
BMGC_DG12557,BMG_DG168390,C1=CC(=CC=C1C[Se]C#N)C[Se]C#N,c1cc(ccc1C[Se]C#N)C[Se]C#N,"InChI=1S/C10H8N2Se2/c11-7-13-5-9-1-2-10(4-3-9)6-14-8-12/h1-4H,5-6H2",QFTBWTJGZHUOAW-UHFFFAOYSA-N
BMGC_DG12558,BMG_DG168402,,C(/C=C/c1cc(c(cc1)O)OC)(=O)c2ccc(cc2)Cl,,KCTNGNPVURILGU-KRXBUXKQSA-N
BMGC_DG12559,BMG_DG168403,CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C,c1(c(cc(cc1C)C(C)(C)C)C)CC2=NCCN2,"InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)",HUCJFAOMUPXHDK-UHFFFAOYSA-N
BMGC_DG12560,BMG_DG168408,,c1(C(/C=C/c2cc(O)c(cc2)O)=O)c(O)cccc1,,PSYVAIWGYVDYHN-FNORWQNLSA-N
BMGC_DG12561,BMG_DG168415,,c1(c(CCC)c(ccc1C(C)=O)OCCCCCOc2c(cc3c(c2)OC(CC3)C(O)=O)C(C)=O)O,,FGGYJWZYDAROFF-UHFFFAOYSA-N
BMGC_DG12562,BMG_DG168417,CC(C)(C)C1=CC=C(C=C1)CCC(COC2=CC=C(C=C2)C(=O)O)O,C(c1ccc(OCC(CCc2ccc(C(C)(C)C)cc2)O)cc1)(=O)O,"InChI=1S/C21H26O4/c1-21(2,3)17-9-4-15(5-10-17)6-11-18(22)14-25-19-12-7-16(8-13-19)20(23)24/h4-5,7-10,12-13,18,22H,6,11,14H2,1-3H3,(H,23,24)",LNXBEIZREVRNTF-UHFFFAOYSA-N
BMGC_DG12563,BMG_DG168423,C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)C4=CC=C(O4)CO,c1(ccc(-c2nn(Cc3ccccc3)c4ccccc42)o1)CO,"InChI=1S/C19H16N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,22H,12-13H2",OQQVFCKUDYMWGV-UHFFFAOYSA-N
BMGC_DG12564,BMG_DG168425,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCN,,"InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3/b7-6-,10-9-,13-12-,16-15-",DLHLOYYQQGSXCC-DOFZRALJSA-N
BMGC_DG12565,BMG_DG168430,,O=C\1c2c(C/C1=C\c3c(O)cccc3)cccc2,,MTRGPBISOZJVME-JLHYYAGUSA-N
BMGC_DG12566,BMG_DG168439,CCC1=C(C(=NC(=N1)N)N)C#CCC2=C(C=CC(=C2)C3=CC=NC=C3)OC,,"InChI=1S/C21H21N5O/c1-3-18-17(20(22)26-21(23)25-18)6-4-5-16-13-15(7-8-19(16)27-2)14-9-11-24-12-10-14/h7-13H,3,5H2,1-2H3,(H4,22,23,25,26)",CZCHMGRCEXJPTP-UHFFFAOYSA-N
BMGC_DG12567,BMG_DG168440,CCC1=C(C(=NC(=N1)N)N)C#CCC2=CC(=CC(=C2)OC)C3=CC=NC=C3,,"InChI=1S/C21H21N5O/c1-3-19-18(20(22)26-21(23)25-19)6-4-5-14-11-16(13-17(12-14)27-2)15-7-9-24-10-8-15/h7-13H,3,5H2,1-2H3,(H4,22,23,25,26)",COHGVYNMDPBQFR-UHFFFAOYSA-N
BMGC_DG12568,BMG_DG168449,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)C6=CC=CC=C6)C)O)N)O,c12c(C(c3c(OC)cccc3C1=O)=O)c(c4[C@](C[C@@](Cc4c2O)(C(=NNC(=O)c5ccccc5)C)O)(O[C@@H]6O[C@@H](C)[C@H]([C@H](C6)N)O)[H])O,"InChI=1S/C34H35N3O10/c1-15-28(38)20(35)12-23(46-15)47-22-14-34(44,16(2)36-37-33(43)17-8-5-4-6-9-17)13-19-25(22)32(42)27-26(30(19)40)29(39)18-10-7-11-21(45-3)24(18)31(27)41/h4-11,15,20,22-23,28,38,40,42,44H,12-14,35H2,1-3H3,(H,37,43)/t15-,20-,22-,23-,28+,34-/m0/s1",FBTUMDXHSRTGRV-BJISBDEGSA-N
BMGC_DG12569,BMG_DG168450,,c1c2c(c(c(cc3C(=C(c(cc4c(c(c(cc5C(=C(c1n5)C(C)OC(C)c6c7cc8C(=C(c(cc9c(c(c(cc%10C(=C(c(cc(c6C)[nH]7)n%10)C)CCC(=O)O)[nH]9)CCC(=O)O)C)n8)C(C)O)C)C)[nH]4)C(C)O)C)n3)C)CCC(=O)O)[nH]2)CCC(=O)O)C,,VAYJWFGRGMQINH-STKOUIOXSA-N
BMGC_DG12570,BMG_DG168454,CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC,S(NC(c1cc(OC)c(Cc2c3c(ccc(NC(OC4CCCC4)=O)c3)n(c2)C)cc1)=O)(c5c(C)cccc5)(=O)=O,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)",YEEZWCHGZNKEEK-UHFFFAOYSA-N
BMGC_DG12571,BMG_DG168459,CN1[C@H]2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43,,"InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12?,13?/m0/s1",ZNRGQMMCGHDTEI-HIFPTAJRSA-N
BMGC_DG12572,BMG_DG168470,CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C,n12c(c(C#N)cn1)nccc2-c3cc(N(C(=O)C)CC)ccc3,"InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3",HUNXMJYCHXQEGX-UHFFFAOYSA-N
BMGC_DG12573,BMG_DG168474,C(CN(C=O)O)CP(=O)(O)O,C(N(O)CCCP(O)(O)=O)=O,"InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)",GJXWDTUCERCKIX-UHFFFAOYSA-N
BMGC_DG12574,BMG_DG168475,CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)O,c1cccc2c1Sc3c(cc(cc3)C(C)C(O)=O)CC2=O,"InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20)",MUXFZBHBYYYLTH-UHFFFAOYSA-N
BMGC_DG12575,BMG_DG168482,,C(=C/c1ccc(N(C)C)cc1)\c2nc3c(cc2)cccc3,,YMIKUHVSRFHPOP-YRNVUSSQSA-N
BMGC_DG12576,BMG_DG168486,COC1=C(C=CC(=C1)C2=NNC(=O)C=C2)OC(F)F,c1c(cc(OC)c(c1)OC(F)F)-c2ccc([nH]n2)=O,"InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)",HJMQDJPMQIHLPB-UHFFFAOYSA-N
BMGC_DG12577,BMG_DG168489,C1=CC2=C(C=C1Cl)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O,n1(c(n(CC(=O)O)c2c(c1=O)ccc(Cl)c2)=O)Cc3c(cc(cc3)Br)F,"InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24)",SXONDGSPUVNZLO-UHFFFAOYSA-N
BMGC_DG12578,BMG_DG168491,CCCN1CCC[C@H]2[C@H]1CC3=CN=C(N=C3C2)N,n1c2c(C[C@@]3([C@@](C2)(CCCN3CCC)[H])[H])cnc1N,"InChI=1S/C14H22N4/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12/h9-10,13H,2-8H2,1H3,(H2,15,16,17)/t10-,13-/m1/s1",TUFADSGTJUOBEH-ZWNOBZJWSA-N
BMGC_DG12579,BMG_DG168502,CCC1=CC(=C(C(=C1O)C(=O)NC[C@@H]2CCCN2CC)OC)Cl,C1C[C@@H](CNC(=O)c2c(c(cc(c2O)CC)Cl)OC)N(CC)C1,"InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1",AADCDMQTJNYOSS-LBPRGKRZSA-N
BMGC_DG12580,BMG_DG168503,,,,
BMGC_DG12581,BMG_DG168505,Cl[Zn]Cl,[Zn+2].[Cl-].[Cl-],InChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2,JIAARYAFYJHUJI-UHFFFAOYSA-L
BMGC_DG12582,BMG_DG168516,,,,
BMGC_DG12583,BMG_DG168527,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C,c1(n2c(ccc(c2)C)nc1-c3ccc(C)cc3)CC(N(C)C)=O,"InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3",ZAFYATHCZYHLPB-UHFFFAOYSA-N
BMGC_DG12584,BMG_DG168535,CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=C(CCN8)C2=C(N9)C=CC(=C2)OC)OCO7)C)OC(=O)C)C(=C1OC)O,[C@@]12(c3c(CCN1)c4c([nH]3)ccc(c4)OC)CS[C@@H]5c6c([C@@H](N7[C@@]5([C@@H]8N([C@H]([C@@H]7O)Cc9c8c(c(c(c9)C)OC)O)C)[H])COC2=O)c%10c(c(c6OC(C)=O)C)OCO%10,"InChI=1S/C41H44N4O10S/c1-17-11-20-12-25-39(48)45-26-14-52-40(49)41(38-22(9-10-42-41)23-13-21(50-5)7-8-24(23)43-38)15-56-37(31(45)30(44(25)4)27(20)32(47)33(17)51-6)29-28(26)36-35(53-16-54-36)18(2)34(29)55-19(3)46/h7-8,11,13,25-26,30-31,37,39,42-43,47-48H,9-10,12,14-16H2,1-6H3/t25-,26-,30+,31+,37+,39-,41+/m0/s1",YDDMIZRDDREKEP-HWTBNCOESA-N
BMGC_DG12585,BMG_DG168537,CC1=C(N(C(=C1)CC(=O)O)C)C(=O)C2=CC=C(C=C2)Cl,c1(n(c(CC(O)=O)cc1C)C)C(c2ccc(cc2)Cl)=O,"InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)",ZXVNMYWKKDOREA-UHFFFAOYSA-N
BMGC_DG12586,BMG_DG168546,C1CCC(CC1)CN2CCN(CC2)C3=NC(=O)C4=C(S3)C(=CC(=C4)C(F)(F)F)[N+](=O)[O-],[N+](=O)([O-])c1c2c(cc(c1)C(F)(F)F)c(=O)nc(s2)N3CCN(CC3)CC4CCCCC4,"InChI=1S/C20H23F3N4O3S/c21-20(22,23)14-10-15-17(16(11-14)27(29)30)31-19(24-18(15)28)26-8-6-25(7-9-26)12-13-4-2-1-3-5-13/h10-11,13H,1-9,12H2",BJDZBXGJNBMCAV-UHFFFAOYSA-N
BMGC_DG12587,BMG_DG168547,CCC1=C(C=C(C(=O)N1CC2=CC=C(C=C2)F)C(=O)NC3(CCCCC3)C(=O)O)C,c1cc(F)ccc1Cn2c(c(cc(c2=O)C(NC3(CCCCC3)C(O)=O)=O)C)CC,"InChI=1S/C23H27FN2O4/c1-3-19-15(2)13-18(20(27)25-23(22(29)30)11-5-4-6-12-23)21(28)26(19)14-16-7-9-17(24)10-8-16/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,25,27)(H,29,30)",JIYXOJFSPOFZPY-UHFFFAOYSA-N
BMGC_DG12588,BMG_DG168555,CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC,C(C=C)(=O)Nc1cc(ccc1)Nc2nc(ncc2C(F)(F)F)Nc3c(cc(cc3)N4CCN(CC4)C(=O)C)OC,"InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)",HUFOZJXAKZVRNJ-UHFFFAOYSA-N
BMGC_DG12589,BMG_DG168557,CC1=C(C(=NO1)C2=CC=C(C=C2)F)COC3=NC=C(C=C3)C(=O)N4CCS(=O)(=O)CC4,c1(ccc(cn1)C(=O)N2CCS(CC2)(=O)=O)OCc3c(C)onc3-c4ccc(cc4)F,"InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3",VCGRFBXVSFAGGA-UHFFFAOYSA-N
BMGC_DG12590,BMG_DG168561,C[C@@H](C(=O)N1CCC(CC1)CCN2C3=NC=NC(=C3N=C2SC4=C(C=C5C(=C4)OCO5)Br)N)O,C([C@H](C)O)(=O)N1CCC(CC1)CCn2c(nc3c(ncnc23)N)Sc4c(cc5c(OCO5)c4)Br,"InChI=1S/C22H25BrN6O4S/c1-12(30)21(31)28-5-2-13(3-6-28)4-7-29-20-18(19(24)25-10-26-20)27-22(29)34-17-9-16-15(8-14(17)23)32-11-33-16/h8-10,12-13,30H,2-7,11H2,1H3,(H2,24,25,26)/t12-/m0/s1",CVBWTNHDKVVFMI-LBPRGKRZSA-N
BMGC_DG12591,BMG_DG168562,C1=CC(=CC=C1CCOC2=NC=C(C(=O)N2)CC3=CN=CN=C3)OC4=CC(=C(C=C4)Cl)C(F)(F)F,O(c1ccc(cc1)CCOc2[nH]cc(Cc3cncnc3)c(=O)n2)c4cc(c(cc4)Cl)C(F)(F)F,"InChI=1S/C24H18ClF3N4O3/c25-21-6-5-19(10-20(21)24(26,27)28)35-18-3-1-15(2-4-18)7-8-34-23-31-13-17(22(33)32-23)9-16-11-29-14-30-12-16/h1-6,10-14H,7-9H2,(H,31,32,33)",DRACNSAQZFZUKW-UHFFFAOYSA-N
BMGC_DG12592,BMG_DG168563,,S(=O)(=O)(c1ccc(-c2c3n(nc(Nc4cc(N5CCN(CC5)C)ccc4)n3)ccc2)cc1)C,,RFZKSQIFOZZIAQ-UHFFFAOYSA-N
BMGC_DG12593,BMG_DG168565,CCCC(CCC)CCCC1COCCN1CCO,C1OCC(CCCC(CCC)CCC)N(C1)CCO,"InChI=1S/C16H33NO2/c1-3-6-15(7-4-2)8-5-9-16-14-19-13-11-17(16)10-12-18/h15-16,18H,3-14H2,1-2H3",QSFOWAYMMZCQNF-UHFFFAOYSA-N
BMGC_DG12594,BMG_DG168622,C1C[C@@H](N(C1)S(=O)(=O)CCC2=CC=CC=C2)C(=O)NO,,"InChI=1S/C13H18N2O4S/c16-13(14-17)12-7-4-9-15(12)20(18,19)10-8-11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10H2,(H,14,16)/t12-/m1/s1",FTQOZDRDOVWSBK-GFCCVEGCSA-N
BMGC_DG12595,BMG_DG168623,C1=CC=C(C=C1)NC(=O)NCCCNCC2=CC(=CC(=C2)Cl)Cl,,"InChI=1S/C17H19Cl2N3O/c18-14-9-13(10-15(19)11-14)12-20-7-4-8-21-17(23)22-16-5-2-1-3-6-16/h1-3,5-6,9-11,20H,4,7-8,12H2,(H2,21,22,23)",FFIHIYODYIKHMJ-UHFFFAOYSA-N
BMGC_DG12596,BMG_DG168628,CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CC7(CN6C(=O)[C@H](C(C)C)NC(=O)OC)OCCO7)NC(=O)OC,c1c(ccc(-c2ccc(cc2)-c3[nH]c(nc3)[C@@H]4CC5(CN4C([C@@H](NC(OC)=O)C(C)C)=O)OCCO5)c1)-c6cnc([nH]6)[C@H]7N(CCC7)C([C@@H](NC(OC)=O)C(C)C)=O,"InChI=1S/C42H52N8O8/c1-24(2)34(47-40(53)55-5)38(51)49-17-7-8-32(49)36-43-21-30(45-36)28-13-9-26(10-14-28)27-11-15-29(16-12-27)31-22-44-37(46-31)33-20-42(57-18-19-58-42)23-50(33)39(52)35(25(3)4)48-41(54)56-6/h9-16,21-22,24-25,32-35H,7-8,17-20,23H2,1-6H3,(H,43,45)(H,44,46)(H,47,53)(H,48,54)/t32-,33-,34-,35-/m0/s1",YMCAVGXTSCNFDE-BBACVFHCSA-N
BMGC_DG12597,BMG_DG168631,C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N,NS(=O)(=O)Cc1noc2c1cccc2,"InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)",UBQNRHZMVUUOMG-UHFFFAOYSA-N
BMGC_DG12598,BMG_DG168632,CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)NC(=O)/C=C/CN(C)C)NC3=NC=CC(=N3)C4=CN=CC=C4,,"InChI=1S/C29H29N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-15,17-19H,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b10-6+",GJFCSAPFHAXMSF-UXBLZVDNSA-N
BMGC_DG12599,BMG_DG168641,CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C,O1[C@H]([C@@H]([C@@H]([C@H]1CN(C(C)C)[C@H]2C[C@@H](C2)CCc3[nH]c4c(n3)cc(cc4)C(C)(C)C)O)O)n5cnc6c(ncnc56)N;O1[C@H]([C@@H]([C@@H]([C@H]1CN(C(C)C)[C@H]2C[C@H](C2)CCc3[nH]c4c(n3)cc(cc4)C(C)(C)C)O)O)n5cnc6c(ncnc56)N,"InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17?,19?,22-,25-,26-,29-/m1/s1",LXFOLMYKSYSZQS-XKHGBIBOSA-N;LXFOLMYKSYSZQS-LURJZOHASA-N;LXFOLMYKSYSZQS-YKPYGOBTSA-N
BMGC_DG12600,BMG_DG168651,CC(C)NC(=O)C1CCC(CC1)N2C3=C(C=CC(=C3)CN4CCC(CC4)C(C)(C)O)N=C2NC(=O)C5=CC=C(C=C5)F,c1c(cc2c(c1)nc(n2[C@H]3CC[C@H](CC3)C(NC(C)C)=O)NC(c4ccc(cc4)F)=O)CN5CCC(CC5)C(C)(C)O,"InChI=1S/C33H44FN5O3/c1-21(2)35-30(40)24-8-12-27(13-9-24)39-29-19-22(20-38-17-15-25(16-18-38)33(3,4)42)5-14-28(29)36-32(39)37-31(41)23-6-10-26(34)11-7-23/h5-7,10-11,14,19,21,24-25,27,42H,8-9,12-13,15-18,20H2,1-4H3,(H,35,40)(H,36,37,41)",WSTUJEXAPHIEIM-UHFFFAOYSA-N;WSTUJEXAPHIEIM-FEGDYQJNSA-N
BMGC_DG12601,BMG_DG168685,CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl,N1(C(c2nccnc2C1=O)OC(N3CCN(CC3)C)=O)c4ncc(cc4)Cl,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3",GBBSUAFBMRNDJC-UHFFFAOYSA-N
BMGC_DG12602,BMG_DG168747,CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl,c12C(=Cc3ccccc3Sc1ccc(c2)Cl)OCCN(C)C,"InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3",HDOZVRUNCMBHFH-UHFFFAOYSA-N
BMGC_DG12603,BMG_DG168750,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C,[C@]12([C@]([C@@]3(CC[C@]4(NC(=O)C=C[C@@]4([C@]3(CC1)[H])C)[H])[H])(CC[C@@H]2C(NC(C)(C)C)=O)[H])C,"InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1",DBEPLOCGEIEOCV-WSBQPABSSA-N
BMGC_DG12604,BMG_DG168808,CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl,c1(nc(c(cn1)Cl)Nc2c(cccc2)S(=O)(=O)C(C)C)Nc3c(cc(c(c3)C)C4CCNCC4)OC(C)C,"InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)",VERWOWGGCGHDQE-UHFFFAOYSA-N
BMGC_DG12605,BMG_DG168813,CC(C)(C)C(=O)NCC1=CC(=C(C=C1)Cl)C(=O)NC2=NC=CN2,c1[nH]c(nc1)NC(=O)c2c(ccc(CNC(C(C)(C)C)=O)c2)Cl,"InChI=1S/C16H19ClN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22)",MBAHGUNQNAJTLD-UHFFFAOYSA-N
BMGC_DG12606,BMG_DG168822,CC1(C2=NC3=C(N2CCO1)N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N)C,C1CN(c2nc(-c3cnc(N)nc3)nc4c2nc5C(C)(C)OCCn45)CCO1,"InChI=1S/C18H22N8O2/c1-18(2)16-22-12-14(25-3-6-27-7-4-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)5-8-28-18/h9-10H,3-8H2,1-2H3,(H2,19,20,21)",LGWACEZVCMBSKW-UHFFFAOYSA-N
BMGC_DG12607,BMG_DG168823,,OC(CCc1csc(NC(c2cc3CCCCCCc3n(CC4CCCCC4)c2=O)=O)n1)=O,,SYBONVBDFTYUQP-UHFFFAOYSA-N
BMGC_DG12608,BMG_DG168828,CC1=NOC2=C1C3=CC=CC=C3C(=N[C@H]2CC(=O)N)C4=CC=C(C=C4)Cl,Clc1ccc(cc1)C2=N[C@@H](CC(=O)N)c3onc(C)c3-c4c2cccc4,"InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1",GCWIQUVXWZWCLE-INIZCTEOSA-N
BMGC_DG12609,BMG_DG168829,CN(C)C1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC,P(C)(C)(c1c(cccc1)Nc2nc(ncc2Cl)Nc3c(cc(cc3)N4CCC(CC4)N(C)C)OC)=O,"InChI=1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31)",OVDSPTSBIQCAIN-UHFFFAOYSA-N
BMGC_DG12610,BMG_DG168831,,c1ccsc1S(=O)(=O)N(C)c2ccc3c(c2)nc(Cc4ccc(cn4)OCC)n3CC5CCCCC5,,YIEVWZCZMDYKQH-UHFFFAOYSA-N
BMGC_DG12611,BMG_DG168832,C[C@@]12CC[C@H](C([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C)O,,"InChI=1S/C26H38O6/c1-14-23(5)13-16-22(4)11-10-17(27)21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h15-17,27,31H,1,9-13H2,2-8H3/t15-,16+,17-,22-,23-,24+,25+,26+/m1/s1",NNHHTFDBMMPBSL-JFPRQHOTSA-N
BMGC_DG12612,BMG_DG168836,CCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N(C)C)O)O[C@H]3[C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]3OC)C(=O)OCC)C)O)C)CC=O)C)C,,"InChI=1S/C41H67NO15/c1-11-30(45)55-38-26(6)53-32(22-41(38,7)49)56-35-25(5)54-40(34(47)33(35)42(8)9)57-36-27(18-19-43)20-23(3)29(44)17-15-13-14-16-24(4)52-31(46)21-28(37(36)50-10)39(48)51-12-2/h13-15,17,19,23-29,32-38,40,44,47,49H,11-12,16,18,20-22H2,1-10H3/b14-13+,17-15+/t23-,24-,25-,26+,27+,28-,29+,32+,33-,34-,35-,36+,37+,38+,40+,41-/m1/s1",NGNBWGMTPDSDCJ-QDFUUMMMSA-N
BMGC_DG12613,BMG_DG168837,,N(Cc1ccc(Cl)cc1)(Cc2ccc([N+]([O-])=O)s2)CC3CCN(C(=O)OCC)C3,,MMJJNHOIVCGAAP-UHFFFAOYSA-N
BMGC_DG12614,BMG_DG168838,,N(Cc1ccc(Cl)cc1)(Cc2ccc([N+]([O-])=O)s2)CC3CCN(C(=O)NCCCCC)C3,,PPUYOYQTTWJTIU-UHFFFAOYSA-N
BMGC_DG12615,BMG_DG168839,,N1(CCCC1)C[C@@H]([C@@H](c2ccc3c(c2)OCCO3)O)NC(CCCCCCC)=O,,FJZZPCZKBUKGGU-WMZHIEFXSA-N
BMGC_DG12616,BMG_DG168841,CNC1=CC=C(C=C1)/C=C/C2=CN=C(C=C2)OCCOCCOCCF,c1c(ccc(c1)/C=C/c2ccc(nc2)OCCOCCOCCF)NC,"InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+",YNDIAUKFXKEXSV-NSCUHMNNSA-N
BMGC_DG12617,BMG_DG168844,C[C@@]12CCC(=O)C([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C,,"InChI=1S/C26H36O6/c1-14-23(5)13-16-22(4)11-10-17(27)21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h15-16,31H,1,9-13H2,2-8H3/t15-,16+,22-,23-,24+,25+,26+/m1/s1",IRPHRMHQEPXQQF-RFMSQVAGSA-N
BMGC_DG12618,BMG_DG168845,C[C@@]12CCC(=O)OC(C1=CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C,,"InChI=1S/C26H34O7/c1-14-23(5)13-16-22(4)11-10-17(27)33-21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h9,16,31H,1,10-13H2,2-8H3/t16-,22+,23+,24-,25-,26-/m0/s1",IWYHWTWGKBGNTO-GSISZECUSA-N
BMGC_DG12619,BMG_DG168847,,,,
BMGC_DG12620,BMG_DG168856,,C1C2CC3CC(CC1C3)(C2)C(=O)c4c5ccccc5n(CCCCC)c4,,SHWDYCMMUPPWQM-UHFFFAOYSA-N
BMGC_DG12621,BMG_DG168857,,c1c(ccc(c1)OC)-c2c(c(sn2)NC([C@@H]3C[C@H]3C)=O)C,,HSEURPKENJFQMI-NOZJJQNGSA-N
BMGC_DG12622,BMG_DG168858,CC#CC1=CC(=CN=C1)C2=CC3=C(CC4(C35N=C(C(=N5)N)C)CCC(CC4)OC)C=C2,,"InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)",WKDNQONLGXOZRG-UHFFFAOYSA-N
BMGC_DG12623,BMG_DG168862,CCOC1=C(C=CC(=C1)C(C)(C)C)C2=N[C@@]([C@@](N2C(=O)N3CCN(CC3)CCCS(=O)(=O)C)(C)C4=CC=C(C=C4)Cl)(C)C5=CC=C(C=C5)Cl,CC(c1ccc(C=2N(C(N3CCN(CCCS(C)(=O)=O)CC3)=O)[C@@](c4ccc(Cl)cc4)(C)[C@@](c5ccc(Cl)cc5)(C)N2)c(OCC)c1)(C)C,"InChI=1S/C38H48Cl2N4O4S/c1-8-48-33-26-29(36(2,3)4)14-19-32(33)34-41-37(5,27-10-15-30(39)16-11-27)38(6,28-12-17-31(40)18-13-28)44(34)35(45)43-23-21-42(22-24-43)20-9-25-49(7,46)47/h10-19,26H,8-9,20-25H2,1-7H3/t37-,38+/m0/s1",QBGKPEROWUKSBK-QPPIDDCLSA-N
BMGC_DG12624,BMG_DG168872,CC1=NC=C(N1CCNS(=O)(=O)N)[N+](=O)[O-],S(=O)(=O)(NCCn1c(cnc1C)[N+](=O)[O-])N,"InChI=1S/C6H11N5O4S/c1-5-8-4-6(11(12)13)10(5)3-2-9-16(7,14)15/h4,9H,2-3H2,1H3,(H2,7,14,15)",AVSMSXHPIYIKIJ-UHFFFAOYSA-N
BMGC_DG12625,BMG_DG168908,CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C,[C@H]1([C@@H](O)[C@@](O[C@@H]([C@H]1O)CO)(O[C@@H]2CC=3[C@@](CC2)(C)[C@]4(CC[C@]5([C@]([C@]4([H])CC3)(CC[C@@]5([C@@H](CC[C@H](C(C)C)CC)C)[H])[H])C)[H])[H])O,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",NPJICTMALKLTFW-OFUAXYCQSA-N
BMGC_DG12626,BMG_DG168911,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)COC(=O)C)[H])NC(\C(\c3nc(N)sc3)=N/OC)=O,"InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1",GPRBEKHLDVQUJE-QSWIMTSFSA-N
BMGC_DG12627,BMG_DG168912,C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/C2=CSC(=N2)N,N1(C(=O)[C@H]([C@@H]1C)NC(\C(\c2nc(N)sc2)=N/OC(C(=O)O)(C)C)=O)S(=O)(=O)O,"InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1",WZPBZJONDBGPKJ-VEHQQRBSSA-N
BMGC_DG12628,BMG_DG168914,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)F)(C=CC(=O)C4)C)[H])(C[C@H]([C@@]2(C(=O)CO)O)C)[H])C,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",UREBDLICKHMUKA-CXSFZGCWSA-N
BMGC_DG12629,BMG_DG168917,,c1c(C(O)=O)[nH]nc1,,KOPFEFZSAMLEHK-UHFFFAOYSA-N
BMGC_DG12630,BMG_DG168956,CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O,[C@@]12([C@@](C(COC(=O)C)=O)(CC[C@]2([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)[H])(CCC(=O)C4)C)[H])[H])O)C,"InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",ALEXXDVDDISNDU-JZYPGELDSA-N
BMGC_DG12631,BMG_DG168970,C(CCN)C[C@H](C(=O)O)N,C(CCN)C[C@H](C(=O)O)N,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1",KDXKERNSBIXSRK-RXMQYKEDSA-N
BMGC_DG12632,BMG_DG168973,CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O,[C@@]12([C@@](C(COC(=O)C)=O)(CC[C@]2([C@@]3(CCC=4[C@@]([C@]3(C(C1)=O)[H])(CCC(=O)C4)C)[H])[H])O)C,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1",ITRJWOMZKQRYTA-RFZYENFJSA-N
BMGC_DG12633,BMG_DG168977,CC1=CC(=NC2=C1C3=CC=CC=C3N2CC4=CC(=CC=C4)[C@H](C5CCCC5)C(=O)N[C@@H](CO)C6=CC=CC=C6)C,C1CC([C@@H](c2cccc(c2)Cn3c4c(c5ccccc35)c(cc(C)n4)C)C(=O)N[C@@H](CO)c6ccccc6)CC1,"InChI=1S/C35H37N3O2/c1-23-19-24(2)36-34-32(23)29-17-8-9-18-31(29)38(34)21-25-11-10-16-28(20-25)33(27-14-6-7-15-27)35(40)37-30(22-39)26-12-4-3-5-13-26/h3-5,8-13,16-20,27,30,33,39H,6-7,14-15,21-22H2,1-2H3,(H,37,40)/t30-,33-/m0/s1",AMNXBQPRODZJQR-DITALETJSA-N
BMGC_DG12634,BMG_DG168978,C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC=CC=C2F,c1cc(COc2ccc(cc2)CN[C@H](C(N)=O)C)c(F)cc1,"InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-6-8-15(9-7-13)22-11-14-4-2-3-5-16(14)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1",BHJIBOFHEFDSAU-LBPRGKRZSA-N
BMGC_DG12635,BMG_DG168980,C/C(=N\N=C(N)N)/C1=CC(=CC(=C1)NC(=O)CCCCCCCCC(=O)NC2=CC(=CC(=C2)/C(=N/N=C(N)N)/C)/C(=N/N=C(N)N)/C)/C(=N/N=C(N)N)/C,O=C(Nc1cc(/C(=N/NC(N)=N)/C)cc(/C(=N/NC(N)=N)/C)c1)CCCCCCCCC(=O)Nc2cc(/C(=N/NC(N)=N)/C)cc(/C(=N/NC(N)=N)/C)c2,"InChI=1S/C34H52N18O2/c1-19(45-49-31(35)36)23-13-24(20(2)46-50-32(37)38)16-27(15-23)43-29(53)11-9-7-5-6-8-10-12-30(54)44-28-17-25(21(3)47-51-33(39)40)14-26(18-28)22(4)48-52-34(41)42/h13-18H,5-12H2,1-4H3,(H,43,53)(H,44,54)(H4,35,36,49)(H4,37,38,50)(H4,39,40,51)(H4,41,42,52)/b45-19+,46-20+,47-21+,48-22+",PWDYHMBTPGXCSN-VCBMUGGBSA-N
BMGC_DG12636,BMG_DG168998,CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)Cl,c1ccc2c(c1)c(cn2CCCCC)C(c3ccc(c4c3cccc4)Cl)=O,"InChI=1S/C24H22ClNO/c1-2-3-8-15-26-16-21(19-11-6-7-12-23(19)26)24(27)20-13-14-22(25)18-10-5-4-9-17(18)20/h4-7,9-14,16H,2-3,8,15H2,1H3",IUWBHGFOHXVVKV-UHFFFAOYSA-N
BMGC_DG12637,BMG_DG169001,,C(CCCC)n1cc(c2c1cccc2)C(c3cccc4c3c(ccc4)Br)=O,,QXZYVJRMQVOOEQ-UHFFFAOYSA-N
BMGC_DG12638,BMG_DG169009,CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N,[C@@]12([C@]3(N[C@@]3([H])CN1C=4C(C(C)=C(C(C4[C@H]2COC(=O)N)=O)N)=O)[H])OC,"InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1",NWIBSHFKIJFRCO-WUDYKRTCSA-N
BMGC_DG12639,BMG_DG169040,CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N,c12ncn(c1c3ccccc3nc2N)CC(C)C,"InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)",DOUYETYNHWVLEO-UHFFFAOYSA-N
BMGC_DG12640,BMG_DG169067,,CN1CCN(CCc2ccc(c(c2)Cl)Cl)CC1,,SUIZRDJCBVPASY-UHFFFAOYSA-N
BMGC_DG12641,BMG_DG169082,,c1c(c2c(cc1)C[C@@H]3[C@@]4(OC)[C@@]2(CC(CC4)=O)CCN3CC5CC5)OC,,INUCRGMCKDQKNA-CEMLEFRQSA-N
BMGC_DG12642,BMG_DG169109,CCCC1=CC(=O)OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)CC(C)C)O,,"InChI=1S/C22H28O5/c1-6-7-14-11-17(24)27-22-15(9-8-12(2)3)20(25)19(21(26)18(14)22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3",VXFHCMCZMKQIMR-UHFFFAOYSA-N
BMGC_DG12643,BMG_DG169112,CC(C)CC(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)CC=C(C)C)O,,"InChI=1S/C25H26O5/c1-14(2)10-11-17-23(28)21-18(16-8-6-5-7-9-16)13-20(27)30-25(21)22(24(17)29)19(26)12-15(3)4/h5-10,13,15,28-29H,11-12H2,1-4H3",SBHOAZQBEGVQLJ-UHFFFAOYSA-N
BMGC_DG12644,BMG_DG169119,COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)OC,,"InChI=1S/C17H14O5/c1-20-14-6-3-10(7-16(14)21-2)13-9-22-15-8-11(18)4-5-12(15)17(13)19/h3-9,18H,1-2H3",VFZIJLPRJAQGFO-UHFFFAOYSA-N
BMGC_DG12645,BMG_DG169130,CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)/C(=N/O)/C3=CC=CC=C3)N=C1N,n1(S(=O)(=O)C(C)C)c(nc2c1cc(/C(=N/O)/c3ccccc3)cc2)N,"InChI=1S/C17H18N4O3S/c1-11(2)25(23,24)21-15-10-13(8-9-14(15)19-17(21)18)16(20-22)12-6-4-3-5-7-12/h3-11,22H,1-2H3,(H2,18,19)/b20-16+",IWKXBHQELWQLHF-CAPFRKAQSA-N
BMGC_DG12646,BMG_DG169141,,C(c1cc(c(c(c1)[N+](=O)[O-])O)O)=O,,BBFJODMCHICIAA-UHFFFAOYSA-N
BMGC_DG12647,BMG_DG169143,CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O,C(C(=O)OCC[N+](CC)(CC)C)(c1ccccc1)(C2CCCCC2)O,"InChI=1S/C21H34NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3/q+1",GFRUPHOKLBPHTQ-UHFFFAOYSA-N
BMGC_DG12648,BMG_DG169155,CCC(=O)N1CC[C@@H](C1)NC2=NC=NC3=C2CN(CC3)C4=CC(=C(N=C4)OC)C(F)(F)F,N(c1c2c(CCN(C2)c3cc(C(F)(F)F)c(nc3)OC)ncn1)[C@@H]4CN(CC4)C(CC)=O,"InChI=1S/C21H25F3N6O2/c1-3-18(31)30-6-4-13(10-30)28-19-15-11-29(7-5-17(15)26-12-27-19)14-8-16(21(22,23)24)20(32-2)25-9-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28)/t13-/m0/s1",MWKYMZXCGYXLPL-ZDUSSCGKSA-N
BMGC_DG12649,BMG_DG169157,CC(C)N1C2=C(CC3(CCN(CC3)C(=O)C4=CC(=NC(=C4)OC)C5=CC=C(C=C5)C(=O)O)CC2=O)C=N1,C(c1ccc(cc1)-c2cc(cc(n2)OC)C(=O)N3CCC4(Cc5cnn(c5C(C4)=O)C(C)C)CC3)(=O)O,"InChI=1S/C28H30N4O5/c1-17(2)32-25-21(16-29-32)14-28(15-23(25)33)8-10-31(11-9-28)26(34)20-12-22(30-24(13-20)37-3)18-4-6-19(7-5-18)27(35)36/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3,(H,35,36)",LXZMHBHEXAELHH-UHFFFAOYSA-N
BMGC_DG12650,BMG_DG169191,,c1ccc2c(c1)c(cn2CCCC)C(c3ccccc3OC)=O,,VXEFELOAOCLJFI-UHFFFAOYSA-N
BMGC_DG12651,BMG_DG169192,,c1ccc2c(c1)c(cn2CCCCC)C(c3ccccc3OC)=O,,NJRFLQZVMFTRAS-UHFFFAOYSA-N
BMGC_DG12652,BMG_DG169220,C/C=C\1/C(=O)N[C@H](C(=O)O[C@H]/2CC(=O)N[C@@H](C(=O)N[C@H](CSSCC/C=C2)C(=O)N1)C(C)C)C(C)C,,"InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7-,16-6-/t15-,17-,19-,20+/m1/s1",OHRURASPPZQGQM-QDBHDZETSA-N
BMGC_DG12653,BMG_DG169236,C[C@@H](CN1C2=C3C=C(C=CC3=NC=C2N(C1=O)C)C4=CC(=CN=C4)C(C)(C)O)OC,n1cc2c(c3cc(ccc13)-c4cncc(c4)C(C)(C)O)n(c(n2C)=O)C[C@H](C)OC,"InChI=1S/C23H26N4O3/c1-14(30-5)13-27-21-18-9-15(16-8-17(11-24-10-16)23(2,3)29)6-7-19(18)25-12-20(21)26(4)22(27)28/h6-12,14,29H,13H2,1-5H3/t14-/m0/s1",ACCFLVVUVBJNGT-AWEZNQCLSA-N
BMGC_DG12654,BMG_DG169240,C[C@@]1(CCN1C(=O)C2=CSC3=CC=CC=C32)C(=O)N(CCCC(=O)O)CC4=CC(=CC=C4)Cl,C(N(Cc1cc(Cl)ccc1)CCCC(O)=O)(=O)[C@]2(C)N(C(=O)c3c4c(sc3)cccc4)CC2,"InChI=1S/C25H25ClN2O4S/c1-25(11-13-28(25)23(31)20-16-33-21-9-3-2-8-19(20)21)24(32)27(12-5-10-22(29)30)15-17-6-4-7-18(26)14-17/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,29,30)/t25-/m1/s1",MPMKMQHJHDHPBE-RUZDIDTESA-N
BMGC_DG12655,BMG_DG169259,C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N,,"InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",XJLXINKUBYWONI-NNYOXOHSSA-N
BMGC_DG12656,BMG_DG169264,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)[H])(CCC(=O)C4)C)[H])(CC[C@@H]2C(=O)CO)[H])C,"InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1",OMFXVFTZEKFJBZ-HJTSIMOOSA-N
BMGC_DG12657,BMG_DG169266,CCCN1CCO[C@H]2[C@H]1CCC3=C2C=C(C=C3)O,[C@]12([C@](N(CCC)CCO1)(CCc3c2cc(cc3)O)[H])[H],"InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1",JCSREICEMHWFAY-HUUCEWRRSA-N
BMGC_DG12658,BMG_DG169268,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,[C@@]12([C@@](C(=O)CO)(CC[C@]2([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)[H])(CCC(=O)C4)C)[H])[H])O)C,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",JYGXADMDTFJGBT-VWUMJDOOSA-N
BMGC_DG12659,BMG_DG169271,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,[C@@]12([C@@](C(=O)CO)(CC[C@]2([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)[H])(C=CC(=O)C4)C)[H])[H])O)C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",OIGNJSKKLXVSLS-VWUMJDOOSA-N
BMGC_DG12660,BMG_DG169278,C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O,[C@]12([C@]([C@]3([C@](c4c(cc(cc4)O)CC3)([H])CC1)[H])(C[C@H]([C@@H]2O)O)[H])C,"InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1",PROQIPRRNZUXQM-ZXXIGWHRSA-N
BMGC_DG12661,BMG_DG169285,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O,[C@]12([C@]([C@@]3(CCc4c([C@]3(CC1)[H])ccc(O)c4)[H])(CC[C@@H]2O)[H])C,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",VOXZDWNPVJITMN-ZBRFXRBCSA-N
BMGC_DG12662,BMG_DG169286,,C(F)(F)(F)c1c(ccc(CO/N=C(\C)/c2cc(C)c(CNCCC(O)=O)cc2)c1)C3CCCCC3,,ONJGGOAOIKKBKX-BIZUNTBRSA-N
BMGC_DG12663,BMG_DG169295,CN1C(=CC=N1)C(=O)NC2=NC(=C(C=C2)C3=C(C=CC(=C3)OC)Cl)N,n1(nccc1C(=O)Nc2ccc(c(n2)N)-c3c(ccc(c3)OC)Cl)C,"InChI=1S/C17H16ClN5O2/c1-23-14(7-8-20-23)17(24)22-15-6-4-11(16(19)21-15)12-9-10(25-2)3-5-13(12)18/h3-9H,1-2H3,(H3,19,21,22,24)",ZRJGMDIPCQOGNI-UHFFFAOYSA-N
BMGC_DG12664,BMG_DG169311,CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C,C12=C[C@@H](C(N(CC)CC)=O)CN([C@@]1(Cc3c4c2cccc4[nH]c3)[H])C,"InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1",VAYOSLLFUXYJDT-RDTXWAMCSA-N
BMGC_DG12665,BMG_DG169321,,c1nc(ccc1)CC(P(O)(O)=O)P(O)(O)=O,,NGMZSXZBZNXBGX-UHFFFAOYSA-N
BMGC_DG12666,BMG_DG169340,COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3CC4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3CC4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O,,"InChI=1S/2C20H24N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t2*13-,14?,19+,20-;/m00./s1",RONWGALEIBILOG-QJEGDNEGSA-N
BMGC_DG12667,BMG_DG169342,CC1(C(=O)N(C2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)COP(=O)([O-])[O-])C,,"InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)/p-2",GKDRMWXFWHEQQT-UHFFFAOYSA-L
BMGC_DG12668,BMG_DG169346,CC[C@H]1CC(C[C@H](N1C(=O)OC2CCC(CC2)C(=O)O)CC)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)C5=CN(N=C5)C,,"InChI=1S/C34H40F6N6O4/c1-4-26-13-28(14-27(5-2)46(26)32(49)50-29-8-6-21(7-9-29)30(47)48)45(31-41-15-22(16-42-31)23-17-43-44(3)19-23)18-20-10-24(33(35,36)37)12-25(11-20)34(38,39)40/h10-12,15-17,19,21,26-29H,4-9,13-14,18H2,1-3H3,(H,47,48)/t21?,26-,27+,28?,29?",KSPXRTYMEVDHAB-LTZKBQIGSA-N
BMGC_DG12669,BMG_DG169356,CC1=CC=CN2C1=NC=C(C2=O)C3=NNN=N3,n12c(c(-c3[nH]nnn3)cnc1c(C)ccc2)=O,"InChI=1S/C10H8N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15)",HIANJWSAHKJQTH-UHFFFAOYSA-N
BMGC_DG12670,BMG_DG169357,CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,c12c(c3ccc(cc3[nH]1)OC)CCN4[C@@]2(C[C@@]5([C@@H]([C@@H](OC)[C@@H](C[C@]5([H])C4)OC(c6cc(OC)c(c(c6)OC)OC)=O)C(=O)OC)[H])[H],"InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1",QEVHRUUCFGRFIF-MDEJGZGSSA-N
BMGC_DG12671,BMG_DG169382,C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=CC=C4,N12C(=O)[C@H]([C@]1(SCC(=C2C([O-])=O)C[n+]3ccccc3)[H])NC(Cc4sccc4)=O,"InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1",CZTQZXZIADLWOZ-CRAIPNDOSA-N
BMGC_DG12672,BMG_DG169394,CC[C@@H](C)NC1=C(C=C(C(=C1)C(=O)NC2CC3CCC(C2)N3C4=NC=C(C=C4)C(=O)C5CC5)C)C(=O)N,,"InChI=1S/C29H37N5O3/c1-4-17(3)32-25-14-23(16(2)11-24(25)28(30)36)29(37)33-20-12-21-8-9-22(13-20)34(21)26-10-7-19(15-31-26)27(35)18-5-6-18/h7,10-11,14-15,17-18,20-22,32H,4-6,8-9,12-13H2,1-3H3,(H2,30,36)(H,33,37)/t17-,20?,21?,22?/m1/s1",LHGWWAFKVCIILM-LAQKFSSHSA-N
BMGC_DG12673,BMG_DG169395,CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O,N(c1cc(O)ccc1)(CC2=NCCN2)c3ccc(cc3)C,"InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)",MRBDMNSDAVCSSF-UHFFFAOYSA-N
BMGC_DG12674,BMG_DG169409,CN(CCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCN(C)CCCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC,c1(c(cc(C(=O)OCCCN(CCN(CCCOC(c2cc(OC)c(c(c2)OC)OC)=O)C)C)cc1OC)OC)OC,"InChI=1S/C30H44N2O10/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6/h17-20H,9-16H2,1-8H3",KRQAMFQCSAJCRH-UHFFFAOYSA-N
BMGC_DG12675,BMG_DG169410,C1CN(CC=C1C2=C(C=C(C=N2)[C@@H](CO)O)Cl)C(=O)NC3=NC=C(C=C3)C(F)(F)F,FC(c1ccc(nc1)NC(=O)N2CC=C(c3ncc(cc3Cl)[C@@H](CO)O)CC2)(F)F,"InChI=1S/C19H18ClF3N4O3/c20-14-7-12(15(29)10-28)8-25-17(14)11-3-5-27(6-4-11)18(30)26-16-2-1-13(9-24-16)19(21,22)23/h1-3,7-9,15,28-29H,4-6,10H2,(H,24,26,30)/t15-/m1/s1",BMWVHVOIXZOJTJ-OAHLLOKOSA-N
BMGC_DG12676,BMG_DG169418,CSC1=NC=NC2=C1NC=N2,n1cnc2c(c1SC)[nH]cn2,"InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)",UIJIQXGRFSPYQW-UHFFFAOYSA-N
BMGC_DG12677,BMG_DG169419,,C(C)(=O)NCC[C@@H]1CCc2ccc3nc(oc3c12)C,,CCRUCMHMQXUZAT-LBPRGKRZSA-N
BMGC_DG12678,BMG_DG169426,C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O,[C@H]([C@@H]([C@H](O)CO)O)([C@@H](O)CO)O,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1",FBPFZTCFMRRESA-JGWLITMVSA-N
BMGC_DG12679,BMG_DG169431,,C1(CC1)(C(=O)Nc2ccc(cc2)Oc3ccnc4cc(c(cc34)OC)OC)C(=O)O,,HXGYPQKHBCZWKO-UHFFFAOYSA-N
BMGC_DG12680,BMG_DG169438,,CC(C)(C(=O)O)NC(=O)C1=C([C@]2([C@@]34CCN([C@H]([C@@]3(C1)O)Cc5c4c(c(cc5)O)O2)CC6CC6)[H])O,,ZYEKVIJVQGLNKU-UIBXUCIYSA-N
BMGC_DG12681,BMG_DG169460,C[C@@H]1[C@H]2CSC(=N[C@]2(CO1)C3=C(C=CC(=C3)NC(=O)C4=NC=C(N=C4)C(F)F)F)N,c1(cnc(cn1)C(F)F)C(=O)Nc2cc(c(cc2)F)[C@@]34N=C(SC[C@@]3([C@H](OC4)C)[H])N,"InChI=1S/C19H18F3N5O2S/c1-9-12-7-30-18(23)27-19(12,8-29-9)11-4-10(2-3-13(11)20)26-17(28)15-6-24-14(5-25-15)16(21)22/h2-6,9,12,16H,7-8H2,1H3,(H2,23,27)(H,26,28)/t9-,12-,19-/m1/s1",AACUJFVOHGRMTR-DPXNYUHVSA-N
BMGC_DG12682,BMG_DG169471,CCOC1=CC=CC=C1C(=O)NCC2=COC(=N2)C3=CC(=C(C=C3)OC(F)F)OC(C)C,C(c1c(cccc1)OCC)(=O)NCc2nc(oc2)-c3cc(c(cc3)OC(F)F)OC(C)C,"InChI=1S/C23H24F2N2O5/c1-4-29-18-8-6-5-7-17(18)21(28)26-12-16-13-30-22(27-16)15-9-10-19(32-23(24)25)20(11-15)31-14(2)3/h5-11,13-14,23H,4,12H2,1-3H3,(H,26,28)",VFBILHPIHUPBPZ-UHFFFAOYSA-N
BMGC_DG12683,BMG_DG169496,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,n1(c([nH]c(c(c1)C)=O)=O)[C@@H]2O[C@H](CO)[C@H](C2)O,"InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1",IQFYYKKMVGJFEH-XLPZGREQSA-N
BMGC_DG12684,BMG_DG169502,,,,
BMGC_DG12685,BMG_DG169503,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)O,n1(c([nH]c(c(c1)F)=O)=O)[C@@H]2O[C@H](CO)[C@H](C2)O,"InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1",ODKNJVUHOIMIIZ-RRKCRQDMSA-N
BMGC_DG12686,BMG_DG169511,CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC3=CC=C(C=C3)OC4=NC5=C(S4)C=CC=N5,C(C)(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc3ccc(cc3)Oc4sc5c(nccc5)n4,"InChI=1S/C22H24N4O2S/c1-14(27)24-16-11-17-6-7-18(12-16)26(17)13-15-4-8-19(9-5-15)28-22-25-21-20(29-22)3-2-10-23-21/h2-5,8-10,16-18H,6-7,11-13H2,1H3,(H,24,27)/t16?,17-,18+",QZOOKXDESAXLGB-AYHJJNSGSA-N;QZOOKXDESAXLGB-BCDXTJNWSA-N
BMGC_DG12687,BMG_DG169520,,,,
BMGC_DG12688,BMG_DG169522,CC(C)C[C@@H](C(=O)NC1=NN(C=C1)C[C@H](CO)O)N2CC(=CC2=O)OC3=CC=CC=C3Cl,c1ccc(c(c1)Cl)OC=2CN(C(C2)=O)[C@H](C(Nc3ccn(n3)C[C@H](CO)O)=O)CC(C)C,"InChI=1S/C22H27ClN4O5/c1-14(2)9-18(22(31)24-20-7-8-26(25-20)11-15(29)13-28)27-12-16(10-21(27)30)32-19-6-4-3-5-17(19)23/h3-8,10,14-15,18,28-29H,9,11-13H2,1-2H3,(H,24,25,31)/t15-,18+/m1/s1",HMUMWSORCUWQJO-QAPCUYQASA-N
BMGC_DG12689,BMG_DG169524,C1[C@@H]2CC3(C[C@@H](C2NC4=C5C=CNC5=NC=C4C(=O)N)CC1C3)O,c12[nH]ccc1c(N[C@H]3[C@@H]4C[C@@]5(CC(C[C@@H]3C5)C4)O)c(C(N)=O)cn2,"InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9?,10-,11+,14?,18?",DREIJXJRTLTGJC-RRBRBRQDSA-N;DREIJXJRTLTGJC-JQCLMNFQSA-N
BMGC_DG12690,BMG_DG169525,C1C2CC3CC(C2)(CC1C3NC4=C5C=CNC5=NC=C4C(=O)N)O,,"InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)",DREIJXJRTLTGJC-UHFFFAOYSA-N
BMGC_DG12691,BMG_DG169527,C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1",WQZGKKKJIJFFOK-GASJEMHNSA-N
BMGC_DG12692,BMG_DG169533,C1=CC=C2C(=C1)C(=O)/C(=C/C3=CC(=C(C=C3)O)O)/O2,,"InChI=1S/C15H10O4/c16-11-6-5-9(7-12(11)17)8-14-15(18)10-3-1-2-4-13(10)19-14/h1-8,16-17H/b14-8-",HCBULGQMULJTCM-ZSOIEALJSA-N
BMGC_DG12693,BMG_DG169535,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,c12c(cc(c(c1)COCCOCCOCCCC)CCC)OCO2,"InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3",FIPWRIJSWJWJAI-UHFFFAOYSA-N
BMGC_DG12694,BMG_DG169543,,,,
BMGC_DG12695,BMG_DG169565,C1=CC=C2C(=C1)NC=N2,c12c([nH]cn1)cccc2,"InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)",HYZJCKYKOHLVJF-UHFFFAOYSA-N
BMGC_DG12696,BMG_DG169568,,N1([C@@H](C[C@@H](CC1)CC(=O)O)c2ccc(cc2)C(F)(F)F)[C@H](CCC(C)C)c3ccc(cc3)Cl,,VMVWLAPASRQXFL-QFWMQHCXSA-N
BMGC_DG12697,BMG_DG169571,C1CN1C2=NC(=NC(=N2)N3CC3)N4CC4,c1(nc(N2CC2)nc(n1)N3CC3)N4CC4,InChI=1S/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2,IUCJMVBFZDHPDX-UHFFFAOYSA-N
BMGC_DG12698,BMG_DG169584,CCC(=O)C(=O)O,CCC(=O)C(=O)O,"InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)",TYEYBOSBBBHJIV-UHFFFAOYSA-N
BMGC_DG12699,BMG_DG169606,C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(=O)O)I)I)O,c1(c(cc(cc1I)CC(=O)O)I)Oc2cc(I)c(cc2)O,"InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)",UOWZUVNAGUAEQC-UHFFFAOYSA-N
BMGC_DG12700,BMG_DG169608,C[C@H]([C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C(=C3)F)[C@H]4CC[C@@H](N4C5=CC(=C(C(=C5)F)N6CCC(CC6)C7=CC=C(C=C7)F)F)C8=CC9=C(C=C8F)N=C(N9)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)OC)NC(=O)OC)NC(=O)OC)OC,C(N[C@H](C(=O)N1[C@@H](CCC1)c2nc3c([nH]2)cc(c(c3)[C@@H]4N([C@H](CC4)c5cc6nc([nH]c6cc5F)[C@H]7N(CCC7)C([C@@H](NC(=O)OC)[C@@H](C)OC)=O)c8cc(c(c(c8)F)N9CCC(CC9)c%10ccc(cc%10)F)F)F)[C@@H](C)OC)(=O)OC,"InChI=1S/C57H65F5N10O8/c1-29(77-3)49(67-56(75)79-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(2)78-4)68-57(76)80-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t29-,30-,45-,46-,47+,48+,49+,50+/m1/s1",VJYSBPDEJWLKKJ-NLIMODCCSA-N
BMGC_DG12701,BMG_DG169616,,c1(c(cc(cc1I)CCC(=O)O)I)Oc2cc(I)c(cc2)O,,VRORTNGXAKZJML-UHFFFAOYSA-N
BMGC_DG12702,BMG_DG169623,,c1cc2c(c3c(n2CCF)CCC[C@@H]3C(=O)N(CC)CC)c(OC)c1,,ZVDVQPLDTTXLKI-AWEZNQCLSA-N
BMGC_DG12703,BMG_DG169625,CC(C)NCC(C1=CC(=C(C=C1)Cl)Cl)O,c1(cc(C(CNC(C)C)O)ccc1Cl)Cl,"InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3",VKMGSWIFEHZQRS-UHFFFAOYSA-N
BMGC_DG12704,BMG_DG169641,C[C@H]1[C@@H]([C@](C[C@H]([C@]2([C@H]3[C@@]1(CCC2C)CCC3=O)C)OC(=O)CS[C@@H]4CC[C@H](C[C@H]4O)N)(C)C=C)O,[C@@H]1([C@@]2(C(C)CC[C@]3(CCC([C@]32[H])=O)[C@H]([C@H](O)[C@@](C1)(C=C)C)C)C)OC(CS[C@H]4[C@@H](C[C@@H](CC4)N)O)=O,"InChI=1S/C28H45NO5S/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3/t16?,17-,18+,20+,21+,22+,24-,25-,26+,27-,28-/m0/s1",KPVIXBKIJXZQJX-CSOZIWFHSA-N
BMGC_DG12705,BMG_DG169646,,c1c(c(O)ccc1[C@@H](CNC(C)C)O)O,,JWZZKOKVBUJMES-LLVKDONJSA-N
BMGC_DG12706,BMG_DG169653,C1[C@H](CN[C@@H]1C(=O)O)O,N1[C@H](C(=O)O)C[C@H](C1)O,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",PMMYEEVYMWASQN-DMTCNVIQSA-N
BMGC_DG12707,BMG_DG169655,,O=c1c2c(cc(O)c(CC=C(C)C)c2O)occ1-c3cc4c(cc3)OCO4,,FTBGFGQPUMCUSC-UHFFFAOYSA-N
BMGC_DG12708,BMG_DG169659,CC1=CSC2=NC(=C(C(=O)N12)C3=CC(=CC=C3)F)[C@H](C)NC4=NC=NC5=C4NC=N5,c12nc(c(c(n1c(cs2)C)=O)-c3cc(ccc3)F)[C@H](C)Nc4ncnc5[nH]cnc45,"InChI=1S/C20H16FN7OS/c1-10-7-30-20-27-15(11(2)26-18-16-17(23-8-22-16)24-9-25-18)14(19(29)28(10)20)12-4-3-5-13(21)6-12/h3-9,11H,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1",RSIWALKZYXPAGW-NSHDSACASA-N
BMGC_DG12709,BMG_DG169667,CC(C)[C@@H](C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)F,n1(nc(c2ccccc12)C(=O)N[C@H](C(=O)N)C(C)C)Cc3ccc(cc3)F,"InChI=1S/C20H21FN4O2/c1-12(2)17(19(22)26)23-20(27)18-15-5-3-4-6-16(15)25(24-18)11-13-7-9-14(21)10-8-13/h3-10,12,17H,11H2,1-2H3,(H2,22,26)(H,23,27)/t17-/m0/s1",AKOOIMKXADOPDA-KRWDZBQOSA-N
BMGC_DG12710,BMG_DG169677,CN1C(=C(C2=C1C(=O)C=C(C2=O)N3CC3)CO)/C=C/CO,c1(CO)c(/C=C/CO)n(c2C(C=C(C(c21)=O)N3CC3)=O)C,"InChI=1S/C15H16N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h2-3,7,18-19H,4-6,8H2,1H3/b3-2+",MXPOCMVWFLDDLZ-NSCUHMNNSA-N
BMGC_DG12711,BMG_DG169688,CNC[C@@H](C1=CC(=C(C=C1)O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.c1cc(O)c(cc1[C@@H](O)CNC)O,"InChI=1S/C9H13NO3.C4H6O6/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;5-1(3(7)8)2(6)4(9)10/h2-4,9-13H,5H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t9-;1-,2-/m01/s1",YLXIPWWIOISBDD-NDAAPVSOSA-N
BMGC_DG12712,BMG_DG169697,CNC[C@@H](C1=CC(=C(C=C1)O)O)O,c1c(c(O)ccc1[C@@H](O)CNC)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1",UCTWMZQNUQWSLP-VIFPVBQESA-N
BMGC_DG12713,BMG_DG169703,,C(CCCC(N1CCCCC1)=O)c2cc3c(cc2)OCO3,,APZYKUZPJCQGPP-UHFFFAOYSA-N
BMGC_DG12714,BMG_DG169704,,c1(cc(c(Cl)cc1)Cl)C(O)=O,,VPHHJAOJUJHJKD-UHFFFAOYSA-N
BMGC_DG12715,BMG_DG169711,,c1cncc(c1N)Cl,,KJBKPRMEMJKXDV-UHFFFAOYSA-N
BMGC_DG12716,BMG_DG169715,C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)N,c1(c(cc(cc1I)C[C@@H](C(=O)O)N)I)Oc2cc(I)c(c(c2)I)O,"InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1",XUIIKFGFIJCVMT-LBPRGKRZSA-N
BMGC_DG12717,BMG_DG169727,CN1C[C@H](C2=C(C1)C=C(C=C2)C3=NN=C(C=C3)N)C4=CC5=CC=CC=C5C=C4,c1ccc2c(c1)cc(cc2)[C@H]3c4c(CN(C)C3)cc(cc4)-c5ccc(nn5)N,"InChI=1S/C24H22N4/c1-28-14-20-13-19(23-10-11-24(25)27-26-23)8-9-21(20)22(15-28)18-7-6-16-4-2-3-5-17(16)12-18/h2-13,22H,14-15H2,1H3,(H2,25,27)/t22-/m0/s1",VCIBGDSRPUOBOG-QFIPXVFZSA-N
BMGC_DG12718,BMG_DG169754,,[N+](CCOc1ccc(cc1)/C=C/c2ccccc2)(CC)(CC)CC,,YIMFXBPXUPTIEJ-OUKQBFOZSA-N
BMGC_DG12719,BMG_DG169755,C[C@@H](CC1=CC=CC=C1)N.C[C@@H](CC1=CC=CC=C1)N.OS(=O)(=O)O,S(=O)(O)(O)=O.C(c1ccccc1)[C@@H](N)C.C(c1ccccc1)[C@@H](N)C,"InChI=1S/2C9H13N.H2O4S/c2*1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2*2-6,8H,7,10H2,1H3;(H2,1,2,3,4)/t2*8-;/m00./s1",PYHRZPFZZDCOPH-QXGOIDDHSA-N
BMGC_DG12720,BMG_DG169757,CN1CCN(CC1)C2=C(C=C3C4=C2SCCN4C=C(C3=O)C(=O)O)F,c1(c(c2cc(F)c(c3c2n(c1)CCS3)N4CCN(CC4)C)=O)C(=O)O,"InChI=1S/C17H18FN3O3S/c1-19-2-4-20(5-3-19)14-12(18)8-10-13-16(14)25-7-6-21(13)9-11(15(10)22)17(23)24/h8-9H,2-7H2,1H3,(H,23,24)",NJCJBUHJQLFDSW-UHFFFAOYSA-N
BMGC_DG12721,BMG_DG169758,C[C@@H](CC1=CC=CC=C1)N,C(c1ccccc1)[C@@H](N)C,"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1",KWTSXDURSIMDCE-QMMMGPOBSA-N
BMGC_DG12722,BMG_DG169760,CCOP(=O)(CN1C=CC(=N1)NC(=O)C2=CC(=CC(=C2)OC(C)C)OC3=NC=C(N=C3)C(=O)N4CCC4)OCC,,"InChI=1S/C26H33N6O7P/c1-5-36-40(35,37-6-2)17-32-11-8-23(30-32)29-25(33)19-12-20(38-18(3)4)14-21(13-19)39-24-16-27-22(15-28-24)26(34)31-9-7-10-31/h8,11-16,18H,5-7,9-10,17H2,1-4H3,(H,29,30,33)",OYUDYQMFVRHPIY-UHFFFAOYSA-N
BMGC_DG12723,BMG_DG169761,CCN1CCC(CC1)OC2=C3C4=C(NC3=CN=C2C#N)N=CC=C4,N#Cc1ncc2c(c3cccnc3[nH]2)c1OC4CCN(CC4)CC,"InChI=1S/C18H19N5O/c1-2-23-8-5-12(6-9-23)24-17-14(10-19)21-11-15-16(17)13-4-3-7-20-18(13)22-15/h3-4,7,11-12H,2,5-6,8-9H2,1H3,(H,20,22)",XEZLBMHDUXSICI-UHFFFAOYSA-N
BMGC_DG12724,BMG_DG169766,,,,
BMGC_DG12725,BMG_DG169767,CC(C)OC1=NC=C(C=C1)C2=NNC3=C2C=C(C=C3)NC(=O)[C@@]4(CCN(C4)CC(=O)N5CCC(=CC5)C6=CC=C(C=C6)C7=NN(C=N7)C)SC,,"InChI=1S/C37H41N9O3S/c1-24(2)49-32-12-9-28(20-38-32)34-30-19-29(10-11-31(30)41-42-34)40-36(48)37(50-4)15-18-45(22-37)21-33(47)46-16-13-26(14-17-46)25-5-7-27(8-6-25)35-39-23-44(3)43-35/h5-13,19-20,23-24H,14-18,21-22H2,1-4H3,(H,40,48)(H,41,42)/t37-/m0/s1",KPQQGHGDBBJGFA-QNGWXLTQSA-N
BMGC_DG12726,BMG_DG169770,CC(C)(C1=NC=C(C=C1)C2=CN=C3C(=N2)N(C(=O)CN3)C4CCC(CC4)OC)O,c1(nc2c(nc1)NCC(N2[C@H]3CC[C@@H](CC3)OC)=O)-c4cnc(cc4)C(C)(C)O,"InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)",UFKLYTOEMRFKAD-UHFFFAOYSA-N;UFKLYTOEMRFKAD-SHTZXODSSA-N
BMGC_DG12727,BMG_DG169771,CCN1C(=O)CNC2=NC=C(N=C21)C3=C(N=C(C=C3)C4=NC=NN4)C,c1(nc2c(nc1)NCC(N2CC)=O)-c3c(nc(cc3)-c4nnc[nH]4)C,"InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)",GMYLVKUGJMYTFB-UHFFFAOYSA-N
BMGC_DG12728,BMG_DG169774,CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C5=C4OC(=C(C5=O)CC=C(C)C)C6=C(C=C(C=C6)O)O)O)O,,"InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3",APPXYONGBIXGRO-UHFFFAOYSA-N
BMGC_DG12729,BMG_DG169776,C[N+](C)(C)CCOC(=O)N.[Cl-],C(=O)(N)OCC[N+](C)(C)C.[Cl-],"InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H",AIXAANGOTKPUOY-UHFFFAOYSA-N
BMGC_DG12730,BMG_DG169782,CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C,[C@]12([C@@](C#C)(OC(=O)C)CC[C@]1([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)[H])[H])[H])C,"InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1",IMONTRJLAWHYGT-ZCPXKWAGSA-N
BMGC_DG12731,BMG_DG169787,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,[C@]12(C(=CC(CC1)=O)C[C@H]([C@]3([C@@]4(CC[C@@]5([C@]4(CC[C@]23[H])C)OC(=O)CC5)[H])[H])SC(=O)C)C,"InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1",LXMSZDCAJNLERA-ZHYRCANASA-N
BMGC_DG12732,BMG_DG169789,CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O,[C@@]12([C@@](C(COC(=O)C)=O)(CC[C@]2([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)[H])(C=CC(=O)C4)C)[H])[H])O)C,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",LRJOMUJRLNCICJ-JZYPGELDSA-N
BMGC_DG12733,BMG_DG169805,CCC1C(C(C(/C(=N\OCOCCOC)/C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O,,"InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31-",RXZBMPWDPOLZGW-QZJDNAQXSA-N
BMGC_DG12734,BMG_DG169809,CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2,C1(C(NC(NC1=O)=O)=O)(C2=CCCCC2)CC,"InChI=1S/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17)",WTYGAUXICFETTC-UHFFFAOYSA-N
BMGC_DG12735,BMG_DG169815,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)[H])(CCC(=O)C4)C)[H])(CC[C@@H]2C(=O)CO)[H])C=O,"InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1",PQSUYGKTWSAVDQ-ZVIOFETBSA-N
BMGC_DG12736,BMG_DG169831,C=CCC1(C(=O)NC(=O)NC1=O)CC=C,N1C(C(CC=C)(CC=C)C(NC1=O)=O)=O,"InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)",FDQGNLOWMMVRQL-UHFFFAOYSA-N
BMGC_DG12737,BMG_DG169836,C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N,S\1C(NC(/C1=C/c2c(c(ccc2)-c3ccccc3)N4C[C@@H](CCC4)N)=O)=O,"InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/b18-12-/t16-/m1/s1",MCUJKPPARUPFJM-UWCCDQBKSA-N
BMGC_DG12738,BMG_DG169847,CC1=CC(=NC=N1)C2=CC3=C(C=C2)[C@@H](CC3)N4CC5(C4)CCN(CC5)C(=O)CC6=CN7C=C(SC7=N6)C,c1c(ncnc1-c2ccc3c(c2)CC[C@H]3N4CC5(CCN(CC5)C(=O)Cc6nc7n(c6)cc(s7)C)C4)C,"InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1",ZIUDADZJCKGWKR-AREMUKBSSA-N
BMGC_DG12739,BMG_DG169848,,c1cc(\C=C\c2ccc(cc2)N)cc(c1)N,,IXGDBTKLQUHIAX-SNAWJCMRSA-N
BMGC_DG12740,BMG_DG169857,CN1C(=NNC1=O)CN2C=CC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(F)(F)F,C(c1cc(cc(c1)Oc2c(n(ccc2C(F)(F)F)Cc3n[nH]c(n3C)=O)=O)Cl)#N,"InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)",ZIAOVIPSKUPPQW-UHFFFAOYSA-N
BMGC_DG12741,BMG_DG169877,CN1C(=O)C=C2C(=C1C3=CC(=CC=C3)N(C)C)C(=O)N(N2)C4=CC=CC=C4Cl,c1(c2c(cc(n1C)=O)[nH]n(c2=O)-c3c(cccc3)Cl)-c4cc(ccc4)N(C)C,"InChI=1S/C21H19ClN4O2/c1-24(2)14-8-6-7-13(11-14)20-19-16(12-18(27)25(20)3)23-26(21(19)28)17-10-5-4-9-15(17)22/h4-12,23H,1-3H3",RGYQPQARIQKJKH-UHFFFAOYSA-N
BMGC_DG12742,BMG_DG169878,C[N+]1(CCCC1)CCCCC[N+]2(CCCC2)C,[N+]1(C)(CCCC1)CCCCC[N+]2(C)CCCC2,"InChI=1S/C15H32N2/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17/h3-15H2,1-2H3/q+2",XSBSKEQEUFOSDD-UHFFFAOYSA-N
BMGC_DG12743,BMG_DG169881,CCN(CC)CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C,CCN(CC)CCNC(=O)c1ccc(cc1)NS(C)(=O)=O,"InChI=1S/C14H23N3O3S/c1-4-17(5-2)11-10-15-14(18)12-6-8-13(9-7-12)16-21(3,19)20/h6-9,16H,4-5,10-11H2,1-3H3,(H,15,18)",KHYPYQZQJSBPIX-UHFFFAOYSA-N
BMGC_DG12744,BMG_DG169883,C1COCCN1C2=NC(=NC(=N2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4,n1c(nc(nc1N2CCOCC2)-c3c(cc(nc3)N)C(F)(F)F)N4CCOCC4,"InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)",ADGGYDAFIHSYFI-UHFFFAOYSA-N
BMGC_DG12745,BMG_DG169886,,c12ccc(cc1sc(n2CCN3CCCCCC3)=O)CCCF,,DNGYIBDXSUNKMV-UHFFFAOYSA-N
BMGC_DG12746,BMG_DG169894,CC(C)([C@H](C(=O)O)N)S,[C@H](C(=O)O)(C(S)(C)C)N,"InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1",VVNCNSJFMMFHPL-VKHMYHEASA-N
BMGC_DG12747,BMG_DG169897,COP(=O)(C(C(Cl)(Cl)Cl)O)OC,P(C(C(Cl)(Cl)Cl)O)(=O)(OC)OC,"InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3",NFACJZMKEDPNKN-UHFFFAOYSA-N
BMGC_DG12748,BMG_DG169909,CC[C@@H]1CN(C[C@@H]1C2=CN=C3N2C4=C(NC=C4)N=C3)C(=O)NCC(F)(F)F,C(C)[C@H]1[C@@H](c2n3c4c([nH]cc4)ncc3nc2)CN(C(NCC(F)(F)F)=O)C1,"InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1",WYQFJHHDOKWSHR-MNOVXSKESA-N
BMGC_DG12749,BMG_DG169911,CC1=C(C(=NN1C)CC(C)C)NS(=O)(=O)C2=C(C=C(C=C2Cl)C3=CC(=NC=C3)N4CCNCC4)Cl,N(S(=O)(=O)c1c(Cl)cc(cc1Cl)-c2cc(ncc2)N3CCNCC3)c4c(CC(C)C)nn(C)c4C,"InChI=1S/C24H30Cl2N6O2S/c1-15(2)11-21-23(16(3)31(4)29-21)30-35(33,34)24-19(25)12-18(13-20(24)26)17-5-6-28-22(14-17)32-9-7-27-8-10-32/h5-6,12-15,27,30H,7-11H2,1-4H3",WKTSLVQYGBHNRV-UHFFFAOYSA-N
BMGC_DG12750,BMG_DG169914,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CCCC[C@H]34,[C@]12([C@]([C@]3([C@]([C@@]4(C(=CCCC4)CC3)[H])([H])CC1)[H])(CC[C@]2(C#C)O)[H])C,"InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1",YNVGQYHLRCDXFQ-XGXHKTLJSA-N
BMGC_DG12751,BMG_DG169915,CC(C)[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl,[C@@H](CS(C(C)C)(=O)=O)(C(C)C)N1[C@@H]([C@H](C[C@@](CC(O)=O)(C)C1=O)c2cc(Cl)ccc2)c3ccc(Cl)cc3,"InChI=1S/C28H35Cl2NO5S/c1-17(2)24(16-37(35,36)18(3)4)31-26(19-9-11-21(29)12-10-19)23(20-7-6-8-22(30)13-20)14-28(5,27(31)34)15-25(32)33/h6-13,17-18,23-24,26H,14-16H2,1-5H3,(H,32,33)/t23-,24-,26-,28-/m1/s1",DRLCSJFKKILATL-YWCVFVGNSA-N
BMGC_DG12752,BMG_DG169916,,c1cc2[nH]c(nc(C)c2c(c1OC)OC)=O,,WVNXGAOAWSQPAL-UHFFFAOYSA-N
BMGC_DG12753,BMG_DG169924,CN(C)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC,S(c1ccc(OP(=S)(OC)OC)cc1)(N(C)C)(=O)=O,"InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3",JISACBWYRJHSMG-UHFFFAOYSA-N
BMGC_DG12754,BMG_DG169931,CN(CC(=O)O)C(=N)N,C(N(CC(=O)O)C)(=N)N,"InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)",CVSVTCORWBXHQV-UHFFFAOYSA-N
BMGC_DG12755,BMG_DG169943,C([C@@H](C(=O)O)N)S,C([C@@H](C(=O)O)N)S,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1",XUJNEKJLAYXESH-REOHCLBHSA-N
BMGC_DG12756,BMG_DG169950,C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O,[C@@]12([C@@](C(=O)CO)(CC[C@]2([C@@]3(CC[C@]4([C@@]([C@]3([C@H](C1)O)[H])(CC[C@@H](O)C4)C)[H])[H])[H])O)C,"InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18-,19+,20+,21+/m1/s1",AODPIQQILQLWGS-GXBDJPPSSA-N
BMGC_DG12757,BMG_DG169956,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,[C@@]12([C@@](C(=O)CO)(CC[C@]2([C@@]3(CCC=4[C@@]([C@]3(C(C1)=O)[H])(C=CC(=O)C4)C)[H])[H])O)C,"InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1",XOFYZVNMUHMLCC-ZPOLXVRWSA-N
BMGC_DG12758,BMG_DG169966,C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,[C@@]12([C@@](C(=O)CO)(CC[C@]2([C@@]3(CC[C@]4([C@@]([C@]3(C(C1)=O)[H])(CC[C@@H](O)C4)C)[H])[H])[H])O)C,"InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m1/s1",SYGWGHVTLUBCEM-ZIZPXRJBSA-N
BMGC_DG12759,BMG_DG169985,,O=C(CS(=O)(=O)c1ccccc1)c2ccc(Cl)cc2,,KZACHGLUJYSTGQ-UHFFFAOYSA-N
BMGC_DG12760,BMG_DG169988,CN(CC(=O)O)C(=NP(=O)(O)O)N,N(CC(O)=O)(C(NP(O)(O)=O)=N)C,"InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)",DRBBFCLWYRJSJZ-UHFFFAOYSA-N
BMGC_DG12761,BMG_DG169989,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O,[C@]12([C@]([C@@]3(CCc4c([C@]3(CC1)[H])ccc(O)c4)[H])(CCC2=O)[H])C;[C@]12([C@]([C@]3([C@@](c4c(CC3)cc(cc4)O)(CC1)[H])[H])(CCC2=O)[H])C,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1",DNXHEGUUPJUMQT-CBZIJGRNSA-N
BMGC_DG12762,BMG_DG170019,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)F,[C@@]12(C([C@@H](F)C[C@]3([C@@]4(C[C@@H](C)[C@@]([C@]4(C[C@@H]([C@@]31[H])O)C)(C(=O)CO)O)[H])[H])=CC(C=C2)=O)C,"InChI=1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1",MKPDWECBUAZOHP-AFYJWTTESA-N
BMGC_DG12763,BMG_DG170022,C1CC2=CC=CC=C2C(/C(=C/C(=O)O)/C1)O,C(O)(=O)/C=C\1/C(O)c2ccccc2CCC1,"InChI=1S/C13H14O3/c14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)13(10)16/h1-2,4,7-8,13,16H,3,5-6H2,(H,14,15)/b10-8+",UADPGHINQMWEAG-CSKARUKUSA-N
BMGC_DG12764,BMG_DG170026,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@]34C)F)O,[C@@]12(C([C@@H](F)C[C@@]3([C@@]1([C@H](C[C@@]4([C@](C(=O)CO)(O)CC[C@@]34[H])C)O)[H])[H])=CC(C=C2)=O)C,"InChI=1S/C21H27FO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7,12-13,15-16,18,23,25,27H,4,6,8-10H2,1-2H3/t12-,13-,15-,16-,18+,19-,20-,21-/m0/s1",MYYIMZRZXIQBGI-HVIRSNARSA-N
BMGC_DG12765,BMG_DG170030,C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)C)O,[C@]12(C(=CC(C=C1)=O)[C@@H](C)C[C@@]3([C@@]2([C@H](C[C@@]4([C@](C(COC(=O)C)=O)(O)CC[C@@]34[H])C)O)[H])[H])C,"InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1",PLBHSZGDDKCEHR-LFYFAGGJSA-N
BMGC_DG12766,BMG_DG170034,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COC(=O)C4)C,[C@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)(O)C)[H])([H])CC[C@]1(CC(OC2)=O)[H])[H])C,"InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1",QSLJIVKCVHQPLV-PEMPUTJUSA-N
BMGC_DG12767,BMG_DG170044,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,[C@]12([C@@]3([C@]([C@@]4(CCC([C@]4(CC3)C)=O)[H])(CC[C@]1(C[C@@H](CC2)O)[H])[H])[H])C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1",QGXBDMJGAMFCBF-HLUDHZFRSA-N
BMGC_DG12768,BMG_DG170050,CN1CC(=O)N=C1N,C1(=NC(=O)CN1C)N,"InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)",DDRJAANPRJIHGJ-UHFFFAOYSA-N
BMGC_DG12769,BMG_DG170051,C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,[C@]12([C@@](C[C@@H](CC1)O)(CC[C@]3([C@@]4(CCC([C@]4(CC[C@]23[H])C)=O)[H])[H])[H])C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1",QGXBDMJGAMFCBF-BNSUEQOYSA-N
BMGC_DG12770,BMG_DG170053,,S(c1ccccc1)(=O)(=O)N(F)S(c2ccccc2)(=O)=O,,RLKHFSNWQCZBDC-UHFFFAOYSA-N
BMGC_DG12771,BMG_DG170060,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C,[C@@]12(C(=CC[C@]3([C@@]4(CCC([C@]4(CC[C@]13[H])C)=O)[H])[H])C[C@@H](O)CC2)C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1",FMGSKLZLMKYGDP-USOAJAOKSA-N
BMGC_DG12772,BMG_DG170076,C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O,O([C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@@H]2[C@@H](O)[C@@H](O)[C@H](N3C=CCC(C(=O)N)=C3)O2)O[C@H]1n4cnc5c(ncnc54)N)P(O)(O)=O,"InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",ACFIXJIJDZMPPO-NNYOXOHSSA-N
BMGC_DG12773,BMG_DG170081,C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N,O(P(=O)(O)O)[C@H]1[C@@H](O[C@H](COP(OP(OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]3cc(C(N)=O)ccc3)(=O)[O-])(=O)O)[C@H]1O)n4c5c(nc4)c(N)ncn5,"InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",XJLXINKUBYWONI-NNYOXOHSSA-N
BMGC_DG12774,BMG_DG170087,,c1(cc2cc(c(nc2cc1)OC)[C@H]([C@@](c3cccc4c3cccc4)(O)CCNC)c5ccccc5)Br,,GOBOQBZOZDRXCQ-BVRKHOPBSA-N
BMGC_DG12775,BMG_DG170091,C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N,,"InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",XJLXINKUBYWONI-NNYOXOHSSA-O
BMGC_DG12776,BMG_DG170098,,[C@]12([C@]([C@@]3(CCc4c([C@]3(CC1)[H])ccc(O)c4)[H])(CCC2)[H])C,,HJKVPZJVBHWFCQ-BDXSIMOUSA-N
BMGC_DG12777,BMG_DG170102,C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C32,c12c(cc3c(c1)ccc4ccccc34)ccc5c2cccc5,InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H,LHRCREOYAASXPZ-UHFFFAOYSA-N
BMGC_DG12778,BMG_DG170103,,c12c(ccc(c1O)C(/C=C/c3ccc(cc3)O)=O)OC(C=C2)(C)C,,IQHPDUUSMBMDGN-WEVVVXLNSA-N
BMGC_DG12779,BMG_DG170104,,c1(ccc(S(N)(=O)=O)cc1)Nc2nc(N[C@@H](CO)C)c(Br)cn2,,MJIALGDLOLWBRQ-MRVPVSSYSA-N
BMGC_DG12780,BMG_DG170107,,Cc1[nH]c2ccccc2c1CCNC(=O)c3cccs3,,ACAKNPKRLPMONU-UHFFFAOYSA-N
BMGC_DG12781,BMG_DG170109,,Nc1cc2c(cc1)cncc2,,NGFCTYXFMDWFRQ-UHFFFAOYSA-N
BMGC_DG12782,BMG_DG170120,C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N,O[C@H]1[C@@H](O[C@H](COP(OP(OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]3cc(C(N)=O)ccc3)(=O)[O-])(=O)O)[C@H]1O)n4c5c(nc4)c(N)ncn5,"InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",BAWFJGJZGIEFAR-NNYOXOHSSA-N
BMGC_DG12783,BMG_DG170130,C1=C2C(=CC(=C1Cl)Cl)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n2cnc3cc(Cl)c(Cl)cc32,"InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2/t9-,10-,11-,12-/m1/s1",XHSQDZXAVJRBMX-DDHJBXDOSA-N
BMGC_DG12784,BMG_DG170171,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO)O)c([nH]c(cn1)=O)=O,"InChI=1S/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)/t3-,5-,6-,7-/m1/s1",WYXSYVWAUAUWLD-SHUUEZRQSA-N
BMGC_DG12785,BMG_DG170182,CCN(CC)CCNC(C1=CC=CC=C1)C(=O)OCCC(C)C,N(CCNC(c1ccccc1)C(OCCC(C)C)=O)(CC)CC,"InChI=1S/C19H32N2O2/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4/h7-11,16,18,20H,5-6,12-15H2,1-4H3",RYOOHIUJEJZCFT-UHFFFAOYSA-N
BMGC_DG12786,BMG_DG170193,CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C,[H][C@@]12N([C@@H](C(O)=O)C(C)(C)S1)C(=O)[C@H]2NC(=O)Cc3ccccc3.CCN(CC)CCOC(=O)c1ccc(cc1)N,"InChI=1S/C16H18N2O4S.C13H20N2O2/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3/t11-,12+,14-;/m1./s1",WHRVRSCEWKLAHX-LQDWTQKMSA-N
BMGC_DG12787,BMG_DG170197,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C,N12[C@@](SC([C@@H]1C(=O)O)(C)C)([H])[C@@H](C2=O)NC(=O)Cc3ccccc3,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",JGSARLDLIJGVTE-MBNYWOFBSA-N
BMGC_DG12788,BMG_DG170204,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)O,n1(c([nH]c(c(c1)I)=O)=O)[C@@H]2O[C@H](CO)[C@H](C2)O,"InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1",XQFRJNBWHJMXHO-RRKCRQDMSA-N
BMGC_DG12789,BMG_DG170213,C[C@@H]([C@@H](C1=CC(=CC=C1)O)O)N,c1([C@H]([C@@H](N)C)O)cc(O)ccc1,"InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1",WXFIGDLSSYIKKV-RCOVLWMOSA-N
BMGC_DG12790,BMG_DG170225,,,,
BMGC_DG12791,BMG_DG170230,CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C.Cl,c1(n(cnc1)C)C[C@@H]2[C@@H](C(=O)OC2)CC.Cl,"InChI=1S/C11H16N2O2.ClH/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;/h5,7-8,10H,3-4,6H2,1-2H3;1H/t8-,10-;/m0./s1",RNAICSBVACLLGM-GNAZCLTHSA-N
BMGC_DG12792,BMG_DG170236,CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C,c1(n(cnc1)C)C[C@@H]2[C@@H](C(=O)OC2)CC,"InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1",QCHFTSOMWOSFHM-WPRPVWTQSA-N
BMGC_DG12793,BMG_DG170238,,c1(oc(cc1)/C=[N+](/CCO)\[O-])[N+](=O)[O-],,QSWZUVFMUIEHAG-YVMONPNESA-N
BMGC_DG12794,BMG_DG170241,,C1(=CC(=O)C(O1)(C)C)/C(=C/COc2cc3oc(=O)ccc3cc2)/C,,OUTLLBZGJYDUQE-XYOKQWHBSA-N
BMGC_DG12795,BMG_DG170281,C1CCC2=NN=NN2CC1,n1nn2CCCCCc2n1,InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2,CWRVKFFCRWGWCS-UHFFFAOYSA-N
BMGC_DG12796,BMG_DG170286,COCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)NC(=O)C=C)F,c1c(cc(cc1)NC(=O)C=C)Nc2c(F)cnc(Nc3ccc(OCCOC)cc3)n2,"InChI=1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)",KXBDTLQSDKGAEB-UHFFFAOYSA-N
BMGC_DG12797,BMG_DG170290,C1=CN=CC(=C1N)N,c1(c(N)ccnc1)N,"InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)",OYTKINVCDFNREN-UHFFFAOYSA-N
BMGC_DG12798,BMG_DG170302,,c1c(c2c(nc1)[nH]cc2)NC(=O)[C@@H]3CC[C@](CC3)([C@H](N)C)[H],,DWTNLZZEPSCAIH-IJLUTSLNSA-N
BMGC_DG12799,BMG_DG170303,,[nH]1cc(/C=C/c2nc3ccccc3cc2)c4c1cccc4,,XBSNGDJJHAYDLC-ZRDIBKRKSA-N
BMGC_DG12800,BMG_DG170304,C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)O,c1(c(cc(cc1I)C[C@@H](C(=O)O)N)I)Oc2cc(I)c(cc2)O,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1",AUYYCJSJGJYCDS-LBPRGKRZSA-N
BMGC_DG12801,BMG_DG170314,C1=CN=CC=C1C(=O)O,c1(ccncc1)C(=O)O,"InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)",TWBYWOBDOCUKOW-UHFFFAOYSA-N
BMGC_DG12802,BMG_DG170317,,c12c(C[C@H](CC1)N(CCc3sccc3)CCC)cccc2O.Cl,,CEXBONHIOKGWNU-NTISSMGPSA-N
BMGC_DG12803,BMG_DG170318,CCCN(CCC1=CC=CS1)[C@H]2CCC3=C(C2)C=CC=C3O,c12c(C[C@H](CC1)N(CCc3sccc3)CCC)cccc2O,"InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1",KFQYTPMOWPVWEJ-INIZCTEOSA-N
BMGC_DG12804,BMG_DG170326,CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CCN(C3)C4=NC=CC=N4)C(=N2)N5CCOC[C@@H]5C,,"InChI=1S/C25H30N8O2/c1-3-26-25(34)29-19-7-5-18(6-8-19)22-30-21-15-32(24-27-10-4-11-28-24)12-9-20(21)23(31-22)33-13-14-35-16-17(33)2/h4-8,10-11,17H,3,9,12-16H2,1-2H3,(H2,26,29,34)/t17-/m0/s1",WQBAZXIQANTUOY-KRWDZBQOSA-N
BMGC_DG12805,BMG_DG170327,CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CCN(C3)C4COC4)C(=N2)N5CCOC[C@@H]5C,N(C(=O)Nc1ccc(cc1)-c2nc3c(c(n2)N4CCOC[C@@H]4C)CCN(C3)C5COC5)CC,"InChI=1S/C24H32N6O3/c1-3-25-24(31)26-18-6-4-17(5-7-18)22-27-21-12-29(19-14-33-15-19)9-8-20(21)23(28-22)30-10-11-32-13-16(30)2/h4-7,16,19H,3,8-15H2,1-2H3,(H2,25,26,31)/t16-/m0/s1",RGJOJUGRHPQXGF-INIZCTEOSA-N
BMGC_DG12806,BMG_DG170330,,c1(ccc2c(c1)\C(\C(N2)=O)=C\c3cc(c(c(c3)Br)O)Br)I,,LMXYVLFTZRPNRV-KMKOMSMNSA-N
BMGC_DG12807,BMG_DG170334,CC(C)(C1=CC=CC=C1Cl)C2=NC(=CN2C3=CC=C(C=C3)C4=CC(=CC=C4)S(=O)(=O)C)C(C)(C)O,CC(C)(O)c1nc(n(c1)-c2ccc(cc2)-c3cc(ccc3)S(C)(=O)=O)C(C)(C)c4c(cccc4)Cl,"InChI=1S/C28H29ClN2O3S/c1-27(2,23-11-6-7-12-24(23)29)26-30-25(28(3,4)32)18-31(26)21-15-13-19(14-16-21)20-9-8-10-22(17-20)35(5,33)34/h6-18,32H,1-5H3",JLPURTXCSILYLW-UHFFFAOYSA-N
BMGC_DG12808,BMG_DG170369,C1CN2CCC1[C@@]3(C2)CN=C(O3)NC4=CC(=NC=N4)N5C=CN=C5,,"InChI=1S/C16H19N7O/c1-4-22-5-2-12(1)16(9-22)8-18-15(24-16)21-13-7-14(20-10-19-13)23-6-3-17-11-23/h3,6-7,10-12H,1-2,4-5,8-9H2,(H,18,19,20,21)/t16-/m0/s1",RLXBHTUZCPORKT-INIZCTEOSA-N
BMGC_DG12809,BMG_DG170371,CC(CC1=CC=CC=C1)NN,N(N)C(Cc1ccccc1)C,"InChI=1S/C9H14N2/c1-8(11-10)7-9-5-3-2-4-6-9/h2-6,8,11H,7,10H2,1H3",VXTWEDPZMSVFEF-UHFFFAOYSA-N
BMGC_DG12810,BMG_DG170387,CN1C(=O)N(C(=O)[C@@]1(CO)C2=CC=CC=C2)C3=CC(=C(C=C3)C#N)C(F)(F)F,C(c1c(cc(cc1)N2C([C@](N(C2=O)C)(c3ccccc3)CO)=O)C(F)(F)F)#N,"InChI=1S/C19H14F3N3O3/c1-24-17(28)25(14-8-7-12(10-23)15(9-14)19(20,21)22)16(27)18(24,11-26)13-5-3-2-4-6-13/h2-9,26H,11H2,1H3/t18-/m1/s1",VAJGULUVTFDTAS-GOSISDBHSA-N
BMGC_DG12811,BMG_DG170397,CC1=CC(=CC=C1)N=NC2=CC=C(C=C2)N(C)C,c1(ccc(N(C)C)cc1)/N=N/c2cc(ccc2)C,"InChI=1S/C15H17N3/c1-12-5-4-6-14(11-12)17-16-13-7-9-15(10-8-13)18(2)3/h4-11H,1-3H3",LVTFSVIRYMXRSR-WUKNDPDISA-N;LVTFSVIRYMXRSR-UHFFFAOYSA-N
BMGC_DG12812,BMG_DG170404,CC(=O)N1CCC(CC1)C2=NC=CN=C2OC3=CC=C(C=C3)C(=O)C4=NC5=CC=CC=C5N4,C(C)(=O)N1CCC(CC1)c2c(nccn2)Oc3ccc(cc3)C(=O)c4nc5c([nH]4)cccc5,"InChI=1S/C25H23N5O3/c1-16(31)30-14-10-17(11-15-30)22-25(27-13-12-26-22)33-19-8-6-18(7-9-19)23(32)24-28-20-4-2-3-5-21(20)29-24/h2-9,12-13,17H,10-11,14-15H2,1H3,(H,28,29)",ZNPDAYJZIRPRFQ-UHFFFAOYSA-N
BMGC_DG12813,BMG_DG170407,CC(C)OP(=O)(OC(C)C)F,P(=O)(OC(C)C)(OC(C)C)F,"InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3",MUCZHBLJLSDCSD-UHFFFAOYSA-N
BMGC_DG12814,BMG_DG170409,,c1ccc2c(c1)c(nc(n2)-c3cc(ccc3)OC(C)=O)Nc4ccc5c(c4)cn[nH]5,,XJIPWWGXFAAPFY-UHFFFAOYSA-N
BMGC_DG12815,BMG_DG170412,,c1ccc2c(c1)c(nc(n2)-c3cc(ccc3)OCC(=O)N)Nc4ccc5c(c4)cn[nH]5,,LCCUVYBNWKCWDG-UHFFFAOYSA-N
BMGC_DG12816,BMG_DG170414,CCCN1C[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]([C@](C[C@H]1C)(C)O)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)CC)(C)O)O)C,O([C@]1([C@H](O)[C@@H](N(C)C)C[C@H](O1)C)[H])[C@@H]2[C@@H](C)[C@H](O[C@]3(C[C@](OC)(C)[C@H]([C@@H](O3)C)O)[H])[C@@H](C)C(=O)O[C@H](CC)[C@@]([C@@H]([C@H](CN([C@@H](C[C@@]2(C)O)C)CCC)C)O)(C)O,"InChI=1S/C40H76N2O12/c1-15-17-42-21-22(3)33(44)40(11,48)29(16-2)52-36(46)26(7)32(53-30-20-39(10,49-14)34(45)27(8)51-30)25(6)35(38(9,47)19-23(42)4)54-37-31(43)28(41(12)13)18-24(5)50-37/h22-35,37,43-45,47-48H,15-21H2,1-14H3/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32-,33+,34-,35+,37-,38+,39+,40+/m0/s1",VWAMTBXLZPEDQO-UZSBJOJWSA-N
BMGC_DG12817,BMG_DG170423,C(=NC(=N)N)(N)N,C(NC(N)=N)(N)=N,"InChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7)",XNCOSPRUTUOJCJ-UHFFFAOYSA-N
BMGC_DG12818,BMG_DG170424,CC1=CC(=CC(=C1C(=O)N[C@@H](C)C(=O)O)C)C2=CC(=CC=C2)N[C@H](C)C3=CC(=C(C=C3)Cl)C,,"InChI=1S/C27H29ClN2O3/c1-15-11-20(9-10-24(15)28)18(4)29-23-8-6-7-21(14-23)22-12-16(2)25(17(3)13-22)26(31)30-19(5)27(32)33/h6-14,18-19,29H,1-5H3,(H,30,31)(H,32,33)/t18-,19+/m1/s1",KYHUARFFBDLROH-MOPGFXCFSA-N
BMGC_DG12819,BMG_DG170425,CNCC1=CC(=NC=N1)OC2=CC3=C(C=C2)N(C=C3)C(=O)NC4=NN(C(=C4)C(F)(F)F)C,C(Nc1cc(n(n1)C)C(F)(F)F)(=O)n2c3c(cc2)cc(cc3)Oc4cc(CNC)ncn4,"InChI=1S/C20H18F3N7O2/c1-24-10-13-8-18(26-11-25-13)32-14-3-4-15-12(7-14)5-6-30(15)19(31)27-17-9-16(20(21,22)23)29(2)28-17/h3-9,11,24H,10H2,1-2H3,(H,27,28,31)",XPIHPLVWOUDMPF-UHFFFAOYSA-N
BMGC_DG12820,BMG_DG170428,C(C(C(=O)O)N)S,C(C(N)CS)(O)=O,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)",XUJNEKJLAYXESH-UHFFFAOYSA-N
BMGC_DG12821,BMG_DG170431,C1C/C(=C\Br)/OC(=O)C1C2=CC=CC3=CC=CC=C32,,"InChI=1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+",BYUCSFWXCMTYOI-ZRDIBKRKSA-N
BMGC_DG12822,BMG_DG170436,C(CSSCCN)N.Cl.Cl,S(SCCN)CCN.Cl.Cl,InChI=1S/C4H12N2S2.2ClH/c5-1-3-7-8-4-2-6;;/h1-6H2;2*1H,YUFRRMZSSPQMOS-UHFFFAOYSA-N
BMGC_DG12823,BMG_DG170439,,[C@@H](Cc1ccccc1)(NC([C@@H](CCN2CCOCC2)NC(N(Cc3nc(C(C)C)sc3)C)=O)=O)CC[C@H](Cc4ccccc4)NC(OCc5cncs5)=O,,ZCIGNRJZKPOIKD-KIGLDFBWSA-N
BMGC_DG12824,BMG_DG170443,CCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)/C=C(\C#N)/C(=O)N,c1(cc(/C=C(/C(=O)N)\C#N)cc(c1O)CSc2ccccc2)OCC,"InChI=1S/C19H18N2O3S/c1-2-24-17-10-13(8-14(11-20)19(21)23)9-15(18(17)22)12-25-16-6-4-3-5-7-16/h3-10,22H,2,12H2,1H3,(H2,21,23)/b14-8+",YKLMGKWXBLSKPK-RIYZIHGNSA-N
BMGC_DG12825,BMG_DG170450,,C(c1c(cc(cc1)-c2cnc3n(n2)c(cn3)Cc4cc5cccnc5cc4)F)(=O)N,,ZSOSTTWEQBUFFE-UHFFFAOYSA-N
BMGC_DG12826,BMG_DG170451,CC[C@](C)(C(=O)NCC(F)(F)F)NC1=NC(=NC=C1)C2=CNC3=C2C=CC=N3,C([C@@](CC)(Nc1nc(ncc1)-c2c[nH]c3c2cccn3)C)(=O)NCC(F)(F)F,"InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1",ASUGUQWIHMTFJL-QGZVFWFLSA-N
BMGC_DG12827,BMG_DG170456,C(Cl)(Cl)(Cl)Cl,C(Cl)(Cl)(Cl)Cl,"InChI=1S/CCl4/c2-1(3,4)5",VZGDMQKNWNREIO-UHFFFAOYSA-N
BMGC_DG12828,BMG_DG170464,C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)OC2=O)C)O3,[C@@]12([C@](C(=O)OC1=O)([C@@H]3O[C@H]2CC3)C)C,"InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-",DHZBEENLJMYSHQ-XCVPVQRUSA-N
BMGC_DG12829,BMG_DG170472,,c1(c(c(c(cc1O)CCC)C(=O)O)O)[C@H]2[C@H](C(=C)C)CCC(=C2)C,,CZXWOKHVLNYAHI-LSDHHAIUSA-N
BMGC_DG12830,BMG_DG170482,,c1(c(cc(cc1O)CCCC)O)[C@H]2[C@H](C(=C)C)CCC(=C2)C,,WBRXESQKGXYDOL-DLBZAZTESA-N
BMGC_DG12831,BMG_DG170483,,c12c(cc(c(c1O)C(=O)O)CCC)OC([C@]3([C@]2(C=C(CC3)C)[H])[H])(C)C,,IQSYWEWTWDEVNO-ZIAGYGMSSA-N
BMGC_DG12832,BMG_DG170501,CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N,Nc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c3onc(-c4ccc(CNC)cc4)c3,"InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)",JZCWLJDSIRUGIN-UHFFFAOYSA-N
BMGC_DG12833,BMG_DG170502,C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6,c12c(nc(cn1ccn2)-c3ccc4cn[nH]c4c3)Nc5ccc(cc5)N6CCOCC6,"InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)",XSMSNFMDVXXHGJ-UHFFFAOYSA-N
BMGC_DG12834,BMG_DG170508,,O=C1CCC(O)c2c(cccc21)O,,RSPQGKRRFSZVPZ-UHFFFAOYSA-N
BMGC_DG12835,BMG_DG170516,C(C(C(=O)O)N)SSCC(C(=O)O)N,,"InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)",LEVWYRKDKASIDU-UHFFFAOYSA-N
BMGC_DG12836,BMG_DG170517,C[C@@H](C(=O)O)N,C[C@@H](C(=O)O)N,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1",QNAYBMKLOCPYGJ-REOHCLBHSA-N
BMGC_DG12837,BMG_DG170519,,Nc1[nH]c(=O)[nH]c(=O)c1Cl,,SPEJHKMQDKKCTG-UHFFFAOYSA-N
BMGC_DG12838,BMG_DG170523,CCC1=C[C@@H]2[C@H](C1)C[C@@]2(CC(=O)O)CN,C(C[C@@]1([C@@]2(C=C(C[C@@]2(C1)[H])CC)[H])CN)(=O)O,"InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1",FTBQORVNHOIASH-CKYFFXLPSA-N
BMGC_DG12839,BMG_DG170524,C([C@@H](C(=O)O)N)O,C([C@@H](N)CO)(=O)O,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1",MTCFGRXMJLQNBG-REOHCLBHSA-N
BMGC_DG12840,BMG_DG170533,,,,
BMGC_DG12841,BMG_DG170537,CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC1)[H])(CCC(=O)C4)C)[H])(CC[C@@H]2C(COC(=O)C)=O)[H])C,"InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1",VPGRYOFKCNULNK-ACXQXYJUSA-N
BMGC_DG12842,BMG_DG170543,COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3CC4CCN3C[C@@H]4C=C)O,,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19+,20-/m0/s1",LOUPRKONTZGTKE-NBGVHYBESA-N
BMGC_DG12843,BMG_DG170550,CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CP(=O)(O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)N4CC[C@@H](C4)OC,N1(CCN(CC1)C([C@H](CP(=O)(O)O)NC(=O)c2nc(nc(c2)N3C[C@H](CC3)OC)-c4ccccc4)=O)C(=O)OCCCC,"InChI=1S/C28H39N6O8P/c1-3-4-16-42-28(37)33-14-12-32(13-15-33)27(36)23(19-43(38,39)40)30-26(35)22-17-24(34-11-10-21(18-34)41-2)31-25(29-22)20-8-6-5-7-9-20/h5-9,17,21,23H,3-4,10-16,18-19H2,1-2H3,(H,30,35)(H2,38,39,40)/t21-,23-/m0/s1",FYXHWMQPCJOJCH-GMAHTHKFSA-N
BMGC_DG12844,BMG_DG170551,CC1=CC(=CC(=N1)NC(=O)[C@H]2CCC(=O)N2C3CCN(CC3)CC4=CC(=C(C=C4)Cl)C)C(=O)N(C)C,c1(cc(cc(n1)C)C(=O)N(C)C)NC(=O)[C@@H]2N(C(CC2)=O)C3CCN(CC3)Cc4cc(c(cc4)Cl)C,"InChI=1S/C27H34ClN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1",DWKNOLCXIFYNFV-HSZRJFAPSA-N
BMGC_DG12845,BMG_DG170554,CN1C=C(C=N1)C2=CC(=C(C=C2)S(=O)(=O)[C@@H]3C[C@H](N(C3)C(=O)C4(CC4)C(F)(F)F)C(=O)NC5(CC5)C#N)C(F)(F)F,C(N1C[C@H](S(c2ccc(-c3cn(C)nc3)cc2C(F)(F)F)(=O)=O)C[C@H]1C(=O)NC4(CC4)C#N)(C5(CC5)C(F)(F)F)=O,"InChI=1S/C25H23F6N5O4S/c1-35-11-15(10-33-35)14-2-3-19(17(8-14)24(26,27)28)41(39,40)16-9-18(20(37)34-22(13-32)4-5-22)36(12-16)21(38)23(6-7-23)25(29,30)31/h2-3,8,10-11,16,18H,4-7,9,12H2,1H3,(H,34,37)/t16-,18+/m1/s1",KXAAIORSMACJSI-AEFFLSMTSA-N
BMGC_DG12846,BMG_DG170568,CC1=C(C=CC2=C1COC2=O)[C@H](CN3CCN(CC3)C[C@@H](C4=C(C5=C(C=C4)C(=O)OC5)C)O)O,Cc1c(ccc2C(OCc21)=O)[C@@H](O)CN3CCN(C[C@@H](c4ccc5c(c4C)COC5=O)O)CC3,"InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1",OCKGFTQIICXDQW-ZEQRLZLVSA-N
BMGC_DG12847,BMG_DG170569,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,n1([C@H]2[C@H](O)[C@H](O)[C@@H](COP(OP(OP(=O)(O)O)(=O)O)(=O)O)O2)c3c(c(N)ncn3)nc1,"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",ZKHQWZAMYRWXGA-KQYNXXCUSA-N
BMGC_DG12848,BMG_DG170575,C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],[N+](c1ccc([C@H]([C@H](NC(C(Cl)Cl)=O)CO)O)cc1)([O-])=O,"InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1",WIIZWVCIJKGZOK-RKDXNWHRSA-N
BMGC_DG12849,BMG_DG170583,C([C@@H](C(=O)O)N)C(=O)O,C(C(=O)O)[C@@H](C(=O)O)N,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1",CKLJMWTZIZZHCS-REOHCLBHSA-N
BMGC_DG12850,BMG_DG170585,C1COCCN1C2=NC=NC(=C2)N3C(=O)C(=CN3)N4C=CN=N4,[nH]1n(c(c(c1)-n2nncc2)=O)-c3ncnc(c3)N4CCOCC4,"InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2",IJMBOKOTALXLKS-UHFFFAOYSA-N
BMGC_DG12851,BMG_DG170586,,c1(ccc(cn1)-c2cc3c(cc2)OCCN(C3)C(c4c(c(c(cc4)S(=O)(C)=O)F)C)=O)N,,LNFBAYSBVQBKFR-UHFFFAOYSA-N
BMGC_DG12852,BMG_DG170588,C(CC(=O)N)[C@@H](C(=O)O)N,C(=O)([C@H](CCC(=O)N)N)O,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",ZDXPYRJPNDTMRX-VKHMYHEASA-N
BMGC_DG12853,BMG_DG170591,C(CCN)C[C@@H](C(=O)O)N,C(=O)([C@@H](N)CCCCN)O,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1",KDXKERNSBIXSRK-YFKPBYRVSA-N
BMGC_DG12854,BMG_DG170596,C1CC1CN2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5,C1N(CC2CC2)CCN(C(=O)c3ccc(NS(c4c5ncccc5ccc4)(=O)=O)cc3)C1,"InChI=1S/C24H26N4O3S/c29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22/h1-5,8-12,18,26H,6-7,13-17H2",XAYGBKHKBBXDAK-UHFFFAOYSA-N
BMGC_DG12855,BMG_DG170617,CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC2=CC=CC(=C2)[N+](C)(C)C,[N+](c1cc(OC(N(CCCCCCCCCCN(C(Oc2cc([N+](C)(C)C)ccc2)=O)C)C)=O)ccc1)(C)(C)C,"InChI=1S/C32H52N4O4/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8/h17-22,25-26H,9-16,23-24H2,1-8H3/q+2",RWZVPVOZTJJMNU-UHFFFAOYSA-N
BMGC_DG12856,BMG_DG170625,CC(=O)O.CC(=O)O.C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl,C(NC(=N)NCCCCCCNC(NC(Nc1ccc(cc1)Cl)=N)=N)(Nc2ccc(cc2)Cl)=N.CC(O)=O.CC(O)=O,"InChI=1S/C22H30Cl2N10.2C2H4O2/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*1-2(3)4/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H3,(H,3,4)",WDRFFJWBUDTUCA-UHFFFAOYSA-N
BMGC_DG12857,BMG_DG170642,C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N,n12c(cnc1)CCCC2c3ccc(cc3)C#N,"InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2",CLPFFLWZZBQMAO-UHFFFAOYSA-N
BMGC_DG12858,BMG_DG170651,CCC(C(=O)N)N1CCCC1=O,C1CN(C(CC)C(=O)N)C(=O)C1,"InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)",HPHUVLMMVZITSG-UHFFFAOYSA-N
BMGC_DG12859,BMG_DG170653,C=CCN=C=S,C(=S)=NCC=C,"InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2",ZOJBYZNEUISWFT-UHFFFAOYSA-N
BMGC_DG12860,BMG_DG170677,,c1ccc(cc1)\C=C\CN2CCN(CC2)CCOC(c3ccc(cc3)F)c4ccc(cc4)F,,DASHZBBQOARCMQ-QPJJXVBHSA-N
BMGC_DG12861,BMG_DG170684,,Cc1c(C(Nc2c(C)ccc(C(NC3CC3)=O)c2)=O)cnn1-c4c(C(F)(F)F)cccn4,,ZZZJRULMCGMYRH-UHFFFAOYSA-N
BMGC_DG12862,BMG_DG170685,[C-]#N,[C-]#N,InChI=1S/CN/c1-2/q-1,XFXPMWWXUTWYJX-UHFFFAOYSA-N
BMGC_DG12863,BMG_DG170693,CN(C(=O)CCC1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)O,n1(c(cc(n1)CCC(N(O)C)=O)-c2ccc(cc2)Cl)-c3ccc(cc3)OC,"InChI=1S/C20H20ClN3O3/c1-23(26)20(25)12-7-16-13-19(14-3-5-15(21)6-4-14)24(22-16)17-8-10-18(27-2)11-9-17/h3-6,8-11,13,26H,7,12H2,1-2H3",XYKWNRUXCOIMFZ-UHFFFAOYSA-N
BMGC_DG12864,BMG_DG170694,CC(C)C1=NOC(=C1)CNC2=NC(=CC(=N2)N3CCN(CC3)C)NC4=NNC(=C4)C5CC5,n1[nH]c(cc1Nc2nc(nc(N3CCN(CC3)C)c2)NCc4onc(C(C)C)c4)C5CC5,"InChI=1S/C22H31N9O/c1-14(2)17-10-16(32-29-17)13-23-22-25-19(24-20-11-18(27-28-20)15-4-5-15)12-21(26-22)31-8-6-30(3)7-9-31/h10-12,14-15H,4-9,13H2,1-3H3,(H3,23,24,25,26,27,28)",ALKJNCZNEOTEMP-UHFFFAOYSA-N
BMGC_DG12865,BMG_DG170699,CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O,C(=O)(CCc1ccc(OCC(CNC(C)C)O)cc1)OC,"InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3",AQNDDEOPVVGCPG-UHFFFAOYSA-N
BMGC_DG12866,BMG_DG170701,CC(C)(C(Cl)(Cl)Cl)O,C(C(O)(C)C)(Cl)(Cl)Cl,"InChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3",OSASVXMJTNOKOY-UHFFFAOYSA-N
BMGC_DG12867,BMG_DG170715,CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O,,"InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1",OGWKCGZFUXNPDA-XQKSVPLYSA-N
BMGC_DG12868,BMG_DG170726,C(CS(=O)(=O)O)S,S(O)(CCS)(=O)=O,"InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)",ZNEWHQLOPFWXOF-UHFFFAOYSA-N
BMGC_DG12869,BMG_DG170737,C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C,[C@]12([C@@](N(C)c3c1cc(OC(=O)NC)cc3)(N(C)CC2)[H])C,"InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1",PIJVFDBKTWXHHD-HIFRSBDPSA-N
BMGC_DG12870,BMG_DG170741,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O,[C@@H]([C@H](O)CO)([C@H](O)C(=O)CO)O;[C@H]([C@@H](C(CO)=O)O)([C@@H](CO)O)O,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1",BJHIKXHVCXFQLS-UYFOZJQFSA-N
BMGC_DG12871,BMG_DG170752,,C(C)n1c(nc2c1ccc(C)c2)-c3ccccc3,,LAPXJMHYUYXOQN-UHFFFAOYSA-N
BMGC_DG12872,BMG_DG170757,CCCN[C@@H]1CCC2=C(C1)SC(=N2)N,[C@H]1(CCc2c(C1)sc(n2)N)NCCC,"InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1",FASDKYOPVNHBLU-SSDOTTSWSA-N
BMGC_DG12873,BMG_DG170758,NS(=O)(=O)O,S(=O)(=O)(N)O,"InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)",IIACRCGMVDHOTQ-UHFFFAOYSA-N
BMGC_DG12874,BMG_DG170766,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O,[C@]1([C@H]([C@H](O)[C@H](O1)CO)O)(O[C@@H]2[C@@H]([C@@H](O)[C@@H]([C@H](O2)CO)O)O)CO,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",CZMRCDWAGMRECN-UGDNZRGBSA-N
BMGC_DG12875,BMG_DG170784,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O,[C@]12([C@]([C@@]3(CCc4c([C@]3(CC1)[H])ccc(O)c4)[H])(CC[C@]2(C#C)O)[H])C,"InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1",BFPYWIDHMRZLRN-SLHNCBLASA-N
BMGC_DG12876,BMG_DG170800,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC1)[H])(CCC(=O)C4)C)[H])(CC[C@@H]2C(=O)C)[H])C,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1",RJKFOVLPORLFTN-LEKSSAKUSA-N
BMGC_DG12877,BMG_DG170802,CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,[C@]12(C(=CC(CC1)=O)CC[C@]3([C@@]4(CC[C@@H]([C@]4(CC[C@]23[H])C)OC(=O)CC)[H])[H])C,"InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1",PDMMFKSKQVNJMI-BLQWBTBKSA-N
BMGC_DG12878,BMG_DG170813,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,[C@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC1)[H])(CC[C@H](O)C4)C)[H])(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H])C,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",HVYWMOMLDIMFJA-DPAQBDIFSA-N
BMGC_DG12879,BMG_DG170821,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl,c1([N+]([O-])=O)cc([N+]([O-])=O)ccc1Cl,InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,VYZAHLCBVHPDDF-UHFFFAOYSA-N
BMGC_DG12880,BMG_DG170822,CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC,c12c(O)ccc(C[C@@H]3c4c(Oc5ccc(cc5)C[C@H]6c7c(CCN6C)cc(OC)c(O1)c7)c(O)c(OC)cc4CC[N+]3(C)C)c2,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1",JFJZZMVDLULRGK-URLMMPGGSA-O
BMGC_DG12881,BMG_DG170826,CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C,c12c(c(c3ccccc3c1C)C)ccc4c2cccc4,"InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3",ARSRBNBHOADGJU-UHFFFAOYSA-N
BMGC_DG12882,BMG_DG170832,CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F,n1(c2c(cc(c(N3CC(C)NCC3)c2)F)c(c(c1)C(=O)O)=O)-c4c(cc(cc4)F)F,"InChI=1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30)",QKDHBVNJCZBTMR-UHFFFAOYSA-N
BMGC_DG12883,BMG_DG170835,,C(N[C@H](C(=O)O)Cc1ccccc1)([C@H]2CC[C@@H](CC2)C(C)C)=O,,OELFLUMRDSZNSF-ULQDDVLXSA-N
BMGC_DG12884,BMG_DG170836,,,,
BMGC_DG12885,BMG_DG170844,CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O,[C@]12(c3c(cccc3CCN1C)-c4c(C2)ccc(O)c4O)[H],"InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1",VMWNQDUVQKEIOC-CYBMUJFWSA-N
BMGC_DG12886,BMG_DG170847,,,,
BMGC_DG12887,BMG_DG170849,,,,
BMGC_DG12888,BMG_DG170851,C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)N)F)C(=O)O,n1(c2c(cc(c(c2Cl)N3CC(N)CC3)F)c(c(c1)C(=O)O)=O)C4CC4,"InChI=1S/C17H17ClFN3O3/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9/h5,7-9H,1-4,6,20H2,(H,24,25)",QGPKADBNRMWEQR-UHFFFAOYSA-N
BMGC_DG12889,BMG_DG170863,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C,c1(c(c(C)n(n1-c2ccccc2)C)N(C)C)=O,"InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3",RMMXTBMQSGEXHJ-UHFFFAOYSA-N
BMGC_DG12890,BMG_DG170868,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C,[C@]12(C(=CC(CC1)=O)CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)(O)C)[H])[H])C,"InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1",GCKMFJBGXUYNAG-HLXURNFRSA-N
BMGC_DG12891,BMG_DG170871,C[C@@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)CC1=O)C,[C@]12([C@@]3([C@@]([C@@]4(CC[C@@H]([C@]4(CC3)C)O)[H])([H])CC[C@]1(CC(=O)[C@@H](C2)C)[H])[H])C,"InChI=1S/C20H32O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-16,18,22H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,18+,19+,20+/m1/s1",IKXILDNPCZPPRV-RFMGOVQKSA-N
BMGC_DG12892,BMG_DG170881,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,[C@]12(C(=CC(CC1)=O)CC[C@]3([C@@]4(CC[C@@H]([C@]4(CC[C@]23[H])C)O)[H])[H])C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1",MUMGGOZAMZWBJJ-DYKIIFRCSA-N
BMGC_DG12893,BMG_DG170885,,Oc1cc(ccc1)CNC(=O)Nc2scc(n2)-c3ccncc3,,GDVRVPIXWXOKQO-UHFFFAOYSA-N
BMGC_DG12894,BMG_DG170886,CC1=C(C(=NO1)C2=CC=CC=C2)C3=NC(=NC=C3)NC4CCC(CC4)O,,"InChI=1S/C20H22N4O2/c1-13-18(19(24-26-13)14-5-3-2-4-6-14)17-11-12-21-20(23-17)22-15-7-9-16(25)10-8-15/h2-6,11-12,15-16,25H,7-10H2,1H3,(H,21,22,23)",HOQWCELNTHTYAP-UHFFFAOYSA-N
BMGC_DG12895,BMG_DG170889,C1=CC(=C(C=C1CCC(=O)NCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)CN(CCN(CC2=C(C=CC(=C2)CCC(=O)O)O)CC(=O)O)CC(=O)O)O,C(N(CCN(Cc1cc(CCC(O)=O)ccc1O)CC(O)=O)CC(O)=O)c2cc(CCC(NCCCCCC(NCCCC[C@H](NC(N[C@@H](CCC(O)=O)C(O)=O)=O)C(O)=O)=O)=O)ccc2O,"InChI=1S/C44H62N6O17/c51-34-13-8-28(22-30(34)24-49(26-40(59)60)20-21-50(27-41(61)62)25-31-23-29(9-14-35(31)52)11-16-38(55)56)10-15-37(54)46-18-4-1-2-7-36(53)45-19-5-3-6-32(42(63)64)47-44(67)48-33(43(65)66)12-17-39(57)58/h8-9,13-14,22-23,32-33,51-52H,1-7,10-12,15-21,24-27H2,(H,45,53)(H,46,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,47,48,67)/t32-,33-/m0/s1",QJUIUFGOTBRHKP-LQJZCPKCSA-N
BMGC_DG12896,BMG_DG170906,CC1=CC2=C(C=C1C)N(C=N2)C3[C@@H]([C@@H](C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/C(C8(C)C)CCC(=O)N)/C(C7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-][C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3],,"InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+3/p-2/t31?,34?,35?,36?,37?,41?,52-,53-,56?,57?,59?,60?,61?,62?;4-,6-,7-,10?;/m11./s1",OAJLVMGLJZXSGX-WFQGXPBESA-L
BMGC_DG12897,BMG_DG170917,COC1=C(C=C(C=C1)C2=C(N=CO2)C(=O)NCCCN3C=NC=N3)Cl,,"InChI=1S/C16H16ClN5O3/c1-24-13-4-3-11(7-12(13)17)15-14(20-10-25-15)16(23)19-5-2-6-22-9-18-8-21-22/h3-4,7-10H,2,5-6H2,1H3,(H,19,23)",RQFYFNAGNBUGFC-UHFFFAOYSA-N
BMGC_DG12898,BMG_DG170918,C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCN5CCNC5=O,n1(cc(C2CCN(CC2)CCN3C(NCC3)=O)c4c1ccc(Cl)c4)-c5ccc(cc5)F,"InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)",GZKLJWGUPQBVJQ-UHFFFAOYSA-N
BMGC_DG12899,BMG_DG170923,CCOC1=NC=C(C2=C1[C@@H](C(=C(N2)C)C(=O)N)C3=C(C=C(C=C3)C#N)OC)C,N1C(=C([C@H](c2c(ncc(c12)C)OCC)c3c(cc(cc3)C#N)OC)C(=O)N)C,"InChI=1S/C21H22N4O3/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21/h6-8,10,17,25H,5H2,1-4H3,(H2,23,26)/t17-/m1/s1",BTBHLEZXCOBLCY-QGZVFWFLSA-N
BMGC_DG12900,BMG_DG170926,C1CC(C1)N2CCC(CC2)OC3=CC=C(C=C3)NC(=O)CN4CCOCC4.Cl.Cl,Cl.Cl.c1cc(ccc1OC2CCN(CC2)C3CCC3)NC(CN4CCOCC4)=O,"InChI=1S/C21H31N3O3.2ClH/c25-21(16-23-12-14-26-15-13-23)22-17-4-6-19(7-5-17)27-20-8-10-24(11-9-20)18-2-1-3-18;;/h4-7,18,20H,1-3,8-16H2,(H,22,25);2*1H",LCPQCTBHZPMVFX-UHFFFAOYSA-N
BMGC_DG12901,BMG_DG170927,C1CC(C1)N2CCC(CC2)OC3=CC=C(C=C3)NC(=O)CN4CCOCC4,c1cc(ccc1OC2CCN(CC2)C3CCC3)NC(CN4CCOCC4)=O,"InChI=1S/C21H31N3O3/c25-21(16-23-12-14-26-15-13-23)22-17-4-6-19(7-5-17)27-20-8-10-24(11-9-20)18-2-1-3-18/h4-7,18,20H,1-3,8-16H2,(H,22,25)",LNXDUSQEXVQFGP-UHFFFAOYSA-N
BMGC_DG12902,BMG_DG170928,CCO[C@@H](CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=C(C=C3)SC)C)C(=O)O,C([C@H](Cc1ccc(cc1)OCCn2c(ccc2-c3ccc(cc3)SC)C)OCC)(=O)O,"InChI=1S/C25H29NO4S/c1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20/h5-14,24H,4,15-17H2,1-3H3,(H,27,28)/t24-/m0/s1",MRWFZSLZNUJVQW-DEOSSOPVSA-N
BMGC_DG12903,BMG_DG170929,CCC[C@@H](C1=CC=C(C=C1)C(=O)NCCC(=O)O)OC2=CC(=C(C(=C2)C)N3C=C(C=N3)C(F)(F)F)C,C(CCNC(c1ccc(cc1)[C@H](CCC)Oc2cc(c(c(c2)C)-n3ncc(c3)C(F)(F)F)C)=O)(=O)O,"InChI=1S/C26H28F3N3O4/c1-4-5-22(18-6-8-19(9-7-18)25(35)30-11-10-23(33)34)36-21-12-16(2)24(17(3)13-21)32-15-20(14-31-32)26(27,28)29/h6-9,12-15,22H,4-5,10-11H2,1-3H3,(H,30,35)(H,33,34)/t22-/m0/s1",IBDYYOQKQCCSDP-QFIPXVFZSA-N
BMGC_DG12904,BMG_DG170932,CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)N2C=C(C3=C2C=CC(=N3)N(C)C4CCN(CC4)CC)C5=CN=CN=C5)F,CCCS(=O)(=O)Nc1ccc(F)c(-n2cc(c3c2ccc(n3)N(C)C4CCN(CC)CC4)-c5cncnc5)c1F,"InChI=1S/C28H33F2N7O2S/c1-4-14-40(38,39)34-23-7-6-22(29)28(26(23)30)37-17-21(19-15-31-18-32-16-19)27-24(37)8-9-25(33-27)35(3)20-10-12-36(5-2)13-11-20/h6-9,15-18,20,34H,4-5,10-14H2,1-3H3",AEJACXAFHXBVHF-UHFFFAOYSA-N
BMGC_DG12905,BMG_DG170943,CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)[N+](C)(C)C,C(C(C)[N+](C)(C)C)N1c2c(cccc2)Sc3c1cccc3,"InChI=1S/C18H23N2S/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19/h5-12,14H,13H2,1-4H3/q+1",CDXCCYNINPIWGE-UHFFFAOYSA-N
BMGC_DG12906,BMG_DG170950,COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5,C12(c3cc(-c4cc5ccc(C(=O)O)cc5cc4)ccc3OC)CC6CC(C1)CC(C2)C6,"InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)",LZCDAPDGXCYOEH-UHFFFAOYSA-N
BMGC_DG12907,BMG_DG170952,CC(C)(C)[C@@H](CO)NC(=O)C1=NN(C2=C1C[C@H]3[C@@H]2C3)C4=NC=C[N+](=C4)[O-],[C@]12(c3c(C[C@@]1(C2)[H])c(nn3-c4ncc[n+](c4)[O-])C(N[C@H](CO)C(C)(C)C)=O)[H],"InChI=1S/C18H23N5O3/c1-18(2,3)13(9-24)20-17(25)15-12-7-10-6-11(10)16(12)23(21-15)14-8-22(26)5-4-19-14/h4-5,8,10-11,13,24H,6-7,9H2,1-3H3,(H,20,25)/t10-,11-,13+/m0/s1",ACSQLTBPYZSGBA-GMXVVIOVSA-N
BMGC_DG12908,BMG_DG170954,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)OCC(C)(C)O)F,Cn1c(c(c(n1-c2ccccc2)=O)C(=O)Nc3ccc(c(c3)F)Oc4c5c(ncc4)cc(cc5)OCC(C)(C)O)C,"InChI=1S/C31H29FN4O5/c1-19-28(30(38)36(35(19)4)21-8-6-5-7-9-21)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(11-12-23(25)26)40-18-31(2,3)39/h5-17,39H,18H2,1-4H3,(H,34,37)",VQYYQSZNRVQLIS-UHFFFAOYSA-N
BMGC_DG12909,BMG_DG170957,CC1=CC(=CC(=N1)C(=O)NC2=NC=C(C=C2)F)OC3=CN=CN=C3,c1(cc(cc(n1)C)Oc2cncnc2)C(=O)Nc3ccc(cn3)F,"InChI=1S/C16H12FN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)",RBAHIIPVJVMACF-UHFFFAOYSA-N
BMGC_DG12910,BMG_DG170958,C[N+]1(CCC2=CC(=C(C(=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOC(=O)CCC(=O)OCCC[N+]4(CCC5=CC(=C(C(=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)OC)C,,"InChI=1S/C56H78N2O16/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6/h29-34,39-40H,15-28H2,1-14H3/q+2",GBLRQXKSCRCLBZ-UHFFFAOYSA-N
BMGC_DG12911,BMG_DG170963,C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N,c12ncn(c1ncnc2N)CCOCP(=O)(O)O,"InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)",SUPKOOSCJHTBAH-UHFFFAOYSA-N
BMGC_DG12912,BMG_DG170965,CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC,,"InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3",MKJIEFSOBYUXJB-UHFFFAOYSA-N
BMGC_DG12913,BMG_DG170966,CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl,C(NC(C(N(CCCOC)CCCCC)=O)CCC(=O)O)(c1cc(Cl)c(cc1)Cl)=O,"InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)",QNQZBKQEIFTHFZ-UHFFFAOYSA-N
BMGC_DG12914,BMG_DG170967,,C(Cc1ccccn1)c2c3c(cc(Sc4c(C(NC)=O)cccc4)cc3)[nH]n2,,JPTQVDRPKXSDDN-UHFFFAOYSA-N
BMGC_DG12915,BMG_DG170968,,OC([C@@H]1C[C@@]2([H])[C@]([H])(CCCC2)N1C(=O)[C@H](N[C@H](C(OCC)=O)CCC)C)=O,,IPVQLZZIHOAWMC-YXMSTPNBSA-N
BMGC_DG12916,BMG_DG170974,CC1=CC(=NC=C1)COC2=CC=CC(=C2C3=CC4=C(CCNCC4)C=C3)OC,C1NCCc2c(C1)ccc(-c3c(cccc3OCc4cc(ccn4)C)OC)c2,"InChI=1S/C24H26N2O2/c1-17-8-13-26-21(14-17)16-28-23-5-3-4-22(27-2)24(23)20-7-6-18-9-11-25-12-10-19(18)15-20/h3-8,13-15,25H,9-12,16H2,1-2H3",KYANYGKXMNYFBX-UHFFFAOYSA-N
BMGC_DG12917,BMG_DG170979,C[C@H](C1=CC=C(C=C1)F)N(CC2=CC(=CC=C2)C(=O)O)C(=O)C3=CC4=CC=CC=C4N=C3,C(c1cc(ccc1)CN(C(=O)c2cnc3ccccc3c2)[C@H](C)c4ccc(cc4)F)(=O)O,"InChI=1S/C26H21FN2O3/c1-17(19-9-11-23(27)12-10-19)29(16-18-5-4-7-21(13-18)26(31)32)25(30)22-14-20-6-2-3-8-24(20)28-15-22/h2-15,17H,16H2,1H3,(H,31,32)/t17-/m1/s1",BXNMZRPTQFVRFA-QGZVFWFLSA-N
BMGC_DG12918,BMG_DG171015,[CH3-].CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3],,"InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;-1;+3/p-2",ZFLASALABLFSNM-UHFFFAOYSA-L
BMGC_DG12919,BMG_DG171037,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C,[C@@]12(C(C(=C)C[C@@]3([C@@]1(CC[C@@]4(C(=O)CC[C@@]34[H])C)[H])[H])=CC(C=C2)=O)C,"InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1",BFYIZQONLCFLEV-DAELLWKTSA-N
BMGC_DG12920,BMG_DG171044,CC(C)(C1=CSC(=N1)C2=CC=C(C=C2)F)NC(=O)O[C@@H]3CN4CCC3CC4,C(NC(O[C@H]1C2CCN(CC2)C1)=O)(C)(C)c3nc(-c4ccc(F)cc4)sc3,"InChI=1S/C20H24FN3O2S/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25)/t16-/m1/s1",YFHRCLAKZBDRHN-MRXNPFEDSA-N
BMGC_DG12921,BMG_DG171051,,N(c1c2c(cc(OCCCN3CCN(C)CC3)c(OC)c2)ncc1C#N)c4cc(Cl)c(OC)c(Cl)c4,,YCLIWTLPTXAGPQ-UHFFFAOYSA-N
BMGC_DG12922,BMG_DG171052,CC1CCC(CC1)N2C3=C(C=CN=C3)C4=CN=C(N=C42)NC5=NC6=C(CN(CC6)C(=O)CO)C=C5,n1c(ccc2c1CCN(C2)C(CO)=O)Nc3ncc4c(n3)n(c5c4ccnc5)[C@H]6CC[C@@H](CC6)C,"InChI=1S/C26H29N7O2/c1-16-2-5-18(6-3-16)33-22-13-27-10-8-19(22)20-12-28-26(31-25(20)33)30-23-7-4-17-14-32(24(35)15-34)11-9-21(17)29-23/h4,7-8,10,12-13,16,18,34H,2-3,5-6,9,11,14-15H2,1H3,(H,28,29,30,31)",BBUVDDPUURMFOX-SAABIXHNSA-N;BBUVDDPUURMFOX-UHFFFAOYSA-N
BMGC_DG12923,BMG_DG171053,,c1(ccc(cc1)\C(=C(/c2ccccc2)\CC)\c3ccc(cc3)OCCN)O,,YCQBLTPGQSYLHD-WCWDXBQESA-N
BMGC_DG12924,BMG_DG171056,COC1=C(C(=NC(=C1Cl)OC)C(Cl)(Cl)Cl)Cl,c1(nc(OC)c(c(c1Cl)OC)Cl)C(Cl)(Cl)Cl,"InChI=1S/C8H6Cl5NO2/c1-15-5-3(9)6(8(11,12)13)14-7(16-2)4(5)10/h1-2H3",DZVPGIORVGSQMC-UHFFFAOYSA-N
BMGC_DG12925,BMG_DG171059,,,,
BMGC_DG12926,BMG_DG171068,,Cc1ccc(S(=O)(=O)N2CC(=O)c3ccccc3-c4ccccc24)cc1,,KCIOJLFKVQHRPU-UHFFFAOYSA-N
BMGC_DG12927,BMG_DG171073,,,,
BMGC_DG12928,BMG_DG171080,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)COP(OP(=O)(O)O)(=O)O)O)c3c(c(N)ncn3)nc1,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",XTWYTFMLZFPYCI-KQYNXXCUSA-N
BMGC_DG12929,BMG_DG171088,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)COC(=O)C)[H])NC(Cc3sccc3)=O,"InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1",XIURVHNZVLADCM-IUODEOHRSA-N
BMGC_DG12930,BMG_DG171097,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,[C@H]1([C@H]([C@H](O)CO[C@@H]1O)O)O,"InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1",SRBFZHDQGSBBOR-LECHCGJUSA-N
BMGC_DG12931,BMG_DG171099,,OC(=O)C1(CCC1)c2ccc(Cl)cc2,,XYSRHOKREWGGFE-UHFFFAOYSA-N
BMGC_DG12932,BMG_DG171106,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO)O)c([nH]c(cc1)=O)=O,"InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1",DRTQHJPVMGBUCF-XVFCMESISA-N
BMGC_DG12933,BMG_DG171108,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)COP(=O)(O)O)O)c([nH]c(cc1)=O)=O,"InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",DJJCXFVJDGTHFX-XVFCMESISA-N
BMGC_DG12934,BMG_DG171112,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)COP(OP(O)(=O)O)(=O)O)O)c([nH]c(=O)cc1)=O,"InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",XCCTYIAWTASOJW-XVFCMESISA-N
BMGC_DG12935,BMG_DG171113,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,[C@@]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CN)O)O)(O[C@H]2[C@@H]([C@@H](O[C@@]3([C@@H]([C@@H](N)[C@@H]([C@H](O3)CO)O)O)[H])[C@@H](C[C@@H]2N)N)O)[H],"InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1",SBUJHOSQTJFQJX-NOAMYHISSA-N
BMGC_DG12936,BMG_DG171121,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)CO)O,OC[C@H]1O[C@H](C[C@@H]1O)n2c([nH]c(c(Br)c2)=O)=O,"InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1",WOVKYSAHUYNSMH-RRKCRQDMSA-N
BMGC_DG12937,BMG_DG171126,C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O)O,,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1",WQZGKKKJIJFFOK-SVZMEOIVSA-N
BMGC_DG12938,BMG_DG171128,C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N,O=c1c2c(ncc(n2)CNc3ccc(cc3)C(N[C@@H](CCC(O)=O)C(O)=O)=O)nc([nH]1)N,"InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1",OVBPIULPVIDEAO-LBPRGKRZSA-N
BMGC_DG12939,BMG_DG171131,C1=CC=C2C(=C1)C=CC(=O)N2,c12c(ccc([nH]1)=O)cccc2,"InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)",LISFMEBWQUVKPJ-UHFFFAOYSA-N
BMGC_DG12940,BMG_DG171140,CNC[C@@H](C1=CC(=CC=C1)O)O,c1(cc(O)ccc1)[C@@H](O)CNC,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1",SONNWYBIRXJNDC-VIFPVBQESA-N
BMGC_DG12941,BMG_DG171147,C1=CC=C2C(=C1)NC(=O)O2,c12c(oc([nH]1)=O)cccc2,"InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)",ASSKVPFEZFQQNQ-UHFFFAOYSA-N
BMGC_DG12942,BMG_DG171154,C1CCC2=C(C1)C(=C3CCCC3=N2)N,n1c2c(c(c3CCCCc13)N)CCC2,"InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)",YLUSMKAJIQOXPV-UHFFFAOYSA-N
BMGC_DG12943,BMG_DG171157,,O=C1Nc2c(cccc2C(F)(F)F)C1=O,,MXLDJTXXAYVWDF-UHFFFAOYSA-N
BMGC_DG12944,BMG_DG171159,C[C@@H]1CN(C[C@@H](N1)C)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F,C[C@H]1CN(C[C@@H](C)N1)c2c(F)c(N)c3c(=O)c(cn(C4CC4)c3c2F)C(O)=O,"InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+",DZZWHBIBMUVIIW-DTORHVGOSA-N
BMGC_DG12945,BMG_DG171163,C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O,C([C@H](Cc1cc(O)c(cc1)O)N)(=O)O,"InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1",WTDRDQBEARUVNC-LURJTMIESA-N
BMGC_DG12946,BMG_DG171169,C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O,C(=O)(CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O)O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)",KCXVZYZYPLLWCC-UHFFFAOYSA-N
BMGC_DG12947,BMG_DG171170,CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O,c1(sc2ccccc2c1)C(N(C(=O)N)O)C,"InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)",MWLSOWXNZPKENC-UHFFFAOYSA-N
BMGC_DG12948,BMG_DG171174,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O,C=1(C(C(=C(NC1C)COCCN)C(=O)OCC)c2c(Cl)cccc2)C(=O)OC.S(=O)(=O)(c1ccccc1)O,"InChI=1S/C20H25ClN2O5.C6H6O3S/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;7-10(8,9)6-4-2-1-3-5-6/h5-8,17,23H,4,9-11,22H2,1-3H3;1-5H,(H,7,8,9)",ZPBWCRDSRKPIDG-UHFFFAOYSA-N
BMGC_DG12949,BMG_DG171178,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,C(OC(COC(=O)CCC)COC(=O)CCC)(=O)CCC,"InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3",UYXTWWCETRIEDR-UHFFFAOYSA-N
BMGC_DG12950,BMG_DG171182,CC(CC1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)CN,C(c1ccccc1)(Cc2ccccc2)(NC(CN)=O)C,"InChI=1S/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)",YSGASDXSLKIKOD-UHFFFAOYSA-N
BMGC_DG12951,BMG_DG171189,,S(C(F)(F)F)(Nc1cc(OCc2nc3ccccc3cc2)ccc1)(=O)=O,,GOHUJGMYCZDYDF-UHFFFAOYSA-N
BMGC_DG12952,BMG_DG171190,C1=CC=C(C=C1)CCO,c1(CCO)ccccc1,"InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",WRMNZCZEMHIOCP-UHFFFAOYSA-N
BMGC_DG12953,BMG_DG171191,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CCCC#C,c1(c(c(C(C)(C)C)cc(c1)C(=O)CCCC#C)O)C(C)(C)C,"InChI=1S/C20H28O2/c1-8-9-10-11-17(21)14-12-15(19(2,3)4)18(22)16(13-14)20(5,6)7/h1,12-13,22H,9-11H2,2-7H3",ZHXUEUKVDMWSKV-UHFFFAOYSA-N
BMGC_DG12954,BMG_DG171202,C1=CC(=CC=C1C[C@@H](C(=O)O)N)O,C([C@H](Cc1ccc(cc1)O)N)(=O)O,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",OUYCCCASQSFEME-QMMMGPOBSA-N
BMGC_DG12955,BMG_DG171209,,CC(C)OC(=O)/C=C/C(O)=O,,FWUIHQFQLSWYED-ONEGZZNKSA-N
BMGC_DG12956,BMG_DG171210,C(CS)N,SCCN,"InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2",UFULAYFCSOUIOV-UHFFFAOYSA-N
BMGC_DG12957,BMG_DG171211,,c1(ccc(NC(=O)CCC(=O)O)cc1)S(=O)(=O)N,,RXXXPZYBZLDQKP-UHFFFAOYSA-N
BMGC_DG12958,BMG_DG171214,CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CC=C(C=C3)OC)NC(=O)CC(C)(C)N)O)O,C(N[C@H]([C@H]([C@H](CC(C)C)O)O)CC1CCCCC1)([C@@H](NC([C@@H](NC(CC(N)(C)C)=O)Cc2ccc(cc2)OC)=O)Cc3nc[nH]c3)=O,"InChI=1S/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1",KQXVERRYBYGQJZ-WRPDIKACSA-N
BMGC_DG12959,BMG_DG171217,CC1=C([C@@H](C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC,C=1([C@@H](C(C(=O)OCCCN2CCC(CC2)(c3ccccc3)c4ccccc4)=C(NC1C)C)c5cc([N+]([O-])=O)ccc5)C(=O)OC,"InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m0/s1",SVJMLYUFVDMUHP-XIFFEERXSA-N
BMGC_DG12960,BMG_DG171218,C[C@@H]1CN(C[C@@H](N1)C)C2=C(C3=C(C(=C2F)F)C(=O)C(=CN3C4CC4)C(=O)O)F,c12c(n(C3CC3)cc(c1=O)C(=O)O)c(F)c(c(c2F)F)N4C[C@H](C)N[C@@H](C4)C,"InChI=1S/C19H20F3N3O3/c1-8-5-24(6-9(2)23-8)17-14(21)13(20)12-16(15(17)22)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6H2,1-2H3,(H,27,28)/t8-,9+",QIPQASLPWJVQMH-DTORHVGOSA-N
BMGC_DG12961,BMG_DG171219,COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3,N1([C@@H](c2c(Cl)cccc2)C(=O)OC)Cc3ccsc3CC1,"InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1",GKTWGGQPFAXNFI-HNNXBMFYSA-N
BMGC_DG12962,BMG_DG171222,CC1=C(C(=CC=C1)[C@@H](C)C2=CN=CN2)C,n1c[nH]c(c1)[C@H](C)c2cccc(c2C)C,"InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m1/s1",CUHVIMMYOGQXCV-LLVKDONJSA-N
BMGC_DG12963,BMG_DG171223,C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O,n1c(n(C[C@H](OCP(=O)(O)O)CO)ccc1N)=O,"InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1",VWFCHDSQECPREK-LURJTMIESA-N
BMGC_DG12964,BMG_DG171229,,c1(ccc(cc1OC)OC)C(=O)/C=C/c2ccc(cc2)OC,,HVAKUYCEWDPRCA-IZZDOVSWSA-N
BMGC_DG12965,BMG_DG171238,CC1=C(SC=C1)C(=CCCN2CCC[C@H](C2)C(=O)O)C3=C(C=CS3)C,C(c1c(ccs1)C)(c2c(ccs2)C)=CCCN3C[C@H](C(=O)O)CCC3,"InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1",PBJUNZJWGZTSKL-MRXNPFEDSA-N
BMGC_DG12966,BMG_DG171240,CN1CCN(CC1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F,n12c3c(c(N4CCN(CC4)C)c(cc3c(c(c1)C(=O)O)=O)F)OCN2C,"InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)",BPFYOAJNDMUVBL-UHFFFAOYSA-N
BMGC_DG12967,BMG_DG171241,C1=CC(=CC(=C1)Cl)C(C2=CC3=C(C=C2)N=CN3)N4C=CN=C4,n1(C(c2cc3[nH]cnc3cc2)c4cc(Cl)ccc4)cncc1,"InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)",UGFHIPBXIWJXNA-UHFFFAOYSA-N
BMGC_DG12968,BMG_DG171245,CC(C)NC[C@@H](COC1=CC=C(C=C1)CCOCC2CC2)O.Cl,C1CC1COCCc2ccc(OC[C@H](CNC(C)C)O)cc2.Cl,"InChI=1S/C18H29NO3.ClH/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16;/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;1H/t17-;/m0./s1",CHDPSNLJFOQTRK-LMOVPXPDSA-N
BMGC_DG12969,BMG_DG171246,CC(C)NC[C@@H](COC1=CC=C(C=C1)CCOCC2CC2)O,C1CC1COCCc2ccc(OC[C@H](CNC(C)C)O)cc2,"InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1",NWIUTZDMDHAVTP-KRWDZBQOSA-N
BMGC_DG12970,BMG_DG171249,CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F,[C@]1([C@H](c2ccc(cc2CC1)F)C(C)C)(OC(=O)COC)CCN(CCCc3nc4ccccc4[nH]3)C,"InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1",HBNPJJILLOYFJU-VMPREFPWSA-N
BMGC_DG12971,BMG_DG171252,CC1OCC2C(O1)C(C(C(O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OP(=O)(O)O)OC)O)O,,"InChI=1S/C29H33O16P/c1-11-38-9-20-27(42-11)23(30)24(31)29(43-20)44-25-14-7-17-16(40-10-41-17)6-13(14)21(22-15(25)8-39-28(22)32)12-4-18(36-2)26(19(5-12)37-3)45-46(33,34)35/h4-7,11,15,20-25,27,29-31H,8-10H2,1-3H3,(H2,33,34,35)/t11?,15-,20?,21+,22-,23?,24?,25+,27?,29?/m0/s1",LIQODXNTTZAGID-GDAYZDJCSA-N
BMGC_DG12972,BMG_DG171254,CC[N+](C)(CC)CCOC(=O)C(C1CCCC1)(C2=CC=CS2)O,C(c1sccc1)(C(=O)OCC[N+](CC)(CC)C)(C2CCCC2)O,"InChI=1S/C18H30NO3S/c1-4-19(3,5-2)12-13-22-17(20)18(21,15-9-6-7-10-15)16-11-8-14-23-16/h8,11,14-15,21H,4-7,9-10,12-13H2,1-3H3/q+1",NEMLPWNINZELKP-UHFFFAOYSA-N
BMGC_DG12973,BMG_DG171263,,C1(c2c(cc(cc2)Cl)CCc3c1nccc3)=C4CCN(CC4)C(=O)C,,FLTBEMVEAFMWDD-UHFFFAOYSA-N
BMGC_DG12974,BMG_DG171269,,c1cc2ccn(c2cc1)N(CCC)c3ccncc3,,OTPPJICEBWOCKD-UHFFFAOYSA-N
BMGC_DG12975,BMG_DG171271,CC(C)CN[C@H]1CCS(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N,c12c([C@H](CCS1(=O)=O)NCC(C)C)cc(s2)S(N)(=O)=O,"InChI=1S/C11H18N2O4S3/c1-7(2)6-13-9-3-4-19(14,15)11-8(9)5-10(18-11)20(12,16)17/h5,7,9,13H,3-4,6H2,1-2H3,(H2,12,16,17)/t9-/m0/s1",JFLUCCKXAYBETQ-VIFPVBQESA-N
BMGC_DG12976,BMG_DG171275,CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O.Cl,n12c(-c3nc4ccc(c(c4cc3C1)CN(C)C)O)cc5c(c2=O)COC(=O)[C@]5(O)CC.Cl,"InChI=1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1",DGHHQBMTXTWTJV-BQAIUKQQSA-N
BMGC_DG12977,BMG_DG171277,C[C@H]1C[C@H]([C@@H](NC1)[C@@H](C)C2=C(C3=C(C=C2)[C@@H]4CC=C5C[C@H](CC[C@@]5([C@H]4C3)C)O)C)O,[C@]12([C@](c3ccc(c(c3C1)C)[C@@H]([C@]4([C@@H](C[C@H](C)CN4)O)[H])C)(CC=C5[C@@]2(CC[C@@H](C5)O)C)[H])[H],"InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3/t15-,17-,19-,22-,24-,25+,26-,27-/m0/s1",MALFODICFSIXPO-KFKQDBFTSA-N
BMGC_DG12978,BMG_DG171278,CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O,n12c(-c3nc4ccc(c(c4cc3C1)CN(C)C)O)cc5c(c2=O)COC(=O)[C@]5(O)CC,"InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1",UCFGDBYHRUNTLO-QHCPKHFHSA-N
BMGC_DG12979,BMG_DG171281,C1CN(CCC1CC2=CC=C(C=C2)F)CC(C3=CC=C(C=C3)Cl)O,N1(CC(c2ccc(cc2)Cl)O)CCC(Cc3ccc(F)cc3)CC1,"InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2",GGUSQTSTQSHJAH-UHFFFAOYSA-N
BMGC_DG12980,BMG_DG171282,C1=CSC(=C1)C(=O)C2=C(N(C3=C2C=C(C=C3)Cl)C(=O)N)O,N1(C(/C(=C(/c2sccc2)\O)/c3c1ccc(Cl)c3)=O)C(N)=O,"InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)",LXIKEPCNDFVJKC-QXMHVHEDSA-N;IZSFDUMVCVVWKW-UHFFFAOYSA-N
BMGC_DG12981,BMG_DG171284,CC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3],[Gd+3].N1(CC([O-])=O)CCN(CC([O-])=O)CCN(CC(O)C)CCN(CC1)CC([O-])=O,"InChI=1S/C17H32N4O7.Gd/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26;/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3",DPNNNPAKRZOSMO-UHFFFAOYSA-K
BMGC_DG12982,BMG_DG171287,,C(OCC)(=O)CN1C(=O)c2c(cccc2)S1(=O)=O,,YKCQHUPTHHPHGX-UHFFFAOYSA-N
BMGC_DG12983,BMG_DG171288,C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O,O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)c2cc(cc(O)c2C(CCc3ccc(cc3)O)=O)O,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1",IOUVKUPGCMBWBT-QNDFHXLGSA-N
BMGC_DG12984,BMG_DG171290,C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)O,c1(C(c2ccc(Br)cc2)=O)c(c(ccc1)CC(O)=O)N,"InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)",ZBPLOVFIXSTCRZ-UHFFFAOYSA-N
BMGC_DG12985,BMG_DG171293,,CCn1nnn(CCN2CCC(CC2)(N(C(=O)CC)c3c(F)cccc3)c4ccccc4)c1=O,,RJSCINHYBGMIFT-UHFFFAOYSA-N
BMGC_DG12986,BMG_DG171297,CCCC(=O)O[C@H]1CN2CC[C@@H]([C@@H]2[C@H]([C@@H]1O)O)O,C(CCC)(=O)O[C@H]1CN2CC[C@@H]([C@@]2([C@H]([C@@H]1O)O)[H])O,"InChI=1S/C12H21NO5/c1-2-3-9(15)18-8-6-13-5-4-7(14)10(13)12(17)11(8)16/h7-8,10-12,14,16-17H,2-6H2,1H3/t7-,8-,10+,11+,12+/m0/s1",HTJGLYIJVSDQAE-VWNXEWBOSA-N
BMGC_DG12987,BMG_DG171305,CCCC(=O)OCOC(=O)C(C)(C)C,C(C(C)(C)C)(OCOC(=O)CCC)=O,"InChI=1S/C10H18O4/c1-5-6-8(11)13-7-14-9(12)10(2,3)4/h5-7H2,1-4H3",GYKLFBYWXZYSOW-UHFFFAOYSA-N
BMGC_DG12988,BMG_DG171306,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F.Cl,n1([C@H]2C([C@H](O)[C@H](O2)CO)(F)F)c(nc(cc1)N)=O.Cl,"InChI=1S/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6-,7-;/m1./s1",OKKDEIYWILRZIA-OSZBKLCCSA-N
BMGC_DG12989,BMG_DG171307,,N1(c2c(cccc2)Sc3c1cccc3)CC4CN(C)CCC4,,CBHCDHNUZWWAPP-UHFFFAOYSA-N
BMGC_DG12990,BMG_DG171308,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F,n1([C@H]2C([C@H](O)[C@H](O2)CO)(F)F)c(nc(cc1)N)=O,"InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1",SDUQYLNIPVEERB-QPPQHZFASA-N
BMGC_DG12991,BMG_DG171309,C1CC2=NC1=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC(=CC=C6)O)N5)C7=CC(=CC=C7)O)C8=CC(=CC=C8)O)C9=CC(=CC=C9)O,c12nc(c(c3[nH]c(c(-c4cc(O)ccc4)c5nc(c(c6[nH]c(c1-c7cc(O)ccc7)cc6)-c8cc(O)ccc8)CC5)cc3)-c9cc(O)ccc9)C=C2,"InChI=1S/C44H32N4O4/c49-29-9-1-5-25(21-29)41-33-13-15-35(45-33)42(26-6-2-10-30(50)22-26)37-17-19-39(47-37)44(28-8-4-12-32(52)24-28)40-20-18-38(48-40)43(36-16-14-34(41)46-36)27-7-3-11-31(51)23-27/h1-17,19,21-24,46-47,49-52H,18,20H2",LYPFDBRUNKHDGX-UHFFFAOYSA-N;LYPFDBRUNKHDGX-LWQDQPMZSA-N
BMGC_DG12992,BMG_DG171310,CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O,S(Nc1ccc(cc1)C(O)CCCN(CC)CCCCCCC)(=O)(=O)C,"InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3",ALOBUEHUHMBRLE-UHFFFAOYSA-N
BMGC_DG12993,BMG_DG171311,CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O.[Gd+3],,"InChI=1S/C16H29N5O8.Gd.H2O/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);;1H2/q;+3;/p-3",XPCLDSMKWNNKOM-UHFFFAOYSA-K
BMGC_DG12994,BMG_DG171315,C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O,n1([C@H]2[C@@H]([C@@H]3OP(=O)(O)OC[C@H]3O2)O)c4c(c(N)ncn4)nc1,"InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",IVOMOUWHDPKRLL-KQYNXXCUSA-N
BMGC_DG12995,BMG_DG171319,CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=C5C=COC5=CC=C4,C(N([C@@H]1[C@@H](N2CCCC2)C[C@]3(CC1)OCCC3)C)(Cc4c5c(occ5)ccc4)=O,"InChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3/t20-,21-,24-/m0/s1",JMBYBVLCYODBJQ-HFMPRLQTSA-N
BMGC_DG12996,BMG_DG171323,CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C,c12N(c3c(cccc3)Sc1ccc(c2)C(C)=O)CCCN(C)C,"InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3",NOSIYYJFMPDDSA-UHFFFAOYSA-N
BMGC_DG12997,BMG_DG171326,,,,
BMGC_DG12998,BMG_DG171327,CC1=CC(=C(C=C1)O)[C@@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2,c1(c(cc(cc1)C)[C@@H](CCN(C(C)C)C(C)C)c2ccccc2)O,"InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m0/s1",OOGJQPCLVADCPB-FQEVSTJZSA-N
BMGC_DG12999,BMG_DG171328,,c-12c(C(=NCc3n1c(nn3)C)c4c(Cl)cccc4)cc(s2)C#CCn5c(c6ccccc6c7c5cccc7)=O,,MPMZSZMDCRPSRF-UHFFFAOYSA-N
BMGC_DG13000,BMG_DG171331,CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,,"InChI=1S/C45H54N4O8.2C4H6O6/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7;2*5-1(3(7)8)2(6)4(9)10/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3;2*1-2,5-6H,(H,7,8)(H,9,10)/t28?,37-,38+,39+,42+,43+,44-,45-;2*1-,2-/m011/s1",CILBMBUYJCWATM-NPJYPKOYSA-N
BMGC_DG13001,BMG_DG171338,C1CN(CCN1CCCN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O)C5=CC=C(C=C5)F,Fc1ccc(cc1)N2CCN(CCCN3c4cccc5c4c(ccc5)S3(=O)=O)CC2,"InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2",VGIGHGMPMUCLIQ-UHFFFAOYSA-N
BMGC_DG13002,BMG_DG171339,,,,
BMGC_DG13003,BMG_DG171342,C1=CC(=CC=C1CCCCNC[C@@H](C2=CC(=C(C=C2)O)O)O)O,c1c(c(O)ccc1[C@@H](O)CNCCCCc2ccc(cc2)O)O,"InChI=1S/C18H23NO4/c20-15-7-4-13(5-8-15)3-1-2-10-19-12-18(23)14-6-9-16(21)17(22)11-14/h4-9,11,18-23H,1-3,10,12H2/t18-/m0/s1",IIRWWTKISYTTBL-SFHVURJKSA-N
BMGC_DG13004,BMG_DG171348,CC1=CNC2=C(C=C3C(=C12)[C@@H](CN3C(=O)C4=CC5=C(N4)C=CC(=C5)NC(=O)NC6=CC7=C(C=C6)NC(=C7)C(=O)N8C[C@H](C9=C1C(=CNC1=C(C=C98)O)C)CCl)CCl)O,N1(c2c(c3c(c[nH]c3c(c2)O)C)[C@@H](C1)CCl)C(c4[nH]c5ccc(NC(Nc6cc7cc(C(N8c9c(c%10c(c[nH]c%10c(c9)O)C)[C@@H](C8)CCl)=O)[nH]c7cc6)=O)cc5c4)=O,"InChI=1S/C43H36Cl2N8O5/c1-19-15-46-39-33(54)11-31-37(35(19)39)23(13-44)17-52(31)41(56)29-9-21-7-25(3-5-27(21)50-29)48-43(58)49-26-4-6-28-22(8-26)10-30(51-28)42(57)53-18-24(14-45)38-32(53)12-34(55)40-36(38)20(2)16-47-40/h3-12,15-16,23-24,46-47,50-51,54-55H,13-14,17-18H2,1-2H3,(H2,48,49,58)/t23-,24-/m1/s1",FONKWHRXTPJODV-DNQXCXABSA-N
BMGC_DG13005,BMG_DG171350,C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl,N1c2cc(OCCCCN3CCN(CC3)c4c(c(Cl)ccc4)Cl)ccc2CCC1=O,"InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)",CEUORZQYGODEFX-UHFFFAOYSA-N
BMGC_DG13006,BMG_DG171351,CN1C2=C(C=CC(=C2)C(C3=CC=C(C=C3)Cl)N4C=NC=N4)N=N1,n1nc2ccc(cc2n1C)C(n3ncnc3)c4ccc(cc4)Cl,"InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3",XLMPPFTZALNBFS-UHFFFAOYSA-N
BMGC_DG13007,BMG_DG171359,CCCCN1C[C@@H]([C@H]([C@@H]([C@H]1COC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC,[C@@H]1([C@@H]([C@@H](OC(=O)CCC)CN([C@@H]1COC(=O)CCC)CCCC)OC(=O)CCC)OC(=O)CCC,"InChI=1S/C26H45NO8/c1-6-11-16-27-17-20(33-22(29)13-8-3)26(35-24(31)15-10-5)25(34-23(30)14-9-4)19(27)18-32-21(28)12-7-2/h19-20,25-26H,6-18H2,1-5H3/t19-,20+,25-,26-/m1/s1",MKGDNVHZSCXBKR-KYVQNOJUSA-N
BMGC_DG13008,BMG_DG171360,CCCCCCOC1=NSN=C1C2=CCCN(C2)C,c1(C=2CN(CCC2)C)c(nsn1)OCCCCCC,"InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3",JOLJIIDDOBNFHW-UHFFFAOYSA-N
BMGC_DG13009,BMG_DG171364,,C(C(c1cc([Si](C)(C)C)ccc1)=O)(F)(F)F,,GAPOASFZXBWUGS-UHFFFAOYSA-N
BMGC_DG13010,BMG_DG171367,C1CN(CCN1CCCCN2C=C(C=N2)Cl)C3=NC=CC=N3,n1(ncc(c1)Cl)CCCCN2CCN(c3ncccn3)CC2,"InChI=1S/C15H21ClN6/c16-14-12-19-22(13-14)7-2-1-6-20-8-10-21(11-9-20)15-17-4-3-5-18-15/h3-5,12-13H,1-2,6-11H2",AHCPKWJUALHOPH-UHFFFAOYSA-N
BMGC_DG13011,BMG_DG171368,CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC.Cl,C1(N(C(=O)CC)c2ccccc2)(C(=O)OC)CCN(CC1)CCC(=O)OC.Cl,"InChI=1S/C20H28N2O5.ClH/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2;/h5-9H,4,10-15H2,1-3H3;1H",WFBMIPUMYUHANP-UHFFFAOYSA-N
BMGC_DG13012,BMG_DG171370,CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC,C1(N(C(=O)CC)c2ccccc2)(C(=O)OC)CCN(CC1)CCC(=O)OC,"InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3",ZTVQQQVZCWLTDF-UHFFFAOYSA-N
BMGC_DG13013,BMG_DG171372,,,,
BMGC_DG13014,BMG_DG171375,CC(C(C1=C(C=CC(=C1)OC)OC)O)N,,"InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3",WJAJPNHVVFWKKL-UHFFFAOYSA-N
BMGC_DG13015,BMG_DG171376,,C(N1CCCCC1)(c2cc(CN3CCN(CC3)c4c(OC(C)C)cccc4)ccc2)=O,,ZKZFPRUSWCYSGT-UHFFFAOYSA-N
BMGC_DG13016,BMG_DG171377,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2],c1(c(-c2ccc(F)cc2)n(c(C(C)C)c1C(=O)Nc3ccccc3)CC[C@@H](O)C[C@@H](O)CC(=O)[O-])-c4ccccc4.[Ca+2].c1(c(-c2ccc(cc2)F)n(c(C(C)C)c1C(=O)Nc3ccccc3)CC[C@@H](O)C[C@@H](O)CC(=O)[O-])-c4ccccc4,"InChI=1S/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m11./s1",FQCKMBLVYCEXJB-MNSAWQCASA-L
BMGC_DG13017,BMG_DG171379,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4,c1(c(n(CC[C@H](C[C@H](CC(=O)O)O)O)c(c1-c2ccccc2)-c3ccc(cc3)F)C(C)C)C(Nc4ccccc4)=O,"InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1",XUKUURHRXDUEBC-KAYWLYCHSA-N
BMGC_DG13018,BMG_DG171381,C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N,n1(c(nc(cc1)N)=O)[C@H]2O[C@@H](CO)SC2,"InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1",JTEGQNOMFQHVDC-NKWVEPMBSA-N
BMGC_DG13019,BMG_DG171390,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)COP(=O)(O)O)O)c3c(c(N)ncn3)nc1,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",UDMBCSSLTHHNCD-KQYNXXCUSA-N
BMGC_DG13020,BMG_DG171391,C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-],,"InChI=1S/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1",DQHNAVOVODVIMG-UHFFFAOYSA-M
BMGC_DG13021,BMG_DG171393,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.Cl,c1(sccc1)[C@@H](Oc2c3c(cccc3)ccc2)CCNC.Cl,"InChI=1S/C18H19NOS.ClH/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m0./s1",BFFSMCNJSOPUAY-LMOVPXPDSA-N
BMGC_DG13022,BMG_DG171394,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32,c1(sccc1)[C@@H](Oc2c3c(cccc3)ccc2)CCNC,"InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1",ZEUITGRIYCTCEM-KRWDZBQOSA-N
BMGC_DG13023,BMG_DG171396,CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.O.O.O.Cl,C(C)c1c2c(-c3n(C2)c(=O)c4c(c3)[C@](CC)(O)C(=O)OC4)nc5c1cc(OC(=O)N6CCC(CC6)N7CCCCC7)cc5.Cl.O.O.O,"InChI=1S/C33H38N4O6.ClH.3H2O/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;;;;/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1H;3*1H2/t33-;;;;/m0..../s1",KLEAIHJJLUAXIQ-JDRGBKBRSA-N
BMGC_DG13024,BMG_DG171397,CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7,C(C)c1c2c(-c3n(C2)c(=O)c4c(c3)[C@](CC)(O)C(=O)OC4)nc5c1cc(OC(=O)N6CCC(CC6)N7CCCCC7)cc5,"InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1",UWKQSNNFCGGAFS-XIFFEERXSA-N
BMGC_DG13025,BMG_DG171400,CCC1=CC(=CC=C1)N(C)C(=NC2=CC=CC3=CC=CC=C32)N,N(C(Nc1cccc2ccccc12)=N)(C)c3cc(ccc3)CC,"InChI=1S/C20H21N3/c1-3-15-8-6-11-17(14-15)23(2)20(21)22-19-13-7-10-16-9-4-5-12-18(16)19/h4-14H,3H2,1-2H3,(H2,21,22)",BFNCJMURTMZBTE-UHFFFAOYSA-N
BMGC_DG13026,BMG_DG171402,C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2[C@H]([C@H](C(=O)O)O)SCCC(=O)O,c1c([C@H]([C@H](C(O)=O)O)SCCC(O)=O)c(ccc1)CCCCCCCCc2ccccc2,"InChI=1S/C26H34O5S/c27-23(28)18-19-32-25(24(29)26(30)31)22-17-11-10-16-21(22)15-9-4-2-1-3-6-12-20-13-7-5-8-14-20/h5,7-8,10-11,13-14,16-17,24-25,29H,1-4,6,9,12,15,18-19H2,(H,27,28)(H,30,31)/t24-,25-/m1/s1",PZIFPMYXXCAOCC-JWQCQUIFSA-N
BMGC_DG13027,BMG_DG171403,CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O,N([C@H](C(=O)O)C(C)C)(C(=O)CCCC)Cc1ccc(-c2c(-c3nnn[nH]3)cccc2)cc1,"InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1",ACWBQPMHZXGDFX-QFIPXVFZSA-N
BMGC_DG13028,BMG_DG171405,CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)OC,c1([nH]c2ccc(cc2c1)OC)C(N3CCN(c4ncccc4NCC)CC3)=O,"InChI=1S/C21H25N5O2/c1-3-22-18-5-4-8-23-20(18)25-9-11-26(12-10-25)21(27)19-14-15-13-16(28-2)6-7-17(15)24-19/h4-8,13-14,22,24H,3,9-12H2,1-2H3",UCPOMLWZWRTIAA-UHFFFAOYSA-N
BMGC_DG13029,BMG_DG171409,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,C(P(O)(=O)O)(P(=O)(O)O)(CCN(CCCCC)C)O,"InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)",MPBVHIBUJCELCL-UHFFFAOYSA-N
BMGC_DG13030,BMG_DG171410,C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.Cl,c1(nsc2c1cccc2)N3CCN(CC3)CCc4c(cc5NC(Cc5c4)=O)Cl.Cl.O,"InChI=1S/C21H21ClN4OS.ClH.H2O/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;;/h1-4,11,13H,5-10,12H2,(H,23,27);1H;1H2",ZCBZSCBNOOIHFP-UHFFFAOYSA-N
BMGC_DG13031,BMG_DG171411,C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54,c1(nsc2c1cccc2)N3CCN(CC3)CCc4c(cc5NC(Cc5c4)=O)Cl,"InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)",MVWVFYHBGMAFLY-UHFFFAOYSA-N
BMGC_DG13032,BMG_DG171412,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N=C(N)N,N([C@@H]1[C@@H](NC(N)=N)C=C(C(=O)O)O[C@@]1([H])[C@H](O)[C@H](O)CO)C(=O)C,"InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1",ARAIBEBZBOPLMB-UFGQHTETSA-N
BMGC_DG13033,BMG_DG171413,CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3,C1(N[C@@H](Cc2cc3c(c[nH]c3cc2)CCN(C)C)CO1)=O,"InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1",ULSDMUVEXKOYBU-ZDUSSCGKSA-N
BMGC_DG13034,BMG_DG171414,C1=CC(=CC(=C1)I)CN=C(N)N,C(=N)(NCc1cc(I)ccc1)N,"InChI=1S/C8H10IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)",PDWUPXJEEYOOTR-UHFFFAOYSA-N
BMGC_DG13035,BMG_DG171416,CC1CC(=O)NN=C1C2=CC=C(C=C2)NN=C(C#N)C#N,C1(=O)CC(C)C(=NN1)c2ccc(cc2)NN=C(C#N)C#N,"InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)",WHXMKTBCFHIYNQ-UHFFFAOYSA-N
BMGC_DG13036,BMG_DG171417,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)O)C,N12[C@@](SC([C@@H]1C(O)=O)(C)C)([H])[C@@H](C2=O)NC(c3c(OC)cccc3OC)=O,"InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1",RJQXTJLFIWVMTO-TYNCELHUSA-N
BMGC_DG13037,BMG_DG171419,CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCOC(=O)C(C)(C)C,c12ncn(c1ncnc2N)CCOCP(OCOC(C(C)(C)C)=O)(OCOC(C(C)(C)C)=O)=O,"InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)",WOZSCQDILHKSGG-UHFFFAOYSA-N
BMGC_DG13038,BMG_DG171423,,c1(ccc(cc1)SC[C@H]2O[C@](OC2)(Cn3ccnc3)CCc4ccc(cc4)Cl)N,,VYNIUBZKEWJOJP-UNMCSNQZSA-N
BMGC_DG13039,BMG_DG171424,C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F,n1(c(nc(c(c1)F)N)=O)[C@H]2O[C@@H](CO)SC2,"InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1",XQSPYNMVSIKCOC-NTSWFWBYSA-N
BMGC_DG13040,BMG_DG171425,CNCCC1=CNC2=CC=CC=C21,[nH]1cc(CCNC)c2c1cccc2,"InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3",NCIKQJBVUNUXLW-UHFFFAOYSA-N
BMGC_DG13041,BMG_DG171428,CN(C)CCC1=CNC2=CC=CC=C21,[nH]1cc(CCN(C)C)c2c1cccc2,"InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3",DMULVCHRPCFFGV-UHFFFAOYSA-N
BMGC_DG13042,BMG_DG171434,CCN(CC)CCC1=CNC2=CC=CC=C21,[nH]1cc(CCN(CC)CC)c2c1cccc2,"InChI=1S/C14H20N2/c1-3-16(4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-8,11,15H,3-4,9-10H2,1-2H3",LSSUMOWDTKZHHT-UHFFFAOYSA-N
BMGC_DG13043,BMG_DG171439,,C(P(=O)(OC)OC)(OP(=O)(OC)OC)c1ccc(cc1)Cl,,VQHUQHAPWMNBLP-UHFFFAOYSA-N
BMGC_DG13044,BMG_DG171445,CC1=C2CCC(=O)N(C2=NC(=N1)C)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,c12N(C(=O)CCc1c(C)nc(n2)C)Cc3ccc(-c4c(-c5nnn[nH]5)cccc4)cc3,"InChI=1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29)",ADXGNEYLLLSOAR-UHFFFAOYSA-N
BMGC_DG13045,BMG_DG171447,CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4NS(=O)(=O)C(F)(F)F)C(=O)N)C5CC5,c1(nc(c(n1Cc2cc3c(c(oc3cc2)-c4c(cccc4)NS(=O)(=O)C(F)(F)F)Br)C(=O)N)C5CC5)CC,"InChI=1S/C25H22BrF3N4O4S/c1-2-19-31-21(14-8-9-14)22(24(30)34)33(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)32-38(35,36)25(27,28)29/h3-7,10-11,14,32H,2,8-9,12H2,1H3,(H2,30,34)",DUEWVPTZCSAMNB-UHFFFAOYSA-N
BMGC_DG13046,BMG_DG171448,CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)O,c1(n(c2ccc(cc2c1SC(C)(C)C)OCc3nc4ccccc4cc3)Cc5ccc(cc5)Cl)CC(C(O)=O)(C)C,"InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)",NZOONKHCNQFYCI-UHFFFAOYSA-N
BMGC_DG13047,BMG_DG171451,C1CN(C(=O)N1)C2=NC=C(S2)[N+](=O)[O-],c1(sc([N+]([O-])=O)cn1)N2C(NCC2)=O,"InChI=1S/C6H6N4O3S/c11-5-7-1-2-9(5)6-8-3-4(14-6)10(12)13/h3H,1-2H2,(H,7,11)",RDXLYGJSWZYTFJ-UHFFFAOYSA-N
BMGC_DG13048,BMG_DG171454,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Ca+2],C([O-])(=O)CN(CC(=O)[O-])CCN(CC([O-])=O)CC(=O)[O-].[Na+].[Ca+2].[Na+],"InChI=1S/C10H16N2O8.Ca.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;+2;2*+1/p-4",SHWNNYZBHZIQQV-UHFFFAOYSA-J
BMGC_DG13049,BMG_DG171461,,,,
BMGC_DG13050,BMG_DG171487,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O.CS(=O)(=O)O,N1([C@H](C(=O)NC(C)(C)C)C[C@@]2(CCCC[C@@]2(C1)[H])[H])C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)c4ccc5c(n4)cccc5)CC(=O)N.S(=O)(=O)(O)C,"InChI=1S/C38H50N6O5.CH4O3S/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29;1-5(2,3)4/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49);1H3,(H,2,3,4)/t26-,27+,30-,31-,32-,33+;/m0./s1",IRHXGOXEBNJUSN-YOXDLBRISA-N
BMGC_DG13051,BMG_DG171491,C1=CC(=CC=C1SC(P(=O)(O)[O-])P(=O)(O)[O-])Cl.[Na+].[Na+],C(P([O-])(=O)O)(P([O-])(=O)O)Sc1ccc(cc1)Cl.[Na+].[Na+],"InChI=1S/C7H9ClO6P2S.2Na/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14;;/h1-4,7H,(H2,9,10,11)(H2,12,13,14);;/q;2*+1/p-2",SKUHWSDHMJMHIW-UHFFFAOYSA-L
BMGC_DG13052,BMG_DG171493,C1=CC(=CC=C1SC(P(=O)(O)O)P(=O)(O)O)Cl,C(P(O)(=O)O)(P(O)(=O)O)Sc1ccc(cc1)Cl,"InChI=1S/C7H9ClO6P2S/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)",DKJJVAGXPKPDRL-UHFFFAOYSA-N
BMGC_DG13053,BMG_DG171498,COC1=C(C=C(C=C1)S(=O)(=O)N2[C@H]([C@](C3=C2C=CC(=C3)Cl)(C4=CC=CC=C4Cl)O)C(=O)N5CCC[C@H]5C(=O)N)OC,N1(S(c2cc(OC)c(cc2)OC)(=O)=O)[C@H]([C@](c3c(Cl)cccc3)(O)c4c1ccc(Cl)c4)C(N5[C@H](C(=O)N)CCC5)=O,"InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1",CEBYCSRFKCEUSW-NAYZPBBASA-N
BMGC_DG13054,BMG_DG171500,CCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O.O.Cl,S(N[C@H](C(=O)O)Cc1ccc(OCCCCC2CCNCC2)cc1)(=O)(=O)CCCC.Cl.O,"InChI=1S/C22H36N2O5S.ClH.H2O/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18;;/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26);1H;1H2/t21-;;/m0../s1",HWAAPJPFZPHHBC-FGJQBABTSA-N
BMGC_DG13055,BMG_DG171501,CCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O,S(N[C@H](C(=O)O)Cc1ccc(OCCCCC2CCNCC2)cc1)(=O)(=O)CCCC,"InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1",COKMIXFXJJXBQG-NRFANRHFSA-N
BMGC_DG13056,BMG_DG171503,CC1(C2=CC=CC=C2C(=O)N(C1=O)CCN3CCN(CC3)C4=CC=CC=C4OC)C,C1(N(C(=O)c2c(C1(C)C)cccc2)CCN3CCN(CC3)c4c(OC)cccc4)=O,"InChI=1S/C24H29N3O3/c1-24(2)19-9-5-4-8-18(19)22(28)27(23(24)29)17-14-25-12-15-26(16-13-25)20-10-6-7-11-21(20)30-3/h4-11H,12-17H2,1-3H3",JFNKXGOEOQCXDM-UHFFFAOYSA-N
BMGC_DG13057,BMG_DG171507,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)C)O)c(nc(c(c1)F)NC(=O)OCCCCC)=O,"InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1",GAGWJHPBXLXJQN-UORFTKCHSA-N
BMGC_DG13058,BMG_DG171510,CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC6=C(C=C5N=C4C3=C2)OCCO6)CN7CCN(CC7)C)O,n12c(-c3nc4cc5OCCOc5cc4c(c3C1)CN6CCN(C)CC6)cc7[C@@](C(=O)OCc7c2=O)(O)CC,"InChI=1S/C28H30N4O6/c1-3-28(35)20-11-22-25-18(14-32(22)26(33)19(20)15-38-27(28)34)17(13-31-6-4-30(2)5-7-31)16-10-23-24(12-21(16)29-25)37-9-8-36-23/h10-12,35H,3-9,13-15H2,1-2H3/t28-/m0/s1",RVFGKBWWUQOIOU-NDEPHWFRSA-N
BMGC_DG13059,BMG_DG171514,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO)O)c3c(c(N)ncn3)nc1,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",OIRDTQYFTABQOQ-KQYNXXCUSA-N
BMGC_DG13060,BMG_DG171524,,,,
BMGC_DG13061,BMG_DG171535,C1=CC=C2C(=C1)C(C(=O)N2)O,,"InChI=1S/C8H7NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4,7,10H,(H,9,11)",SGZFJWQQBHYNNF-UHFFFAOYSA-N
BMGC_DG13062,BMG_DG171549,CC(=O)OC1(CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3,C1(c2ccccc2)(CCN(CCc3ccccc3)CC1)OC(C)=O,"InChI=1S/C21H25NO2/c1-18(23)24-21(20-10-6-3-7-11-20)13-16-22(17-14-21)15-12-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3",BVURVTVDNWSNFN-UHFFFAOYSA-N
BMGC_DG13063,BMG_DG171551,CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,N12[C@@]([C@H](NC(c3c(noc3C)-c4c(Cl)cccc4)=O)C1=O)(SC([C@@H]2C(=O)O)(C)C)[H],"InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1",LQOLIRLGBULYKD-JKIFEVAISA-N
BMGC_DG13064,BMG_DG171554,CCN(CC)CC#CCOC(=O)[C@@](C1CCCCC1)(C2=CC=CC=C2)O,c1ccc([C@@](C(=O)OCC#CCN(CC)CC)(C2CCCCC2)O)cc1,"InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/t22-/m0/s1",XIQVNETUBQGFHX-QFIPXVFZSA-N
BMGC_DG13065,BMG_DG171558,CCCCC(=O)C(=O)C,C(C(C)=O)(CCCC)=O,"InChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3",FJPGAMCQJNLTJC-UHFFFAOYSA-N
BMGC_DG13066,BMG_DG171568,CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-],[s+]1c2c(ccc(c2)N(C)C)nc3c1cc(N(C)C)cc3.[Cl-],"InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1",CXKWCBBOMKCUKX-UHFFFAOYSA-M
BMGC_DG13067,BMG_DG171586,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Mg+2].[Mg+2].[Mg+2],[Mg+2].[O-]C(CC(CC([O-])=O)(O)C(=O)[O-])=O.[O-]C(CC(CC([O-])=O)(O)C(=O)[O-])=O.[Mg+2].[Mg+2],"InChI=1S/2C6H8O7.3Mg/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",PLSARIKBYIPYPF-UHFFFAOYSA-H
BMGC_DG13068,BMG_DG171590,,c1(NNC(N)=O)ccccc1,,AVKHCKXGKPAGEI-UHFFFAOYSA-N
BMGC_DG13069,BMG_DG171598,CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O)C6=CC=CC=C6N4C,[C@]123[C@]([C@]4(N5[C@H](O)[C@H]([C@@](C4)([H])[C@H]([C@H]1O)[C@@H]5C2)CC)[H])(N(C)c6c3cccc6)[H],"InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16-,17-,18+,19+,20+/m0/s1",CJDRUOGAGYHKKD-RQBLFBSQSA-N
BMGC_DG13070,BMG_DG171604,CC1=CC=C(C=C1)S(=O)(=O)O,Cc1ccc(cc1)S(=O)(=O)O,"InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)",JOXIMZWYDAKGHI-UHFFFAOYSA-N
BMGC_DG13071,BMG_DG171618,C([C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)OP(=O)(O)O,O(C[C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)P(=O)(O)O,"InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1",VFRROHXSMXFLSN-KVTDHHQDSA-N
BMGC_DG13072,BMG_DG171624,,[C@@]1(c2c(cc(C#N)cc2)CO1)(c3ccc(cc3)F)CCCN(C)C,,WSEQXVZVJXJVFP-HXUWFJFHSA-N
BMGC_DG13073,BMG_DG171643,,,,
BMGC_DG13074,BMG_DG171644,,,,
BMGC_DG13075,BMG_DG171646,,Cc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1,,HXQLTRSIZRSFTR-UHFFFAOYSA-N
BMGC_DG13076,BMG_DG171647,,,,
BMGC_DG13077,BMG_DG171648,,,,
BMGC_DG13078,BMG_DG171650,,,,
BMGC_DG13079,BMG_DG171651,,c1cc(-c2cc(c3c(ccc(c3)O)c2)C#N)cc(c1O)F,,NSSOSHDCWCMNDM-UHFFFAOYSA-N
BMGC_DG13080,BMG_DG171653,,,,
BMGC_DG13081,BMG_DG171655,,,,
BMGC_DG13082,BMG_DG171656,CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)NC(=O)[C@](C)(C(F)(F)F)O)C,,"InChI=1S/C19H21F3N2O4S/c1-4-24(14-8-6-5-7-9-14)29(27,28)15-10-11-16(13(2)12-15)23-17(25)18(3,26)19(20,21)22/h5-12,26H,4H2,1-3H3,(H,23,25)/t18-/m1/s1",SHEIQJGQDUYUBE-GOSISDBHSA-N
BMGC_DG13083,BMG_DG171657,,,,
BMGC_DG13084,BMG_DG171659,,,,
BMGC_DG13085,BMG_DG171660,,,,
BMGC_DG13086,BMG_DG171664,,,,
BMGC_DG13087,BMG_DG171666,,CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc4cc(C(=O)c5ccccc5)ccc14,,ZXWVCCFKIRBLDP-UHFFFAOYSA-N
BMGC_DG13088,BMG_DG171667,,,,
BMGC_DG13089,BMG_DG171668,,,,
BMGC_DG13090,BMG_DG171669,,,,
BMGC_DG13091,BMG_DG171670,,,,
BMGC_DG13092,BMG_DG171672,C1=CC2=C(C=C1Cl)N=C(O2)N,n1c(oc2c1cc(cc2)Cl)N,"InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)",YGCODSQDUUUKIV-UHFFFAOYSA-N
BMGC_DG13093,BMG_DG171683,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)[S-])O)O)O)O.[Au+],[C@H]1([C@H]([C@@H]([C@@H](CO)O[C@@H]1[S-])O)O)O.[Au+],"InChI=1S/C6H12O5S.Au/c7-1-2-3(8)4(9)5(10)6(12)11-2;/h2-10,12H,1H2;/q;+1/p-1/t2-,3-,4+,5-,6-;/m1./s1",XHVAWZZCDCWGBK-WYRLRVFGSA-M
BMGC_DG13094,BMG_DG171690,CC1=C(C(=CC=C1)C)S,c1(c(cccc1C)C)S,"InChI=1S/C8H10S/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3",QCLJODDRBGKIRW-UHFFFAOYSA-N
BMGC_DG13095,BMG_DG171692,CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O,c1(c(c(ccc1)Cl)C)Nc2ccccc2C(O)=O,"InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)",YEZNLOUZAIOMLT-UHFFFAOYSA-N
BMGC_DG13096,BMG_DG171700,C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)N=C(C=C3)Cl,O=c1cc(-c2ccccc2)[nH]c3nc(Cl)ccc13,"InChI=1S/C14H9ClN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)",JSCUNIPKMPNPFX-UHFFFAOYSA-N
BMGC_DG13097,BMG_DG171702,,,,
BMGC_DG13098,BMG_DG171707,CC(C)C[C@@H](C(=O)O)N,C([C@H](CC(C)C)N)(=O)O,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1",ROHFNLRQFUQHCH-YFKPBYRVSA-N
BMGC_DG13099,BMG_DG171712,,c1ccc2cc(ccc2c1)CC3=NCCN3,,VIXRKFBKWOHVBR-UHFFFAOYSA-N
BMGC_DG13100,BMG_DG171729,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Ca+2],C([O-])(=O)CN(CC(=O)[O-])CCN(CC([O-])=O)CC(=O)[O-].[Na+].[Ca+2].[Na+],"InChI=1S/C10H16N2O8.Ca.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;+2;2*+1/p-4",SHWNNYZBHZIQQV-UHFFFAOYSA-J
BMGC_DG13101,BMG_DG171740,C(CC(=O)O)C(C(=O)O)N,C(=O)(C(CCC(=O)O)N)O,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)",WHUUTDBJXJRKMK-UHFFFAOYSA-N
BMGC_DG13102,BMG_DG171744,,,,
BMGC_DG13103,BMG_DG171757,C1CSS[C@@H]1CCCCC(=O)O,S1SCC[C@H]1CCCCC(=O)O,"InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1",AGBQKNBQESQNJD-SSDOTTSWSA-N
BMGC_DG13104,BMG_DG171766,,c1(c(c(c(Br)c(c1Br)Br)Br)O)O,,OAUWOBSDSJNJQP-UHFFFAOYSA-N
BMGC_DG13105,BMG_DG171779,C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)O,O=c1c2ccccc2oc3c(O)cccc13,"InChI=1S/C13H8O3/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7,14H",KBQFPPUAIJHDCO-UHFFFAOYSA-N
BMGC_DG13106,BMG_DG171790,C1=CC=C(C=C1)N,Nc1ccccc1,"InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2",PAYRUJLWNCNPSJ-UHFFFAOYSA-N
BMGC_DG13107,BMG_DG171802,CC(=O)[O-].CC(=O)[O-].[Ca+2],[Ca+2].CC([O-])=O.CC([O-])=O,"InChI=1S/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",VSGNNIFQASZAOI-UHFFFAOYSA-L
BMGC_DG13108,BMG_DG171803,C1COCCN1CCO,C(CO)N1CCOCC1,"InChI=1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2",KKFDCBRMNNSAAW-UHFFFAOYSA-N
BMGC_DG13109,BMG_DG171822,CC(C)(C(=O)O)N,C(C(N)(C)C)(=O)O,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",FUOOLUPWFVMBKG-UHFFFAOYSA-N
BMGC_DG13110,BMG_DG171823,,,,
BMGC_DG13111,BMG_DG171824,,,,
BMGC_DG13112,BMG_DG171830,CC(C(=O)O)O,C(=O)(C(O)C)O,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)",JVTAAEKCZFNVCJ-UHFFFAOYSA-N
BMGC_DG13113,BMG_DG171836,CC(C)(C)OC=O,O(C(C)(C)C)C=O,"InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3",RUPAXCPQAAOIPB-UHFFFAOYSA-N
BMGC_DG13114,BMG_DG171853,CC(=O)OC1=C(C=C(C=C1)C=O)OC,c1(c(cc(C=O)cc1)OC)OC(C)=O,"InChI=1S/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,1-2H3",PZSJOBKRSVRODF-UHFFFAOYSA-N
BMGC_DG13115,BMG_DG171875,C1C(C(C(CC1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O,,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+",YDDUMTOHNYZQPO-FCXRPNKRSA-N
BMGC_DG13116,BMG_DG171890,CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O,c1c(c(c(cc1C(OCCCCCCCC)=O)O)O)O,"InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3",NRPKURNSADTHLJ-UHFFFAOYSA-N
BMGC_DG13117,BMG_DG171906,C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C,C(=C1CC[N+](CC1)(C)C)(c2ccccc2)c3ccccc3,"InChI=1S/C20H24N/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/q+1",LCTZPQRFOZKZNK-UHFFFAOYSA-N
BMGC_DG13118,BMG_DG171916,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,[C@]12(C(=CC(=O)CC1)CC[C@]3([C@]4([C@](C(CC4)=O)(C)CC[C@]23[H])[H])[H])C,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1",AEMFNILZOJDQLW-QAGGRKNESA-N
BMGC_DG13119,BMG_DG171929,CNC(=O)OC1=CC=CC2=CC=CC=C21,C(Oc1c2c(ccc1)cccc2)(=O)NC,"InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)",CVXBEEMKQHEXEN-UHFFFAOYSA-N
BMGC_DG13120,BMG_DG171940,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Fe+3],[Fe+3].[O-]C(CC(CC([O-])=O)(O)C(=O)[O-])=O,"InChI=1S/C6H8O7.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3",NPFOYSMITVOQOS-UHFFFAOYSA-K
BMGC_DG13121,BMG_DG171949,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)COP(=O)(O)O)O)c(nc(N)cc1)=O,"InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",IERHLVCPSMICTF-XVFCMESISA-N
BMGC_DG13122,BMG_DG171951,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O,O[C@H]1[C@@H](O[C@@H]([C@H]1O)COP(OP(=O)(O)O)(=O)O)n2c(=O)nc(cc2)N,"InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",ZWIADYZPOWUWEW-XVFCMESISA-N
BMGC_DG13123,BMG_DG171958,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,OP(OP(OP(O)(=O)O)(=O)O)(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O,"InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",PGAVKCOVUIYSFO-XVFCMESISA-N
BMGC_DG13124,BMG_DG171969,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O,[C@]1([C@@H]([C@H]([C@@H](O)[C@H](O1)CO)O)O)(O[C@H]2[C@@H]([C@@H](O)[C@@H](O[C@@H]2CO)O)O)[H],"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1",GUBGYTABKSRVRQ-DCSYEGIMSA-N
BMGC_DG13125,BMG_DG171970,C1=CC=C2C(=C1)C=C(O2)C=O,c12c(oc(c1)C=O)cccc2,InChI=1S/C9H6O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H,ADDZHRRCUWNSCS-UHFFFAOYSA-N
BMGC_DG13126,BMG_DG171975,,n1(ccnc1)CCCC,,MCMFEZDRQOJKMN-UHFFFAOYSA-N
BMGC_DG13127,BMG_DG171984,CCCCC1C2=CC=CC=C2C(=O)O1,CCCCC1OC(=O)c2c1cccc2,"InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3",HJXMNVQARNZTEE-UHFFFAOYSA-N
BMGC_DG13128,BMG_DG171988,CSCC[C@@H](C(=O)O)N,C(=O)([C@@H](N)CCSC)O,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",FFEARJCKVFRZRR-BYPYZUCNSA-N
BMGC_DG13129,BMG_DG171996,CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=C(C5=C4OC(=C(C5=O)CC=C(C)C)C6=C(C=C(C=C6)O)O)O)O,,"InChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3",DKBPTKFKCCNXNH-UHFFFAOYSA-N
BMGC_DG13130,BMG_DG172008,C1=CC=C(C=C1)C[C@@H](C(=O)O)N,c1ccc(cc1)C[C@@H](C(=O)O)N,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1",COLNVLDHVKWLRT-QMMMGPOBSA-N
BMGC_DG13131,BMG_DG172032,,N(C1CCc2cccc(c2C1)O)(CCC)C/C=C/I,,QBXHUZJZYDSLRH-RUDMXATFSA-N
BMGC_DG13132,BMG_DG172040,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+],C([O-])(=O)CN(CC(=O)[O-])CCN(CC([O-])=O)CC(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C10H16N2O8.4Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;/q;4*+1/p-4",UEUXEKPTXMALOB-UHFFFAOYSA-J
BMGC_DG13133,BMG_DG172042,,[Cl-].[Cl-].[Cl-].[Cl-].[Pt+2],,SVZRVTAEYVVVPM-UHFFFAOYSA-J
BMGC_DG13134,BMG_DG172072,O.O.O.O.O.[O-]S(=O)(=S)[O-].[Na+].[Na+],[O-]S(=O)([S-])=O.[Na+].O.[Na+].O.O.O.O,"InChI=1S/2Na.H2O3S2.5H2O/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);5*1H2/q2*+1;;;;;;/p-2",PODWXQQNRWNDGD-UHFFFAOYSA-L
BMGC_DG13135,BMG_DG172097,C[C@H](C(=O)O)O,C[C@@H](O)C(O)=O,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1",JVTAAEKCZFNVCJ-UWTATZPHSA-N
BMGC_DG13136,BMG_DG172101,CCC(C)C(C)(COC(=O)N)COC(=O)N,C(OCC(COC(=O)N)(C(CC)C)C)(=O)N,"InChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)",LEROTMJVBFSIMP-UHFFFAOYSA-N
BMGC_DG13137,BMG_DG172172,COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCNCC3)N)OC,n1c(nc(c2cc(c(cc12)OC)OC)N)N3CCNCC3,"InChI=1S/C14H19N5O2/c1-20-11-7-9-10(8-12(11)21-2)17-14(18-13(9)15)19-5-3-16-4-6-19/h7-8,16H,3-6H2,1-2H3,(H2,15,17,18)",APKHJGDGWQDBGM-UHFFFAOYSA-N
BMGC_DG13138,BMG_DG172184,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ga+3],[N+](=O)([O-])[O-].[Ga+3].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-],InChI=1S/Ga.3NO3/c;3*2-1(3)4/q+3;3*-1,CHPZKNULDCNCBW-UHFFFAOYSA-N
BMGC_DG13139,BMG_DG172203,,c1ccc(CNc2ncnc3ccccc23)cc1,,FVWANTDQRFSCAL-UHFFFAOYSA-N
BMGC_DG13140,BMG_DG172206,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC1)[H])(CCC(C4)=O)C)[H])(CC[C@@H]2C(=O)CO)[H])C,"InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1",ZESRJSPZRDMNHY-YFWFAHHUSA-N
BMGC_DG13141,BMG_DG172215,,O=c1[nH]nc(Cc2ccccc2)c3ccccc13,,JUCCMEHWBGPJKS-UHFFFAOYSA-N
BMGC_DG13142,BMG_DG172217,CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,c1-2c(cc(=O)c(cc1)OC)[C@@H](NC(=O)C)CCc3c2c(c(OC)c(c3)OC)OC;C(C)(N[C@H]1CCc2c(-c3ccc(c(cc13)=O)OC)c(c(c(c2)OC)OC)OC)=O,"InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1",IAKHMKGGTNLKSZ-INIZCTEOSA-N
BMGC_DG13143,BMG_DG172229,[O-]S(=O)(=O)[O-].[Cr+2],S(=O)(=O)([O-])[O-].[Cr+2],"InChI=1S/Cr.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",RYPRIXSYXLDSOA-UHFFFAOYSA-L
BMGC_DG13144,BMG_DG172230,COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O.Cl,c12c(c3ccccc3[nH]1)CCN4[C@]2(C[C@@]5([C@@H](C(=O)OC)[C@@H](O)CC[C@]5(C4)[H])[H])[H].Cl,"InChI=1S/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H/t12-,15-,17-,18-,19+;/m0./s1",PIPZGJSEDRMUAW-VJDCAHTMSA-N
BMGC_DG13145,BMG_DG172249,CC[N+](CC)(CC)CCOC1=C(C(=CC=C1)OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC.[I-].[I-].[I-],[I-].C(C)[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC.[I-].[I-],"InChI=1S/C30H60N3O3.3HI/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9;;;/h19-21H,10-18,22-27H2,1-9H3;3*1H/q+3;;;/p-3",REEUVFCVXKWOFE-UHFFFAOYSA-K
BMGC_DG13146,BMG_DG172276,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO)O)c(nc(cc1)N)=O,"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1",UHDGCWIWMRVCDJ-XVFCMESISA-N
BMGC_DG13147,BMG_DG172280,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,c1cn(c(nc1N)=O)[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O,"InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",PCDQPRRSZKQHHS-XVFCMESISA-N
BMGC_DG13148,BMG_DG172298,CC(C)N=C(N)/N=C(\N)/NC1=CC=C(C=C1)Cl,C(NC(=N)NC(C)C)(Nc1ccc(cc1)Cl)=N,"InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)",SSOLNOMRVKKSON-UHFFFAOYSA-N
BMGC_DG13149,BMG_DG172308,CC(C1=CC=CC=C1)NN,c1(C(NN)C)ccccc1,"InChI=1S/C8H12N2/c1-7(10-9)8-5-3-2-4-6-8/h2-7,10H,9H2,1H3",HHRZAEJMHSGZNP-UHFFFAOYSA-N
BMGC_DG13150,BMG_DG172309,CCC(=O)N1C2=CC=CC=C2N(C1=O)C3CCN(CC3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5,C(c1ccccc1)(c2ccccc2)(CCN3CCC(n4c5c(cccc5)n(c4=O)C(CC)=O)CC3)C#N,"InChI=1S/C31H32N4O2/c1-2-29(36)35-28-16-10-9-15-27(28)34(30(35)37)26-17-20-33(21-18-26)22-19-31(23-32,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,26H,2,17-22H2,1H3",FLKWNFFCSSJANB-UHFFFAOYSA-N
BMGC_DG13151,BMG_DG172320,,c1(c(cc(cc1I)CC(C(=O)O)N)I)O,,NYPYHUZRZVSYKL-UHFFFAOYSA-N
BMGC_DG13152,BMG_DG172321,CC(CC1=CC=CC=C1)NCCC#N,c1(CC(NCCC#N)C)ccccc1,"InChI=1S/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3",IQUFSXIQAFPIMR-UHFFFAOYSA-N
BMGC_DG13153,BMG_DG172331,,c1(C(c2ccccc2)(c3ccccc3)n4ccnc4)ccccc1,,NPZDCTUDQYGYQD-UHFFFAOYSA-N
BMGC_DG13154,BMG_DG172352,,[C@]12([C@@]([C@@H](C3=CC(=O)OC3)CC1)(CC[C@@]4([C@@]5([C@](C[C@H](CC5)O)(O)CC[C@]42[H])C=O)[H])C)O,,ODJLBQGVINUMMR-HZXDTFASSA-N
BMGC_DG13155,BMG_DG172373,,c1(c2c(ccc(c2)Cl)sc3c1cccc3)=O,,ZCDADJXRUCOCJE-UHFFFAOYSA-N
BMGC_DG13156,BMG_DG172376,,Nc1nc(-c2ccccc2)cc(-c3ccccc3)n1,,KZUCBEYDRUCBCS-UHFFFAOYSA-N
BMGC_DG13157,BMG_DG172402,C1=C(C(=O)NC(=O)N1)N(CCCl)CCCl,c1(c([nH]c([nH]c1)=O)=O)N(CCCl)CCCl,"InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)",IDPUKCWIGUEADI-UHFFFAOYSA-N
BMGC_DG13158,BMG_DG172407,C1=CC=C2C(=C1)C=CC=C2C=O,c12c(cccc1C=O)cccc2,InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,SQAINHDHICKHLX-UHFFFAOYSA-N
BMGC_DG13159,BMG_DG172414,CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,N12[C@@]([C@H](NC(c3c(noc3C)-c4ccccc4)=O)C1=O)(SC([C@@H]2C(=O)O)(C)C)[H],"InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1",UWYHMGVUTGAWSP-JKIFEVAISA-N
BMGC_DG13160,BMG_DG172415,C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C,[C@]1(C([C@@H](C)C[C@@H](C1)C)=O)([C@@H](CC2CC(NC(C2)=O)=O)O)[H],"InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1",YPHMISFOHDHNIV-FSZOTQKASA-N
BMGC_DG13161,BMG_DG172435,C1=CC(=O)OC2=CC3=C(C=CO3)C=C21,c12oc(=O)ccc1cc3ccoc3c2,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,ZCCUUQDIBDJBTK-UHFFFAOYSA-N
BMGC_DG13162,BMG_DG172440,CCC(=O)N(C1CCN(CC1C)CCC2=CC=CC=C2)C3=CC=CC=C3,,"InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3",MLQRZXNZHAOCHQ-UHFFFAOYSA-N
BMGC_DG13163,BMG_DG172471,CC(CC1=CC(=C(C=C1OC)Br)OC)N,c1(c(cc(Br)c(c1)OC)OC)CC(C)N,"InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3",FXMWUTGUCAKGQL-UHFFFAOYSA-N
BMGC_DG13164,BMG_DG172507,CCCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3,N(c1ccccc1)(C2CCN(CCc3ccccc3)CC2)C(=O)CCC,"InChI=1S/C23H30N2O/c1-2-9-23(26)25(21-12-7-4-8-13-21)22-15-18-24(19-16-22)17-14-20-10-5-3-6-11-20/h3-8,10-13,22H,2,9,14-19H2,1H3",QQOMYEQLWQJRKK-UHFFFAOYSA-N
BMGC_DG13165,BMG_DG172510,C(Cl)(Cl)Cl,C(Cl)(Cl)Cl,InChI=1S/CHCl3/c2-1(3)4/h1H,HEDRZPFGACZZDS-UHFFFAOYSA-N
BMGC_DG13166,BMG_DG172531,C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O,[C@@]12([C@@]3([C@@]([C@@]4(C[C@H](F)C=5[C@@]([C@]4([C@H](C3)O)F)(C=CC(=O)C5)C)[H])([H])C[C@]1(OC(O2)(C)C)[H])C)C(=O)CO,"InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1",FEBLZLNTKCEFIT-VSXGLTOVSA-N
BMGC_DG13167,BMG_DG172535,CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)OC,C1(N(c2ccccc2)C(CC)=O)(CCN(CCc3ccccc3)CC1)C(OC)=O,"InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3",YDSDEBIZUNNPOB-UHFFFAOYSA-N
BMGC_DG13168,BMG_DG172540,CC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)OC(=O)C)O,[C@]12([C@]([C@H](OC(=O)C)C[C@]1([C@@]3(CCC=4[C@@]([C@]3([C@H](C2)O)F)(C=CC(=O)C4)C)[H])[H])(C(COC(=O)C)=O)O)C,"InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1",XGMPVBXKDAHORN-RBWIMXSLSA-N
BMGC_DG13169,BMG_DG172564,,CC1(C)CC(=O)c2sc(N3CCOCC3)nc2C1,,DZXMARZBAUMWLK-UHFFFAOYSA-N
BMGC_DG13170,BMG_DG172566,CN1C(=O)[C@]23CC4=CC=C[C@@H]([C@H]4N2C(=O)[C@]1(SS3)CO)O,O=C1N(C)[C@]2(CO)SS[C@]13CC4=CC=C[C@H](O)[C@@]4([H])N3C2=O,"InChI=1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1",FIVPIPIDMRVLAY-RBJBARPLSA-N
BMGC_DG13171,BMG_DG172572,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+],[Na+].[O-]C(CC(CC([O-])=O)(O)C(=O)[O-])=O.[Na+].[Na+],"InChI=1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3",HRXKRNGNAMMEHJ-UHFFFAOYSA-K
BMGC_DG13172,BMG_DG172580,,c1c(cc-2c(c1)C(Oc3c2c(cc(c3)CCC)O)(C)C)C,,SVTKBAIRFMXQQF-UHFFFAOYSA-N
BMGC_DG13173,BMG_DG172583,C[C@@H](C(=O)C1=CC=CC=C1)N,C(=O)(c1ccccc1)[C@@H](N)C,"InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m0/s1",PUAQLLVFLMYYJJ-ZETCQYMHSA-N
BMGC_DG13174,BMG_DG172587,C(C(=O)O)Br,BrCC(O)=O,"InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)",KDPAWGWELVVRCH-UHFFFAOYSA-N
BMGC_DG13175,BMG_DG172597,CN(C)C=O,C(=O)N(C)C,"InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3",ZMXDDKWLCZADIW-UHFFFAOYSA-N
BMGC_DG13176,BMG_DG172598,CCC(=O)N(C1CCN(CC1)C(C)CC2=CC=CC=C2)C3=CC=CC=C3,N1(C(Cc2ccccc2)C)CCC(N(C(=O)CC)c3ccccc3)CC1,"InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-14-16-24(17-15-22)19(2)18-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3",NGTVDHYUFBKWID-UHFFFAOYSA-N
BMGC_DG13177,BMG_DG172603,CCC(=O)N(C1CCN(CC1C)CCC2=CC=CS2)C3=CC=CC=C3,,"InChI=1S/C21H28N2OS/c1-3-21(24)23(18-8-5-4-6-9-18)20-12-14-22(16-17(20)2)13-11-19-10-7-15-25-19/h4-10,15,17,20H,3,11-14,16H2,1-2H3",SRARDYUHGVMEQI-UHFFFAOYSA-N
BMGC_DG13178,BMG_DG172605,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC1)[H])(CCC(=O)C4)[H])[H])(CC[C@]2(C#C)O)[H])C,"InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1",VIKNJXKGJWUCNN-XGXHKTLJSA-N
BMGC_DG13179,BMG_DG172606,CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=C(C=C3)F,N(C(=O)CC)(c1ccc(F)cc1)C2CCN(CC2)CCc3ccccc3,"InChI=1S/C22H27FN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3",KXUBAVLIJFTASZ-UHFFFAOYSA-N
BMGC_DG13180,BMG_DG172612,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CCC(=O)C4,C=12[C@@]3([C@@]([C@@]4(CC[C@]([C@]4(CC3)C)(C#C)O)[H])([H])CCC1CC(CC2)=O)[H],"InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3/t16-,17-,18+,19+,20+/m1/s1",ICTXHFFSOAJUMG-SLHNCBLASA-N
BMGC_DG13181,BMG_DG172643,C1[C@H](C(=O)NO1)N,C1([C@@H](CON1)N)=O,"InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1",DYDCUQKUCUHJBH-UWTATZPHSA-N
BMGC_DG13182,BMG_DG172647,CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)C,c12c(nc3cc(ccc3c1)N(C)C)cc(cc2)N(C)C,"InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3",DPKHZNPWBDQZCN-UHFFFAOYSA-N
BMGC_DG13183,BMG_DG172649,COC1=C(C=CC(=C1)CO)O,O(c1c(O)ccc(CO)c1)C,"InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3",ZENOXNGFMSCLLL-UHFFFAOYSA-N
BMGC_DG13184,BMG_DG172651,C1CN1C2=CC(=O)C(=C(C2=O)N3CC3)N4CC4,C=1(C(C(N2CC2)=CC(C1N3CC3)=O)=O)N4CC4,"InChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2",PXSOHRWMIRDKMP-UHFFFAOYSA-N
BMGC_DG13185,BMG_DG172657,CC(C(=O)[O-])O.[NH4+],C([O-])(=O)C(O)C.[NH4+],"InChI=1S/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3",RZOBLYBZQXQGFY-UHFFFAOYSA-N
BMGC_DG13186,BMG_DG172665,CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I,c1(c2c(cccc2)oc1CC)C(c3cc(c(O)c(c3)I)I)=O,"InChI=1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3",CZCHIEJNWPNBDE-UHFFFAOYSA-N
BMGC_DG13187,BMG_DG172675,CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O,[C@]12([C@](CC[C@]1([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])[H])(C(=O)C)O)C,"InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1",DBPWSSGDRRHUNT-CEGNMAFCSA-N
BMGC_DG13188,BMG_DG172681,C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3,c12c(NCc3ccccc3)ncnc1nc[nH]2,"InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)",NWBJYWHLCVSVIJ-UHFFFAOYSA-N
BMGC_DG13189,BMG_DG172721,C1CCC(CC1)(C2=CC=CC=C2)N3CCCC3,C1(N2CCCC2)(c3ccccc3)CCCCC1,"InChI=1S/C16H23N/c1-3-9-15(10-4-1)16(11-5-2-6-12-16)17-13-7-8-14-17/h1,3-4,9-10H,2,5-8,11-14H2",FYOWWXMGDATDQY-UHFFFAOYSA-N
BMGC_DG13190,BMG_DG172725,C[N+]1(CC2=C(C1)C(=C(C(=C2Cl)Cl)Cl)Cl)CC[N+](C)(C)C,c12c(c(c(Cl)c(c1Cl)Cl)Cl)C[N+](C2)(CC[N+](C)(C)C)C,"InChI=1S/C14H20Cl4N2/c1-19(2,3)5-6-20(4)7-9-10(8-20)12(16)14(18)13(17)11(9)15/h5-8H2,1-4H3/q+2",IXWDUZLHWJKVPX-UHFFFAOYSA-N
BMGC_DG13191,BMG_DG172733,C1=CN(C2=NC=NC(=C21)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO)O)c3c(c(N)ncn3)cc1,"InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1",HDZZVAMISRMYHH-KCGFPETGSA-N
BMGC_DG13192,BMG_DG172736,,C(CCCCC[N+](C)(C)[O-])CCCC,,ZRKZFNZPJKEWPC-UHFFFAOYSA-N
BMGC_DG13193,BMG_DG172756,,S(C=C)(=O)(=O)O,,NLVXSWCKKBEXTG-UHFFFAOYSA-N
BMGC_DG13194,BMG_DG172766,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C,N12[C@@](SC([C@@H]1C(=O)O)(C)C)([H])[C@@H](C2=O)NC([C@@H](c3ccccc3)N)=O,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1",AVKUERGKIZMTKX-NJBDSQKTSA-N
BMGC_DG13195,BMG_DG172780,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,[C@H]([C@@H]([C@H](O)CO)O)([C@H](O)CO)O,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1",FBPFZTCFMRRESA-KVTDHHQDSA-N
BMGC_DG13196,BMG_DG172783,CN1CCC(CC1)(C#N)C2=CC=CC=C2,C1CC(C#N)(c2ccccc2)CCN1C,"InChI=1S/C13H16N2/c1-15-9-7-13(11-14,8-10-15)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3",ZLFQTZYFXYOGLS-UHFFFAOYSA-N
BMGC_DG13197,BMG_DG172789,C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O.Cl,n1([C@H]2[C@H]([C@H](O)[C@H](O2)CO)O)c(nc(cc1)N)=O.Cl,"InChI=1S/C9H13N3O5.ClH/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);1H/t4-,6-,7+,8-;/m1./s1",KCURWTAZOZXKSJ-JBMRGDGGSA-N
BMGC_DG13198,BMG_DG172798,C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O,n1([C@H]2[C@H]([C@H](O)[C@H](O2)CO)O)c(nc(cc1)N)=O,"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1",UHDGCWIWMRVCDJ-CCXZUQQUSA-N
BMGC_DG13199,BMG_DG172801,,P(=O)(OCCCCCCCCCC)(O)O,,SCIGVHCNNXTQDB-UHFFFAOYSA-N
BMGC_DG13200,BMG_DG172806,CCC(=O)C(=O)CC,C(C(CC)=O)(CC)=O,"InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3",KVFQMAZOBTXCAZ-UHFFFAOYSA-N
BMGC_DG13201,BMG_DG172807,C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-],c1(c(ccc(c1)SSc2cc(c([N+](=O)[O-])cc2)C(O)=O)[N+](=O)[O-])C(O)=O,"InChI=1S/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)",KIUMMUBSPKGMOY-UHFFFAOYSA-N
BMGC_DG13202,BMG_DG172815,C1=CC=NC(=C1)C(=O)O.C1=CC=NC(=C1)C(=O)O.C1=CC=NC(=C1)C(=O)O.[Cr],,"InChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-3-1-2-4-7-5;/h3*1-4H,(H,8,9);",GJYSUGXFENSLOO-UHFFFAOYSA-N
BMGC_DG13203,BMG_DG172818,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O,[C@@]1([C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)O)(O[C@H]2[C@@H]([C@@H](O)[C@@H](O[C@@H]2CO)O)O)[H],"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1",GUBGYTABKSRVRQ-QUYVBRFLSA-N
BMGC_DG13204,BMG_DG172824,,C(=C/c1cc(O)cc(O)c1)\c2ccc(OC)cc2,,IHVRWFJGOIWMGC-NSCUHMNNSA-N
BMGC_DG13205,BMG_DG172829,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O,n1(c([nH]c(c(c1)C(F)(F)F)=O)=O)[C@@H]2O[C@H](CO)[C@H](C2)O,"InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1",VSQQQLOSPVPRAZ-RRKCRQDMSA-N
BMGC_DG13206,BMG_DG172834,COC1=CC=CC=C1OCC2CNC(=O)O2,C1(NCC(O1)COc2c(OC)cccc2)=O,"InChI=1S/C11H13NO4/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8/h2-5,8H,6-7H2,1H3,(H,12,13)",ZMNSRFNUONFLSP-UHFFFAOYSA-N
BMGC_DG13207,BMG_DG172853,C1=CC=C(C=C1)C(=O)CBr,c1ccc(cc1)C(=O)CBr,"InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2",LIGACIXOYTUXAW-UHFFFAOYSA-N
BMGC_DG13208,BMG_DG172876,C(C[C@@H](C(=O)O)N)CN,C(=O)([C@@H](N)CCCN)O,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",AHLPHDHHMVZTML-BYPYZUCNSA-N
BMGC_DG13209,BMG_DG172906,[O-]P(=O)([O-])[O-].[K+].[K+].[K+],[O-]P([O-])(=O)[O-].[K+].[K+].[K+],"InChI=1S/3K.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3",LWIHDJKSTIGBAC-UHFFFAOYSA-K
BMGC_DG13210,BMG_DG172909,O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Fe+2],S([O-])([O-])(=O)=O.[Fe+2].O.O.O.O.O.O.O,"InChI=1S/Fe.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2",SURQXAFEQWPFPV-UHFFFAOYSA-L
BMGC_DG13211,BMG_DG172914,CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)O)O4)OC,,"InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3",ZKLXUUYLEHCAMF-UHFFFAOYSA-N
BMGC_DG13212,BMG_DG172920,C([C@@H](C(=O)O)N)C(=O)N,C(C(=O)N)[C@@H](C(=O)O)N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",DCXYFEDJOCDNAF-REOHCLBHSA-N
BMGC_DG13213,BMG_DG172940,CC1=CC=C(C=C1)S(=O)(=O)N,S(c1ccc(cc1)C)(=O)(=O)N,"InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)",LMYRWZFENFIFIT-UHFFFAOYSA-N
BMGC_DG13214,BMG_DG172943,C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O,,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17?,18?/m1/s1",FYGDTMLNYKFZSV-MRCIVHHJSA-N
BMGC_DG13215,BMG_DG172945,CCC(=O)C1=CC=C(C=C1)N,C(c1ccc(cc1)N)(=O)CC,"InChI=1S/C9H11NO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3",FSWXOANXOQPCFF-UHFFFAOYSA-N
BMGC_DG13216,BMG_DG172951,,C(c1ccc(cc1)O)(=O)CC,,RARSHUDCJQSEFJ-UHFFFAOYSA-N
BMGC_DG13217,BMG_DG172973,C1=C(NC=N1)C[C@@H](C(=O)O)N,n1c(C[C@@H](C(=O)O)N)c[nH]c1,"InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1",HNDVDQJCIGZPNO-YFKPBYRVSA-N
BMGC_DG13218,BMG_DG172984,C1CCC(CC1)(C2=CC=CS2)N3CCCCC3,C1(c2sccc2)(N3CCCCC3)CCCCC1,"InChI=1S/C15H23NS/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16/h7-8,13H,1-6,9-12H2",JUZZEWSCNBCFRL-UHFFFAOYSA-N
BMGC_DG13219,BMG_DG173007,CC(CC1=C(C=CC(=C1)OC)OC)N,c1(c(ccc(c1)OC)OC)CC(N)C,"InChI=1S/C11H17NO2/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3",LATVFYDIBMDBSY-UHFFFAOYSA-N
BMGC_DG13220,BMG_DG173011,C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C,[C@]12(C(=CC(CC1)=O)[C@@H](C)C[C@@]3([C@@]2(CC[C@@]4([C@@](OC(=O)C)(C(=O)C)CC[C@@]34[H])C)[H])[H])C,"InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1",PSGAAPLEWMOORI-PEINSRQWSA-N
BMGC_DG13221,BMG_DG173018,C1=CC=C2C(=C1)C3=C(N2)N=C(C=C3)N,c1ccc2c(c1)[nH]c3c2ccc(n3)N,"InChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)",FJTNLJLPLJDTRM-UHFFFAOYSA-N
BMGC_DG13222,BMG_DG173025,C1C(O1)CCl.C(CNCCNCCNCCN)N,,"InChI=1S/C8H23N5.C3H5ClO/c9-1-3-11-5-7-13-8-6-12-4-2-10;4-1-3-2-5-3/h11-13H,1-10H2;3H,1-2H2",GMRWGQCZJGVHKL-UHFFFAOYSA-N
BMGC_DG13223,BMG_DG173027,CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)C(C)O,,"InChI=1S/C42H65N11O12S2/c1-6-21(4)33-40(63)52-34(22(5)54)41(64)49-28(16-31(44)56)37(60)50-29(19-67-66-18-25(43)35(58)47-27(38(61)51-33)15-23-9-11-24(55)12-10-23)42(65)53-13-7-8-30(53)39(62)48-26(14-20(2)3)36(59)46-17-32(45)57/h9-12,20-22,25-30,33-34,54-55H,6-8,13-19,43H2,1-5H3,(H2,44,56)(H2,45,57)(H,46,59)(H,47,58)(H,48,62)(H,49,64)(H,50,60)(H,51,61)(H,52,63)",ZDRRIRUAESZNIH-UHFFFAOYSA-N
BMGC_DG13224,BMG_DG173029,C(C(CO)OP(=O)([O-])[O-])O.[Ca+2],P(OC(CO)CO)([O-])([O-])=O.[Ca+2],"InChI=1S/C3H9O6P.Ca/c4-1-3(2-5)9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2",UHHRFSOMMCWGSO-UHFFFAOYSA-L
BMGC_DG13225,BMG_DG173066,CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)OC,,"InChI=1S/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,12-13,15,18H,8-10H2,1-3H3",HGPQAWTZLJXCTC-UHFFFAOYSA-N
BMGC_DG13226,BMG_DG173067,C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)CN=[N+]=[N-])O)[N+](=O)[O-],c1([C@H]([C@H](NC(CN=[N+]=[N-])=O)CO)O)ccc([N+](=O)[O-])cc1,"InChI=1S/C11H13N5O5/c12-15-13-5-10(18)14-9(6-17)11(19)7-1-3-8(4-2-7)16(20)21/h1-4,9,11,17,19H,5-6H2,(H,14,18)/t9-,11-/m1/s1",SGRUZFCHLOFYHZ-MWLCHTKSSA-N
BMGC_DG13227,BMG_DG173068,C([C@H]([C@H]([C@@H]([C@H](C(C(=O)[O-])O)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(C(=O)[O-])O)O)O)O)O)O.[Ca+2],,"InChI=1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6?;/m11./s1",FATUQANACHZLRT-KMRXSBRUSA-L
BMGC_DG13228,BMG_DG173069,,CN(C)CCN1c2ccccc2Sc3ccc(Cl)cc31,,ILROKGAXBGPFAI-UHFFFAOYSA-N
BMGC_DG13229,BMG_DG173072,CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)C#N)CN(C)C,c12N(c3c(cccc3)Sc1ccc(c2)C#N)CC(CN(C)C)C,"InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3",SLFGIOIONGJGRT-UHFFFAOYSA-N
BMGC_DG13230,BMG_DG173073,CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)CCO,c12N(c3c(cccc3)Sc1ccc(c2)S(N(C)C)(=O)=O)CCCN4CCC(CCO)CC4,"InChI=1S/C24H33N3O3S2/c1-25(2)32(29,30)20-8-9-24-22(18-20)27(21-6-3-4-7-23(21)31-24)14-5-13-26-15-10-19(11-16-26)12-17-28/h3-4,6-9,18-19,28H,5,10-17H2,1-2H3",JOMHSQGEWSNUKU-UHFFFAOYSA-N
BMGC_DG13231,BMG_DG173075,CC(C)[C@@H](C(=O)O)N,C([C@@H](N)C(C)C)(=O)O,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1",KZSNJWFQEVHDMF-BYPYZUCNSA-N
BMGC_DG13232,BMG_DG173080,CNCCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl,N1(c2c(Sc3c1cccc3)ccc(c2)Cl)CCCNC,"InChI=1S/C16H17ClN2S/c1-18-9-4-10-19-13-5-2-3-6-15(13)20-16-8-7-12(17)11-14(16)19/h2-3,5-8,11,18H,4,9-10H2,1H3",YHFXGBOUSIKGMZ-UHFFFAOYSA-N
BMGC_DG13233,BMG_DG173085,C[C@H]([C@@H](C(=O)O)N)O,C[C@H]([C@@H](C(=O)O)N)O;[C@@H](C(=O)O)([C@H](O)C)N,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1",AYFVYJQAPQTCCC-GBXIJSLDSA-N
BMGC_DG13234,BMG_DG173094,C[N@@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N@+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-],c1ccccc1S([O-])(=O)=O.c1(c(cc2c(c1)CC[N@+](CCC(OCCCCCOC(CC[N@@+]3([C@@H](c4cc(c(cc4CC3)OC)OC)Cc5cc(c(cc5)OC)OC)C)=O)=O)([C@@H]2Cc6cc(OC)c(OC)cc6)C)OC)OC.c1ccccc1S([O-])(=O)=O;c1(OC)c(OC)cc2[C@H]([N@@+](CCc2c1)(C)CCC(OCCCCCOC(CC[N@@+]3([C@@H](c4cc(OC)c(cc4CC3)OC)Cc5cc(c(cc5)OC)OC)C)=O)=O)Cc6cc(c(cc6)OC)OC.c1ccccc1S(=O)(=O)[O-].c1ccccc1S(=O)(=O)[O-],"InChI=1S/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2/t42-,43-,54-,55-;;/m1../s1",XXZSQOVSEBAPGS-DONVQRBFSA-L
BMGC_DG13235,BMG_DG173095,C[N@@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N@+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C=C6)OC)OC)OC)OC)C,c1(c(cc2c(c1)CC[N@+](CCC(OCCCCCOC(CC[N@@+]3([C@@H](c4cc(c(cc4CC3)OC)OC)Cc5cc(c(cc5)OC)OC)C)=O)=O)([C@@H]2Cc6cc(OC)c(OC)cc6)C)OC)OC;c1(OC)c(OC)cc2[C@H]([N@@+](CCc2c1)(C)CCC(OCCCCCOC(CC[N@@+]3([C@@H](c4cc(OC)c(cc4CC3)OC)Cc5cc(c(cc5)OC)OC)C)=O)=O)Cc6cc(c(cc6)OC)OC,"InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2/t42-,43-,54-,55-/m1/s1",YXSLJKQTIDHPOT-LJCJQEJUSA-N
BMGC_DG13236,BMG_DG173111,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC,[C@]12([C@]([C@@]3(CCc4c([C@]3(CC1)[H])ccc(OC)c4)[H])(CC[C@]2(C#C)O)[H])C,"InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1",IMSSROKUHAOUJS-MJCUULBUSA-N
BMGC_DG13237,BMG_DG173115,CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C,n1(c(c2ccccc2nc1C)=O)-c3c(C)cccc3,"InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3",JEYCTXHKTXCGPB-UHFFFAOYSA-N
BMGC_DG13238,BMG_DG173124,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O,c1cc2c(cc1)C(c3c(C2=O)c(c(cc3)O)O)=O,"InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H",RGCKGOZRHPZPFP-UHFFFAOYSA-N
BMGC_DG13239,BMG_DG173125,CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=NO)CC[C@H]34,,"InChI=1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1",ISHXLNHNDMZNMC-XUDSTZEESA-N
BMGC_DG13240,BMG_DG173142,C1CCC(CC1)[C@@H]2C[C@H](N(C2)C(=O)CP(=O)(CCCCC3=CC=CC=C3)O)C(=O)O,[C@@H]1(CN(C(CP(O)(CCCCc2ccccc2)=O)=O)[C@@H](C1)C(O)=O)C3CCCCC3,"InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1",WOIWWYDXDVSWAZ-RTWAWAEBSA-N
BMGC_DG13241,BMG_DG173145,C1[C@@H]2[C@@H](C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F,c12n(cc(c(c1cc(c(N3C[C@@]4([H])[C@@](C3)([C@@H]4N)[H])n2)F)=O)C(=O)O)-c5c(cc(cc5)F)F,"InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16?",WVPSKSLAZQPAKQ-SOSAQKQKSA-N;WVPSKSLAZQPAKQ-CDMJZVDBSA-N
BMGC_DG13242,BMG_DG173146,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)C)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+],c1c(N)c2c(c(/N=N/c3c(cc(cc3)-c4ccc(\N=N\c5c(c6c(cc(S([O-])(=O)=O)cc6cc5S([O-])(=O)=O)N)O)c(c4)C)C)c(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)O.[Na+].[Na+].[Na+].[Na+],"InChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",GLNADSQYFUSGOU-UHFFFAOYSA-J;GLNADSQYFUSGOU-GPTZEZBUSA-J
BMGC_DG13243,BMG_DG173151,,[C@]12([C@]([C@@H](C)C[C@]1([C@@]3(CCC=4[C@@]([C@]3([C@H](C2)O)Cl)(C=CC(=O)C4)C)[H])[H])(C(CO)=O)OC(=O)CC)C,,OHYGPBKGZGRQKT-XGQKBEPLSA-N
BMGC_DG13244,BMG_DG173156,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)N)O)C)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)N)O,Nc1c2c(O)c(/N=N/c3c(C)cc(-c4ccc(/N=N/c5c(O)c6c(cc(S(O)(=O)=O)cc6cc5S(O)(=O)=O)N)c(C)c4)cc3)c(S(O)(=O)=O)cc2cc(c1)S(O)(=O)=O,"InChI=1S/C34H28N6O14S4/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)",ZBNARPCCDMHDDV-HVMBLDELSA-N;ZBNARPCCDMHDDV-UHFFFAOYSA-N
BMGC_DG13245,BMG_DG173172,COC1=C(C(=CC=C1)OC)C2=CC(=O)C3=C(O2)C=CC(=C3OC)OC,COc1cccc(OC)c1-c2cc(=O)c3c(OC)c(OC)ccc3o2,"InChI=1S/C19H18O6/c1-21-12-6-5-7-13(22-2)18(12)16-10-11(20)17-14(25-16)8-9-15(23-3)19(17)24-4/h5-10H,1-4H3",PBQMALAAFQMDSP-UHFFFAOYSA-N
BMGC_DG13246,BMG_DG173177,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=CC(=O)C=C[C@]34C,[C@]12(C(=CC(C=C1)=O)CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)(O)C)[H])[H])C,"InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1",XWALNWXLMVGSFR-HLXURNFRSA-N
BMGC_DG13247,BMG_DG173183,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl,c12[C@H](c3cc(Cl)c(cc3)Cl)CC[C@@H](c1cccc2)NC.Cl,"InChI=1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H/t12-,17-;/m0./s1",BLFQGGGGFNSJKA-XHXSRVRCSA-N
BMGC_DG13248,BMG_DG173184,CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl,c12c(c(Cl)cc(c1O)Cl)ccc(n2)C,"InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3",GPTXWRGISTZRIO-UHFFFAOYSA-N
BMGC_DG13249,BMG_DG173194,CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)C(=O)COC(=O)C,C1=C[C@@]2(C)C(=CC1=O)[C@H](C[C@@]3([C@@]2([C@@H](O)C[C@@]4(C)[C@@]3([H])CC[C@@]4(C(COC(=O)C)=O)OC(CC)=O)[H])[H])C,"InChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3/t15-,18-,19-,21-,24+,25-,26-,27-/m0/s1",DALKLAYLIPSCQL-YPYQNWSCSA-N
BMGC_DG13250,BMG_DG173197,CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C,,"InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22+/m0/s1",IMONTRJLAWHYGT-REGVOWLASA-N
BMGC_DG13251,BMG_DG173201,C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)N)CO,n1([C@H]2[C@H](O)C[C@@H](CO)O2)cnc3c(N)ncnc31,"InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1",OFEZSBMBBKLLBJ-BAJZRUMYSA-N
BMGC_DG13252,BMG_DG173217,C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N,N[C@@H](Cc1c[nH]c2c1cccc2)C(O)=O,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",QIVBCDIJIAJPQS-VIFPVBQESA-N
BMGC_DG13253,BMG_DG173221,,c12cc(ccc1CCC(C2)N(C/C=C/I)CCC)O,,RTMIJLQPWFKAFE-FPYGCLRLSA-N
BMGC_DG13254,BMG_DG173222,,CCC(=C(c1ccc(O)cc1)c2ccc(O)cc2)c3ccccc3,,BPKSDMHGDYTXLI-UHFFFAOYSA-N
BMGC_DG13255,BMG_DG173223,CC[C@H](C)[C@@H](C(=O)O)N,C([C@@H](N)[C@H](CC)C)(=O)O,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1",AGPKZVBTJJNPAG-WHFBIAKZSA-N
BMGC_DG13256,BMG_DG173224,CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3,,"InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3",TXUZVZSFRXZGTL-UHFFFAOYSA-N
BMGC_DG13257,BMG_DG173225,CCC1NC2=CC(=C(C=C2C(=O)N1)S(=O)(=O)N)Cl,S(c1cc2C(NC(Nc2cc1Cl)CC)=O)(=O)(=O)N,"InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)",AGMMTXLNIQSRCG-UHFFFAOYSA-N
BMGC_DG13258,BMG_DG173234,C1=C(C=C(C(=C1Cl)Cl)Cl)C2=C(C=C(C=C2Cl)Cl)Cl,c1c(-c2c(Cl)cc(Cl)cc2Cl)cc(Cl)c(Cl)c1Cl,InChI=1S/C12H4Cl6/c13-6-3-7(14)11(8(15)4-6)5-1-9(16)12(18)10(17)2-5/h1-4H,PITHIPNORFGJPI-UHFFFAOYSA-N
BMGC_DG13259,BMG_DG173248,C1=CC(=C(C=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl,c1c(c(c(cc1-c2cc(c(cc2)Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H,REHONNLQRWTIFF-UHFFFAOYSA-N
BMGC_DG13260,BMG_DG173270,COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)OC,O(c1cc(OC)cc2oc(-c3ccc(OC)cc3)c(OC)c(=O)c21)C,"InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)18-19(24-4)17(20)16-14(23-3)9-13(22-2)10-15(16)25-18/h5-10H,1-4H3",YZWIIEJLESXODL-UHFFFAOYSA-N
BMGC_DG13261,BMG_DG173273,,c1(c(c(c2c(o1)cc(cc2)OC)=O)OC)-c3cc(c(cc3)OC)OC,,NAMFTZBUZYVNST-UHFFFAOYSA-N
BMGC_DG13262,BMG_DG173280,,C(c1[nH]c(Br)c(Br)c1)(=O)NC/C=C/c2nc(N)[nH]c2,,QKJAXHBFQSBDAR-OWOJBTEDSA-N
BMGC_DG13263,BMG_DG173285,CCNC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C(=C(C=C1C)OC)C)C,c1(c(c(C)c(cc1C)OC)C)/C=C/C(=C/C=C/C(=C/C(=O)NCC)/C)/C,"InChI=1S/C23H31NO2/c1-8-24-23(25)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(26-7)20(6)19(21)5/h9-15H,8H2,1-7H3,(H,24,25)/b11-9+,13-12+,16-10+,17-14+",IYIYMCASGKQOCZ-DJRRULDNSA-N
BMGC_DG13264,BMG_DG173300,C(C(CS(=O)(=O)O)S)S,S(CC(S)CS)(O)(=O)=O,"InChI=1S/C3H8O3S3/c4-9(5,6)2-3(8)1-7/h3,7-8H,1-2H2,(H,4,5,6)",JLVSRWOIZZXQAD-UHFFFAOYSA-N
BMGC_DG13265,BMG_DG173313,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC,c1(c(c2c(c(c1)OC)c(cc(o2)-c3ccc(c(c3)OC)OC)=O)OC)OC,"InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(24-3)10-17(25-4)19(26-5)20(18)27-14/h6-10H,1-5H3",UYCWETIUOAGWIL-UHFFFAOYSA-N
BMGC_DG13266,BMG_DG173314,,C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(=O)N[C@@H](CO)C,,SQKRUBZPTNJQEM-FQPARAGTSA-N
BMGC_DG13267,BMG_DG173337,C[C@]([C@H]1C[C@@]23CCC1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O,,"InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29?/m1/s1",RMRJXGBAOAMLHD-MLLHIGKASA-N
BMGC_DG13268,BMG_DG173338,C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)O,N12C(=O)[C@@H](NC(=O)/C(=N/OCC(O)=O)/c3csc(N)n3)[C@@]1([H])SCC(C=C)=C2C(O)=O,"InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9+/t10-,14-/m1/s1",OKBVVJOGVLARMR-VINNURBNSA-N
BMGC_DG13269,BMG_DG173342,CC(OC(=O)C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CC=CO3)COC(=O)N,N12C(=O)[C@H]([C@]1(SCC(=C2C(OC(OC(=O)C)C)=O)COC(=O)N)[H])NC(/C(/c3occc3)=N\OC)=O,"InChI=1S/C20H22N4O10S/c1-9(25)33-10(2)34-19(28)15-11(7-32-20(21)29)8-35-18-14(17(27)24(15)18)22-16(26)13(23-30-3)12-5-4-6-31-12/h4-6,10,14,18H,7-8H2,1-3H3,(H2,21,29)(H,22,26)/b23-13-/t10?,14-,18-/m1/s1",KEJCWVGMRLCZQQ-YJBYXUATSA-N
BMGC_DG13270,BMG_DG173344,CC1=C(N(C2=CC=CC=[N+]12)/N=N/N3C4=CC=CC=[N+]4C(=C3C5=CC=CC=C5)C)C6=CC=CC=C6.[Br-].[Br-],c1c(cccc1)-c2c(C)[n+]3c(n2/N=N/n4c5[n+](c(c4-c6ccccc6)C)cccc5)cccc3.[Br-].[Br-],"InChI=1S/C28H24N6.2BrH/c1-21-27(23-13-5-3-6-14-23)33(25-17-9-11-19-31(21)25)29-30-34-26-18-10-12-20-32(26)22(2)28(34)24-15-7-4-8-16-24;;/h3-20H,1-2H3;2*1H/q+2;;/p-2/b30-29+;;",LBOZSXSPRGACHC-NFOZGECASA-L
BMGC_DG13271,BMG_DG173345,CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C,[C@]12([C@]/3([C@@](OC\C3=C/C=C/[C@@H]([C@@H](/C(/C)=C/C[C@@]4(C[C@@H](C[C@@]5(O[C@@]([C@@H](C)CC5)([C@H](CC)C)[H])O4)OC1=O)[H])O[C@@]6(O[C@@H](C)[C@@H]([C@H](C6)OC)O[C@@]7(O[C@@H](C)[C@@H]([C@H](C7)OC)O)[H])[H])C)([H])[C@@H](C(=C2)C)O)O)[H],"InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1",AZSNMRSAGSSBNP-XPNPUAGNSA-N
BMGC_DG13272,BMG_DG173351,C(C[C@@H](C(=O)O)N)CN=C(N)N,C(=N)(NCCC[C@@H](C(=O)O)N)N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",ODKSFYDXXFIFQN-BYPYZUCNSA-N
BMGC_DG13273,BMG_DG173356,,,,
BMGC_DG13274,BMG_DG173357,,,,
BMGC_DG13275,BMG_DG173360,,,,
BMGC_DG13276,BMG_DG173365,,,,
BMGC_DG13277,BMG_DG173367,,,,
BMGC_DG13278,BMG_DG173368,,,,
BMGC_DG13279,BMG_DG173369,,,,
BMGC_DG13280,BMG_DG173370,C1CC(=N)N(C1)CC2=C(C(=O)NC(=O)N2)Cl,c1([nH]c(c(c([nH]1)CN2C(CCC2)=N)Cl)=O)=O,"InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)",QQHMKNYGKVVGCZ-UHFFFAOYSA-N
BMGC_DG13281,BMG_DG173371,CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC3=NC(=CO3)C2=O)O)/C)C)C(C)C,N12[C@H]([C@H](S(CCN(CC)CC)(=O)=O)CC1)C(O[C@@H]([C@@H](/C=C/C(NC\C=C\C(=C\[C@H](CC(Cc3nc(C2=O)co3)=O)O)\C)=O)C)C(C)C)=O,"InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24-,25-,28-,31-,32-/m1/s1",SUYRLXYYZQTJHF-VMBLUXKRSA-N
BMGC_DG13282,BMG_DG173373,,,,
BMGC_DG13283,BMG_DG173374,,,,
BMGC_DG13284,BMG_DG173375,,,,
BMGC_DG13285,BMG_DG173380,,,,
BMGC_DG13286,BMG_DG173382,,,,
BMGC_DG13287,BMG_DG173386,CCCC(=O)O[C@H](COC(=O)CC)COP(=O)(O)OC[C@@H](C(=O)O)N,,"InChI=1S/C13H24NO10P/c1-3-5-12(16)24-9(6-21-11(15)4-2)7-22-25(19,20)23-8-10(14)13(17)18/h9-10H,3-8,14H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+/m1/s1",UNJJBGNPUUVVFQ-ZJUUUORDSA-N
BMGC_DG13288,BMG_DG173388,,C12=C3C(=NC4(N3)CCN(CC4)CC(C)C)c5c(C1=O)c(c(c6O[C@@](C(c56)=O)(O/C=C/[C@@H]([C@@H](C)[C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(N2)=O)/C)C)O)C)O)C)OC(=O)C)OC)C)C)O,,ATEBXHFBFRCZMA-VXTBVIBXSA-N
BMGC_DG13289,BMG_DG173389,C[C@@H]1C[C@@H]2[C@H](O2)/C=C\C=C\C(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1,Oc1cc(O)c(Cl)c2CC(/C=C/C=C\[C@H]3O[C@@H]3C[C@@H](C)OC(=O)c21)=O,"InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1",WYZWZEOGROVVHK-GTMNPGAYSA-N
BMGC_DG13290,BMG_DG173390,,,,
BMGC_DG13291,BMG_DG173392,,,,
BMGC_DG13292,BMG_DG173393,,,,
BMGC_DG13293,BMG_DG173395,,,,
BMGC_DG13294,BMG_DG173396,,,,
BMGC_DG13295,BMG_DG173399,,,,
BMGC_DG13296,BMG_DG173401,C[C@H](C1=CC(=CC=C1)C(=O)O)NC[C@@H](CP(=O)(CCCCCNC(=O)C2=CC(=C(C=C2O)N=[N+]=[N-])I)O)O,,"InChI=1S/C24H31IN5O7P/c1-15(16-6-5-7-17(10-16)24(34)35)28-13-18(31)14-38(36,37)9-4-2-3-8-27-23(33)19-11-20(25)21(29-30-26)12-22(19)32/h5-7,10-12,15,18,28,31-32H,2-4,8-9,13-14H2,1H3,(H,27,33)(H,34,35)(H,36,37)/t15-,18+/m1/s1",IHFUJPDKHJTHGQ-QAPCUYQASA-N
BMGC_DG13297,BMG_DG173402,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=C(C=C2)/C(=C/3\C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3C)/C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC)C.[Na+],,"InChI=1S/C47H49N3O7S2.Na/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56;/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56);/q;+1/p-1",RWVGQQGBQSJDQV-UHFFFAOYSA-M
BMGC_DG13298,BMG_DG173405,CC[C@]12CCN([C@H]([C@H]1C)C(=O)C3=C2C=C(C=C3)O)CC4CC4,,"InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17-,19+/m1/s1",SEJUQQOPVAUETF-LLSQANQASA-N
BMGC_DG13299,BMG_DG173406,C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C,c12c3O[C@@](C1=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H](O)[C@H](/C=C/C=C(\C(Nc4c(c(c2c(c4)O)c(c3C)O)O)=O)/C)C)C)O)C)OC(=O)C)C)OC)C,"InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1",HJYYPODYNSCCOU-ODRIEIDWSA-N
BMGC_DG13300,BMG_DG173407,C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@]3([C@H]2O)[C@@]6([C@@H](C5)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O,,"InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11+,15+,17+,18+,19-,20-/m1/s1",SQOJOAFXDQDRGF-MMQTXUMRSA-N
BMGC_DG13301,BMG_DG173409,,c1ccc(cc1)C(CCC[C@@H](C[C@@H](C(=O)O)N)C(=O)O)c2ccccc2,,DWLOVDOPFJPWNE-HKUYNNGSSA-N
BMGC_DG13302,BMG_DG173410,C1=CC=C2C=C(C=CC2=C1)/C=C/C[C@H](C[C@@H](C(=O)O)N)C(=O)O,C([C@@H](N)C[C@H](C(=O)O)C/C=C/c1cc2ccccc2cc1)(=O)O,"InChI=1S/C18H19NO4/c19-16(18(22)23)11-15(17(20)21)7-3-4-12-8-9-13-5-1-2-6-14(13)10-12/h1-6,8-10,15-16H,7,11,19H2,(H,20,21)(H,22,23)/b4-3+/t15-,16+/m1/s1",KNAYYBRIBNEIAL-WNEUIUNWSA-N
BMGC_DG13303,BMG_DG173413,CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)C(=O)O,C1C(C[C@@H](CNC([C@H](CCCCN)NS(C)(=O)=O)=O)C(=O)O)(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CCC1,"InChI=1S/C26H40N4O9S/c1-40(38,39)30-20(6-2-5-13-27)22(32)28-16-18(23(33)34)15-26(11-3-4-12-26)25(37)29-21(24(35)36)14-17-7-9-19(31)10-8-17/h7-10,18,20-21,30-31H,2-6,11-16,27H2,1H3,(H,28,32)(H,29,37)(H,33,34)(H,35,36)/t18-,20-,21-/m0/s1",LPUDGHQMOAHMMF-JBACZVJFSA-N
BMGC_DG13304,BMG_DG173414,CC(C)(C)S(=O)(=O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC3CCCCC3)[C@H]([C@H](C4CC4)O)O,C1C(CCCC1)C[C@H](NC([C@@H](NC([C@@H](CS(=O)(=O)C(C)(C)C)Cc2ccccc2)=O)Cc3nc[nH]c3)=O)[C@@H](O)[C@H](C4CC4)O,"InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1",UXIGZRQVLGFTOU-VQXQMPIVSA-N
BMGC_DG13305,BMG_DG173416,C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC,,"InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1",PFGWGEPQIUAZME-NXSMLHPHSA-N
BMGC_DG13306,BMG_DG173418,CC[C@@]1(CC2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O,,"InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28?,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1",OGWKCGZFUXNPDA-CUGARIAGSA-N
BMGC_DG13307,BMG_DG173452,[Se],[SeH2];[Se],InChI=1S/Se,SPVXKVOXSXTJOY-UHFFFAOYSA-N;BUGBHKTXTAQXES-UHFFFAOYSA-N
BMGC_DG13308,BMG_DG173453,C(C(C(=O)O)N)[Se],,"InChI=1S/C3H6NO2Se/c4-2(1-7)3(5)6/h2H,1,4H2,(H,5,6)",FDKWRPBBCBCIGA-UHFFFAOYSA-N
BMGC_DG13309,BMG_DG173454,C([C@@H](C(=O)O)N)[Se],[C@@H](C(O)=O)(C[SeH])N,"InChI=1S/C3H6NO2Se/c4-2(1-7)3(5)6/h2H,1,4H2,(H,5,6)/t2-/m0/s1",FDKWRPBBCBCIGA-REOHCLBHSA-N;ZKZBPNGNEQAJSX-REOHCLBHSA-N
BMGC_DG13310,BMG_DG173475,,CC(C)OP(=O)OC(C)C,,BLKXLEPPVDUHBY-UHFFFAOYSA-N
BMGC_DG13311,BMG_DG173492,C1=CC=C(C=C1)[Se],,InChI=1S/C6H5Se/c7-6-4-2-1-3-5-6/h1-5H,YWBHROUQJYHSOR-UHFFFAOYSA-N
BMGC_DG13312,BMG_DG173498,,CCOP(=O)OCC,,MJUJXFBTEFXVKU-UHFFFAOYSA-N
BMGC_DG13313,BMG_DG173518,[Ra],[Ra],InChI=1S/Ra,HCWPIIXVSYCSAN-UHFFFAOYSA-N
BMGC_DG13314,BMG_DG173557,CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)O,o1cccc1C(SCC2=C(N3[C@@](SC2)([H])[C@@H](C3=O)NC(/C(=N\OC)/c4csc(n4)N)=O)C(=O)O)=O,"InChI=1S/C19H17N5O7S3/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28)/b23-11-/t12-,16-/m1/s1",ZBHXIWJRIFEVQY-IHMPYVIRSA-N
BMGC_DG13315,BMG_DG173558,O.O.O.O.[Al],,InChI=1S/Al.4H2O/h;4*1H2,YVKMMZAFUFUAAX-UHFFFAOYSA-N
BMGC_DG13316,BMG_DG173565,CN,CN,"InChI=1S/CH5N/c1-2/h2H2,1H3",BAVYZALUXZFZLV-UHFFFAOYSA-N
BMGC_DG13317,BMG_DG173571,,,,
BMGC_DG13318,BMG_DG173599,,,,
BMGC_DG13319,BMG_DG173621,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)Cl,Clc1ccc(cc1)\C(\CCCCOC)=N\OCCN,"InChI=1S/C14H21ClN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11,16H2,1H3/b17-14+",XXPVSQRPGBUFKM-SAPNQHFASA-N
BMGC_DG13320,BMG_DG173622,C(CN)C[P+](=O)O,P(=O)(O)CCCN,InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1,MQIWYGZSHIXQIU-UHFFFAOYSA-O;ZTHNRNOOZGJLRR-UHFFFAOYSA-N
BMGC_DG13321,BMG_DG173623,COCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)COC)[H])NC(/C(/c3nc(N)sc3)=N\OC)=O,"InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1",WYUSVOMTXWRGEK-HBWVYFAYSA-N
BMGC_DG13322,BMG_DG173631,,[C@]12(c3c([C@@H](c4ccc(cc4)SC)CN2CCC1)cccc3)[H],,YVKDUIAAPBKHMJ-MOPGFXCFSA-N
BMGC_DG13323,BMG_DG173658,CCCl,CCCl,"InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3",HRYZWHHZPQKTII-UHFFFAOYSA-N
BMGC_DG13324,BMG_DG173681,C1C[C@@H]2CN(C(=O)C3=CC=CC(=C23)C1)[C@@H]4CN5CCC4CC5,N1(C(c2cccc3c2[C@@](C1)(CCC3)[H])=O)[C@@H]4CN5CCC4CC5,"InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1",CPZBLNMUGSZIPR-NVXWUHKLSA-N
BMGC_DG13325,BMG_DG173686,,,,
BMGC_DG13326,BMG_DG173695,CCOC(=O)C1=CN=CN1[C@@H](C)C2=CC=CC=C2,,"InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m0/s1",NPUKDXXFDDZOKR-NSHDSACASA-N
BMGC_DG13327,BMG_DG173709,,O(c1c(=O)c2c(cc(OC)cc2oc1-c3cc(OC)c(OC)c(OC)c3)OC)C,,CMRBCUQYNLDSKE-UHFFFAOYSA-N
BMGC_DG13328,BMG_DG173730,C1CC1,C1CC1,InChI=1S/C3H6/c1-2-3-1/h1-3H2,LVZWSLJZHVFIQJ-UHFFFAOYSA-N
BMGC_DG13329,BMG_DG173733,C1CO1,O1CC1,InChI=1S/C2H4O/c1-2-3-1/h1-2H2,IAYPIBMASNFSPL-UHFFFAOYSA-N
BMGC_DG13330,BMG_DG173752,CCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2[C@@H](CC4=CC(=O)C=C[C@]34C)Cl)O)C)C)OC(=O)CC,[C@]12([C@]([C@H](C)C[C@]1([C@@]3([C@@H](CC=4[C@@]([C@]3([C@H](C2)O)[H])(C=CC(=O)C4)C)Cl)[H])[H])(C(COC(=O)CC)=O)OC(=O)CC)C,"InChI=1S/C28H37ClO7/c1-6-22(33)35-14-21(32)28(36-23(34)7-2)15(3)10-18-24-19(29)12-16-11-17(30)8-9-26(16,4)25(24)20(31)13-27(18,28)5/h8-9,11,15,18-20,24-25,31H,6-7,10,12-14H2,1-5H3/t15-,18+,19-,20+,24-,25+,26+,27+,28+/m1/s1",DJHCCTTVDRAMEH-DUUJBDRPSA-N
BMGC_DG13331,BMG_DG173755,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)[O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)[O-])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)[O-])O)O)NS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-])NS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],[C@H]1([C@H]([C@]([H])(O[C@@H]([C@H]1O[C@]2([H])O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@]3([H])[C@@H]([C@@H](O)[C@H](O)[C@H](O3)COS(=O)(=O)[O-])NS(=O)([O-])=O)C([O-])=O)COS(=O)(=O)[O-])O[C@@H]4[C@@H](O[C@]([H])([C@@H]([C@H]4O)OS(=O)(=O)[O-])O[C@H]5[C@H](O)[C@H]([C@@H](OC)O[C@@H]5COS(=O)(=O)[O-])NS(=O)([O-])=O)C([O-])=O)NS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C31H53N3O49S8.10Na/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56;;;;;;;;;;/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;;;;;;;/q;10*+1/p-10/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-;;;;;;;;;;/m1........../s1",XEKSTYNIJLDDAZ-JASSWCPGSA-D
BMGC_DG13332,BMG_DG173765,CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)COC(=O)CC,[C@@]12([C@@](C(COC(=O)CC)=O)(CC[C@]2([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)[H])(CCC(=O)C4)C)[H])[H])OC(=O)CCC)C,"InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1",FOGXJPFPZOHSQS-AYVLZSQQSA-N
BMGC_DG13333,BMG_DG173770,C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)O)C)(C)C(=O)O,C=12[C@]([C@@]3(CC[C@@]4([C@@]([C@]3(C(C1)=O)[H])(CC[C@H](OC(=O)CCC(=O)O)C4(C)C)C)[H])C)(CC[C@@]5([C@]2(C[C@](C(=O)O)(C)CC5)[H])C)C,"InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1",OBZHEBDUNPOCJG-WBXJDKIVSA-N
BMGC_DG13334,BMG_DG173771,CC1=CC(=O)C(=CN1)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(O)=O)CSc3n(nnn3)C)[H])NC([C@H](NC(c4c(cc(nc4)C)O)=O)c5ccc(cc5)O)=O,"InChI=1S/C25H24N8O7S2/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40)/t17-,18-,23-/m1/s1",PWAUCHMQEXVFJR-PMAPCBKXSA-N
BMGC_DG13335,BMG_DG173774,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=CC(=N3)OC,c12c(ccc(n1)OC)[nH]c(n2)[S+]([O-])Cc3c(c(c(cn3)C)OC)C,"InChI=1S/C16H18N4O3S/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20)",ZBFDAUIVDSSISP-UHFFFAOYSA-N
BMGC_DG13336,BMG_DG173818,,Cc1cc(cc(c1O)C)/C=C/c2ccccc2,,PAHKYLUYTGBFNW-CMDGGOBGSA-N
BMGC_DG13337,BMG_DG173850,C=C(Cl)Cl,C(=C)(Cl)Cl,InChI=1S/C2H2Cl2/c1-2(3)4/h1H2,LGXVIGDEPROXKC-UHFFFAOYSA-N
BMGC_DG13338,BMG_DG173867,,C1C(c2c(C(C1)(C)C)cc(c(c2)C)/C(=C/c3ccc(s3)C(=O)O)/C)(C)C,,QPAMXNZWXFZISY-SDNWHVSQSA-N
BMGC_DG13339,BMG_DG173881,C1=C(C=C2C(=C1O)OC3=C(O2)C(=CC(=C3)Br)Br)Br,Oc1cc(Br)cc2c1Oc3cc(Br)cc(Br)c3O2,"InChI=1S/C12H5Br3O3/c13-5-1-7(15)11-9(3-5)18-12-8(16)2-6(14)4-10(12)17-11/h1-4,16H",XZPITRJUKODSMI-UHFFFAOYSA-N
BMGC_DG13340,BMG_DG173887,,,,
BMGC_DG13341,BMG_DG173888,,,,
BMGC_DG13342,BMG_DG173892,,C(CNC)c1c2c([nH]c1C(C=C)(C)C)cc(Br)cc2,,GQHSCJUTJKLZPX-UHFFFAOYSA-N
BMGC_DG13343,BMG_DG173895,C/C=C/C(=O)O,OC(/C=C/C)=O,"InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+",LDHQCZJRKDOVOX-NSCUHMNNSA-N
BMGC_DG13344,BMG_DG173903,,O=C(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)C,,JIGCTXHIECXYRJ-ILWBRPEASA-N
BMGC_DG13345,BMG_DG173911,COC1=C(C=CC(=C1)/C=C/C(=O)OCCC2=CC=C(C=C2)O)O,,"InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+",JMSFLLZUCIXALN-WEVVVXLNSA-N
BMGC_DG13346,BMG_DG173914,,c1(c(ccc(c1)CCC(/C=C/CCc2cc(c(cc2)O)O)=O)O)O,,VWHYFMQKJYFLCC-DUXPYHPUSA-N
BMGC_DG13347,BMG_DG173916,C(I)(I)I,C(I)(I)I,InChI=1S/CHI3/c2-1(3)4/h1H,OKJPEAGHQZHRQV-UHFFFAOYSA-N
BMGC_DG13348,BMG_DG173921,C1=CC=C(C=C1)/C=C/C=O,C(=C/c1ccccc1)\C=O,InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+,KJPRLNWUNMBNBZ-QPJJXVBHSA-N
BMGC_DG13349,BMG_DG173924,CCCCCCCC/C=C/CCCCCCCC(=O)O,C(CCCCCCC(=O)O)/C=C/CCCCCCCC,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+",ZQPPMHVWECSIRJ-MDZDMXLPSA-N
BMGC_DG13350,BMG_DG173928,C1=CC=C(C(=C1)/C=C/C(=O)O)O,C(\C(O)=O)=C/c1c(cccc1)O,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+",PMOWTIHVNWZYFI-AATRIKPKSA-N
BMGC_DG13351,BMG_DG173929,C1=CC(=CC(=C1)O)/C=C/C(=O)O,c1(cc(ccc1)O)/C=C/C(O)=O,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",KKSDGJDHHZEWEP-SNAWJCMRSA-N
BMGC_DG13352,BMG_DG173930,C1=CC(=CC=C1/C=C/C(=O)O)O,c1(ccc(O)cc1)/C=C/C(O)=O,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",NGSWKAQJJWESNS-ZZXKWVIFSA-N
BMGC_DG13353,BMG_DG173936,CC(=CCC/C(=C/CO)/C)C,C(=CCC/C(=C/CO)/C)(C)C,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+",GLZPCOQZEFWAFX-JXMROGBWSA-N
BMGC_DG13354,BMG_DG173937,COC(=O)/C=C/C(=O)OC,C(=O)(\C=C\C(OC)=O)OC,"InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+",LDCRTTXIJACKKU-ONEGZZNKSA-N
BMGC_DG13355,BMG_DG173941,,N1([C@@H]2C[C@H](OC(=O)c3ccccc3)C[C@H]1CC2)C,,XQJMXPAEFMWDOZ-BTTYYORXSA-N
BMGC_DG13356,BMG_DG173943,,O(C)c1cc(ccc1O)[C@H]2[C@@]3([C@](CO2)([C@H](OC3)c4cc(OC)c(cc4)O)[H])[H],,HGXBRUKMWQGOIE-WZBLMQSHSA-N
BMGC_DG13357,BMG_DG173956,,C(\C(=O)OCC)=C/c1ccccc1,,KBEBGUQPQBELIU-CMDGGOBGSA-N
BMGC_DG13358,BMG_DG173958,C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2,c1cc(ccc1)/C=C/C(c2ccccc2)=O,InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+,DQFBYFPFKXHELB-VAWYXSNFSA-N
BMGC_DG13359,BMG_DG173959,COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O,c1(c(c(cc(c1)/C=C/C(O)=O)OC)O)OC,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+",PCMORTLOPMLEFB-ONEGZZNKSA-N
BMGC_DG13360,BMG_DG173964,,c1(ccc(Cl)cc1)/C=C/C(O)=O,,GXLIFJYFGMHYDY-ZZXKWVIFSA-N
BMGC_DG13361,BMG_DG173966,,c1(/C=C(/C(O)=O)\C)ccccc1,,XNCRUNXWPDJHGV-BQYQJAHWSA-N
BMGC_DG13362,BMG_DG173969,CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3,C(=C(\c1ccccc1)/CC)(\c2ccc(cc2)OCCNC)/c3ccccc3,"InChI=1S/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3/b25-24-",NYDCDZSEEAUOHN-IZHYLOQSSA-N
BMGC_DG13363,BMG_DG173971,COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O,COc1cc(cc(c1OC)OC)/C=C/C(=O)N2CCC=CC2=O,"InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+",VABYUUZNAVQNPG-BQYQJAHWSA-N
BMGC_DG13364,BMG_DG173993,C[N+](C)(C)C,[N+](C)(C)(C)C,"InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1",QEMXHQIAXOOASZ-UHFFFAOYSA-N
BMGC_DG13365,BMG_DG173994,CC(=CCC/C(=C/C=O)/C)C,C(=C(/CCC=C(C)C)\C)\C=O,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+",WTEVQBCEXWBHNA-JXMROGBWSA-N
BMGC_DG13366,BMG_DG173996,CC1=C(C(CCC1)(C)C)/C=C/C(=O)C,C1(/C=C/C(=O)C)=C(CCCC1(C)C)C,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",PSQYTAPXSHCGMF-BQYQJAHWSA-N
BMGC_DG13367,BMG_DG173997,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,C1(/C=C/C(=C/C=C/C(=C/C=O)/C)/C)=C(CCCC1(C)C)C,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",NCYCYZXNIZJOKI-OVSJKPMPSA-N
BMGC_DG13368,BMG_DG174000,C1CCN(CC1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3,C(N1CCCCC1)(/C=C/C=C/c2cc3OCOc3cc2)=O,"InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+",MXXWOMGUGJBKIW-YPCIICBESA-N
BMGC_DG13369,BMG_DG174001,CCCCCC1=CC(=C2[C@@H]3CC(=CC[C@H]3C(OC2=C1)(C)C)C)O,c12[C@]3([C@](CC=C(C3)C)([H])C(Oc1cc(CCCCC)cc2O)(C)C)[H],"InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1",HCAWPGARWVBULJ-IAGOWNOFSA-N
BMGC_DG13370,BMG_DG174013,CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C,C(=C/CC/C(=C/CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)/C)(\CCC=C(C)C)/C,"InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+",YYGNTYWPHWGJRM-AAJYLUCBSA-N
BMGC_DG13371,BMG_DG174023,C(=C/Cl)\C(=O)O,,"InChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+",MHMUCYJKZUZMNJ-OWOJBTEDSA-N
BMGC_DG13372,BMG_DG174044,C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O,c1(C(/C=C/c2ccccc2)=O)c(cccc1)O,"InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10+",AETKQQBRKSELEL-ZHACJKMWSA-N
BMGC_DG13373,BMG_DG174045,C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O,c1(c(cc(cc1)O)O)C(/C=C/c2ccc(cc2)O)=O,"InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+",DXDRHHKMWQZJHT-FPYGCLRLSA-N
BMGC_DG13374,BMG_DG174061,,C(=C/[N+]([O-])=O)\c1ccc(O)cc1,,CTJKRKMPTRJAIT-AATRIKPKSA-N
BMGC_DG13375,BMG_DG174069,CC(C)(C)O,CC(C)(C)O,"InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3",DKGAVHZHDRPRBM-UHFFFAOYSA-N
BMGC_DG13376,BMG_DG174075,C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCC(=O)N3)C(=O)N,N1(C([C@@H](NC([C@H]2NC(=O)CC2)=O)Cc3nc[nH]c3)=O)[C@H](C(=O)N)CCC1,"InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1",XNSAINXGIQZQOO-SRVKXCTJSA-N
BMGC_DG13377,BMG_DG174079,C1=CC(=CC=C1C(=O)CCO)O,O=C(CCO)c1ccc(O)cc1,"InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2",LTEPZFZSPZASKJ-UHFFFAOYSA-N
BMGC_DG13378,BMG_DG174081,CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6,,"InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1",XLXSAKCOAKORKW-AQJXLSMYSA-N
BMGC_DG13379,BMG_DG174089,,,,
BMGC_DG13380,BMG_DG174108,C[C@H](CC1=CC=C(C=C1)OC)NC[C@@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O,c12c([nH]c(=O)cc1)c(ccc2[C@H](CN[C@H](C)Cc3ccc(cc3)OC)O)O,"InChI=1S/C21H24N2O4/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26)/t13-,19+/m1/s1",IHOXNOQMRZISPV-YJYMSZOUSA-N
BMGC_DG13381,BMG_DG174119,CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O)C,C(/C=C/c1ccc(cc1)O)(=O)c2c(c(c(cc2OC)O)CC=C(C)C)O,"InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+",ORXQGKIUCDPEAJ-YRNVUSSQSA-N
BMGC_DG13382,BMG_DG174134,C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OCCC(C)(C)O,[C@]12([C@](/C(=C/C=C/3\C([C@@H](O)C[C@@H](C3)O)=C)/CCC1)(CC[C@@]2([C@@H](OCCC(O)(C)C)C)[H])[H])C,"InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1",DTXXSJZBSTYZKE-ZDQKKZTESA-N
BMGC_DG13383,BMG_DG174138,,O=C(Nc1cccc(C(F)(F)F)c1)c2ccccc2NCc3ccncc3,,BLAFVGLBBOPRLP-UHFFFAOYSA-N
BMGC_DG13384,BMG_DG174150,,C(\C(C)=O)=N/O,,OVGLVOLWBBGQHS-DUXPYHPUSA-N
BMGC_DG13385,BMG_DG174171,,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)CSc3nn[nH]c3)[H])N,,MLOZJRLUNNFSGD-HZGVNTEJSA-N
BMGC_DG13386,BMG_DG174177,,N1[C@@H](CCC1)CO,,HVVNJUAVDAZWCB-YFKPBYRVSA-N
BMGC_DG13387,BMG_DG174181,,C(=C/c1ccccc1)\C(/C=C/c2ccccc2)=O,,WMKGGPCROCCUDY-PHEQNACWSA-N
BMGC_DG13388,BMG_DG174186,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C,,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/p-1/t11-,12+,14-/m1/s1",JGSARLDLIJGVTE-MBNYWOFBSA-M
BMGC_DG13389,BMG_DG174187,C1=CC=C2C(=C1)C(=O)NC(=O)N2,[nH]1c(c2c([nH]c1=O)cccc2)=O,"InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)",SDQJTWBNWQABLE-UHFFFAOYSA-N
BMGC_DG13390,BMG_DG174195,CC(C)(C#N)O,C(C#N)(C)(C)O,"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3",MWFMGBPGAXYFAR-UHFFFAOYSA-N
BMGC_DG13391,BMG_DG174199,C(=O)C(Cl)(Cl)Cl,C(C=O)(Cl)(Cl)Cl,"InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H",HFFLGKNGCAIQMO-UHFFFAOYSA-N
BMGC_DG13392,BMG_DG174201,,C(F)(F)(F)CO,,RHQDFWAXVIIEBN-UHFFFAOYSA-N
BMGC_DG13393,BMG_DG174203,C/C(=N\O)/C(=O)C,C(\C(C)=O)(=N/O)/C,"InChI=1S/C4H7NO2/c1-3(5-7)4(2)6/h7H,1-2H3/b5-3+",FSEUPUDHEBLWJY-HWKANZROSA-N
BMGC_DG13394,BMG_DG174217,C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)CSC4=NNN=C4,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)CSc3[nH]nnc3)[H])NC([C@@H](c4ccc(cc4)O)N)=O,"InChI=1S/C18H18N6O5S2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23)/t12-,13-,17-/m1/s1",UOCJDOLVGGIYIQ-PBFPGSCMSA-N
BMGC_DG13395,BMG_DG174223,,C(N1CCCCC1)(/C=C/c2cc3OCOc3cc2)=O,,BLPUOQGPBJPXRL-FNORWQNLSA-N
BMGC_DG13396,BMG_DG174246,,C(=C/c1ccc(OC)cc1)\c2ccc(OC)cc2,,CAWFCZIEFIQKRV-ONEGZZNKSA-N
BMGC_DG13397,BMG_DG174248,COC1=CC=CC=C1/C=C/C=O,c1(/C=C/C=O)c(OC)cccc1,"InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+",KKVZAVRSVHUSPL-GQCTYLIASA-N
BMGC_DG13398,BMG_DG174256,CC(=CCC1=C(C=C2C(=C1)C=C(O2)C3=CC(=CC(=C3)O)O)O)C,,"InChI=1S/C19H18O4/c1-11(2)3-4-12-5-13-8-18(23-19(13)10-17(12)22)14-6-15(20)9-16(21)7-14/h3,5-10,20-22H,4H2,1-2H3",WBSCSIABHGPAMC-UHFFFAOYSA-N
BMGC_DG13399,BMG_DG174257,CC1(C=CC2=C(C=C(C=C2O1)C3=CC4=C(O3)C=C(C=C4)O)O)C,,"InChI=1S/C19H16O4/c1-19(2)6-5-14-15(21)7-12(9-18(14)23-19)16-8-11-3-4-13(20)10-17(11)22-16/h3-10,20-21H,1-2H3",CHAAQDMHLLQJRO-UHFFFAOYSA-N
BMGC_DG13400,BMG_DG174258,C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F,[C@@]1(C#CC2CC2)(c3c(ccc(c3)Cl)NC(O1)=O)C(F)(F)F,"InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1",XPOQHMRABVBWPR-ZDUSSCGKSA-N
BMGC_DG13401,BMG_DG174260,CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O.CS(=O)(=O)O,N1([C@H](C(=O)NC(C)(C)C)C[C@@]2(CCCC[C@]2([H])C1)[H])C[C@@H](O)[C@H](CSc3ccccc3)NC(c4cccc(c4C)O)=O.S(=O)(=O)(O)C,"InChI=1S/C32H45N3O4S.CH4O3S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-5(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);1H3,(H,2,3,4)/t22-,23+,26-,27-,29+;/m0./s1",NQHXCOAXSHGTIA-SKXNDZRYSA-N
BMGC_DG13402,BMG_DG174262,CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O,N1([C@H](C(NC(C)(C)C)=O)C[C@]2([C@@](C1)(CCCC2)[H])[H])C[C@H]([C@H](CSc3ccccc3)NC(=O)c4cccc(c4C)O)O,"InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1",QAGYKUNXZHXKMR-HKWSIXNMSA-N
BMGC_DG13403,BMG_DG174267,,,,
BMGC_DG13404,BMG_DG174297,,c1c(cccc1)/C=C/C(=O)c2c(OC)cc(O)cc2O,,NYSZJNUIVUBQMM-BQYQJAHWSA-N
BMGC_DG13405,BMG_DG174301,COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2,c1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1,"InChI=1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+",KJHHAPASNNVTSN-KPKJPENVSA-N
BMGC_DG13406,BMG_DG174315,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O,O=C(OC[C@@H](O)COP(=O)(O)O)CCCCCCCCCCCCCCC,"InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)/t18-/m1/s1",YNDYKPRNFWPPFU-GOSISDBHSA-N
BMGC_DG13407,BMG_DG174325,CN(CC#C)CC1=CC2=CC=CC=C2OC3=CC=CC=C31,C1=C(c2c(cccc2)Oc3c1cccc3)CN(C)CC#C,"InChI=1S/C19H17NO/c1-3-12-20(2)14-16-13-15-8-4-6-10-18(15)21-19-11-7-5-9-17(16)19/h1,4-11,13H,12,14H2,2H3",QLMMOGWZCFQAPU-UHFFFAOYSA-N
BMGC_DG13408,BMG_DG174333,,c1(cc(ccn1)-c2c(nc([nH]2)SC)-c3ccc(cc3)F)NC(C)c4ccccc4,,VXPWQNBKEIVYIS-UHFFFAOYSA-N
BMGC_DG13409,BMG_DG174334,,Cn1c2c(c(c1)/C=C\3/c4c(NC3=O)ccc(c4)S(N)(=O)=O)cccc2,,MLKHXLFEYOOYEY-NVNXTCNLSA-N
BMGC_DG13410,BMG_DG174336,,O=C1C(=C(C(N1)=O)c2c3c(n(c2)CCCn4cncc4)cccc3)Nc5ccccc5,,KIWODJBCHRADND-UHFFFAOYSA-N
BMGC_DG13411,BMG_DG174338,,,,
BMGC_DG13412,BMG_DG174339,,,,
BMGC_DG13413,BMG_DG174340,,C(C)OC(=O)c1c([nH]c(c1C)/C=C/2\C(Nc3c2cccc3)=O)C,,PMUJUSJUVIXDQC-LCYFTJDESA-N
BMGC_DG13414,BMG_DG174341,C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,O1c2c(c(O)cc(c2)O)C[C@H]([C@@H]1c3cc(O)c(cc3)O)OC(c4cc(O)c(c(c4)O)O)=O,"InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1",LSHVYAFMTMFKBA-CTNGQTDRSA-N
BMGC_DG13415,BMG_DG174365,C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O.C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O,,"InChI=1S/2C21H39N7O12.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-5(2,3)4/h2*4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)/t2*5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+;;;/m00.../s1",QTENRWWVYAAPBI-YZTFXSNBSA-N
BMGC_DG13416,BMG_DG174389,CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CCC3C[C@H](CC(=O)O3)O)C,,"InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19?,20-,21-,23-/m0/s1",PCZOHLXUXFIOCF-KVVRZSONSA-N
BMGC_DG13417,BMG_DG174406,,c1(ccc(n[nH]1)S(=O)(=O)c2oc3c(c2C)cc(cc3)Cl)=O,,FXFPQPNUMWQRAO-UHFFFAOYSA-N
BMGC_DG13418,BMG_DG174407,,O=C(O)CCCNC(=O)NC1CCCCC1,,WSVFRGGLURJIMG-UHFFFAOYSA-N
BMGC_DG13419,BMG_DG174408,,O=C(O)CCCCCNC(=O)NC1CCCCC1,,KFTVEPYSUSWBRD-UHFFFAOYSA-N
BMGC_DG13420,BMG_DG174409,,,,
BMGC_DG13421,BMG_DG174411,,,,
BMGC_DG13422,BMG_DG174412,,,,
BMGC_DG13423,BMG_DG174413,CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4,c1(nccc(-c2c(nc(N)s2)C)n1)Nc3ccc(cc3)N4CCOCC4,"InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)",GPSZYOIFQZPWEJ-UHFFFAOYSA-N
BMGC_DG13424,BMG_DG174414,,Nc1ccccc1C(=O)CCC(=O)O,,BIASMBPERGWEBX-UHFFFAOYSA-N
BMGC_DG13425,BMG_DG174415,,,,
BMGC_DG13426,BMG_DG174417,,,,
BMGC_DG13427,BMG_DG174418,,C(n1c(=O)n(C[C@@H](C(O)=O)N)ccc1=O)c2c(C(O)=O)cccc2,,UUIYULWYHDSXHL-NSHDSACASA-N
BMGC_DG13428,BMG_DG174419,,,,
BMGC_DG13429,BMG_DG174432,C(=O)(C(Cl)(Cl)Cl)O,C(C(=O)O)(Cl)(Cl)Cl,"InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)",YNJBWRMUSHSURL-UHFFFAOYSA-N
BMGC_DG13430,BMG_DG174439,C1=CC=C(C=C1)COCCCC2=CN=CN2,C(OCCCc1cnc[nH]1)c2ccccc2,"InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)",WNWALBVQAAIULR-UHFFFAOYSA-N
BMGC_DG13431,BMG_DG174444,C1CCN(CC1)CC2CONC(=N2)C3=CN=CC=C3,C1CCCN(C1)CC2N=C(NOC2)c3cccnc3,"InChI=1S/C14H20N4O/c1-2-7-18(8-3-1)10-13-11-19-17-14(16-13)12-5-4-6-15-9-12/h4-6,9,13H,1-3,7-8,10-11H2,(H,16,17)",QWVRTSZDKPRPDF-UHFFFAOYSA-N
BMGC_DG13432,BMG_DG174448,C1CC1C(=O)C2=CC=C(C=C2)OCCCC3=CN=CN3,C(=O)(c1ccc(cc1)OCCCc2cnc[nH]2)C3CC3,"InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)",ACQBHJXEAYTHCY-UHFFFAOYSA-N
BMGC_DG13433,BMG_DG174462,,,,
BMGC_DG13434,BMG_DG174464,,c1cc2c(cc1)/C(/OC2=O)=C/CCC,,WMBOCUXXNSOQHM-FLIBITNWSA-N
BMGC_DG13435,BMG_DG174493,,C(F)(F)(F)c1nn(c(c1)-c2ccccc2)-c3ccc(S(N)(=O)=O)cc3,,MQPLMBSDWYIIID-UHFFFAOYSA-N
BMGC_DG13436,BMG_DG174495,,N=C(N)NCCC[C@H](NC(=O)CN)C(=O)O,,JLXVRFDTDUGQEE-YFKPBYRVSA-N
BMGC_DG13437,BMG_DG174496,,O=C(NCC(=O)O)[C@@H]1CCCN1,,RNKSNIBMTUYWSH-YFKPBYRVSA-N
BMGC_DG13438,BMG_DG174509,C1CN(CCN1CCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4)CCC5=CC(=CC=C5)F,Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)c1,"InChI=1S/C25H29FN6/c26-22-5-1-3-20(15-22)8-10-31-13-11-30(12-14-31)9-2-4-21-17-27-25-7-6-23(16-24(21)25)32-18-28-29-19-32/h1,3,5-7,15-19,27H,2,4,8-14H2",ZUTQCPBDRJBADG-UHFFFAOYSA-N
BMGC_DG13439,BMG_DG174510,CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCC3=C(C(=C(C=C3)C)O)C(=O)[O-])O.[Na+],O1[C@]([C@H](C([C@H]([C@H]([C@@H](CCc2c(c(O)c(cc2)C)C(=O)[O-])C)O)C)=O)CC)([C@@H](C)C[C@]1([C@@]3(O[C@@H](C)[C@@](CC3)(O)CC)[H])CC)[H].[Na+],"InChI=1S/C34H54O8.Na/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39;/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39);/q;+1/p-1/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+;/m1./s1",RDHDUYAKDYQPEW-HWLWSTNVSA-M
BMGC_DG13440,BMG_DG174528,C(CCN)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N,,"InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1",OAMLVOVXNKILLQ-BQBZGAKWSA-N
BMGC_DG13441,BMG_DG174641,C/C/1=C\CCC(=C)[C@@H]2CC([C@@H]2CC1)(C)C,,"InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14+/m0/s1",NPNUFJAVOOONJE-QWAJQTJBSA-N
BMGC_DG13442,BMG_DG174719,,c1ccc(/C=C(\C#N)/C(=O)O)cc1,,CDUQMGQIHYISOP-RMKNXTFCSA-N
BMGC_DG13443,BMG_DG174729,,C[C@H](c1ccccc1)N,,RQEUFEKYXDPUSK-SSDOTTSWSA-N
BMGC_DG13444,BMG_DG174732,C(C(F)(F)F)(C(F)(F)F)(F)F,C(C(F)(F)F)(C(F)(F)F)(F)F,"InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11",QYSGYZVSCZSLHT-UHFFFAOYSA-N
BMGC_DG13445,BMG_DG174738,[O-2].[O-2].[O-2].[O-2].[Fe+2].[Fe+3].[Fe+3],[Fe+3].[O-2].[Fe+2].[O-2].[Fe+3].[O-2].[O-2];[Fe+3].[O-2].[Fe+2].[O-2].[O-2].[O-2].[Fe+3],InChI=1S/3Fe.4O/q+2;2*+3;4*-2,WTFXARWRTYJXII-UHFFFAOYSA-N
BMGC_DG13446,BMG_DG174812,CC1=CC(=C(C=C1)N2CCNCC2)S(=O)(=O)O,c1(cc(c(N2CCNCC2)cc1)S(=O)(O)=O)C,"InChI=1S/C11H16N2O3S/c1-9-2-3-10(11(8-9)17(14,15)16)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3,(H,14,15,16)",DCDFLGVJWQIRGH-UHFFFAOYSA-N
BMGC_DG13447,BMG_DG174814,CCCCCCOC(=O)CCC(=O)CN.Cl,C(=O)(CCC(=O)CN)OCCCCCC.Cl,"InChI=1S/C11H21NO3.ClH/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12;/h2-9,12H2,1H3;1H",LZYXPFZBAZTOCH-UHFFFAOYSA-N
BMGC_DG13448,BMG_DG174815,CCCCCCOC(=O)CCC(=O)CN,C(=O)(CCC(=O)CN)OCCCCCC,"InChI=1S/C11H21NO3/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12/h2-9,12H2,1H3",RYQOILLJDKPETL-UHFFFAOYSA-N
BMGC_DG13449,BMG_DG174817,CC1=NC=CN1CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N,n1(CCC(c2ccccc2)(c3ccccc3)C(=O)N)ccnc1C,"InChI=1S/C20H21N3O/c1-16-22-13-15-23(16)14-12-20(19(21)24,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,15H,12,14H2,1H3,(H2,21,24)",SQKXYSGRELMAAU-UHFFFAOYSA-N
BMGC_DG13450,BMG_DG174818,,N=C(N)NC(c1cc(c(cc1C)-n2cccc2)S(=O)(=O)C)=O,,UADMBZFZZOBWBB-UHFFFAOYSA-N
BMGC_DG13451,BMG_DG174819,CC1=CN=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CC(=NC=C3)C4=NNN=N4)OCCO)OC5=CC=CC=C5OC,S(c1ncc(cc1)C)(Nc2nc(nc(c2Oc3ccccc3OC)OCCO)-c4cc(ncc4)-c5[nH]nnn5)(=O)=O,"InChI=1S/C25H23N9O6S/c1-15-7-8-20(27-14-15)41(36,37)32-24-21(40-19-6-4-3-5-18(19)38-2)25(39-12-11-35)29-22(28-24)16-9-10-26-17(13-16)23-30-33-34-31-23/h3-10,13-14,35H,11-12H2,1-2H3,(H,28,29,32)(H,30,31,33,34)",LFWCJABOXHSRGC-UHFFFAOYSA-N
BMGC_DG13452,BMG_DG174822,CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCCCC4)C5=CC=C(C=C5)O,c1(ccc2n(c(-c3ccc(cc3)O)c(C)c2c1)Cc4ccc(cc4)OCCN5CCCCC5)O,"InChI=1S/C29H32N2O3/c1-21-27-19-25(33)11-14-28(27)31(29(21)23-7-9-24(32)10-8-23)20-22-5-12-26(13-6-22)34-18-17-30-15-3-2-4-16-30/h5-14,19,32-33H,2-4,15-18,20H2,1H3",JICOGKJOQXTAIP-UHFFFAOYSA-N
BMGC_DG13453,BMG_DG174826,CC1(CC(CC(C1)(C)N)(C)C)C,C1(CC(CC(C1)(C)C)(C)C)(N)C,"InChI=1S/C11H23N/c1-9(2)6-10(3,4)8-11(5,12)7-9/h6-8,12H2,1-5H3",OGZQTTHDGQBLBT-UHFFFAOYSA-N
BMGC_DG13454,BMG_DG174827,CCC1=CC(=C(C=C1)NC2=C(C(=CC(=C2F)F)F)F)CC(=O)O,c1(cc(c(c(c1F)Nc2ccc(cc2CC(O)=O)CC)F)F)F,"InChI=1S/C16H13F4NO2/c1-2-8-3-4-12(9(5-8)6-13(22)23)21-16-14(19)10(17)7-11(18)15(16)20/h3-5,7,21H,2,6H2,1H3,(H,22,23)",ZEXGDYFACFXQPF-UHFFFAOYSA-N
BMGC_DG13455,BMG_DG174828,CCN(CC1=CC=CC=C1)C(=O)CN2C3=NC(=NC=C3N(C2=O)C)C4=CC=CC=C4,c1cc(ccc1)-c2ncc3n(c(n(CC(N(Cc4ccccc4)CC)=O)c3n2)=O)C,"InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3",NBMBIEOUVBHEBM-UHFFFAOYSA-N
BMGC_DG13456,BMG_DG174829,C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N,c1(c(n(-c2c3cccnc3ccc2)nc1)C4CC4)C(NC(N)=N)=O,"InChI=1S/C17H16N6O/c18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13/h1-5,8-10H,6-7H2,(H4,18,19,22,24)",GDXBRVCQGGKXJY-UHFFFAOYSA-N
BMGC_DG13457,BMG_DG174830,CC1=NC(=CC(=N1)OCCCCCN2CCCCC2)C3=CC=C(C=C3)F,C1CCCN(CCCCCOc2cc(nc(n2)C)-c3ccc(cc3)F)C1,"InChI=1S/C21H28FN3O/c1-17-23-20(18-8-10-19(22)11-9-18)16-21(24-17)26-15-7-3-6-14-25-12-4-2-5-13-25/h8-11,16H,2-7,12-15H2,1H3",SZSHJTJCJOWMHM-UHFFFAOYSA-N
BMGC_DG13458,BMG_DG174835,C1CN(CCN1CCC2=CC=C(C=C2)F)C(=O)C3=CC=CC4=C3NC=C4C#N,[nH]1cc(c2c1c(ccc2)C(N3CCN(CC3)CCc4ccc(cc4)F)=O)C#N,"InChI=1S/C22H21FN4O/c23-18-6-4-16(5-7-18)8-9-26-10-12-27(13-11-26)22(28)20-3-1-2-19-17(14-24)15-25-21(19)20/h1-7,15,25H,8-13H2",AQRLDDAFYYAIJP-UHFFFAOYSA-N
BMGC_DG13459,BMG_DG174845,C(=C/C(=O)[O-])\C(=O)[O-].[Fe+2],C(\C=C\C([O-])=O)([O-])=O.[Fe+2],"InChI=1S/C4H4O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/b2-1+;",PMVSDNDAUGGCCE-TYYBGVCCSA-L
BMGC_DG13460,BMG_DG174872,C[C@H]1/C=C/C=C/CC/C=C/C=C/C=C/C=C/C(CC2C(C(C[C@](O2)(CC(C(CCC(CC(CC(CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O,,"InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31?,32?,33?,34?,35?,36?,37?,38?,40?,41-,42+,43+,44-,46+,47+/m0/s1",VQOXZBDYSJBXMA-RKEBNKJGSA-N
BMGC_DG13461,BMG_DG174880,C1=CC(=C(C=C1C[C@@H](C(=O)O)N)F)O,c1(F)c(O)ccc(c1)C[C@@H](C(O)=O)N,"InChI=1S/C9H10FNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1",VIIAUOZUUGXERI-ZETCQYMHSA-N
BMGC_DG13462,BMG_DG174884,CN(C)CC[C@@H](C1=CC=C(C=C1)Br)C2=CC=CC=N2.C(=C\C(=O)O)\C(=O)O,[C@H](CCN(C)C)(c1ccc(Br)cc1)c2ccccn2.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C16H19BrN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1",SRGKFVAASLQVBO-DASCVMRKSA-N
BMGC_DG13463,BMG_DG174897,,c1(c(/C=C/c2c(S(=O)(=O)[O-])cc([N+](=O)[O-])cc2)ccc(c1)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],,SDCDTWFAOKXZHD-SEPHDYHBSA-L
BMGC_DG13464,BMG_DG174902,CSCC1CN(C(=O)O1)/N=C/C2=CC=C(O2)[N+](=O)[O-],c1(oc([N+](=O)[O-])cc1)/C=N/N2C(OC(C2)CSC)=O,"InChI=1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+",SRQKTCXJCCHINN-NYYWCZLTSA-N
BMGC_DG13465,BMG_DG174917,CO[Si](C)(C)O[Si](C)(C)C.O=[Si]=O,,"InChI=1S/C6H18O2Si2.O2Si/c1-7-10(5,6)8-9(2,3)4;1-3-2/h1-6H3;",AMTWCFIAVKBGOD-UHFFFAOYSA-N
BMGC_DG13466,BMG_DG174920,C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3OP(=O)(O)OC[C@H](C(=O)OCC/C=C(\C)/CC/C=C/C(C)(C)CCC(=C)C/C=C(\C)/CCC=C(C)C)O)C(=O)O)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(CCC6=O)O)O)O)O,,"InChI=1S/C70H109N4O35P/c1-31(2)16-14-18-33(4)20-21-34(5)24-26-69(9,10)25-13-12-17-32(3)19-15-27-97-62(92)40(80)29-99-110(95,96)109-67-57(58(108-68(71)93)70(11,94)59(107-67)61(90)91)106-64-45(73-37(8)77)48(83)55(42(102-64)30-98-65-52(87)49(84)46(81)41(28-75)101-65)104-63-44(72-36(7)76)47(82)54(35(6)100-63)103-66-53(88)50(85)51(86)56(105-66)60(89)74-43-38(78)22-23-39(43)79/h13,16,19-20,25,35,40-42,44-59,63-67,75,78,80-88,94H,5,12,14-15,17-18,21-24,26-30H2,1-4,6-11H3,(H2,71,93)(H,72,76)(H,73,77)(H,74,89)(H,90,91)(H,95,96)/b25-13+,32-19+,33-20+/t35-,40-,41-,42-,44-,45-,46-,47-,48-,49+,50+,51-,52-,53-,54-,55-,56+,57-,58-,59-,63+,64+,65-,66-,67-,70+/m1/s1",FUIOWSNNCWZETH-NAMXWVJMSA-N
BMGC_DG13467,BMG_DG174926,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@@H](C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co+2],,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+2;/p-2/t31-,34+,35+,36+,37-,41+,52+,53+,56?,57-,59+,60-,61-,62-;;/m0../s1",DQOCFCZRZOAIBN-PMEYKKDOSA-L
BMGC_DG13468,BMG_DG174968,,c1(/C=C/C(O)=O)ccco1,,ZCJLOOJRNPHKAV-ONEGZZNKSA-N
BMGC_DG13469,BMG_DG174979,CC1=CC=C(C=C1)/C=C/2\C3CCC(C2=O)(C3(C)C)C,,"InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3/b14-11+",HEOCBCNFKCOKBX-SDNWHVSQSA-N
BMGC_DG13470,BMG_DG174982,CC1=C(C(=C(C(=C1Cl)O)C/C=C(\C)/CC/C=C(\C)/[C@@H]2CC(=O)C(O2)(C)C)O)C=O,C(/C=C(/CC/C=C(\C)/[C@]1([H])CC(=O)C(C)(C)O1)\C)c2c(O)c(C=O)c(C)c(c2O)Cl,"InChI=1S/C23H29ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18,27-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+/t18-/m0/s1",VGYPZLGWVQQOST-JUERRSSISA-N
BMGC_DG13471,BMG_DG174986,,C(=C/C=C/C=C/C)\c1c(C=O)c(O)c(CC=C(C)C)cc1O,,ZKBCBIRBLMTSPC-ZAJAATJQSA-N
BMGC_DG13472,BMG_DG175012,,c1(C(=O)NC[C@H]2CCCN2CC)cc(ccc1OC)S(=O)(=O)N,,BGRJTUBHPOOWDU-LLVKDONJSA-N
BMGC_DG13473,BMG_DG175020,CCC(C)[C@@H]1[C@H](CC[C@@]2(O1)CC3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)OC7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C.C[C@H]1CC[C@]2(CC3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)OC7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)O[C@@H]1C(C)C,,"InChI=1S/C48H74O14.C47H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3;11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25?,26-,28-,30-,31-,33+,34?,35-,36-,37-,38?,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33?,34-,35-,36-,37?,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1",SPBDXSGPUHCETR-VHJJIYNUSA-N
BMGC_DG13474,BMG_DG175032,CC#CCC(C)[C@@H](/C=C/C1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O,,"InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18?,19-,20+,21+/m0/s1",HIFJCPQKFCZDDL-SGSAMSKHSA-N
BMGC_DG13475,BMG_DG175041,CC1(C[C@@H]1C(=O)N/C(=C\CCCCSC[C@@H](C(=O)O)N)/C(=O)O)C,[C@H]1(C(C)(C)C1)C(N/C(/C(=O)O)=C\CCCCSC[C@@H](C(=O)O)N)=O,"InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1",DHSUYTOATWAVLW-WFVMDLQDSA-N
BMGC_DG13476,BMG_DG175062,C1=CN(C(=O)N=C1N)[C@H]2/C(=C/F)/[C@@H]([C@H](O2)CO)O,n1([C@H]2/C(/[C@H](O)[C@H](O2)CO)=C/F)c(nc(cc1)N)=O,"InChI=1S/C10H12FN3O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-3,6,8-9,15-16H,4H2,(H2,12,13,17)/b5-3+/t6-,8+,9-/m1/s1",GFFXZLZWLOBBLO-ASKVSEFXSA-N
BMGC_DG13477,BMG_DG175068,,n1c(/C=C/C(=O)O)c(OCCCCCCCCc2ccc(cc2)OC)ccc1CSCc3cc(C(=O)O)ccc3,,QQUXZUFSDIOIFJ-HTXNQAPBSA-N
BMGC_DG13478,BMG_DG175103,CCCCC/C=C\C/C=C\CCCCCCCC(=O)N,O=C(N)CCCCCCC/C=C\C/C=C\CCCCC,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)/b7-6-,10-9-",SFIHQZFZMWZOJV-HZJYTTRNSA-N
BMGC_DG13479,BMG_DG175117,C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O,[C@@]12([C@@]3([C@@]([C@@]4(CCC=5[C@@]([C@]4([C@H](C3)O)F)(C=CC(=O)C5)C)[H])([H])C[C@]1(OC(O2)(C)C)[H])C)C(=O)CO,"InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",YNDXUCZADRHECN-JNQJZLCISA-N
BMGC_DG13480,BMG_DG175123,CN(C/C=C\CN)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O,n1(c2c(c(ncn2)N)nc1)[C@@H]3O[C@H](CN(C)C/C=C\CN)[C@H]([C@H]3O)O,"InChI=1S/C15H23N7O3/c1-21(5-3-2-4-16)6-9-11(23)12(24)15(25-9)22-8-20-10-13(17)18-7-19-14(10)22/h2-3,7-9,11-12,15,23-24H,4-6,16H2,1H3,(H2,17,18,19)/b3-2-/t9-,11-,12-,15-/m1/s1",YWJCZGDVJQLZET-GGHFOJMISA-N
BMGC_DG13481,BMG_DG175128,CCCCC[C@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC=C=CCCC(=O)OC)O)O)O,[C@H]1(/C=C/[C@@](CCCCC)(O)C)[C@@H](C[C@@H]([C@@H]1CC=C=CCCC(OC)=O)O)O,"InChI=1S/C22H36O5/c1-4-5-10-14-22(2,26)15-13-18-17(19(23)16-20(18)24)11-8-6-7-9-12-21(25)27-3/h7-8,13,15,17-20,23-24,26H,4-5,9-12,14,16H2,1-3H3/b15-13+/t6?,17-,18-,19+,20-,22-/m1/s1",GNIYHUSSKSFYBD-MFZPGRHISA-N
BMGC_DG13482,BMG_DG175135,CC1=C(C(CC=C1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,C1=CCC(C(=C1C)/C=C/C(=C/C=C/C(=C/CO)/C)/C)(C)C,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,21H,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",XWCYDHJOKKGVHC-OVSJKPMPSA-N
BMGC_DG13483,BMG_DG175141,,c1cc(ncc1\C=C\C(NCCCCN2CCN(C(c3ccccc3)c4ccccc4)CC2)=O)C,,DVYCNKDRINREMB-WUKNDPDISA-N
BMGC_DG13484,BMG_DG175142,,n1cccc(c1)\C(=C\CCCC(O)=O)\c2ccc(cc2)CCNS(c3ccc(cc3)Cl)(=O)=O,,LGHLGTHRJNIRCA-ZXKDJJQISA-N
BMGC_DG13485,BMG_DG175143,CC/C=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O,[C@@H]1([C@]2([H])N(C1=O)C(=C(CS2)COC(N)=O)C(=O)O)NC(/C(/c3csc(n3)N)=C\CC)=O,"InChI=1S/C17H19N5O6S2/c1-2-3-8(9-6-30-16(18)20-9)12(23)21-10-13(24)22-11(15(25)26)7(4-28-17(19)27)5-29-14(10)22/h3,6,10,14H,2,4-5H2,1H3,(H2,18,20)(H2,19,27)(H,21,23)(H,25,26)/b8-3-/t10-,14-/m1/s1",HJJRIJDTIPFROI-NVKITGPLSA-N
BMGC_DG13486,BMG_DG175146,COC(=O)[C@@H]1[C@H](CC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O,C([C@@H]1[C@@H](O)CC[C@@]2([H])[C@]1([H])C[C@]3([H])N(C2)CCc4c5ccccc5[nH]c43)(=O)OC,"InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19+/m1/s1",BLGXFZZNTVWLAY-DIRVCLHFSA-N
BMGC_DG13487,BMG_DG175185,C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CCC\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C,,"InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24?,25-,26+,27-/m1/s1",LWQQLNNNIPYSNX-OUSHRDKSSA-N
BMGC_DG13488,BMG_DG175188,CCC(CC)(CC(=O)NC1=CC=CC(=C1)/C=C/C2=NC(=CS2)C3CCC3)C(=O)O,n1c(csc1/C=C/c2cc(NC(CC(C(=O)O)(CC)CC)=O)ccc2)C3CCC3,"InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+",BZMKNPGKXJAIDV-VAWYXSNFSA-N
BMGC_DG13489,BMG_DG175191,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3C(C([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-]C1[C@@H]([C@@H]([C@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3],,"InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+3/p-2/t31?,34-,35-,36-,37+,41-,52?,53?,56?,57+,59-,60+,61+,62+;4?,6-,7-,10-;/m10./s1",OAJLVMGLJZXSGX-VCABRDNDSA-L
BMGC_DG13490,BMG_DG175201,C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)/C,c1c2n(ccc1C)c3c(n2)c4c5c(c3NC(=O)/C(=C\C=C\[C@@H]([C@H](O)[C@H]([C@H]([C@H]([C@@]([C@@H]([C@H](/C=C/O[C@]6(Oc(c(c5O)C)c4C6=O)C)OC)C)(OC(C)=O)[H])C)O)C)C)/C)O,"InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1",NZCRJKRKKOLAOJ-XRCRFVBUSA-N
BMGC_DG13491,BMG_DG175208,,O=C1SC[C@]([C@]2(C[C@]3([H])OC(=O)/C=C(\CC/C=C\[C@H](CC[C@]([H])(C3)O2)C)/C)O)([H])N1,,NSHPHXHGRHSMIK-JRIKCGFMSA-N
BMGC_DG13492,BMG_DG175209,C[C@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)O)O)O)OC)/C,,"InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23+,24-,25-,26-,27+,28-,30-,31+,32+,33+,35+/m0/s1",XDHNQDDQEHDUTM-JQWOJBOSSA-N
BMGC_DG13493,BMG_DG175210,[CH3-].CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3],,"InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;-1;+3/p-2",ZFLASALABLFSNM-UHFFFAOYSA-L
BMGC_DG13494,BMG_DG175217,C[C@H]1CCC[C@@H](N1C)/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C[C@H]4[C@@H]2[C@@H](OC4=O)C,[C@]12(C[C@@]3([C@](CCCC3)([C@@H](/C=C/[C@@H]4N([C@@H](C)CCC4)C)[C@]2([C@H](C)OC1=O)[H])[H])[H])[H],"InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+/m0/s1",FMPNFDSPHNUFOS-LPJDIUFZSA-N
BMGC_DG13495,BMG_DG175219,,NCCO/C=C/[C@H](N)C(=O)O,,USGUVNUTPWXWBA-JRIXXDKMSA-N
BMGC_DG13496,BMG_DG175252,,C1(C[C@@H](O)[C@@H]([C@H]1CCCCCCC(=O)O)/C=C/CC(O)(CCCC)C)=O,,CNWGPXZGIIOYDL-MKYGPDKMSA-N
BMGC_DG13497,BMG_DG175348,CCCCCC[C@H](C/C=C\CCCCCCCC(=O)O)O,C(=O)(O)CCCCCCC/C=C\C[C@H](O)CCCCCC,"InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1",WBHHMMIMDMUBKC-QJWNTBNXSA-N
BMGC_DG13498,BMG_DG175365,CCCCCCCC/C=C\CCCCCCCC(=O)NCC(=O)O,,"InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h9-10H,2-8,11-18H2,1H3,(H,21,22)(H,23,24)/b10-9-",HPFXACZRFJDURI-KTKRTIGZSA-N
BMGC_DG13499,BMG_DG175388,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CSC=C3)C(=O)O)C(=O)O)C.C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O,,"InChI=1S/C15H16N2O6S2.C8H9NO5/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);1,6-7,10H,2-3H2,(H,12,13)/b;4-1-/t7-,8-,9+,12-;6-,7-/m11/s1",XWMVMWTVLSLJGY-FAJPTIRJSA-N
BMGC_DG13500,BMG_DG175423,C[C@H]1CCC[C@H](CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1)O,O[C@@H]1CCC[C@@H](OC(=O)c2c(/C=C/CCC1)cc(O)cc2O)C,"InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m0/s1",FPQFYIAXQDXNOR-PMRAARRBSA-N
BMGC_DG13501,BMG_DG175431,CC1=C(C(CCC1)(C)C)CC/C(=C/CCC2=CC[C@@H](O[C@H]2O)C3=CC(=O)O[C@H]3O)/C,C=1([C@@H](OC(C1)=O)O)[C@@H]2O[C@@H](O)C(=CC2)CC/C=C(/CCC3=C(CCCC3(C)C)C)\C,"InChI=1S/C25H36O5/c1-16(10-12-20-17(2)8-6-14-25(20,3)4)7-5-9-18-11-13-21(29-23(18)27)19-15-22(26)30-24(19)28/h7,11,15,21,23-24,27-28H,5-6,8-10,12-14H2,1-4H3/b16-7+/t21-,23-,24-/m1/s1",FGJIDQWRRLDGDB-CPIXEKRISA-N
BMGC_DG13502,BMG_DG175438,,,,
BMGC_DG13503,BMG_DG175440,CCCCN(CCCC)CC(C1=CC(=CC\2=C1C3=C(/C2=C/C4=CC=C(C=C4)Cl)C=C(C=C3)Cl)Cl)O,C(CN(CCCC)CCCC)(O)c1cc(Cl)cc/2c1-c3c(cc(cc3)Cl)\C2=C\c4ccc(Cl)cc4,"InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-",DYLGFOYVTXJFJP-MYYYXRDXSA-N
BMGC_DG13504,BMG_DG175441,C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C,O=C1N(C)C(=C)C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](/C=C/C(=C/[C@H](C)[C@@H](OC)Cc2ccccc2)/C)[C@H](C)C(=O)N[C@@H](C(=O)O)CC1,"InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1",DIAQQISRBBDJIM-DRSCAGMXSA-N
BMGC_DG13505,BMG_DG175465,C(/C(=C/C(=O)O)/C(=O)O)C(=O)O,C(\CC(O)=O)(=C/C(O)=O)/C(O)=O,"InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-",GTZCVFVGUGFEME-IWQZZHSRSA-N
BMGC_DG13506,BMG_DG175504,,C1CCC(C)(C)C(=C1C)/C=C/C(=C/C=C/C(=C/C(NCCO)=O)/C)/C,,JOSHOGBFUULHNI-LYKFAKFTSA-N
BMGC_DG13507,BMG_DG175509,C1CN(CCN1CCC2=CC=C(C=C2)C(=O)O)C/C=C/C3=CC=C(C=C3)Cl,c1(CCN2CCN(C/C=C/c3ccc(Cl)cc3)CC2)ccc(C(O)=O)cc1,"InChI=1S/C22H25ClN2O2/c23-21-9-5-18(6-10-21)2-1-12-24-14-16-25(17-15-24)13-11-19-3-7-20(8-4-19)22(26)27/h1-10H,11-17H2,(H,26,27)/b2-1+",YQIGCNRBMYEJID-OWOJBTEDSA-N
BMGC_DG13508,BMG_DG175511,C1=CC(=CC=C1CC/C(=C\F)/CN)F,C(=C\F)(\CCc1ccc(F)cc1)/CN,"InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+",VXLBSYHAEKDUSU-JXMROGBWSA-N
BMGC_DG13509,BMG_DG175520,CC1=C(SC=N1)/C=C\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C,N12C(=O)[C@H]([C@]1(SCC(=C2C(OCOC(C(C)(C)C)=O)=O)/C=C\c3c(ncs3)C)[H])NC(\C(\c4nc(N)sc4)=N/OC)=O,"InChI=1S/C25H28N6O7S3/c1-12-15(41-10-27-12)7-6-13-8-39-21-17(29-19(32)16(30-36-5)14-9-40-24(26)28-14)20(33)31(21)18(13)22(34)37-11-38-23(35)25(2,3)4/h6-7,9-10,17,21H,8,11H2,1-5H3,(H2,26,28)(H,29,32)/b7-6-,30-16-/t17-,21-/m1/s1",AFZFFLVORLEPPO-UVYJNCLZSA-N
BMGC_DG13510,BMG_DG175524,C(=C\Cl)\C(=O)O,,"InChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1-",MHMUCYJKZUZMNJ-UPHRSURJSA-N
BMGC_DG13511,BMG_DG175525,C/C(=C/C(=O)O)/C(=O)O,C(=C\C(O)=O)(\C(=O)O)/C,"InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-",HNEGQIOMVPPMNR-IHWYPQMZSA-N
BMGC_DG13512,BMG_DG175549,,Oc1c2c(cc(O)c1)CC(=O)O[C@@H](C)CCC\C=C\C2=O,,AVIRMQMUBGNCKS-RWCYGVJQSA-N
BMGC_DG13513,BMG_DG175554,CC[C@H]1[C@H]([C@@H](C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)/C=C/C)C)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)OC(=O)N)O)O)O)OC)/C)C)O,,"InChI=1S/C46H75NO14/c1-13-16-34-28(7)37(58-38-22-33(48)43(31(10)57-38)60-45(47)53)23-46(54,61-34)30(9)41(51)29(8)42-35(55-11)18-15-17-24(3)19-26(5)39(49)32(14-2)40(50)27(6)20-25(4)21-36(56-12)44(52)59-42/h13,15-18,20-21,26-35,37-43,48-51,54H,14,19,22-23H2,1-12H3,(H2,47,53)/b16-13+,18-15+,24-17+,25-20+,36-21-/t26-,27-,28-,29+,30+,31-,32+,33-,34-,35+,37-,38+,39+,40-,41-,42-,43-,46-/m1/s1",DJZCTUVALDDONK-HQMSUKCRSA-N
BMGC_DG13514,BMG_DG175566,CC(=CCC/C(=C\CO)/C)C,C(\C)(=C/CO)/CCC=C(C)C,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-",GLZPCOQZEFWAFX-YFHOEESVSA-N
BMGC_DG13515,BMG_DG175587,,C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(=O)NC(CO)C,,SQKRUBZPTNJQEM-ZKWNWVNESA-N
BMGC_DG13516,BMG_DG175598,C1CC1CN2CC[C@]34[C@@H]5C(=O)/C(=C\C6=CC=CC=C6)/C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O,,"InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12-/t21-,25+,26+,27-/m1/s1",WXOUFNFMPVMGFZ-XEGDMQTMSA-N
BMGC_DG13517,BMG_DG175599,CC(=O)N(C/C=C/C1=CC(=CC=C1)OC2=CC=CC=C2)O,O(c1cc(/C=C/CN(C(C)=O)O)ccc1)c2ccccc2,"InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+",CEUDWZXMLMKPNN-SOFGYWHQSA-N
BMGC_DG13518,BMG_DG175600,CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)OC(=O)C)O,[C@@]12([C@@]([C@@H](C(=O)O)O[C@]([C@@H]([C@H]1OC(/C=C/[C@H](C[C@H](CC)C)C)=O)O)(O2)CCC([C@H]([C@@H](Cc3ccccc3)C)OC(=O)C)=C)(C(=O)O)O)C(=O)O,"InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1",DFKDOZMCHOGOBR-NCSQYGPNSA-N
BMGC_DG13519,BMG_DG175602,COC1=CC=C(C=C1)/C=C/CCCCOC2=C(C(=CC=C2)OCCCCC(=O)O)CCC(=O)O,,"InChI=1S/C27H34O7/c1-32-22-15-13-21(14-16-22)9-4-2-3-6-19-33-24-10-8-11-25(23(24)17-18-27(30)31)34-20-7-5-12-26(28)29/h4,8-11,13-16H,2-3,5-7,12,17-20H2,1H3,(H,28,29)(H,30,31)/b9-4+",JOPSSWGWLCLPPF-RUDMXATFSA-N
BMGC_DG13520,BMG_DG175610,CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)O)N)/C)/C)C,OC([C@H](CSC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)N)=O,"InChI=1S/C18H31NO2S/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-22-13-17(19)18(20)21/h7,9,11,17H,5-6,8,10,12-13,19H2,1-4H3,(H,20,21)/b15-9+,16-11+/t17-/m0/s1",SYSLNQMKLROGCL-BCYUYYMPSA-N
BMGC_DG13521,BMG_DG175612,CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCC/C=C/C(=O)O)O)O,[C@H]1(CC([C@@H]([C@H]1/C=C/[C@H](C[C@H](CCCC)C)O)CCCC/C=C/C(=O)O)=O)O,"InChI=1S/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12+/t16-,17+,18+,19+,21+/m0/s1",OJZYRQPMEIEQFC-UAWLTFRCSA-N
BMGC_DG13522,BMG_DG175618,CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@@](CO)(C(=O)O)N)O)O,[C@@]([C@H]([C@H](O)C/C=C/CCCCCCC(=O)CCCCCC)O)(C(=O)O)(N)CO,"InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1",ZZIKIHCNFWXKDY-GNTQXERDSA-N
BMGC_DG13523,BMG_DG175634,,c1(c(O)c(C(/C=C/c2ccc(cc2)O)=O)ccc1OC)CC=C(C)C,,XDKYBPGIBVMHHB-KPKJPENVSA-N
BMGC_DG13524,BMG_DG175639,,C/C(/C=C/c1c(C)cc(O)c(C)c1C)=C\C=C\C(\C)=C\C(=O)O,,CAAFTBWHFUPDGX-OFCLTBKTSA-N
BMGC_DG13525,BMG_DG175644,,O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)NC(=O)/C=C/C(/C)=C/[C@@H](C)C(c2ccc(N(C)C)cc2)=O,,YECWTLGLNDDPGE-PIFXLSLCSA-N
BMGC_DG13526,BMG_DG175650,,C(C1=CC(=O)OC1O)C/C=C(/C=O)\C/C=C(\C)/CCC=C(C)C,,HTSFZYLQNVNCQC-QJPCTQKWSA-N
BMGC_DG13527,BMG_DG175662,,c1c(c(cc(c1O)C(/C=C/c2ccc(c(c2)O)O)=O)CC=C(C)C)O,,FEALTYYKRMRXTG-QPJJXVBHSA-N
BMGC_DG13528,BMG_DG175669,CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O,CCCCCCCC/C=C/CCCCCCCC(OC[C@H]1O[C@@H](n2c(nc(cc2)N)=O)[C@H]([C@@H]1O)O)=O,"InChI=1S/C27H45N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)35-20-21-24(32)25(33)26(36-21)30-19-18-22(28)29-27(30)34/h9-10,18-19,21,24-26,32-33H,2-8,11-17,20H2,1H3,(H2,28,29,34)/b10-9+/t21-,24-,25+,26-/m1/s1",FLFGNMFWNBOBGE-FNNZEKJRSA-N
BMGC_DG13529,BMG_DG175678,,C(N[C@@H](CCCc1cnccc1)C)(\C=C\C=C(\c2ccc(cc2)OC)/CCCCC)=O,,HLCHRSFXEXAMLU-YDQNRGGDSA-N
BMGC_DG13530,BMG_DG175679,,C(c1[nH]cc(Br)c1)(=O)NC/C=C/c2c[nH]c(N)n2,,KHJREOQCERRAME-OWOJBTEDSA-N
BMGC_DG13531,BMG_DG175694,,c1(ccc(cc1)F)\C=C\c2cc(C)c(c(c2)C)O,,HJGJDFXTHQBVNV-ONEGZZNKSA-N
BMGC_DG13532,BMG_DG175701,CCN(C/C=C\C1=CC(=C(C=C1)C2CCCCC2)Cl)C3CCCCC3.Cl,Cl.C1(CCCCC1)N(CC)C/C=C\c2cc(c(cc2)C3CCCCC3)Cl,"InChI=1S/C23H34ClN.ClH/c1-2-25(21-13-7-4-8-14-21)17-9-10-19-15-16-22(23(24)18-19)20-11-5-3-6-12-20;/h9-10,15-16,18,20-21H,2-8,11-14,17H2,1H3;1H/b10-9-;",HKHPCMBPASXYGP-KVVVOXFISA-N
BMGC_DG13533,BMG_DG175703,CCCCCCCCC/C(=C\C1=C(C(=O)C(=C(C1=O)OC)OC)C)/C(=O)O,C=1(C(C(=C(OC)C(C1C)=O)OC)=O)/C=C(\CCCCCCCCC)/C(O)=O,"InChI=1S/C21H30O6/c1-5-6-7-8-9-10-11-12-15(21(24)25)13-16-14(2)17(22)19(26-3)20(27-4)18(16)23/h13H,5-12H2,1-4H3,(H,24,25)/b15-13+",AALSSIXXBDPENJ-FYWRMAATSA-N
BMGC_DG13534,BMG_DG175717,CC(C)C1=C(C=C(C=C1O)/C=C/C2=CC=CC=C2)O,c1(c(c(cc(c1)/C=C/c2ccccc2)O)C(C)C)O,"InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+",ZISJNXNHJRQYJO-CMDGGOBGSA-N
BMGC_DG13535,BMG_DG175738,CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O,Cc1c(cc2c(c1)n(c3-c(n2)c([nH]c(n3)=O)=O)C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@@H]([C@@H]4O)O)n5c6c(nc5)c(ncn6)N)C,"InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1",VWWQXMAJTJZDQX-UYBVJOGSSA-N
BMGC_DG13536,BMG_DG175740,CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,c12-c(nc3c(n1C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)cc(c(C)c3)C)c(=O)[nH]c(n2)=O,"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1",FVTCRASFADXXNN-SCRDCRAPSA-N
BMGC_DG13537,BMG_DG175747,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O,,"InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-",XSXIVVZCUAHUJO-HZJYTTRNSA-N
BMGC_DG13538,BMG_DG175755,,[C@@H]1(O)[C@@](O[C@H]([C@H]([C@H]1O)O)C)(O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@H](O)CO)O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O[C@]3(O[C@@]([H])([C@@H]([C@H](O)CO)O)[C@H](NC(=O)C)[C@@H](O)C3)C(=O)O)[C@H]2O)[H],,LAQPKDLYOBZWBT-NYLDSJSYSA-N
BMGC_DG13539,BMG_DG175758,,C1(CC[C@@]2([C@]3(CC[C@@]4(/C(/C(C[C@]4([C@@]3(CCC2=C1)[H])[H])=O)=C\C)C)[H])C)=O,,WDXRGPWQVHZTQJ-AUKWTSKRSA-N
BMGC_DG13540,BMG_DG175762,C1CCN(CC1)C(=O)/C=C/C=C/CC/C=C/C2=CC3=C(C=C2)OCO3,,"InChI=1S/C21H25NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h2,4,6-7,10-13,16H,1,3,5,8-9,14-15,17H2/b4-2+,10-6+,11-7+",KAYVDASZRFLFRZ-PQECNABGSA-N
BMGC_DG13541,BMG_DG175769,,c1cc(C[C@H](C)N)ccc1O,,GIKNHHRFLCDOEU-ZETCQYMHSA-N
BMGC_DG13542,BMG_DG175779,,,,
BMGC_DG13543,BMG_DG175781,,C(=C/C(=C/C=C/C(=C\C(Nc1ccc(O)cc1)=O)/C)/C)\C=2C(C)(C)CCCC2C,,AKJHMTWEGVYYSE-DRYRGIGMSA-N
BMGC_DG13544,BMG_DG175784,C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)\C)OC)OC(=O)N)\C)C)O)OC,,"InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9+,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1",AYUNIORJHRXIBJ-HTLBVUBBSA-N
BMGC_DG13545,BMG_DG175785,CCCCCCCCC/C=C/C=C/C(=O)NCC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1[C@H](CO)O)NC2=NC=NC3=C2NC=N3)O)O,[C@@H]1([C@@](O[C@H](Nc2c3c([nH]cn3)ncn2)[C@@H]([C@@H]1O)O)([C@@H](O)CO)[H])NC(=O)CNC(/C=C/C=C/CCCCCCCCC)=O,"InChI=1S/C28H43N7O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(38)29-14-20(39)34-21-23(40)24(41)28(42-25(21)18(37)15-36)35-27-22-26(31-16-30-22)32-17-33-27/h10-13,16-18,21,23-25,28,36-37,40-41H,2-9,14-15H2,1H3,(H,29,38)(H,34,39)(H2,30,31,32,33,35)/b11-10+,13-12+/t18-,21+,23+,24+,25-,28-/m0/s1",LQIPDFIUPOYMPR-BKYURJJWSA-N
BMGC_DG13546,BMG_DG175788,COC(=O)[C@@H]1[C@H]2CC[C@H](N2C/C=C/I)C[C@@H]1C3=CC=C(C=C3)F,[C@H]1([C@@H]2N([C@@H](CC2)C[C@@H]1c3ccc(F)cc3)C/C=C/I)C(=O)OC,"InChI=1S/C18H21FINO2/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)21(14)10-2-9-20/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2+/t14-,15+,16+,17-/m0/s1",GTQLIPQFXVKRKJ-UNSMHXHVSA-N
BMGC_DG13547,BMG_DG175791,CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O,C(C)(=C)[C@H]1[C@@H](C=C(C)CC1)c2c(O)cc(CCCCC)cc2O,"InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1",QHMBSVQNZZTUGM-ZWKOTPCHSA-N
BMGC_DG13548,BMG_DG175792,C1CCN2C[C@@H]3C[C@H]([C@H]2C1)CN4[C@H]3CCCC4,[C@]12(CN3[C@](CCCC3)([C@@](C1)(CN4CCCC[C@]42[H])[H])[H])[H],"InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1",SLRCCWJSBJZJBV-ZQDZILKHSA-N
BMGC_DG13549,BMG_DG175802,CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC2=CC=C(C=C2)F)CC(=O)[C@H](C(C)C)NC(=O)C3=NOC(=C3)C,c1(noc(c1)C)C(N[C@H](C(C[C@H](C(N[C@H](\C=C\C(=O)OCC)C[C@]2(C(NCC2)=O)[H])=O)Cc3ccc(cc3)F)=O)C(C)C)=O,"InChI=1S/C31H39FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-11,14,18,21-22,24,28H,5,12-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/b11-10+/t21-,22+,24+,28-/m0/s1",CAYJBRBGZBCZKO-BHGBQCOSSA-N
BMGC_DG13550,BMG_DG175804,,O(c1c(ccc(c1)/C=C/C(CCCCc2ccccc2)=O)O)C,,OKVCTOBWIAGOMR-ACCUITESSA-N
BMGC_DG13551,BMG_DG175809,CC(=CCC/C(=C/COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)/C)C,,"InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-25-19-16-8-9-18(23)27-21(16)22(24-4)20-17(19)11-13-26-20/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+",OQHQALGVQDTJDN-XNTDXEJSSA-N
BMGC_DG13552,BMG_DG175825,,C(=C/C=C\CC\C=C\C=C\C(NCC(C)C)=O)\C,,VLGRWXYRKYWRPX-SRGJGADKSA-N
BMGC_DG13553,BMG_DG175841,CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O,,"InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13?,14-,18-,19-,20+,24-/m1/s1",QHHKKMYHDBRONY-RMNRSTNRSA-N
BMGC_DG13554,BMG_DG175844,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O,O[C@H]1[C@](n2c3c(nc2)c(N)ncn3)(O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(CC(O)=O)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O)[H],"InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1",LTYOQGRJFJAKNA-DVVLENMVSA-N
BMGC_DG13555,BMG_DG175850,C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@@H](O4)C)N(C)C,,"InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26+,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1",ACTOXUHEUCPTEW-KWBWCIJSSA-N
BMGC_DG13556,BMG_DG175854,C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O,[C@]123[C@@]45[C@@H](Cc6c1c(c(O)cc6)O[C@]2([C@]([C@]([C@@](C(C)(C)C)(O)C)([H])C4)(CC5)OC)[H])N(CC3)CC7CC7,"InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1",RMRJXGBAOAMLHD-IHFGGWKQSA-N
BMGC_DG13557,BMG_DG175859,C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N,,"InChI=1S/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1",BJFIDCADFRDPIO-DZCXQCEKSA-N
BMGC_DG13558,BMG_DG175861,C[C@@H](C(=O)OC)NP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)/C=C/Br)O)OC3=CC=CC=C3,n1(c([nH]c(c(c1)/C=C/Br)=O)=O)[C@@H]2O[C@@H]([C@H](C2)O)COP(N[C@H](C(=O)OC)C)(Oc3ccccc3)=O,"InChI=1S/C21H25BrN3O9P/c1-13(20(28)31-2)24-35(30,34-15-6-4-3-5-7-15)32-12-17-16(26)10-18(33-17)25-11-14(8-9-22)19(27)23-21(25)29/h3-9,11,13,16-18,26H,10,12H2,1-2H3,(H,24,30)(H,23,27,29)/b9-8+/t13-,16-,17+,18+,35?/m0/s1",CFBLUORPOFELCE-BACVZHSASA-N
BMGC_DG13559,BMG_DG175862,C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N,,"InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1",KBZOIRJILGZLEJ-LGYYRGKSSA-N
BMGC_DG13560,BMG_DG175889,C[C@@H]1CC[C@H](C2=C(CC[C@H]12)C)/C=C(\C)/C(=O)O,[H][C@@]12CCC(C)=C2[C@H](/C=C(\C)/C(=O)O)CC[C@H]1C,"InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1",FEBNTWHYQKGEIQ-SUKRRCERSA-N
BMGC_DG13561,BMG_DG175906,[O-]P(=O)([O-])OP(=O)([O-])[O-],O(P([O-])([O-])=O)P([O-])([O-])=O,"InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4",XPPKVPWEQAFLFU-UHFFFAOYSA-J
BMGC_DG13562,BMG_DG175918,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O,,"InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32+,36-/m1/s1",MNBKLUUYKPBKDU-BBECNAHFSA-N
BMGC_DG13563,BMG_DG175919,CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC,[C@H]1(OC[C@@H]\2[C@H](OC(C[C@H]([C@@H]([C@H]([C@H](C[C@H](C(/C=C/C(=C2)/C)=O)C)CC=O)O[C@@]3(O[C@@H]([C@H]([C@@H]([C@H]3O)N(C)C)O[C@]4(C[C@@](C)(O)[C@H]([C@@H](O4)C)OC(=O)CC(C)C)[H])C)[H])C)OC(=O)C)=O)CC)[C@@H]([C@@H]([C@@H]([C@H](O1)C)O)OC)OC,"InChI=1S/C53H87NO19/c1-16-38-36(26-65-52-49(64-15)48(63-14)44(60)31(7)67-52)22-28(4)17-18-37(57)29(5)23-35(19-20-55)46(30(6)39(69-34(10)56)24-41(59)70-38)73-51-45(61)43(54(12)13)47(32(8)68-51)72-42-25-53(11,62)50(33(9)66-42)71-40(58)21-27(2)3/h17-18,20,22,27,29-33,35-36,38-39,42-52,60-62H,16,19,21,23-26H2,1-15H3/b18-17+,28-22+/t29-,30+,31-,32-,33+,35+,36-,38-,39-,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52-,53-/m1/s1",KCJJINQANFZSAM-HZDSEHBESA-N
BMGC_DG13564,BMG_DG175941,,O(c1c(O)c(O)c(cc1)C(/C=C/c2cc(O)c(cc2)O)=O)[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O,,XGEYXJDOVMEJNG-HTFDPZBKSA-N
BMGC_DG13565,BMG_DG175969,,c1(c(O)ccc(C[C@@H](OC(=O)/C=C/c2ccc(O)c3c2[C@H](C(O)=O)[C@@H](c4cc(O)c(cc4)O)O3)C(O)=O)c1)O,,UJZQBMQZMKFSRV-RGKBJLTCSA-N
BMGC_DG13566,BMG_DG175980,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,C([C@@H](O)[C@H](O)[C@@H](O)C=O)O,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1",PYMYPHUHKUWMLA-VPENINKCSA-N
BMGC_DG13567,BMG_DG175984,,c1(SCc2nc(/C=C/C(=O)O)c(cc2)OCCc3ccccc3)c(Cl)cccc1Cl,,ZJLFOOWTDISDIO-ZRDIBKRKSA-N
BMGC_DG13568,BMG_DG175991,,[C@H]1([C@H]([C@@H](O)C[C@H]1O)C/C=C\CCCC(=O)O)CC[C@H](CCc2ccccc2)O,,HNPFPERDNWXAGS-NFVOFSAMSA-N
BMGC_DG13569,BMG_DG176002,C1[C@H]([C@H]([C@@H]([C@H]1O)SC[C@@H](COC2=CC(=CC=C2)Cl)O)C/C=C\CCCC(=O)O)O,C(CCC/C=C\C[C@H]1[C@@H]([C@H](C[C@H]1O)O)SC[C@@H](COc2cc(ccc2)Cl)O)(=O)O,"InChI=1S/C21H29ClO6S/c22-14-6-5-7-16(10-14)28-12-15(23)13-29-21-17(18(24)11-19(21)25)8-3-1-2-4-9-20(26)27/h1,3,5-7,10,15,17-19,21,23-25H,2,4,8-9,11-13H2,(H,26,27)/b3-1-/t15-,17-,18-,19+,21+/m1/s1",KFUDFIMHDRJVLV-OZCLATTGSA-N
BMGC_DG13570,BMG_DG176017,,c1cc(cc(c1O)OC)/C=C/C(OC/C=C/c2cc(c(cc2)O)OC)=O,,PGLIMMMHQDNVRS-YZQQHVNFSA-N
BMGC_DG13571,BMG_DG176030,CCC[C@](C)([C@H]1C[C@@]23C=C[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)O,N1(C)[C@]2([H])Cc3ccc(O)c4c3[C@]5(CC1)[C@@]26C=C[C@@](OC)([C@@]([H])([C@](C)(O)CCC)C6)[C@]5([H])O4,"InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/m1/s1",CAHCBJPUTCKATP-FAWZKKEFSA-N
BMGC_DG13572,BMG_DG176031,C1[C@H](N(CC2=CC=CC=C21)C(=O)[C@H](CC3=CC=C(C=C3)O)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](Cc5ccccc5)C(=O)O,"InChI=1S/C37H38N4O6/c38-30(19-26-15-17-29(42)18-16-26)36(45)41-23-28-14-8-7-13-27(28)22-33(41)35(44)39-31(20-24-9-3-1-4-10-24)34(43)40-32(37(46)47)21-25-11-5-2-6-12-25/h1-18,30-33,42H,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33-/m0/s1",JYOUATXRHWNDDW-YRCZKMHPSA-N
BMGC_DG13573,BMG_DG176033,,c1(c(ccc(c1)[N+](=O)[O-])Cl)C(Nc2ccccc2)=O,,DNTSIBUQMRRYIU-UHFFFAOYSA-N
BMGC_DG13574,BMG_DG176034,,C(CCNc1cc(ccn1)-c2nc(ncc2)Nc3cc(ccc3)Cl)O,,IYNDTACKOAXKBJ-UHFFFAOYSA-N
BMGC_DG13575,BMG_DG176037,C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC,C1([C@@]2(O[C@@](C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@@H](C)C([C@@H]([C@@H](/C(=C/[C@H](C(C[C@H](OC([C@H]3N(C1=O)CCCC3)=O)[C@@H](C[C@H]4C[C@@H](OC)[C@@H](CC4)OCCO)C)=O)C)/C)O)OC)=O)C)/C)OC)([H])CC[C@H]2C)O)=O,"InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1",HKVAMNSJSFKALM-GKUWKFKPSA-N
BMGC_DG13576,BMG_DG176047,CCCCCCCCCCCC(=O)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)(O)O)OCC[C@@H](CCCCCCC)OC(=O)CCC/C=C\CCCCCC)NC(=O)CC(=O)CCCCCCCCCCC)O)OCC[C@@H](CCCCCCC)O,O(CC[C@H](OC(CCC/C=C\CCCCCC)=O)CCCCCCC)[C@@H]1[C@@H](NC(CC(CCCCCCCCCCC)=O)=O)[C@H](OC[C@@H]2[C@@H](O)[C@H](OCC[C@@H](CCCCCCC)O)[C@H]([C@H](O2)OP(=O)(O)O)NC(CC(CCCCCCCCCCC)=O)=O)O[C@@H]([C@H]1OP(=O)(O)O)COC,"InChI=1S/C73H136N2O22P2/c1-7-12-17-22-25-28-31-36-40-45-58(77)53-63(79)74-66-70(90-51-49-57(76)44-39-34-20-15-10-4)68(82)61(94-73(66)97-99(86,87)88)56-92-72-67(75-64(80)54-59(78)46-41-37-32-29-26-23-18-13-8-2)71(69(96-98(83,84)85)62(95-72)55-89-6)91-52-50-60(47-42-35-21-16-11-5)93-65(81)48-43-38-33-30-27-24-19-14-9-3/h30,33,57,60-62,66-73,76,82H,7-29,31-32,34-56H2,1-6H3,(H,74,79)(H,75,80)(H2,83,84,85)(H2,86,87,88)/b33-30-/t57-,60-,61-,62-,66-,67-,68-,69-,70-,71-,72-,73-/m1/s1",GDODKYPBSZCPOO-XFMGTHRKSA-N
BMGC_DG13577,BMG_DG176058,,O1COc2c1ccc(c2)/C=C/CCCCCC/C=C/C=C/C(=O)NCC(C)C,,FPMPOFBEYSSYDQ-AUVZEZIHSA-N
BMGC_DG13578,BMG_DG176059,CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5,C(F)(F)(F)c1cc(cc(NC(=O)c2cc(Nc3nc(ccn3)-c4cccnc4)c(C)cc2)c1)-n5cnc(C)c5,"InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)",HHZIURLSWUIHRB-UHFFFAOYSA-N
BMGC_DG13579,BMG_DG176070,CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O,,"InChI=1S/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/t17-,18+/m0/s1",YHEDRJPUIRMZMP-ZWKOTPCHSA-N
BMGC_DG13580,BMG_DG176073,,c1cc(c(cc1O)/C=C/C(=O)O)O,,JXIPYOZBOMUUCA-DAFODLJHSA-N
BMGC_DG13581,BMG_DG176080,COC1=C(C=CC(=C1)O)/C=C/C(=O)C2=CC=C(C=C2)O,C(/C=C/c1c(cc(cc1)O)OC)(=O)c2ccc(cc2)O,"InChI=1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+",QJKMIJNRNRLQSS-WEVVVXLNSA-N
BMGC_DG13582,BMG_DG176092,,C([C@H](Cc1cc(c(cc1)Oc2cc(c(c(c2)I)O)I)I)N)(=O)O,,HZCBWYNLGPIQRK-LBPRGKRZSA-N
BMGC_DG13583,BMG_DG176096,CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2",FDJOLVPMNUYSCM-UHFFFAOYSA-L
BMGC_DG13584,BMG_DG176098,,C(CCCCC/C=C/C=C/C(=O)NCC(C)C)C,,BBRMJCAPNGJKEM-AQASXUMVSA-N
BMGC_DG13585,BMG_DG176099,CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)O,C(=C/C=C\CCCCCCCC(O)=O)\[C@H](CCCCC)O,"InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1",HNICUWMFWZBIFP-IRQZEAMPSA-N
BMGC_DG13586,BMG_DG176127,CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C,,"InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1",UMBVAPCONCILTL-MRHIQRDNSA-N
BMGC_DG13587,BMG_DG176203,,C(c1cc(CCC(=O)O)c(cc1)OCCCC\C=C\c2ccc(cc2)OC)(c3cc(C(=O)O)ccc3)=O,,SYZSSLLFRVDRHL-QPJJXVBHSA-N
BMGC_DG13588,BMG_DG176204,C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)/C=C/C4=CC=C(C=C4)C(F)(F)F,n1(nncc1)CCCCc2ccc(cc2)OCc3nc(oc3)/C=C/c4ccc(cc4)C(F)(F)F,"InChI=1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13-8+",ZTFBIUXIQYRUNT-MDWZMJQESA-N
BMGC_DG13589,BMG_DG176208,,S\1C(NC(/C1=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)=O)=N,,AKTXOQVMWSFEBQ-LCYFTJDESA-N
BMGC_DG13590,BMG_DG176217,CCCCCCOC(=O)/N=C(/C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)\N,,"InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)",KSGXQBZTULBEEQ-UHFFFAOYSA-N
BMGC_DG13591,BMG_DG176220,CN([C@@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O)C(=O)/C=C/C7=COC=C7,c1occ(c1)\C=C\C(N([C@H]2[C@@]3(Oc4c(ccc5c4[C@@]63[C@]([C@@H](C5)N(CC7CC7)CC6)(CC2)O)O)[H])C)=O,"InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1",XGZZHZMWIXFATA-UEZBDDGYSA-N
BMGC_DG13592,BMG_DG176224,,[nH]1cc(CCN(Cc2ccc(\C=C\C(=O)NO)cc2)CCO)c3c1cccc3,,BWDQBBCUWLSASG-MDZDMXLPSA-N
BMGC_DG13593,BMG_DG176227,CN1CCCC[C@H]1CCC2=CC=CC=C2NC(=O)/C=C/C3=CC=CC=C3,c1cccc(/C=C/C(=O)Nc2ccccc2CC[C@H]3N(CCCC3)C)c1,"InChI=1S/C23H28N2O/c1-25-18-8-7-12-21(25)16-15-20-11-5-6-13-22(20)24-23(26)17-14-19-9-3-2-4-10-19/h2-6,9-11,13-14,17,21H,7-8,12,15-16,18H2,1H3,(H,24,26)/b17-14+/t21-/m0/s1",UXIPFQUBOVWAQW-UEBLJOKOSA-N
BMGC_DG13594,BMG_DG176228,C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C,[C@@H]1([C@H](CCC[C@@]2([C@](C[C@H](NC(=O)C[C@H](O)C(C)(C)C([C@@H]1C)=O)/C(=C/c3nc(sc3)C)/C)(O2)[H])C)C)O,"InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1",FABUFPQFXZVHFB-PVYNADRNSA-N
BMGC_DG13595,BMG_DG176229,CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C,c12c(c(C#N)cnc1cc(c(c2)NC(/C=C/CN(C)C)=O)OCC)Nc3cc(Cl)c(cc3)F,"InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+",WVUNYSQLFKLYNI-AATRIKPKSA-N
BMGC_DG13596,BMG_DG176241,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@]4(C)O)C)O)F,[C@]12([C@@]3(C(=CC(CC3)=O)CC[C@]1([C@@]4(CC[C@@]([C@]4(C[C@@H]2O)C)(O)C)[H])[H])C)F,"InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1",YLRFCQOZQXIBAB-RBZZARIASA-N
BMGC_DG13597,BMG_DG176243,CCCCCC(=O)/C=C/C=C\CCCCCCCC(=O)O,CCCCCC(=O)/C=C/C=C\CCCCCCCC(=O)O,"InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+",JHXAZBBVQSRKJR-BSZOFBHHSA-N
BMGC_DG13598,BMG_DG176261,CCOC(=O)/C(=C/C1=NC=C(N1C)[N+](=O)[O-])/C(=O)C,c1(ncc(n1C)[N+](=O)[O-])\C=C(\C(=O)OCC)/C(=O)C,"InChI=1S/C11H13N3O5/c1-4-19-11(16)8(7(2)15)5-9-12-6-10(13(9)3)14(17)18/h5-6H,4H2,1-3H3/b8-5+",GCHKUUOPYMFGEY-VMPITWQZSA-N
BMGC_DG13599,BMG_DG176284,CC(=CCC/C(=C/CC1=C(C=CC(=C1O)O)CCC(=O)C2=C(C=C(C=C2)O)O)/C)C,,"InChI=1S/C25H30O5/c1-16(2)5-4-6-17(3)7-11-20-18(9-14-23(28)25(20)30)8-13-22(27)21-12-10-19(26)15-24(21)29/h5,7,9-10,12,14-15,26,28-30H,4,6,8,11,13H2,1-3H3/b17-7+",FVNFXIPJDHVJGE-REZTVBANSA-N
BMGC_DG13600,BMG_DG176287,CC(C)(C)N=C(NC#N)NC1=CC=CC(=C1)/C(=C\CCCC(=O)O)/C2=CN=CC=C2,OC(=O)CCC/C=C(\c1cccc(/N=C(\NC#N)/NC(C)(C)C)c1)/c2cccnc2,"InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)/b20-11+",XUTLOCQNGLJNSA-RGVLZGJSSA-N
BMGC_DG13601,BMG_DG176298,,c1(c(c(c(cc1O)CCCCC)C(=O)O)O)C/C=C(\C)/CCC=C(C)C,,SEEZIOZEUUMJME-FOWTUZBSSA-N
BMGC_DG13602,BMG_DG176306,,,,
BMGC_DG13603,BMG_DG176323,C/C=C/1\C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,O=C1C=C2[C@@](C)([C@]3([H])[C@@]([H])(CC2)[C@@]4([H])[C@@](C)(/C(=C/C)/C(=O)C4)CC3)CC1,"InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1",WDXRGPWQVHZTQJ-OSJVMJFVSA-N
BMGC_DG13604,BMG_DG176339,C1=CC=C(C=C1)/C(=C/CCCCC(=O)O)/C2=CC=NC=C2,,"InChI=1S/C18H19NO2/c20-18(21)10-6-2-5-9-17(15-7-3-1-4-8-15)16-11-13-19-14-12-16/h1,3-4,7-9,11-14H,2,5-6,10H2,(H,20,21)/b17-9-",LTONXWVJNJCULL-MFOYZWKCSA-N
BMGC_DG13605,BMG_DG176341,C[C@H]1/C=C\C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(\[C@H]1O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@H]([C@@H]([C@@H](O6)C)NC(=O)C)OC)OC)/C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C(C)C)C)O,,"InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b13-12-,27-15-,33-14-/t26-,28-,30-,31-,34+,35-,36-,37+,38-,39-,40-,41+,42+,43+,44-,45+,46+,48+,49+/m0/s1",WPNHOHPRXXCPRA-TVXIRPTOSA-N
BMGC_DG13606,BMG_DG176343,C1=CC=C(C=C1)NC(=O)/C=C/C2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)O,OC(=O)c1c(/C=C/C(=O)Nc2ccccc2)c3c(Cl)cc(Cl)cc3[nH]1,"InChI=1S/C18H12Cl2N2O3/c19-10-8-13(20)16-12(17(18(24)25)22-14(16)9-10)6-7-15(23)21-11-4-2-1-3-5-11/h1-9,22H,(H,21,23)(H,24,25)/b7-6+",WZBNEZWCNKUOSM-VOTSOKGWSA-N
BMGC_DG13607,BMG_DG176346,CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4,n1[nH]c2cc(Sc3c(C(=O)NC)cccc3)ccc2c1/C=C/c4ncccc4,"InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+",RITAVMQDGBJQJZ-FMIVXFBMSA-N
BMGC_DG13608,BMG_DG176350,COC(=O)C1=CN=C2N1CCC3=CC=CC=C3C2=C4CCN(CC4)CCC5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6,c1cccc2c1nc(COc3ccc(cc3)CCN4CCC(CC4)=C5c6c(CCn7c5ncc7C(OC)=O)cccc6)cc2,"InChI=1S/C37H36N4O3/c1-43-37(42)34-24-38-36-35(32-8-4-2-6-27(32)19-23-41(34)36)29-17-21-40(22-18-29)20-16-26-10-14-31(15-11-26)44-25-30-13-12-28-7-3-5-9-33(28)39-30/h2-15,24H,16-23,25H2,1H3",TULGGJGJQXESOO-UHFFFAOYSA-N
BMGC_DG13609,BMG_DG176354,CC(=O)N(C)C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=CS4,n12c(c(C(c3sccc3)=O)cn1)nccc2-c4cc(N(C(=O)C)C)ccc4,"InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3",CBIAWPMZSFFRGN-UHFFFAOYSA-N
BMGC_DG13610,BMG_DG176355,,C(N(c1c(cc(nc1)N2CCOCC2)-c3c(C)cccc3)C)(C(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)(C)C)=O,,ZGNPLCMMVKCTHM-UHFFFAOYSA-N
BMGC_DG13611,BMG_DG176358,,c1(cc2c(C(=O)C(=O)O)cn(c2cc1)Cc3ccccc3)-c4ccc(cc4)OC(F)(F)F,,ODXQFEWQSHNQNI-UHFFFAOYSA-N
BMGC_DG13612,BMG_DG176360,,,,
BMGC_DG13613,BMG_DG176362,CC(C)(C)CCC#C[C@@H]1C[C@H]1C2=CN=CN2,[C@@H]1([C@@H](C1)C#CCCC(C)(C)C)c2c[nH]cn2,"InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1",CVKJAXCQPFOAIN-VXGBXAGGSA-N
BMGC_DG13614,BMG_DG176375,CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)Br)Br)O)Br,Oc1c(Br)cc(c(C)c1Br)C2(OS(c3ccccc32)(=O)=O)c4cc(c(O)c(Br)c4C)Br,"InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3",FRPHFZCDPYBUAU-UHFFFAOYSA-N
BMGC_DG13615,BMG_DG176380,,O1[C@@H]([C@H](c2c1c(ccc2/C=C/C(=O)O[C@H](Cc3cc(c(cc3)O)O)C(=O)O)O)C(=O)O[C@H](Cc4cc(c(cc4)O)O)C(=O)O)c5cc(c(cc5)O)O,,SNKFFCBZYFGCQN-VWUOOIFGSA-N
BMGC_DG13616,BMG_DG176394,,C1COc2c(cc3c(OC4N(C3=O)CCC4)c2)O1,,RQEPVMAYUINZRE-UHFFFAOYSA-N
BMGC_DG13617,BMG_DG176395,CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C,c1(C(C(=O)N(C)c2c(cc(nc2)N3CCN(CC3)C)-c4c(cccc4)C)(C)C)cc(cc(C(F)(F)F)c1)C(F)(F)F,"InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3",WAXQNWCZJDTGBU-UHFFFAOYSA-N
BMGC_DG13618,BMG_DG176401,CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)/C=C/C#N,Cc1cc(/C=C/C#N)cc(C)c1Nc2ccnc(Nc3ccc(cc3)C#N)n2,"InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+",YIBOMRUWOWDFLG-ONEGZZNKSA-N
BMGC_DG13619,BMG_DG176445,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C,C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(CC(=O)CC4)[H])(CC1)[H])[H])(CC[C@@H]2C(CO)=O)[H],"InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15-,16-,17-,18+,20-,21-/m0/s1",USPYDUPOCUYHQL-KVHKMPIWSA-N
BMGC_DG13620,BMG_DG176479,C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,[C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)Oc2cc(O)c(c(c2)O)C(=O)CCc3ccc(O)cc3,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-7-14(25)17(15(26)8-12)13(24)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-23,25-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1",GSTCPEBQYSOEHV-QNDFHXLGSA-N
BMGC_DG13621,BMG_DG176544,[Cl-].[Cl-].[Cl-].[Cr+3],[Cr+3].[Cl-].[Cl-].[Cl-],InChI=1S/3ClH.Cr/h3*1H;/q;;;+3/p-3,QSWDMMVNRMROPK-UHFFFAOYSA-K
BMGC_DG13622,BMG_DG176585,[O-]P(=O)([O-])OP(=O)([O-])[O-].[99Tc+4],,"InChI=1S/H4O7P2.Tc/c1-8(2,3)7-9(4,5)6;/h(H2,1,2,3)(H2,4,5,6);/q;+4/p-4/i;1+1",OOGKGVXDDGJCPO-IEOVAKBOSA-J
BMGC_DG13623,BMG_DG176616,,Oc1c2[C@]3([C@](C(C)(C)Oc2cc(CCCCCCC)c1)(CCC(C)=C3)[H])[H],,OJTMRZHYTZMJKX-RTBURBONSA-N
BMGC_DG13624,BMG_DG176644,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Cr+3],C(CC([O-])=O)(CC([O-])=O)(C([O-])=O)O.[Cr+3],"InChI=1S/C6H8O7.Cr/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3",SWXXYWDHQDTFSU-UHFFFAOYSA-K
BMGC_DG13625,BMG_DG176655,,,,
BMGC_DG13626,BMG_DG176674,,Nc1nc2c(ncn2[C@@H]3O[C@@H](CO[P@](O)(=O)OP(O)(O)=O)[C@H](O)[C@H]3O)c(=O)[nH]1,,QGWNDRXFNXRZMB-BZKDHIKHSA-N
BMGC_DG13627,BMG_DG176676,CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O,,"InChI=1S/C27H46O3/c1-17(2)6-11-24(29)27(5,30)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h7,17,19-24,28-30H,6,8-16H2,1-5H3/t19-,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1",ISBSSBGEYIBVTO-TYKWNDPBSA-N
BMGC_DG13628,BMG_DG176678,,c12c(cc(cc1O)CCCC)OC([C@]3([C@]2(C=C(CC3)C)[H])[H])(C)C,,QHCQSGYWGBDSIY-HZPDHXFCSA-N
BMGC_DG13629,BMG_DG176701,,N1(C(=O)[C@H](N)C)[C@H](C(=O)O)CCC1,,WPWUFUBLGADILS-RITPCOANSA-N
BMGC_DG13630,BMG_DG176742,,,,
BMGC_DG13631,BMG_DG176801,,C(c1ccccc1)(c2ccccc2)(c3ccccc3)Cl,,JBWKIWSBJXDJDT-UHFFFAOYSA-N
BMGC_DG13632,BMG_DG176802,CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CCNC(C)C)O,[C@@]1(O)(c2cc3-c4c(Cn3c(c2COC1=O)=O)c(c5c(n4)cccc5)CCNC(C)C)CC,"InChI=1S/C25H27N3O4/c1-4-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(9-10-26-14(2)3)16-7-5-6-8-20(16)27-22/h5-8,11,14,26,31H,4,9-10,12-13H2,1-3H3/t25-/m0/s1",LNHWXBUNXOXMRL-VWLOTQADSA-N
BMGC_DG13633,BMG_DG176805,,C(c1ccccc1)(c2ccccc2)(c3ccccc3)O,,LZTRCELOJRDYMQ-UHFFFAOYSA-N
BMGC_DG13634,BMG_DG176812,,C(NCCCCN1CCN(CC1)c2c(OC)cccc2)(=O)C34CC5CC(C3)CC(C4)C5,,PRZPXKIXNNNNCD-UHFFFAOYSA-N
BMGC_DG13635,BMG_DG176813,CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CC5CC(C3)CC4C5,,"InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)",PJBFVWGQFLYWCB-UHFFFAOYSA-N
BMGC_DG13636,BMG_DG176814,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O,C(c1ccccc1)(c2ccccc2)(C(=O)O)O,"InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)",UKXSKSHDVLQNKG-UHFFFAOYSA-N
BMGC_DG13637,BMG_DG176817,CC(C)C1(C(=O)NC(=O)NC1=O)CC=C,C1(C(C(=O)NC(N1)=O)(C(C)C)CC=C)=O,"InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)",UORJNBVJVRLXMQ-UHFFFAOYSA-N
BMGC_DG13638,BMG_DG176823,[O-]P(=O)([O-])[O-].[Al+3],[Al+3].[O-]P([O-])([O-])=O,"InChI=1S/Al.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",ILRRQNADMUWWFW-UHFFFAOYSA-K
BMGC_DG13639,BMG_DG176824,C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O,[C@]123[C@@]([C@](C)(C(O1)=O)[C@H](C=C2)O)([C@H](C(=O)O)[C@]45[C@]3(CC[C@](O)(C4)C(C5)=C)[H])[H],"InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1",IXORZMNAPKEEDV-OBDJNFEBSA-N
BMGC_DG13640,BMG_DG176833,C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3,C1(N2CCCCC2)(c3ccccc3)CCCCC1,"InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2",JTJMJGYZQZDUJJ-UHFFFAOYSA-N
BMGC_DG13641,BMG_DG176837,,[C@H]1(C=C[C@@H](O1)n2ccc(nc2=O)N)CO,,OOBICGOWICFMIX-POYBYMJQSA-N
BMGC_DG13642,BMG_DG176840,CC1(C2CCC1(C(C2)O)C)C,,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3",DTGKSKDOIYIVQL-UHFFFAOYSA-N
BMGC_DG13643,BMG_DG176842,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,[C@H]1([C@H]([C@@H]([C@@H](CO)O[C@H]1O)O)O)O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1",WQZGKKKJIJFFOK-VFUOTHLCSA-N
BMGC_DG13644,BMG_DG176843,CCOC(=O)C1(CCCN(CC1)C)C2=CC=CC=C2,C1(C(=O)OCC)(CCN(C)CCC1)c2ccccc2,"InChI=1S/C16H23NO2/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16/h4-6,8-9H,3,7,10-13H2,1-2H3",WGJHHMKQBWSQIY-UHFFFAOYSA-N
BMGC_DG13645,BMG_DG176848,CC(=CCOP(=O)(O)OP(=O)(O)O)C,,"InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)",CBIDRCWHNCKSTO-UHFFFAOYSA-N
BMGC_DG13646,BMG_DG176853,CCC(=O)OC1(CCN(CC1C)C)C2=CC=CC=C2,,"InChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3",UVAZQQHAVMNMHE-UHFFFAOYSA-N
BMGC_DG13647,BMG_DG176854,CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O.Cl,[C@]1(O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)O)([C@H](NC([C@H]2N(C[C@@H](C2)CCC)C)=O)[C@H](O)C)[H].Cl,"InChI=1S/C18H34N2O6S.ClH/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H/t9-,10-,11+,12-,13+,14-,15-,16-,18-;/m1./s1",POUMFISTNHIPTI-BOMBIWCESA-N
BMGC_DG13648,BMG_DG176856,CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O,[C@@]12([C@@H](OC(=O)[C@H](CC)C)CCC=C1C=C[C@@H]([C@@H]2CC[C@H]3OC(=O)C[C@@H](C3)O)C)[H],"InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1",AJLFOPYRIVGYMJ-INTXDZFKSA-N
BMGC_DG13649,BMG_DG176858,,C1(C(=O)OCCN(CC)CC)(c2ccccc2)CCCC1,,OFAIGZWCDGNZGT-UHFFFAOYSA-N
BMGC_DG13650,BMG_DG176862,CCCCC1(C(=O)NC(=O)NC1=O)CC,N1C(C(CC)(CCCC)C(NC1=O)=O)=O,"InChI=1S/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)",STDBAQMTJLUMFW-UHFFFAOYSA-N
BMGC_DG13651,BMG_DG176863,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,,"InChI=1S/C6H8O7.C6H12O6/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-1-3(9)5(11)6(12)4(10)2-8/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1,3-6,8-12H,2H2/t;3-,4+,5+,6+/m.0/s1",IJRKANNOPXMZSG-SSPAHAAFSA-N
BMGC_DG13652,BMG_DG176865,Cl[La](Cl)Cl,[La+3].[Cl-].[Cl-].[Cl-],InChI=1S/3ClH.La/h3*1H;/q;;;+3/p-3,ICAKDTKJOYSXGC-UHFFFAOYSA-K
BMGC_DG13653,BMG_DG176877,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(\C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,,"InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19-,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1",QJJXYPPXXYFBGM-LJIGMGMYSA-N
BMGC_DG13654,BMG_DG176878,CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)[C@@H](C)CC)C)C,[H][C@@]1([C@H](CC)C)N(C)C(=O)CN(C)C([C@@H](NC([C@](N(C([C@@H](N(C)C(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](NC([C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC1=O)=O)C)CC(C)C)C(C)C)=O)C)([H])[C@@H]([C@H](C)C/C=C/C)O)=O)CC)=O,"InChI=1S/C62H111N11O12/c1-25-28-29-40(15)52(75)51-56(79)65-43(27-3)58(81)67(18)33-47(74)71(22)50(39(14)26-2)55(78)66-48(37(10)11)61(84)68(19)44(30-34(4)5)54(77)63-41(16)53(76)64-42(17)57(80)69(20)45(31-35(6)7)59(82)70(21)46(32-36(8)9)60(83)72(23)49(38(12)13)62(85)73(51)24/h25,28,34-46,48-52,75H,26-27,29-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b28-25+/t39-,40+,41-,42+,43-,44-,45-,46-,48-,49-,50-,51-,52+/m0/s1",RPJPZDVUUKWPGT-FOIHOXPVSA-N
BMGC_DG13655,BMG_DG176879,C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C,,"InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1",KTEXNACQROZXEV-SLXBATTESA-N
BMGC_DG13656,BMG_DG176881,CC[C@@H]1[C@@]([C@H]2[C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N[C@H](O2)COCCOC)C)(C)O,[C@H]12[C@@]([C@H](OC([C@@H]([C@](O[C@H]3C[C@](OC)(C)[C@H]([C@@H](O3)C)O)([H])[C@@H]([C@]([C@@](C[C@H]([C@@H]([C@@H]1C)N[C@H](O2)COCCOC)C)(O)C)(O[C@H]4[C@@H]([C@@H](N(C)C)C[C@H](O4)C)O)[H])C)C)=O)CC)(O)C,"InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1",WLOHNSSYAXHWNR-DWIOZXRMSA-N
BMGC_DG13657,BMG_DG176894,C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O,[C@@H]1([C@H]([C@@H](C[C@@](C1)(C(=O)O)O)O)OC(/C=C/c2ccc(c(c2)O)O)=O)OC(/C=C/c3cc(c(cc3)O)O)=O,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1",UFCLZKMFXSILNL-RVXRWRFUSA-N
BMGC_DG13658,BMG_DG176895,C1C(C[C@H](C([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(O)C(=O)O,O[C@]1(C[C@H]([C@H]([C@@H](C1)OC(/C=C/c2cc(O)c(O)cc2)=O)O)OC(/C=C/c3cc(c(cc3)O)O)=O)C(O)=O,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",KRZBCHWVBQOTNZ-PSEXTPKNSA-N;KRZBCHWVBQOTNZ-RDJMKVHDSA-N
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BMGC_DG13666,BMG_DG176921,CCNCCCNC/C=C\CNCCCNCC,C(/C=C\CNCCCNCC)NCCCNCC,"InChI=1S/C14H32N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h5-6,15-18H,3-4,7-14H2,1-2H3/b6-5-",XFWLTFZLLXVKDY-WAYWQWQTSA-N
BMGC_DG13667,BMG_DG176931,CC1(CC(=O)N(C1=O)C)C2=CC=CC=C2,N1(C(C(c2ccccc2)(C)CC1=O)=O)C,"InChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3",AJXPJJZHWIXJCJ-UHFFFAOYSA-N
BMGC_DG13668,BMG_DG176938,,C1[C@](C[C@H]([C@@H]([C@@H]1O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)(C(=O)OC)O,,MZNIJRAPCCELQX-AWOKGZDASA-N
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BMGC_DG13672,BMG_DG176966,,c1c2c(ccn1)n(c(n2Cc3nc4c(n3CCCCO)cccc4)=O)C5CC5,,KSHJXDWYTZJUEI-UHFFFAOYSA-N
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BMGC_DG13676,BMG_DG176980,,C(/C(=C/Cc1c(c(ccc1OC)C(/C=C/c2ccc(cc2)O)=O)O)/C)CC=C(C)C,,XBFSDEKOTLYPJU-SXZUIPJJSA-N
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BMGC_DG13686,BMG_DG177045,C1CNC(=O)NC1=O,O=C1NCCC(=O)N1,"InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)",OIVLITBTBDPEFK-UHFFFAOYSA-N
BMGC_DG13687,BMG_DG177047,,O=C1/C(/c2c(N1)ccc3c2scn3)=C\c4[nH]cnc4,,VFBGXTUGODTSPK-BAQGIRSFSA-N
BMGC_DG13688,BMG_DG177048,CC1(C(=O)NC(=O)N1)C,C1(C(NC(N1)=O)=O)(C)C,"InChI=1S/C5H8N2O2/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9)",YIROYDNZEPTFOL-UHFFFAOYSA-N
BMGC_DG13689,BMG_DG177051,,C(N[C@H](C(N[C@H](C(N[C@H]([C@H](C(OC(C)C)=O)O)CC1CCCCC1)=O)CSC)=O)Cc2ccccc2)(N3CCOCC3)=O,,UZQBKCWYZBHBOW-YIPNQBBMSA-N
BMGC_DG13690,BMG_DG177053,CC(C(=O)O)OC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl,c1cc(Oc2ccc(cc2)OC(C(=O)O)C)ccc1Cl,"InChI=1S/C15H13ClO4/c1-10(15(17)18)19-12-6-8-14(9-7-12)20-13-4-2-11(16)3-5-13/h2-10H,1H3,(H,17,18)",BSFAVVHPEZCASB-UHFFFAOYSA-N
BMGC_DG13691,BMG_DG177054,CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,C(C(Oc1ccc(C(c2ccc(cc2)Cl)=O)cc1)(C)C)(O)=O,"InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)",MQOBSOSZFYZQOK-UHFFFAOYSA-N
BMGC_DG13692,BMG_DG177061,CCC(C)(C#C)O,C(#C)C(O)(CC)C,"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3",QXLPXWSKPNOQLE-UHFFFAOYSA-N
BMGC_DG13693,BMG_DG177064,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O,C1[C@@H](C)[C@H](C)[C@@]2([C@](C(=O)O)(C1)CC[C@@]3(C)[C@@]4(CC[C@@]5([H])C(C)([C@H](CC[C@]5(C)[C@@]4([H])CC=C23)O)C)C)[H],"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",WCGUUGGRBIKTOS-GPOJBZKASA-N
BMGC_DG13694,BMG_DG177065,,O(C)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,,HOVAGTYPODGVJG-ZFYZTMLRSA-N
BMGC_DG13695,BMG_DG177067,C1=CC(=CC=C1C(=N)N)OCCCOC2=CC=C(C=C2)C(=N)N,C(c1ccc(OCCCOc2ccc(C(=N)N)cc2)cc1)(=N)N,"InChI=1S/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21)",WTFXJFJYEJZMFO-UHFFFAOYSA-N
BMGC_DG13696,BMG_DG177069,CNC(=O)C1=CN=CC=C1,c1ccc(C(=O)NC)cn1,"InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)",ZYVXHFWBYUDDBM-UHFFFAOYSA-N
BMGC_DG13697,BMG_DG177072,CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.O[Sb](=O)=O,CNC[C@H](O)[C@@H](O)[C@@H]([C@@H](CO)O)O.O=[Sb](O)=O,"InChI=1S/C7H17NO5.H2O.2O.Sb/c1-8-2-4(10)6(12)7(13)5(11)3-9;;;;/h4-13H,2-3H2,1H3;1H2;;;/q;;;;+1/p-1/t4-,5+,6+,7+;;;;/m0..../s1",XOGYVDXPYVPAAQ-SESJOKTNSA-M
BMGC_DG13698,BMG_DG177075,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O,n1(c2c(c([nH]c([nH]2)=O)=O)nc1)[C@@H]3O[C@H](CO)[C@H]([C@H]3O)O,"InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1",UBORTCNDUKBEOP-UUOKFMHZSA-N
BMGC_DG13699,BMG_DG177078,C1=CC=C2C(=C1)C3=C(N2)C=NC=C3,c1ccc2c(c1)c3ccncc3[nH]2,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H",AIFRHYZBTHREPW-UHFFFAOYSA-N
BMGC_DG13700,BMG_DG177084,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,P(OC[C@H]1O[C@@H](n2c([nH]c(=O)c(c2)C)=O)C[C@@H]1O)(OP(OP(O)(=O)O)(=O)O)(=O)O,"InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",NHVNXKFIZYSCEB-XLPZGREQSA-N
BMGC_DG13701,BMG_DG177085,CN1C=NC=C1C[C@@H](C(=O)O)N,c1ncc(n1C)C[C@@H](C(O)=O)N,"InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1",JDHILDINMRGULE-LURJTMIESA-N
BMGC_DG13702,BMG_DG177088,CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O,[C@]12([C@]3([C@]([C@]4(CC[C@@H](C([C@@]4(CC3)[H])(C)C)O)C)([H])CC[C@@]2([C@@]5([C@](C(=O)O)(CC[C@H]5C(=C)C)CC1)[H])[H])C)C,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",QGJZLNKBHJESQX-FZFNOLFKSA-N
BMGC_DG13703,BMG_DG177089,CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@H]([C@@H]([C@H](O4)C)C)O,c12c(c3C=CC(Oc3c4c1oc(cc4CCC)=O)(C)C)O[C@@H]([C@H]([C@@H]2O)C)C,"InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18+/m1/s1",NIDRYBLTWYFCFV-FMTVUPSXSA-N
BMGC_DG13704,BMG_DG177090,C1=C[C@@H](O[C@@H]1CO)N2C=C(C(=NC2=O)N)F,n1(c(nc(c(c1)F)N)=O)[C@@H]2O[C@H](CO)C=C2,"InChI=1S/C9H10FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h1-3,5,7,14H,4H2,(H2,11,12,15)/t5-,7+/m0/s1",HSBKFSPNDWWPSL-CAHLUQPWSA-N
BMGC_DG13705,BMG_DG177094,COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O)OC)OC,[C@H]1([C@@H](Cc2cc(c(OC)cc2)OC)COC1=O)Cc3cc(c(O)cc3)OC;c1c(C[C@H]2C(OC[C@@H]2Cc3cc(c(OC)cc3)OC)=O)cc(c(c1)O)OC,"InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1",NQWVSMVXKMHKTF-JKSUJKDBSA-N
BMGC_DG13706,BMG_DG177095,C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O,Oc1c2c(=O)cc(-c3ccccc3)oc2cc(O[C@H]4[C@H](O)[C@H]([C@@H]([C@H](O4)C(=O)O)O)O)c1O,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",IKIIZLYTISPENI-ZFORQUDYSA-N
BMGC_DG13707,BMG_DG177101,C1=NC2=C(N=C(N=C2N1CCOCP(=O)(O)O)N)N,n1c(N)c2c(n(CCOCP(O)(=O)O)cn2)nc1N,"InChI=1S/C8H13N6O4P/c9-6-5-7(13-8(10)12-6)14(3-11-5)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H4,9,10,12,13)",XHXFQGAZAVKMFF-UHFFFAOYSA-N
BMGC_DG13708,BMG_DG177103,CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=CC=C2,,"InChI=1S/C14H16N2O4S/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19)",HDMHBHNRWDNNCD-UHFFFAOYSA-N
BMGC_DG13709,BMG_DG177106,CC(=O)C(=O)C,C(C(=O)C)(=O)C,InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3,QSJXEFYPDANLFS-UHFFFAOYSA-N
BMGC_DG13710,BMG_DG177107,CCOP(=O)(C#N)N(C)C,P(OCC)(N(C)C)(C#N)=O,"InChI=1S/C5H11N2O2P/c1-4-9-10(8,5-6)7(2)3/h4H2,1-3H3",PJVJTCIRVMBVIA-UHFFFAOYSA-N
BMGC_DG13711,BMG_DG177111,CCOCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC=CC=C2,n1(c(c(C(C)C)c([nH]c1=O)=O)Cc2ccccc2)COCC,"InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)",MLILORUFDVLTSP-UHFFFAOYSA-N
BMGC_DG13712,BMG_DG177112,C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl,N1(Cc2ccc(CN3CCCNCCNCCCNCC3)cc2)CCCNCCNCCCNCC1.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl,"InChI=1S/C28H54N8.8ClH/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36;;;;;;;;/h5-8,29-34H,1-4,9-26H2;8*1H",UEUPDYPUTTUXLJ-UHFFFAOYSA-N
BMGC_DG13713,BMG_DG177113,C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3,N1(Cc2ccc(CN3CCCNCCNCCCNCC3)cc2)CCCNCCNCCCNCC1,"InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2",YIQPUIGJQJDJOS-UHFFFAOYSA-N
BMGC_DG13714,BMG_DG177114,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N,S(N(C[C@@H](O)[C@@H](NC(O[C@H]1CCOC1)=O)Cc2ccccc2)CC(C)C)(c3ccc(N)cc3)(=O)=O,"InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1",YMARZQAQMVYCKC-OEMFJLHTSA-N
BMGC_DG13715,BMG_DG177118,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC,C1(=C[C@@H](OC(CC)CC)[C@@H]([C@H](C1)N)NC(=O)C)C(=O)OCC,"InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1",VSZGPKBBMSAYNT-RRFJBIMHSA-N
BMGC_DG13716,BMG_DG177120,C(C(CO)(CO)N)O,C(N)(CO)(CO)CO,"InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2",LENZDBCJOHFCAS-UHFFFAOYSA-N
BMGC_DG13717,BMG_DG177124,C=CCSS(=O)CC=C,C=CC[S+](SCC=C)[O-],"InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2",JDLKFOPOAOFWQN-UHFFFAOYSA-N
BMGC_DG13718,BMG_DG177125,,,,
BMGC_DG13719,BMG_DG177129,C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,OC([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)=O,"InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1",IAJILQKETJEXLJ-QTBDOELSSA-N
BMGC_DG13720,BMG_DG177138,,O=C1OC2(c3c1cccc3)c4c(Oc5c2ccc(c5)OC(C)=O)cc(cc4)OC(C)=O,,CHADEQDQBURGHL-UHFFFAOYSA-N
BMGC_DG13721,BMG_DG177140,,[C@@H]1(O)[C@H](O)[C@]([C@]2([C@@](C1)(C)[C@@]3([C@@](CC2)([C@]4(C(=CC3)[C@@]5(CC(CC[C@]5(C(=O)O)CC4)(C)C)[H])C)C)[H])[H])(C(=O)O)C,,IDGXIXSKISLYAC-WNTKNEGGSA-N
BMGC_DG13722,BMG_DG177143,CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O,[C@@H]1([C@H]([C@@H]([C@H](O1)CO)O)O)n2c([nH]c(=O)c(c2)C)=O,"InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1",DWRXFEITVBNRMK-JAGXHNFQSA-N
BMGC_DG13723,BMG_DG177145,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)CO)O,[C@H]1([C@H](O[C@@H](n2c(nc(c(I)c2)N)=O)C1)CO)O,"InChI=1S/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1",WEVJJMPVVFNAHZ-RRKCRQDMSA-N
BMGC_DG13724,BMG_DG177146,,O=c1[nH]c(=O)c(C)cn1[C@H]2CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2,,URGJWIFLBWJRMF-JGVFFNPUSA-N
BMGC_DG13725,BMG_DG177154,C1[C@@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,,"InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m0/s1",LSHVYAFMTMFKBA-FPOVZHCZSA-N
BMGC_DG13726,BMG_DG177156,C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3,c1(c(-c2ccccc2)c1=O)-c3ccccc3,InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H,HCIBTBXNLVOFER-UHFFFAOYSA-N
BMGC_DG13727,BMG_DG177157,,C(\C1=C(C)CCCC1(C)C)=C/C(/C)=C/C=C/C(/C)=C/C(=O)NCC(O)CO,,FXQZICWUGFILLR-DZBDEXCTSA-N
BMGC_DG13728,BMG_DG177158,,,,
BMGC_DG13729,BMG_DG177159,C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC,C12=C(C(=O)C=C(C1=O)NC(/C(=C/C=C\[C@H](OC)[C@H](/C(=C/[C@@H]([C@H]([C@H](C[C@@H](C2)C)OC)O)C)/C)OC(=O)N)/C)=O)NCC=C,"InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1",AYUNIORJHRXIBJ-TXHRRWQRSA-N
BMGC_DG13730,BMG_DG177160,,,,
BMGC_DG13731,BMG_DG177172,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,O=c1[nH]c(=O)ccn1[C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2,"InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",JSRLJPSBLDHEIO-SHYZEUOFSA-N
BMGC_DG13732,BMG_DG177174,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](CCC3=C)O)C,[C@@]12(C)CCC/C(=C\C=C\3/C[C@@H](O)CCC3=C)/[C@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)(C)O,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12+/t20-,23+,24-,25+,27-/m1/s1",JWUBBDSIWDLEOM-WIFPIRAHSA-N
BMGC_DG13733,BMG_DG177176,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,O1c2c(c(O)cc(c2)O)C[C@H]([C@H]1c3cc(O)c(c(c3)O)O)OC(c4cc(O)c(c(c4)O)O)=O,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",WMBWREPUVVBILR-WIYYLYMNSA-N
BMGC_DG13734,BMG_DG177179,CC(=O)N[C@@H](CC(=O)O)C(=O)O,OC(=O)C[C@H](NC(=O)C)C(=O)O,"InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1",OTCCIMWXFLJLIA-BYPYZUCNSA-N
BMGC_DG13735,BMG_DG177189,,C([C@@H](NC(/C=C/c1cc(c(cc1)O)O)=O)Cc2cc(c(O)cc2)O)(=O)O,,GPZFXSWMDFBRGS-UXONFWTHSA-N
BMGC_DG13736,BMG_DG177191,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,,"InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",AHCYMLUZIRLXAA-SHYZEUOFSA-N
BMGC_DG13737,BMG_DG177196,,,,
BMGC_DG13738,BMG_DG177197,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C,C1[C@H](OS(=O)(=O)O)CC=2[C@](C)(C1)[C@@]3([C@](CC2)([H])[C@@]4(CC[C@@]([C@@H](CCCC(C)C)C)([H])[C@@]4(C)CC3)[H])[H],"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",BHYOQNUELFTYRT-DPAQBDIFSA-N
BMGC_DG13739,BMG_DG177198,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N,c1c(c2cccc(N(C)C)c2cc1)S(=O)(=O)N,"InChI=1S/C12H14N2O2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16)",TYNBFJJKZPTRKS-UHFFFAOYSA-N
BMGC_DG13740,BMG_DG177199,C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C(=C4)CN(CC(=O)O)CC(=O)O)O)OC5=C3C=C(C(=C5)O)CN(CC(=O)O)CC(=O)O,C1(=O)c2ccccc2C3(c4cc(c(O)cc4Oc5c3cc(CN(CC(O)=O)CC(O)=O)c(O)c5)CN(CC(O)=O)CC(=O)O)O1,"InChI=1S/C30H26N2O13/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)30(18-4-2-1-3-17(18)29(43)45-30)20-6-16(22(34)8-24(20)44-23)10-32(13-27(39)40)14-28(41)42/h1-8,33-34H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)",DEGAKNSWVGKMLS-UHFFFAOYSA-N
BMGC_DG13741,BMG_DG177202,C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O,C(O)(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1,"InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m1/s1",AAWZDTNXLSGCEK-WYWMIBKRSA-N;AAWZDTNXLSGCEK-LNVDRNJUSA-N
BMGC_DG13742,BMG_DG177208,C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O,O1c2c(c(O)cc(c2)O)C[C@@H]([C@H]1c3cc(O)c(c(c3)O)O)O,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",XMOCLSLCDHWDHP-SWLSCSKDSA-N
BMGC_DG13743,BMG_DG177213,,c1ccc2c(c1)nc(nc2N)N,,XELRMPRLCPFTBH-UHFFFAOYSA-N
BMGC_DG13744,BMG_DG177216,,c1cc(ccc1/C=C/c2cc[n+](cc2)CCC[N+](CC)(CC)CC)N(CCCC)CCCC,,OKZXHSSXTVFTDR-UHFFFAOYSA-N
BMGC_DG13745,BMG_DG177219,C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O,c1(ccc2c(c(c3c(c2)cco3)O)o1)=O,"InChI=1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H",JWVYQQGERKEAHW-UHFFFAOYSA-N
BMGC_DG13746,BMG_DG177220,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,,"InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",RGWHQCVHVJXOKC-SHYZEUOFSA-N
BMGC_DG13747,BMG_DG177221,C1=CC=NC(=C1)SSC2=CC=CC=N2,c1(ncccc1)SSc2ncccc2,InChI=1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H,HAXFWIACAGNFHA-UHFFFAOYSA-N
BMGC_DG13748,BMG_DG177222,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,[C@]1([H])([C@@H](CCCC(C)(C)O)C)[C@@]2([C@]([C@@]3(CC=C4C[C@H](CC[C@@]4([C@]3(CC2)[H])C)O)[H])(CC1)[H])C,"InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1",INBGSXNNRGWLJU-ZHHJOTBYSA-N
BMGC_DG13749,BMG_DG177225,,N[C@@H](CCC)C(=O)O,,SNDPXSYFESPGGJ-BYPYZUCNSA-N
BMGC_DG13750,BMG_DG177230,CN(C)C(=O)CCS[C@@H](C1=CC=CC(=C1)/C=C/C2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)O,n1c2cc(ccc2ccc1/C=C/c3cc([C@H](SCCC(N(C)C)=O)SCCC(=O)O)ccc3)Cl,"InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+/t26-/m1/s1",AXUZQJFHDNNPFG-LHAVAQOQSA-N
BMGC_DG13751,BMG_DG177234,CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@@H]([C@@H](C4)OC)Cl)/C)O)C)OC)OC)C)\C,[C@]12(C(C(N3[C@](C(O[C@](/C(=C/[C@H]4C[C@@H](OC)[C@H](CC4)Cl)/C)([C@@H]([C@H](CC([C@@H](/C=C(/C[C@@H](C[C@@H]([C@](O1)([H])[C@H](C[C@H]2C)OC)OC)C)\C)CC)=O)O)C)[H])=O)(CCCC3)[H])=O)=O)O,"InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1",KASDHRXLYQOAKZ-XDSKOBMDSA-N
BMGC_DG13752,BMG_DG177240,,,,
BMGC_DG13753,BMG_DG177248,C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,OP(=O)(O)OC[C@@H]1[C@@H](O)[C@H]([C@@H](O1)n2cnc(C(=O)N)c2N)O,"InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1",NOTGFIUVDGNKRI-UUOKFMHZSA-N
BMGC_DG13754,BMG_DG177255,C1=CC(=C(C=C1C[C@@H](C(=O)O)N)[N+](=O)[O-])O,Oc1c([N+]([O-])=O)cc(C[C@@H](C(O)=O)N)cc1,"InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1",FBTSQILOGYXGMD-LURJTMIESA-N
BMGC_DG13755,BMG_DG177257,CC(C)C1=C(C(=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C(=O)O)O)O,C1CC([C@@]2(CCc3c(c(c(c(c3)C(C)C)O)O)[C@]2(C1)C(=O)O)[H])(C)C,"InChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/t14-,20+/m0/s1",QRYRORQUOLYVBU-VBKZILBWSA-N
BMGC_DG13756,BMG_DG177260,C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N,c1c(C(N)=N)ccc(OCCCCCCOc2ccc(cc2)C(N)=N)c1,"InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)",OQLKNTOKMBVBKV-UHFFFAOYSA-N
BMGC_DG13757,BMG_DG177268,,P(O)(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(=O)OCC(O)CO,,BIABMEZBCHDPBV-UHFFFAOYSA-N
BMGC_DG13758,BMG_DG177273,CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](NC(C)=O)C=O,"InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m1/s1",MBLBDJOUHNCFQT-WCTZXXKLSA-N
BMGC_DG13759,BMG_DG177276,CCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,[C@@]12(CCC(=O)C=C1CC[C@]3([H])[C@@]2(CC[C@@]4(C)[C@]3(CC[C@@H]4OC(=O)CCCCCCCCCC)[H])[H])C,"InChI=1S/C30H48O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h21,24-27H,4-20H2,1-3H3/t24-,25-,26-,27-,29-,30-/m0/s1",UDSFVOAUHKGBEK-CNQKSJKFSA-N
BMGC_DG13760,BMG_DG177285,C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-],[N+]([O-])(=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O,"InChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2",TZRXHJWUDPFEEY-UHFFFAOYSA-N
BMGC_DG13761,BMG_DG177287,C1=CC(=C(C2=C1NC=C2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)Cl)Br,c1(c2c(c[nH]c2ccc1Br)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)Cl,"InChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11+,12+,13-,14-/m1/s1",OPIFSICVWOWJMJ-AEOCFKNESA-N
BMGC_DG13762,BMG_DG177290,,C([C@@H](Nc1c(cccc1)C(c2ccccc2)=O)Cc3ccc(OCCN(c4ccccn4)C)cc3)(=O)O,,QTQMRBZOBKYXCG-MHZLTWQESA-N
BMGC_DG13763,BMG_DG177293,CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C=C3O2,c1cccc2c1c(cc-3oc4c(nc23)ccc(c4)N(CC)CC)=O,"InChI=1S/C20H18N2O2/c1-3-22(4-2)13-9-10-16-18(11-13)24-19-12-17(23)14-7-5-6-8-15(14)20(19)21-16/h5-12H,3-4H2,1-2H3",VOFUROIFQGPCGE-UHFFFAOYSA-N
BMGC_DG13764,BMG_DG177297,,c1c2c(cc3c1C=CC(O3)(C)C)oc(cc2)=O,,QOTBQNVNUBKJMS-UHFFFAOYSA-N
BMGC_DG13765,BMG_DG177313,CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C,n1c2c(ccc3ccc(nc23)C)ccc1C,"InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3",IYRGXJIJGHOCFS-UHFFFAOYSA-N
BMGC_DG13766,BMG_DG177314,C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O,c1(cc(c(c(c1)O)O)O)C(=O)OC[C@H]2O[C@@H](OC(c3cc(c(c(c3)O)O)O)=O)[C@@H]([C@H]([C@@H]2OC(c4cc(c(c(c4)O)O)O)=O)OC(c5cc(c(c(c5)O)O)O)=O)OC(c6cc(c(c(c6)O)O)O)=O,"InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1",QJYNZEYHSMRWBK-NIKIMHBISA-N
BMGC_DG13767,BMG_DG177316,[O-]P(=O)([O-])F,FP(=O)([O-])[O-],"InChI=1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4)/p-2",DWYMPOCYEZONEA-UHFFFAOYSA-L
BMGC_DG13768,BMG_DG177319,,[C@H]([C@@H]([C@@H](CO)O)O)(C(COP(=O)(O)O)=O)O,,ZKLLSNQJRLJIGT-UYFOZJQFSA-N
BMGC_DG13769,BMG_DG177322,CC(=O)N[C@@H](CO)C(=O)O,N([C@H](C(=O)O)CO)C(C)=O,"InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1",JJIHLJJYMXLCOY-BYPYZUCNSA-N
BMGC_DG13770,BMG_DG177324,C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCC(=C)C(C)C)C)C,C1[C@H](O)[C@H]([C@@]2(CCC3=C(CC[C@@]4([C@@](CC[C@@]34C)([H])[C@@H](CCC(C(C)C)=C)C)C)[C@@]2(C)C1)[H])C,"InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h19,21-24,27,31H,3,9-18H2,1-2,4-8H3/t21-,22+,23-,24+,27+,28+,29-,30+/m1/s1",MMNYKQIDRZNIKT-VSADUBDNSA-N
BMGC_DG13771,BMG_DG177327,,,,
BMGC_DG13772,BMG_DG177329,CCC(C)(CC)OC(=O)N,C(OC(CC)(CC)C)(=O)N,"InChI=1S/C7H15NO2/c1-4-7(3,5-2)10-6(8)9/h4-5H2,1-3H3,(H2,8,9)",SLWGJZPKHAXZQL-UHFFFAOYSA-N
BMGC_DG13773,BMG_DG177331,CC(C)OC(=O)OC(C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)N)COC,N12C(=O)[C@H]([C@]1(SCC(=C2C(OC(OC(=O)OC(C)C)C)=O)COC)[H])NC(/C(/c3nc(N)sc3)=N\OC)=O,"InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13-/t10?,14-,18-/m1/s1",LTINZAODLRIQIX-FBXRGJNPSA-N
BMGC_DG13774,BMG_DG177336,,c12c(c(nc(n1)N)OC)nc[nH]2,,BXJHWYVXLGLDMZ-UHFFFAOYSA-N
BMGC_DG13775,BMG_DG177340,CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C2CSC(=N2)C(C(C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4,,"InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)",CLKOFPXJLQSYAH-UHFFFAOYSA-N
BMGC_DG13776,BMG_DG177350,,,,
BMGC_DG13777,BMG_DG177351,,N(C(c1ccccc1O)=O)NC(c2c(cccc2)O)=O,,UORSDGBOJHYJLV-UHFFFAOYSA-N
BMGC_DG13778,BMG_DG177352,C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C(N=CN=C32)N,Nc1ncnc2n([C@H]3CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)cnc21,"InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1",OAKPWEUQDVLTCN-NKWVEPMBSA-N
BMGC_DG13779,BMG_DG177353,COC1=C[C@]23CCCN2CCC4=CC5=C(C=C4[C@@H]3[C@@H]1O)OCO5,[H][C@@]12c3cc4OCOc4cc3CCN5CCC[C@@]52C=C([C@H]1O)OC,"InChI=1S/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+/m1/s1",YMNCVRSYJBNGLD-KURKYZTESA-N
BMGC_DG13780,BMG_DG177356,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,[C@H]([C@@H](CO)O)(O)[C@]1([C@H](NC(C)=O)[C@@H](O)C=C(O1)C(O)=O)[H],"InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1",JINJZWSZQKHCIP-UFGQHTETSA-N
BMGC_DG13781,BMG_DG177375,CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)O,N12C(=O)[C@H]([C@]1(SCC=C2C(O)=O)[H])NC(\C(\c3nc(N)sc3)=N/OC)=O,"InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1",NNULBSISHYWZJU-LLKWHZGFSA-N
BMGC_DG13782,BMG_DG177385,CCOP(=O)(OCC)OCC,CCOP(=O)(OCC)OCC,"InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3",DQWPFSLDHJDLRL-UHFFFAOYSA-N
BMGC_DG13783,BMG_DG177389,,n1(c([nH]c(c(c1)C)=O)=O)[C@@H]2O[C@H](COP(OP(=O)(OP(=O)(O)O)O)(O)=O)C=C2,,ODSQODTUNULBHF-JGVFFNPUSA-N
BMGC_DG13784,BMG_DG177391,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,[C@H](C(NCC(=O)O)=O)(NC(=O)CC[C@@H](C(=O)O)N)CSSC[C@@H](C(NCC(=O)O)=O)NC(=O)CC[C@@H](C(=O)O)N,"InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1",YPZRWBKMTBYPTK-BJDJZHNGSA-N
BMGC_DG13785,BMG_DG177392,CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)C)O,C(c1ccc(cc1)C)(c2ccc(cc2)OCCN(CC)CC)(Cc3ccc(cc3)Cl)O,"InChI=1S/C27H32ClNO2/c1-4-29(5-2)18-19-31-26-16-12-24(13-17-26)27(30,23-10-6-21(3)7-11-23)20-22-8-14-25(28)15-9-22/h6-17,30H,4-5,18-20H2,1-3H3",SYHDSBBKRLVLFF-UHFFFAOYSA-N
BMGC_DG13786,BMG_DG177398,CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Mg+2],[Mg+2].OC(C([O-])=O)C.OC(C([O-])=O)C,"InChI=1S/2C3H6O3.Mg/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",OVGXLJDWSLQDRT-UHFFFAOYSA-L
BMGC_DG13787,BMG_DG177410,C[C@@H](C(=O)O)N.C1=CC(=CC=C1C[C@@H](C(=O)O)N)O.C(CCN)C[C@@H](C(=O)O)N.C(CC(=O)O)[C@@H](C(=O)O)N,,"InChI=1S/C9H11NO3.C6H14N2O2.C5H9NO4.C3H7NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;7-4-2-1-3-5(8)6(9)10;6-3(5(9)10)1-2-4(7)8;1-2(4)3(5)6/h1-4,8,11H,5,10H2,(H,12,13);5H,1-4,7-8H2,(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10);2H,4H2,1H3,(H,5,6)/t8-;5-;3-;2-/m0000/s1",YLOCGHYTXIINAI-XKUOMLDTSA-N
BMGC_DG13788,BMG_DG177419,COC1=C(C=CC(=C1)C[C@@H](CO)[C@@H](CC2=CC(=C(C=C2)O)OC)CO)O,c1(cc(c(O)cc1)OC)C[C@@H](CO)[C@@H](Cc2ccc(c(c2)OC)O)CO,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1",PUETUDUXMCLALY-HOTGVXAUSA-N
BMGC_DG13789,BMG_DG177421,,n1(c([nH]c(=O)c(c1)C)=O)[C@@H]2O[C@H](COP(O)(O)=O)[C@H](C2)N=[N+]=[N-],,OIFWQOKDSPDILA-XLPZGREQSA-N
BMGC_DG13790,BMG_DG177422,,CN(CC/C=C/1\c2ccsc2SCc3c1cccc3)C,,ZLJLUTCIUOCIQM-NVNXTCNLSA-N
BMGC_DG13791,BMG_DG177465,,,,
BMGC_DG13792,BMG_DG177466,,C(/C=C/c1c(cccc1)OCc2c(cccc2)C)=O,,BIYYAALWGHMYTO-UXBLZVDNSA-N
BMGC_DG13793,BMG_DG177468,C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)C[C@@H]([C@H](COCC1=CC=C(C=C1)Br)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=N2)O,,"InChI=1S/C32H45BrN6O7/c1-18(2)14-24(29(34)42)37-30(43)20(5)36-27(41)15-26(40)25(17-46-16-21-9-11-22(33)12-10-21)38-32(45)28(19(3)4)39-31(44)23-8-6-7-13-35-23/h6-13,18-20,24-26,28,40H,14-17H2,1-5H3,(H2,34,42)(H,36,41)(H,37,43)(H,38,45)(H,39,44)/t20-,24-,25-,26-,28-/m0/s1",QXHNYZQKWOKULQ-QPGFMSSHSA-N
BMGC_DG13794,BMG_DG177469,,COc1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1,,GBNWWXHUOVAUHT-UHFFFAOYSA-N
BMGC_DG13795,BMG_DG177474,,CC1=C(c2cccnc2)CCc3ccccc13,,WBEMJRFRGOAAJI-UHFFFAOYSA-N
BMGC_DG13796,BMG_DG177477,,,,
BMGC_DG13797,BMG_DG177478,,,,
BMGC_DG13798,BMG_DG177479,,,,
BMGC_DG13799,BMG_DG177480,,,,
BMGC_DG13800,BMG_DG177481,,,,
BMGC_DG13801,BMG_DG177482,,,,
BMGC_DG13802,BMG_DG177483,,,,
BMGC_DG13803,BMG_DG177484,,,,
BMGC_DG13804,BMG_DG177490,CCC(CO)NC(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C,,"InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15?,19-/m1/s1",KPJZHOPZRAFDTN-NQUBZZJWSA-N
BMGC_DG13805,BMG_DG177495,CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OC(=O)C)CCC4=C/C(=N/O)/CC[C@H]34,[C@]12([C@@](C#C)(OC(=O)C)CC[C@]1([C@]3([C@]([C@@]4(C(=C/C(=N/O)/CC4)CC3)[H])([H])CC2)[H])[H])CC,"InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1",KIQQMECNKUGGKA-NMYWJIRASA-N
BMGC_DG13806,BMG_DG177500,,,,
BMGC_DG13807,BMG_DG177501,C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)NC(=O)/C=C/C7=CC=C(C=C7)Cl,,"InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,27+,28+,29-/m1/s1",RAURUSFBVQLAPW-DNIKMYEQSA-N
BMGC_DG13808,BMG_DG177504,C1=CC(=CC=C1CSC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)[N+](=O)[O-],O[C@H]1[C@H](n2c3c(nc2)c(SCc4ccc(cc4)[N+](=O)[O-])ncn3)O[C@@H]([C@H]1O)CO,"InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1",DYCJFJRCWPVDHY-LSCFUAHRSA-N
BMGC_DG13809,BMG_DG177538,,,,
BMGC_DG13810,BMG_DG177550,CC[C@H]([C@H]1[C@H](C[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C)C(=O)O,CC[C@H]([C@]1([H])O[C@]([C@H]([C@H](O)[C@@H](C([C@@H]([C@]2(O[C@@]3([C@@H](C[C@@H]2C)C)C=C[C@H]([C@]4(O3)O[C@](CC4)(C)[C@]5(CC[C@@]([C@@H](O5)C)(CC)O)[H])O)[H])CC)=O)C)C)([H])[C@@H](C)C[C@@H]1C)C(=O)O,"InChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1",VHKXXVVRRDYCIK-CWCPJSEDSA-N
BMGC_DG13811,BMG_DG177554,,,,
BMGC_DG13812,BMG_DG177576,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,[C@@H]1([C@H](n2c3ncnc(N)c3nc2)O[C@@H]([C@H]1O)C[C@H](CC[C@@H](C(=O)O)N)N)O,"InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1",LMXOHSDXUQEUSF-YECHIGJVSA-N
BMGC_DG13813,BMG_DG177581,CC(=CCCC(C)(C=C)O)C,C=CC(C)(CCC=C(C)C)O,"InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3",CDOSHBSSFJOMGT-UHFFFAOYSA-N
BMGC_DG13814,BMG_DG177582,,c1(ccc2n(c([nH]c2c1)=O)C3CCN(CC3)CCNC(=O)c4ccc(cc4)F)Cl,,NBHPRWLFLUBAIE-UHFFFAOYSA-N
BMGC_DG13815,BMG_DG177584,C[C@@H](C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O,c1(c(c(C(NC(CO)CO)=O)c(c(c1I)NC(=O)[C@@H](O)C)I)I)C(NC(CO)CO)=O,"InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1",XQZXYNRDCRIARQ-LURJTMIESA-N
BMGC_DG13816,BMG_DG177591,CCOP(=S)(O)OCC,P(OCC)(OCC)(=O)S,"InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)",PKUWKAXTAVNIJR-UHFFFAOYSA-N
BMGC_DG13817,BMG_DG177594,C[C@@H]1CCC[C@@H](N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C,,"InChI=1S/C22H30N2O/c1-18-10-8-11-19(2)24(18)17-9-15-22(25,20-12-4-3-5-13-20)21-14-6-7-16-23-21/h3-7,12-14,16,18-19,25H,8-11,15,17H2,1-2H3/t18-,19+,22?",APUDBKTWDCXQJA-QIDMFYOTSA-N
BMGC_DG13818,BMG_DG177600,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O,C[C@]12CC[C@H](O)CC1=C[C@@H](O)[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@@]32[H],"InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13-,14-,15+,17-,18-,19-/m0/s1",OLPSAOWBSPXZEA-JIEICEMKSA-N
BMGC_DG13819,BMG_DG177605,C(CCN)CCNCCCN,,"InChI=1S/C8H21N3/c9-5-2-1-3-7-11-8-4-6-10/h11H,1-10H2",QZBYOYPROVGOGE-UHFFFAOYSA-N
BMGC_DG13820,BMG_DG177606,C1=CC(=CC=C1CN)C(=O)O,NCc1ccc(cc1)C(O)=O,"InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)",QCTBMLYLENLHLA-UHFFFAOYSA-N
BMGC_DG13821,BMG_DG177609,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,O([C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)P(O)(=O)O,"InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1",HXXFSFRBOHSIMQ-VFUOTHLCSA-N
BMGC_DG13822,BMG_DG177611,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)SC1)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)COC(=O)C)[H])NC(=O)CCC[C@H](C(=O)O)N,"InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9-,11-,14-/m1/s1",HOKIDJSKDBPKTQ-GLXFQSAKSA-N
BMGC_DG13823,BMG_DG177620,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@H](C4=CC(=O)CC[C@]34C)O,C[C@]12CCC(=O)C=C1[C@H](O)C[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@@]32[H],"InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1",XSEGWEUVSZRCBC-ZVBLRVHNSA-N
BMGC_DG13824,BMG_DG177621,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@H](C4=CC(=O)CC[C@]34C)O,C1C[C@@]2([C@@]3([C@@](C[C@H](C2=CC1=O)O)([C@]4([C@](CC3)(C(CC4)=O)C)[H])[H])[H])C,"InChI=1S/C19H26O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16,21H,3-8,10H2,1-2H3/t12-,13-,14-,16+,18+,19-/m0/s1",WVAMBAWFDOYFOD-DQXCSHPPSA-N
BMGC_DG13825,BMG_DG177622,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@@H]4O)O)C,C[C@]12CCC(=O)C=C1CC[C@@]3([H])[C@]4([H])C[C@@H](O)[C@H](O)[C@@]4(C)CC[C@@]32[H],"InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14+,15+,16-,17+,18+,19+/m1/s1",YMCWOAZGWMZGQT-FPNLOETNSA-N
BMGC_DG13826,BMG_DG177627,,c1(cc(CC(O)=O)cc(c1Oc2cc(c(c(c2)I)O)I)I)I,,PPJYSSNKSXAVDB-UHFFFAOYSA-N
BMGC_DG13827,BMG_DG177628,C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O)O,C[C@]12CC[C@@H](O)C[C@@]1([H])CC[C@@]3([H])[C@]4([H])CC[C@H](C(=O)CO)[C@@]4(C)C[C@H](O)[C@@]32[H],"InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,19-,20+,21+/m1/s1",RHQQHZQUAMFINJ-DTDWNVJFSA-N
BMGC_DG13828,BMG_DG177629,C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C,C1C[C@]2([C@@]3(CC[C@@]4(CC(CC[C@]4(C)[C@@]3([H])C(C[C@@]2([C@@]1(O)C(=O)CO)C)=O)=O)[H])[H])[H],"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14+,15+,18-,19+,20+,21+/m1/s1",YCLWEYIBFOLMEM-FNLRALKVSA-N
BMGC_DG13829,BMG_DG177632,,N(C(=O)c1c(Cl)cc(cc1)C(Nc2ccc(cc2)C=3NCCN3)=O)c4ccc(cc4)C=5NCCN5,,UJQGBYRKCZQJJS-UHFFFAOYSA-N
BMGC_DG13830,BMG_DG177636,,n1([C@H]2[C@H](O)C[C@@H](COP(O)(OP(OP(O)(O)=O)(O)=O)=O)O2)cnc3c(N)ncnc31,,NLIHPCYXRYQPSD-BAJZRUMYSA-N
BMGC_DG13831,BMG_DG177639,,c1cc2S(OC(c2cc1)(c3c(cc(c(c3)C(C)C)O)C)c4cc(c(cc4C)O)C(C)C)(=O)=O,,PRZSXZWFJHEZBJ-UHFFFAOYSA-N
BMGC_DG13832,BMG_DG177642,,c1(c(Br)cc(C2(OC(c3c2cccc3)=O)c4cc(c(O)c(c4)Br)Br)cc1Br)O,,OBRGVMYQZVQHGO-UHFFFAOYSA-N
BMGC_DG13833,BMG_DG177658,C[N+](C)(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)[O-],c12ccccc2N(c3ccccc3CC1)CCC[N+]([O-])(C)C,"InChI=1S/C19H24N2O/c1-21(2,22)15-7-14-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-11H,7,12-15H2,1-2H3",QZIQORUGXBPDSU-UHFFFAOYSA-N
BMGC_DG13834,BMG_DG177664,CC(C)N1CC(C2=CC(=C(C=C21)O)N=NC(=O)N)O,C/1(=N\NC(N)=O)\C(=O)C=C2C(=C1)C(CN2C(C)C)O,"InChI=1S/C12H16N4O3/c1-6(2)16-5-11(18)7-3-8(14-15-12(13)19)10(17)4-9(7)16/h3-4,6,11,17-18H,5H2,1-2H3,(H2,13,19)",XZKVIDLLLOUTSS-ZSOIEALJSA-N;AIGVHODMVKGZDA-UHFFFAOYSA-N
BMGC_DG13835,BMG_DG177665,,C1SCc2c([nH]c3ccc(cc23)C(=O)OCCN(C)C)C1,,WNDHLINIYZAWCR-UHFFFAOYSA-N
BMGC_DG13836,BMG_DG177669,CC(C)CO,OCC(C)C,"InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3",ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
BMGC_DG13837,BMG_DG177670,C1CN2CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O,C1CC2C(CN1CC2)C(c3ccccc3)(O)c4ccccc4,"InChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,16,19,22H,11-15H2",PZMAHNDJABQWGS-UHFFFAOYSA-N
BMGC_DG13838,BMG_DG177691,,CC(NC=O)Cc1ccccc1,,SGSYPSYCGPLSML-UHFFFAOYSA-N
BMGC_DG13839,BMG_DG177702,CN(C)CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=CC=C3,c1(c2c(c(=O)n(CCN(C)C)n1)cccc2)Cc3ccccc3,"InChI=1S/C19H21N3O/c1-21(2)12-13-22-19(23)17-11-7-6-10-16(17)18(20-22)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3",LCAAMXMULMCKLJ-UHFFFAOYSA-N
BMGC_DG13840,BMG_DG177706,CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O,n1c2cc(ccc2n(c1CCCC(O)=O)C)N(CCCl)CCCl,"InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)",YTKUWDBFDASYHO-UHFFFAOYSA-N
BMGC_DG13841,BMG_DG177711,C1CSC(=O)C1NC(=O)CSCC(=O)O,C1CSC(C1NC(CSCC(=O)O)=O)=O,"InChI=1S/C8H11NO4S2/c10-6(3-14-4-7(11)12)9-5-1-2-15-8(5)13/h5H,1-4H2,(H,9,10)(H,11,12)",QGFORSXNKQLDNO-UHFFFAOYSA-N
BMGC_DG13842,BMG_DG177715,CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CCC3=CC(=C(C=C3)OC)OC,c1c(CCN(CCCN2CCc3c(CC2=O)cc(c(c3)OC)OC)C)cc(OC)c(c1)OC,"InChI=1S/C26H36N2O5/c1-27(13-9-19-7-8-22(30-2)23(15-19)31-3)11-6-12-28-14-10-20-16-24(32-4)25(33-5)17-21(20)18-26(28)29/h7-8,15-17H,6,9-14,18H2,1-5H3",KEDQCFRVSHYKLR-UHFFFAOYSA-N
BMGC_DG13843,BMG_DG177716,,c1(CCN(CCCC(CCCCCCCCCCCC)(C#N)c2ccccc2)C)ccccc1,,KLBJRPVUPJXXCM-UHFFFAOYSA-N
BMGC_DG13844,BMG_DG177736,C1=CC=C(C=C1)[C@H](C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O,,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?/m0/s1",XUCIJNAGGSZNQT-VEXRWARGSA-N
BMGC_DG13845,BMG_DG177739,C1CNCCC1OCC2=CC3=CC=CC=C3C=C2,c1c2ccccc2cc(COC3CCNCC3)c1,"InChI=1S/C16H19NO/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16/h1-6,11,16-17H,7-10,12H2",MJJDYOLPMGIWND-UHFFFAOYSA-N
BMGC_DG13846,BMG_DG177746,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)O)C,N12[C@@](SC([C@@H]1C(O)=O)(C)C)([H])[C@@H](C2=O)NC([C@H](NC(N3C(N(S(=O)(=O)C)CC3)=O)=O)c4ccccc4)=O,"InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1",YPBATNHYBCGSSN-VWPFQQQWSA-N
BMGC_DG13847,BMG_DG177748,C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O,O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O[C@H](c2ccccc2)C#N)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",XUCIJNAGGSZNQT-JHSLDZJXSA-N
BMGC_DG13848,BMG_DG177765,C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)S(=O)(=O)O)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N,N12C(=O)[C@H]([C@]1(SCC(=C2C([O-])=O)C[n+]3ccc(C(=O)N)cc3)[H])NC([C@H](S(=O)(=O)O)c4ccccc4)=O,"InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/t15-,17-,21-/m1/s1",SYLKGLMBLAAGSC-QLVMHMETSA-N
BMGC_DG13849,BMG_DG177767,C1=CC(=CC=C1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],[N+](c1ccc([C@H]([C@H](NC(C(Cl)Cl)=O)COC(=O)CCC(=O)O)O)cc1)([O-])=O,"InChI=1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)/t10-,13-/m1/s1",LIRCDOVJWUGTMW-ZWNOBZJWSA-N
BMGC_DG13850,BMG_DG177768,C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[Na+],S1([N-]C(=O)c2c1cccc2)(=O)=O.[Na+],"InChI=1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1/p-1",WINXNKPZLFISPD-UHFFFAOYSA-M
BMGC_DG13851,BMG_DG177769,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@]45[C@@]3(CC(=C([C@H]4O5)O)C#N)C,[C@]123[C@@](C(O)=C(C[C@@]1([C@]4(CC[C@]5([C@]([C@@]4(CC2)[H])(CC[C@@H]5O)[H])C)[H])C)C#N)(O3)[H],"InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1",KVJXBPDAXMEYOA-CXANFOAXSA-N
BMGC_DG13852,BMG_DG177771,,c1(C(NCCCN2CCOCC2)=O)ccc(cc1)Cl,,YYFGRAGNYHYWEZ-UHFFFAOYSA-N
BMGC_DG13853,BMG_DG177774,,[C@H]1(OC([C@H](CO)c2ccccc2)=O)C[C@H]3CC[C@@H](C1)[N+]3(C)Cc4ccc(cc4)OCCCC,,ALVDDLOWVXJXCD-OTSXCXJCSA-N
BMGC_DG13854,BMG_DG177787,CC(C)(C(=O)N[C@@H](CS)C(=O)O)S,C(N[C@H](C(=O)O)CS)(C(S)(C)C)=O,"InChI=1S/C7H13NO3S2/c1-7(2,13)6(11)8-4(3-12)5(9)10/h4,12-13H,3H2,1-2H3,(H,8,11)(H,9,10)/t4-/m0/s1",VUAFHZCUKUDDBC-BYPYZUCNSA-N
BMGC_DG13855,BMG_DG177794,C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CCC(=O)O)O)C,[C@@]12([C@@]3([C@]([C@@]4(CC[C@]([C@@]4(C)CC3)(CCC(=O)O)O)[H])(C=CC2=CC(CC1)=O)[H])[H])C,"InChI=1S/C22H30O4/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25/h3-4,13,16-18,26H,5-12H2,1-2H3,(H,24,25)/t16-,17+,18+,20+,21+,22-/m1/s1",PBKZPPIHUVSDNM-WNHSNXHDSA-N
BMGC_DG13856,BMG_DG177796,C1C[C@H](N2[C@H](C1)SCC[C@@H](C2=O)NC(=O)[C@H](CC3=CC=CC=C3)S)C(=O)O,N12C([C@@H](NC([C@H](Cc3ccccc3)S)=O)CCS[C@]1(CCC[C@H]2C(=O)O)[H])=O,"InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1",LVRLSYPNFFBYCZ-VGWMRTNUSA-N
BMGC_DG13857,BMG_DG177797,CCOC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,O(C(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CC,"InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1",SRVFFFJZQVENJC-IHRRRGAJSA-N
BMGC_DG13858,BMG_DG177798,C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC(=O)C)O,[H][C@]12[C@](C)(CC[C@@H](C1)O[C@H]3C[C@H](O)[C@@H]([C@@H](C)O3)O[C@H]4C[C@H](O)[C@@H]([C@@H](C)O4)O[C@H]5C[C@H](OC(C)=O)[C@@H]([C@@H](C)O5)O[C@@H]6O[C@H](CO)[C@H]([C@H](O)[C@H]6O)O)[C@@]7([H])C[C@H]([C@]8(C)[C@H](CC[C@]8(O)[C@]7([H])CC2)C=9COC(=O)C9)O,"InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1",JAYAGJDXJIDEKI-PTGWOZRBSA-N
BMGC_DG13859,BMG_DG177800,COC1=CC(=CC(=C1OC)OC)C[C@H]2C3=CC(=C(C=C3CCN2)O)O.Cl,Cl.C1c2c(cc(c(O)c2)O)[C@H](Cc3cc(c(c(c3)OC)OC)OC)NC1,"InChI=1S/C19H23NO5.ClH/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14;/h7-10,14,20-22H,4-6H2,1-3H3;1H/t14-;/m0./s1",UHSXRTHJCJGEKG-UQKRIMTDSA-N
BMGC_DG13860,BMG_DG177804,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,,"InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3",ONJQDTZCDSESIW-UHFFFAOYSA-N
BMGC_DG13861,BMG_DG177812,CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].C[N+](C)(C)CCO,n1(c2c(c(=O)n(C)c1=O)nc[n-]2)C.[N+](CCO)(C)(C)C,"InChI=1S/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3,12H,1-2H3;7H,4-5H2,1-3H3/q;+1/p-1",RLANKEDHRWMNRO-UHFFFAOYSA-M;SOELXOBIIIBLRJ-UHFFFAOYSA-M
BMGC_DG13862,BMG_DG177814,C([C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O)Br,BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,"InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4-,5-,6-/m1/s1",VFKZTMPDYBFSTM-KVTDHHQDSA-N
BMGC_DG13863,BMG_DG177820,CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=CC=CC=C43,c1(C(O[C@@H]2C[C@H]3N(C)[C@@H](C2)CC3)=O)c[nH]c4c1cccc4,"InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13?",ZNRGQMMCGHDTEI-FUNVUKJBSA-N;ZNRGQMMCGHDTEI-ITGUQSILSA-N
BMGC_DG13864,BMG_DG177823,CC1=C([C@H](C(=C(N1)C)C(=O)O[C@@H]2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC,C=1([C@@H](C(C(=O)OC)=C(NC1C)C)c2cc([N+]([O-])=O)ccc2)C(O[C@H]3CN(Cc4ccccc4)CCC3)=O,"InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3/t23-,26-/m1/s1",QZVNQOLPLYWLHQ-ZEQKJWHPSA-N
BMGC_DG13865,BMG_DG177824,CC[C@@H](C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O,N12[C@@](O[C@@](C1=O)(C(C)C)NC([C@@H]3C[C@@]4([H])[C@]([H])(N(C3)C)Cc5c6c4cccc6[nH]c5)=O)([C@@]7([H])N(C([C@]2([H])[C@@H](CC)C)=O)CCC7)O,"InChI=1S/C32H43N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38)/t18-,20-,22-,24-,25+,27+,31-,32+/m1/s1",SBFXHXZNBNFPHV-PXXBSISHSA-N
BMGC_DG13866,BMG_DG177841,,C(c1ccccc1)(=O)Nc2ccc(cc2)C(CNS(=O)(=O)C(C)C)C,,SQLIWPPPMPRBNN-UHFFFAOYSA-N
BMGC_DG13867,BMG_DG177844,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O)N,c1(c(cc(c2C(c3ccccc3C(c21)=O)=O)Nc4cc(c(cc4)Nc5nc(nc(n5)Cl)Nc6cc(ccc6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N,"InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)",JQYMGXZJTCOARG-UHFFFAOYSA-N
BMGC_DG13868,BMG_DG177845,CCOC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OCC,,"InChI=1S/C15H14O5/c1-3-17-12-9-5-6-11(16)20-14(9)15(18-4-2)13-10(12)7-8-19-13/h5-8H,3-4H2,1-2H3",XZJRLHJHYQCJTH-UHFFFAOYSA-N
BMGC_DG13869,BMG_DG177846,,C12(C(NC(N1)=O)=O)c3c(ccc(c3)F)-c4c2cc(cc4)F,,QCCHBHSAIQIQGO-UHFFFAOYSA-N
BMGC_DG13870,BMG_DG177848,,C(c1c(Cl)cccc1)(n2cccn2)(c3ccccc3)c4ccccc4,,KBFUQFVFYYBHBT-UHFFFAOYSA-N
BMGC_DG13871,BMG_DG177858,,COc1cc(CCN(CCCN(c2ccc(c(c2)OC)OC)C(c3ccc([N+](=O)[O-])cc3)=O)C)ccc1OC,,ADAGRLDCCJAKFP-UHFFFAOYSA-N
BMGC_DG13872,BMG_DG177864,CN1C2=C(C3=CC=CC=C3S1(=O)=O)OC(=O)N(C2=O)C4=CC=CC=N4,n1ccccc1-n2c(c3c(-c4c(cccc4)S(=O)(=O)N3C)oc2=O)=O,"InChI=1S/C16H11N3O5S/c1-18-13-14(10-6-2-3-7-11(10)25(18,22)23)24-16(21)19(15(13)20)12-8-4-5-9-17-12/h2-9H,1H3",OEHFRZLKGRKFAS-UHFFFAOYSA-N
BMGC_DG13873,BMG_DG177867,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CCC(=O)O)O)CCC4=CC(=O)C=C[C@]34C)O,[C@]12([C@@](C(COC(=O)CCC(=O)O)=O)(CC[C@]1([C@]3([C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C2)O)[H])[H])[H])O)C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",APGDTXUMTIZLCJ-CGVGKPPMSA-N
BMGC_DG13874,BMG_DG177908,,,,
BMGC_DG13875,BMG_DG177909,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,,"InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1",CGVLVOOFCGWBCS-RGDJUOJXSA-N
BMGC_DG13876,BMG_DG177910,,c1(OCC(CNC(C)(C)C)O)ccccc1-c2ccccc2,,DBHPVKNFKBKJCE-UHFFFAOYSA-N
BMGC_DG13877,BMG_DG177911,,,,
BMGC_DG13878,BMG_DG177912,,,,
BMGC_DG13879,BMG_DG177913,,,,
BMGC_DG13880,BMG_DG177914,,,,
BMGC_DG13881,BMG_DG177915,,,,
BMGC_DG13882,BMG_DG177919,,,,
BMGC_DG13883,BMG_DG177920,,,,
BMGC_DG13884,BMG_DG177923,,,,
BMGC_DG13885,BMG_DG177925,,,,
BMGC_DG13886,BMG_DG177926,,N#CCc1cc(O)cc2cc(-c3ccc(O)cc3)oc12,,ZKJVCUXZMYKTLT-UHFFFAOYSA-N
BMGC_DG13887,BMG_DG177927,C=CC1=C2C(=CC(=C1)O)N=C(O2)C3=CC(=C(C=C3)O)F,n1c(oc2c1cc(cc2C=C)O)-c3cc(c(cc3)O)F,"InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2",MQIMZDXIAHJKQP-UHFFFAOYSA-N
BMGC_DG13888,BMG_DG177928,,,,
BMGC_DG13889,BMG_DG177929,CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C,[C@]123[C@]([C@@]([C@H](OC(=O)CSCCN(CC)CC)C[C@]([C@H]([C@@H]1C)O)(C=C)C)(C)[C@@H](CC2)C)(C(=O)CC3)[H],"InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1",UURAUHCOJAIIRQ-QGLSALSOSA-N
BMGC_DG13890,BMG_DG177930,,,,
BMGC_DG13891,BMG_DG177932,,CCOC(=O)c1c(C)n(nc1C)-c2ccc(OC)cc2,,ZDSXCFSUGVAQSB-UHFFFAOYSA-N
BMGC_DG13892,BMG_DG177933,,CCOC(=O)c1c(C)nn(-c2ccc(N)cc2)c1C,,FIEYZIRYXYDMSK-UHFFFAOYSA-N
BMGC_DG13893,BMG_DG177935,,,,
BMGC_DG13894,BMG_DG177936,,CCOC(=O)c1c(C)nn(c1C)-c2cccc(c2)[N+](=O)[O-],,MSYGAHOHLUJIKV-UHFFFAOYSA-N
BMGC_DG13895,BMG_DG177938,,,,
BMGC_DG13896,BMG_DG177940,CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O,,"InChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)/t6-/m0/s1",WMQMIOYQXNRROC-LURJTMIESA-N
BMGC_DG13897,BMG_DG177941,,,,
BMGC_DG13898,BMG_DG177942,,,,
BMGC_DG13899,BMG_DG177947,,,,
BMGC_DG13900,BMG_DG177949,,,,
BMGC_DG13901,BMG_DG177952,C1CN(P(=O)(OC1)N(CCCl)CCCl)CCCl,C1CN(CCCl)P(OC1)(N(CCCl)CCCl)=O,"InChI=1S/C9H18Cl3N2O2P/c10-2-6-13-5-1-9-16-17(13,15)14(7-3-11)8-4-12/h1-9H2",UMKFEPPTGMDVMI-UHFFFAOYSA-N
BMGC_DG13902,BMG_DG177961,,c1cc(c2c(c1)ncc(-c3ccc(cc3)Cl)n2)C(=O)N,,FLYGLPYJEQPCFY-UHFFFAOYSA-N
BMGC_DG13903,BMG_DG177963,,,,
BMGC_DG13904,BMG_DG177964,,,,
BMGC_DG13905,BMG_DG177967,,,,
BMGC_DG13906,BMG_DG177970,,O(c1cc(sc2ccccc12)=O)CCCN(C)C,,DIOZFKOOIBATNZ-UHFFFAOYSA-N
BMGC_DG13907,BMG_DG177971,,,,
BMGC_DG13908,BMG_DG177972,,n1c2ccccc2[nH]c1CCC(O)=O,,XYWJNTOURDMTPI-UHFFFAOYSA-N
BMGC_DG13909,BMG_DG177973,,,,
BMGC_DG13910,BMG_DG177974,,,,
BMGC_DG13911,BMG_DG177975,,,,
BMGC_DG13912,BMG_DG177976,CCN(CC)CCN1C2=CC=CC=C2N=C(C1=O)CC3=CC=C(C=C3)OC,n1(c(c(Cc2ccc(OC)cc2)nc3c1cccc3)=O)CCN(CC)CC,"InChI=1S/C22H27N3O2/c1-4-24(5-2)14-15-25-21-9-7-6-8-19(21)23-20(22(25)26)16-17-10-12-18(27-3)13-11-17/h6-13H,4-5,14-16H2,1-3H3",MSPRUJDUTKRMLM-UHFFFAOYSA-N
BMGC_DG13913,BMG_DG177977,CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O)N,,"InChI=1S/C47H74N10O14S/c1-8-26(6)36(49)45(68)51-29(18-20-72-7)39(62)52-31(22-35(60)61)42(65)50-28(16-17-34(48)59)40(63)55-37(24(2)3)46(69)57-19-12-15-33(57)44(67)53-30(21-27-13-10-9-11-14-27)41(64)54-32(23-58)43(66)56-38(25(4)5)47(70)71/h9-11,13-14,24-26,28-33,36-38,58H,8,12,15-23,49H2,1-7H3,(H2,48,59)(H,50,65)(H,51,68)(H,52,62)(H,53,67)(H,54,64)(H,55,63)(H,56,66)(H,60,61)(H,70,71)/t26-,28-,29-,30-,31-,32-,33-,36-,37-,38-/m0/s1",BDQMCYCLZBSYJZ-BBXCZNCNSA-N
BMGC_DG13914,BMG_DG177978,,,,
BMGC_DG13915,BMG_DG177979,,,,
BMGC_DG13916,BMG_DG177980,,,,
BMGC_DG13917,BMG_DG177982,,[C@@H]1([C@@H](O[C@@H]([C@H]1O)CO)n2cnc3c(NCc4c(C)cccc4)ncnc32)O,,OOEMZCZWZXHBKW-SCFUHWHPSA-N
BMGC_DG13918,BMG_DG177990,,C(C(C(=O)N)(C)C)(=O)NCCCNc1nc(ncc1Br)Nc2cc(ccc2)NC(=O)N3CCCC3,,ZNSULAZTNWFKEW-UHFFFAOYSA-N
BMGC_DG13919,BMG_DG177991,,C12(CCN(CC1)CCCN3c4c(ccc(c4)Cl)Sc5c3cccc5)NC(=O)CS2,,CFOYBMUYCBSDAL-UHFFFAOYSA-N
BMGC_DG13920,BMG_DG177992,,,,
BMGC_DG13921,BMG_DG177993,,,,
BMGC_DG13922,BMG_DG177994,,,,
BMGC_DG13923,BMG_DG177995,,,,
BMGC_DG13924,BMG_DG177998,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O,CC(O)=O.N1[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](C(=O)N[C@H](C(N[C@H](C(N2[C@@H](CCC2)C(=O)NCC)=O)CCCNC(=N)N)=O)CC(C)C)CC(C)C)=O)Cc3ccc(cc3)O)=O)CO)=O)Cc4c[nH]c5c4cccc5)=O)Cc6c[nH]cn6)CCC1=O,"InChI=1S/C59H84N16O12.C2H4O2/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40;1-2(3)4/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64);1H3,(H,3,4)/t40-,41-,42-,43+,44-,45-,46-,47-,48-;/m0./s1",RGLRXNKKBLIBQS-XNHQSDQCSA-N
BMGC_DG13925,BMG_DG177999,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6,N1[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](C(=O)N[C@H](C(N[C@H](C(N2[C@@H](CCC2)C(=O)NCC)=O)CCCNC(=N)N)=O)CC(C)C)CC(C)C)=O)Cc3ccc(cc3)O)=O)CO)=O)Cc4c[nH]c5c4cccc5)=O)Cc6c[nH]cn6)CCC1=O,"InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)/t40-,41-,42-,43+,44-,45-,46-,47-,48-/m0/s1",GFIJNRVAKGFPGQ-LIJARHBVSA-N
BMGC_DG13926,BMG_DG178000,,CNC(=O)Oc1cc2[C@]3([C@@](N(c2cc1)C)(ON(CC3)C)[H])C,,CNBHDDBNEKKMJH-ZFWWWQNUSA-N
BMGC_DG13927,BMG_DG178003,CCCC(CCC)C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C.[Br-],[N+]1([C@@H]2C[C@H](C[C@H]1CC2)OC(=O)C(CCC)CCC)(C)C.[Br-],"InChI=1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1/t14-,15+,16?;",QSFKGMJOKUZAJM-JXMYBXCISA-M;QSFKGMJOKUZAJM-CNKDKAJDSA-M
BMGC_DG13928,BMG_DG178008,CC/C(=C(/CC)\C1=CC=C(C=C1)OC(=O)CC)/C2=CC=C(C=C2)OC(=O)CC,C(=C(/c1ccc(OC(=O)CC)cc1)\CC)(\c2ccc(OC(=O)CC)cc2)/CC,"InChI=1S/C24H28O4/c1-5-21(17-9-13-19(14-10-17)27-23(25)7-3)22(6-2)18-11-15-20(16-12-18)28-24(26)8-4/h9-16H,5-8H2,1-4H3/b22-21+",VZMLEMYJUIIHNF-QURGRASLSA-N
BMGC_DG13929,BMG_DG178010,C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)F)N,n1(c2c(c(N)nc(n2)F)nc1)[C@H]3[C@H]([C@H](O)[C@H](O3)CO)O,"InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1",HBUBKKRHXORPQB-FJFJXFQQSA-N
BMGC_DG13930,BMG_DG178015,CCCCCCCCN[C@H](C)[C@H](C1=CC=C(C=C1)SC(C)C)O,,"InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m1/s1",BFCDFTHTSVTWOG-YLJYHZDGSA-N
BMGC_DG13931,BMG_DG178020,C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)O,P([O-])(OC[C@H](O)CO)(=O)OCC[N+](C)(C)C,"InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1",SUHOQUVVVLNYQR-MRVPVSSYSA-N
BMGC_DG13932,BMG_DG178022,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C,,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1",IZVFFXVYBHFIHY-SKCNUYALSA-N
BMGC_DG13933,BMG_DG178025,C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[N+](=O)([O-])[O-],[C@]12([C@](O1)([H])[C@@H]3C[C@H](OC(=O)[C@@H](c4ccccc4)CO)C[C@H]2[N+]3(C)C)[H].[N+]([O-])([O-])=O,"InChI=1S/C18H24NO4.NO3/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;2-1(3)4/h3-7,12-17,20H,8-10H2,1-2H3;/q+1;-1/t12?,13-,14-,15+,16-,17+;/m1./s1",BSQIVYOSLFLSGE-RAFJPFSSSA-N;BSQIVYOSLFLSGE-OZVSTBQFSA-N
BMGC_DG13934,BMG_DG178026,CCCC1=CC(=O)NC(=S)N1,[nH]1c([nH]c(cc1=O)CCC)=S,"InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)",KNAHARQHSZJURB-UHFFFAOYSA-N
BMGC_DG13935,BMG_DG178031,CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-],[Br-].C(C)(C)[N@+]1(C)[C@@H]2C[C@H](C[C@H]1CC2)OC(C(CO)c3ccccc3)=O;C(C)(C)[N@+]1(C)[C@@H]2C[C@@H](C[C@H]1CC2)OC(=O)C(c3ccccc3)CO.[Br-],"InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18?,19?,21?;",LHLMOSXCXGLMMN-CLTUNHJMSA-M;LHLMOSXCXGLMMN-CCZLGLOTSA-M;LHLMOSXCXGLMMN-VVQPYUEFSA-M
BMGC_DG13936,BMG_DG178032,CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C,,"InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18?,19?,21?",OEXHQOGQTVQTAT-BZQJJPTISA-N
BMGC_DG13937,BMG_DG178039,,N1(c2c(Sc3ccccc13)cccc2)C(OCCN(CC)CC)=O,,ZZXINSPSKSGPQB-UHFFFAOYSA-N
BMGC_DG13938,BMG_DG178043,C1CCC(C1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO)O)c3c(c(NC4CCCC4)ncn3)nc1,"InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1",SQMWSBKSHWARHU-SDBHATRESA-N
BMGC_DG13939,BMG_DG178054,C(=C(Cl)Cl)Cl,C(=CCl)(Cl)Cl,InChI=1S/C2HCl3/c3-1-2(4)5/h1H,XSTXAVWGXDQKEL-UHFFFAOYSA-N
BMGC_DG13940,BMG_DG178055,CCN(CC)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl,c1(ccc2Sc3ccccc3N(c2c1)CCCN(CC)CC)Cl,"InChI=1S/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3",DBOUGBAQLIXZLV-UHFFFAOYSA-N
BMGC_DG13941,BMG_DG178058,,O1c2cc(c(C(=O)O)c(CCCCC)c2Oc3c(c(CC(CCCCC)=O)cc(O)c3)C1=O)O,,KVTYWHGIZSCFLG-UHFFFAOYSA-N
BMGC_DG13942,BMG_DG178059,C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC=CC=C5N4,c1ccc2[nH]c3-c4n(CCc3c2c1)c(c5c(n4)cccc5)=O,"InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2",ACVGWSKVRYFWRP-UHFFFAOYSA-N
BMGC_DG13943,BMG_DG178062,,C(=O)(O)[C@H]1CCCNC1,,XJLSEXAGTJCILF-YFKPBYRVSA-N
BMGC_DG13944,BMG_DG178064,C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CN3C=NN=N3)C(=O)O)CSC4=NN=CS4,s1cnnc1SCC2=C(N3C(=O)[C@H]([C@]3(SC2)[H])NC(Cn4nnnc4)=O)C(=O)O,"InChI=1S/C13H12N8O4S3/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25)/t8-,11-/m1/s1",DZMVCVMFETWNIU-LDYMZIIASA-N
BMGC_DG13945,BMG_DG178069,C(=O)C(Cl)Cl,C(C=O)(Cl)Cl,InChI=1S/C2H2Cl2O/c3-2(4)1-5/h1-2H,NWQWQKUXRJYXFH-UHFFFAOYSA-N
BMGC_DG13946,BMG_DG178074,,c12cc(ccc1N(C(CN=C2c3ccccc3)=O)COC)[N+](=O)[O-],,CWCAUFWLFIUQHP-UHFFFAOYSA-N
BMGC_DG13947,BMG_DG178078,C(C(=O)Cl)Cl,C(C(=O)Cl)Cl,InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2,VGCXGMAHQTYDJK-UHFFFAOYSA-N
BMGC_DG13948,BMG_DG178081,COC1=CC(=CC(=C1OC)OC)C[C@H]2C3=CC(=C(C=C3CCN2)O)O,C1c2c(cc(c(O)c2)O)[C@H](Cc3cc(c(c(c3)OC)OC)OC)NC1,"InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3/t14-/m0/s1",RGVPOXRFEPSFGH-AWEZNQCLSA-N
BMGC_DG13949,BMG_DG178086,CC(C)(C(=O)OCCOC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)Cl,Clc1ccc(OC(C(OCCOC(=O)c2cccnc2)=O)(C)C)cc1,"InChI=1S/C18H18ClNO5/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13/h3-9,12H,10-11H2,1-2H3",XXRVYAFBUDSLJX-UHFFFAOYSA-N
BMGC_DG13950,BMG_DG178091,CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)S(=O)(=O)O,C1C[C@@]([C@]2([C@@](C1)(C)c3c(CC2)cc(C(C)C)c(c3)S(O)(=O)=O)[H])(C)C(O)=O,"InChI=1S/C20H28O5S/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25)/t17-,19-,20-/m1/s1",IWCWQNVIUXZOMJ-MISYRCLQSA-N
BMGC_DG13951,BMG_DG178093,CC(=O)N1C[C@@H](C[C@H]1C(=O)O)O,[C@@H]1(CN(C(=O)C)[C@@H](C1)C(=O)O)O,"InChI=1S/C7H11NO4/c1-4(9)8-3-5(10)2-6(8)7(11)12/h5-6,10H,2-3H2,1H3,(H,11,12)/t5-,6+/m1/s1",BAPRUDZDYCKSOQ-RITPCOANSA-N
BMGC_DG13952,BMG_DG178109,,c1cc(C[C@@H](C)NCC)cc(c1)C(F)(F)F,,DBGIVFWFUFKIQN-SECBINFHSA-N
BMGC_DG13953,BMG_DG178115,CC(C)[C@@](CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC,O(c1c(cc(CCN(CCC[C@@](C#N)(C(C)C)c2cc(c(cc2)OC)OC)C)cc1)OC)C,"InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1",SGTNSNPWRIOYBX-HHHXNRCGSA-N
BMGC_DG13954,BMG_DG178117,C=CC(=O)O,C(C(=O)O)=C,"InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)",NIXOWILDQLNWCW-UHFFFAOYSA-N
BMGC_DG13955,BMG_DG178122,CC(C)(C)NCC(COC1=C(C=CC(=C1)Cl)Cl)O,c1c(c(OCC(CNC(C)(C)C)O)cc(c1)Cl)Cl,"InChI=1S/C13H19Cl2NO2/c1-13(2,3)16-7-10(17)8-18-12-6-9(14)4-5-11(12)15/h4-6,10,16-17H,7-8H2,1-3H3",XYCMOTOFHFTUIU-UHFFFAOYSA-N
BMGC_DG13956,BMG_DG178131,C1CCC2(C1)C3CN(CC2CN(C3)CC4CC4)CC5CC5,C12C3(C(CN(C1)CC4CC4)CN(C2)CC5CC5)CCCC3,"InChI=1S/C19H32N2/c1-2-8-19(7-1)17-11-20(9-15-3-4-15)12-18(19)14-21(13-17)10-16-5-6-16/h15-18H,1-14H2",CTIRHWCPXYGDGF-UHFFFAOYSA-N
BMGC_DG13957,BMG_DG178138,CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)C2=CC=CC=C2,[C@]1([C@@H](CN)C1)(C(N(CC)CC)=O)c2ccccc2;CCN(CC)C(=O)[C@@]1(c2ccccc2)[C@@H](CN)C1,"InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1",GJJFMKBJSRMPLA-HIFRSBDPSA-N
BMGC_DG13958,BMG_DG178142,,s1cccc1C(SC(C(NC2CCSC2=O)=O)C)=O,,MKTVMEMIKNBVHI-UHFFFAOYSA-N
BMGC_DG13959,BMG_DG178146,CC1=NC=CN1.C1C(O1)CCl,,"InChI=1S/C4H6N2.C3H5ClO/c1-4-5-2-3-6-4;4-1-3-2-5-3/h2-3H,1H3,(H,5,6);3H,1-2H2",DEMLYXMVPJAVFU-UHFFFAOYSA-N
BMGC_DG13960,BMG_DG178152,CC(=O)OO,CC(=O)OO,"InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3",KFSLWBXXFJQRDL-UHFFFAOYSA-N
BMGC_DG13961,BMG_DG178155,C1CN(CCN1)C2=C3C(=CC=C2)OCCO3,O1c2cccc(c2OCC1)N3CCNCC3,"InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,13H,4-9H2",WVLHGCRWEHCIOT-UHFFFAOYSA-N
BMGC_DG13962,BMG_DG178157,CCOC1=CC=CC=C1O[C@H]([C@@H]2CNCCO2)C3=CC=CC=C3,c1ccc(c(OCC)c1)O[C@H]([C@]2(OCCNC2)[H])c3ccccc3,"InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1",CBQGYUDMJHNJBX-OALUTQOASA-N
BMGC_DG13963,BMG_DG178158,,c1-2c(S(=O)(O)=O)cc(c2cccc(c1)C(C)C)CC,,NARQSHREEUXZBT-UHFFFAOYSA-N
BMGC_DG13964,BMG_DG178163,C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl,s1c2c(cccc2Cl)c(c1)COC(c3c(cc(cc3)Cl)Cl)Cn4cncc4,"InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2",JLGKQTAYUIMGRK-UHFFFAOYSA-N
BMGC_DG13965,BMG_DG178164,CO[C@@]1([C@@H]2N(C1=O)C(=C(CO2)CSC3=NN=NN3CCO)C(=O)O)NC(=O)CSC(F)F,n1(nnnc1SCC2=C(N3[C@]([H])(OC2)[C@](C3=O)(OC)NC(=O)CSC(F)F)C(O)=O)CCO,"InChI=1S/C15H18F2N6O7S2/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27)/t12-,15+/m1/s1",UHRBTBZOWWGKMK-DOMZBBRYSA-N
BMGC_DG13966,BMG_DG178168,CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC,C=1(C(C(C(=O)OC)=C(NC1C)C)c2cc([N+]([O-])=O)ccc2)C(OC(CN(CCC(c3ccccc3)c4ccccc4)C)(C)C)=O,"InChI=1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3",ZDXUKAKRHYTAKV-UHFFFAOYSA-N
BMGC_DG13967,BMG_DG178171,C1=CC(=CC=C1S(=O)(=O)NC=NCCSCC2=CSC(=N2)N=C(N)N)Br,s1cc(nc1NC(N)=N)CSCCN/C=N/S(c2ccc(cc2)Br)(=O)=O,"InChI=1S/C14H17BrN6O2S3/c15-10-1-3-12(4-2-10)26(22,23)19-9-18-5-6-24-7-11-8-25-14(20-11)21-13(16)17/h1-4,8-9H,5-7H2,(H,18,19)(H4,16,17,20,21)",ZQHFZHPUZXNPMF-UHFFFAOYSA-N
BMGC_DG13968,BMG_DG178175,CCCCCCCNC(=O)OC1=CC2=C(C=C1)N([C@@H]3[C@]2(CCN3C)C)C,c12[C@]3([C@@](N(c2ccc(OC(=O)NCCCCCCC)c1)C)(N(CC3)C)[H])C,"InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1",RRGMXBQMCUKRLH-CTNGQTDRSA-N
BMGC_DG13969,BMG_DG178190,CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCOCC4)C(=NC2)C5=CC=CC=C5Cl,c-12c(C(=NCc3n1c(nn3)C)c4c(Cl)cccc4)cc(s2)CCC(N5CCOCC5)=O,"InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3",JGPJQFOROWSRRS-UHFFFAOYSA-N
BMGC_DG13970,BMG_DG178194,C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)O)O,C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])(SC1[C@]3(CCCO3)[H])[H],"InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1",HGGAKXAHAYOLDJ-FHZUQPTBSA-N
BMGC_DG13971,BMG_DG178195,,[nH]1cncc1CCCNC(=N)NCCC(c2ccc(cc2)F)c3ccccn3,,KZZIVOLMJPSDEP-UHFFFAOYSA-N
BMGC_DG13972,BMG_DG178201,CC(C)C(=O)O,C(C(C)C)(=O)O,"InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)",KQNPFQTWMSNSAP-UHFFFAOYSA-N
BMGC_DG13973,BMG_DG178206,CN(C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)C5=NC=CC(=O)N5,n1(Cc2ccc(cc2)F)c(N3CCC(CC3)N(C)c4nccc([nH]4)=O)nc5c1cccc5,"InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)",PVLJETXTTWAYEW-UHFFFAOYSA-N
BMGC_DG13974,BMG_DG178207,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCO[C@@H](C6)OC)O,c12c(C(c3c(OC)cccc3C1=O)=O)c(c4[C@](C[C@@](Cc4c2O)(C(=O)CO)O)(O[C@H]5C[C@H](N6C[C@H](OCC6)OC)[C@H](O)[C@@H](O5)C)[H])O,"InChI=1S/C32H37NO13/c1-14-27(36)17(33-7-8-44-22(12-33)43-3)9-21(45-14)46-19-11-32(41,20(35)13-34)10-16-24(19)31(40)26-25(29(16)38)28(37)15-5-4-6-18(42-2)23(15)30(26)39/h4-6,14,17,19,21-22,27,34,36,38,40-41H,7-13H2,1-3H3/t14-,17-,19-,21-,22-,27+,32-/m0/s1",CTMCWCONSULRHO-UHQPFXKFSA-N
BMGC_DG13975,BMG_DG178215,CC(C)OC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4,c12c(c(C(OC(C)C)=O)ncc2[nH]c3c1cc(OCc4ccccc4)cc3)COC,"InChI=1S/C24H24N2O4/c1-15(2)30-24(27)23-19(14-28-3)22-18-11-17(29-13-16-7-5-4-6-8-16)9-10-20(18)26-21(22)12-25-23/h4-12,15,26H,13-14H2,1-3H3",RLFKILXOLJVUNF-UHFFFAOYSA-N
BMGC_DG13976,BMG_DG178223,,n1(cncc1)Cc2cc3CCC(C(O)=O)=Cc3s2,,KRBSZXUPPSXPAN-UHFFFAOYSA-N
BMGC_DG13977,BMG_DG178225,CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC(=O)C4=CC=C(C=C4)N(CCCl)CCCl,c1(n(cc(c1)NC(c2ccc(cc2)N(CCCl)CCCl)=O)C)C(Nc3cc(C(Nc4cc(C(=O)NCCC(=N)N)n(c4)C)=O)n(c3)C)=O,"InChI=1S/C32H38Cl2N10O4/c1-41-18-22(14-25(41)30(46)37-11-8-28(35)36)39-32(48)27-16-23(19-43(27)3)40-31(47)26-15-21(17-42(26)2)38-29(45)20-4-6-24(7-5-20)44(12-9-33)13-10-34/h4-7,14-19H,8-13H2,1-3H3,(H3,35,36)(H,37,46)(H,38,45)(H,39,48)(H,40,47)",ARKYUICTMUZVEW-UHFFFAOYSA-N
BMGC_DG13978,BMG_DG178232,,c1c(n[nH]c1)-c2[nH]c3cc(C=4C(C)CC(=O)NN4)ccc3n2,,FDWDHUONLKCDBV-UHFFFAOYSA-N
BMGC_DG13979,BMG_DG178235,CCCCCN(CCCOC)C(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl,C(N[C@@H](C(N(CCCOC)CCCCC)=O)CCC(=O)O)(c1cc(Cl)c(cc1)Cl)=O,"InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)/t18-/m1/s1",QNQZBKQEIFTHFZ-GOSISDBHSA-N
BMGC_DG13980,BMG_DG178240,COC1=C(C=C(C=C1)C2CCN(CC2)CC[C@H]3CCOC4=CC=CC=C34)OC,[C@H]1(c2ccccc2OCC1)CCN3CCC(CC3)c4cc(c(cc4)OC)OC,"InChI=1S/C24H31NO3/c1-26-23-8-7-20(17-24(23)27-2)18-9-13-25(14-10-18)15-11-19-12-16-28-22-6-4-3-5-21(19)22/h3-8,17-19H,9-16H2,1-2H3/t19-/m0/s1",UIZPEXQHMIZQPQ-IBGZPJMESA-N
BMGC_DG13981,BMG_DG178243,C1CC(=O)N[C@@H]1C(=O)N2CSC[C@H]2C(=O)O,[C@@H]1(N(CSC1)C([C@@H]2CCC(N2)=O)=O)C(O)=O,"InChI=1S/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1",UUTKICFRNVKFRG-WDSKDSINSA-N
BMGC_DG13982,BMG_DG178246,CC1N2C3=CC(=C(C=C3C(=O)C(=C2S1)C(=O)O)F)N4CCN(CC4)CC5=C(OC(=O)O5)C,o1c(oc(CN2CCN(CC2)c3c(cc4c(c3)n5c(c(c4=O)C(O)=O)SC5C)F)c1C)=O,"InChI=1S/C21H20FN3O6S/c1-10-16(31-21(29)30-10)9-23-3-5-24(6-4-23)15-8-14-12(7-13(15)22)18(26)17(20(27)28)19-25(14)11(2)32-19/h7-8,11H,3-6,9H2,1-2H3,(H,27,28)",PWNMXPDKBYZCOO-UHFFFAOYSA-N
BMGC_DG13983,BMG_DG178247,CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C,C1N(CC1OC(C=2C(c3cc([N+]([O-])=O)ccc3)C(C(=O)OC(C)C)=C(NC2N)C)=O)C(c4ccccc4)c5ccccc5,"InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3",ZKFQEACEUNWPMT-UHFFFAOYSA-N
BMGC_DG13984,BMG_DG178252,CC1=CN=C(C2=C1NC3=C2C4=C(C=C3)C=C(C=C4)O)NCCCN(C)C,c12c(ncc(c2[nH]c3c1c4c(cc(cc4)O)cc3)C)NCCCN(C)C,"InChI=1S/C21H24N4O/c1-13-12-23-21(22-9-4-10-25(2)3)19-18-16-7-6-15(26)11-14(16)5-8-17(18)24-20(13)19/h5-8,11-12,24,26H,4,9-10H2,1-3H3,(H,22,23)",QROONAIPJKQFMC-UHFFFAOYSA-N
BMGC_DG13985,BMG_DG178254,C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2C4(CC4)N)F)C(=O)O,C1(CC1)(c2c(cc3c(=O)c(cn4[C@H](COc2c34)C)C(O)=O)F)N,"InChI=1S/C16H15FN2O4/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22/h4-5,7H,2-3,6,18H2,1H3,(H,21,22)/t7-/m0/s1",XAGMUUZPGZWTRP-ZETCQYMHSA-N
BMGC_DG13986,BMG_DG178264,C(C(=O)O)(Cl)Cl,C(C(Cl)Cl)(=O)O,"InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)",JXTHNDFMNIQAHM-UHFFFAOYSA-N
BMGC_DG13987,BMG_DG178270,C1CC2=C(C1)C(=CC=C2)NC3=NCCN3,C1c2cccc(NC3=NCCN3)c2CC1,"InChI=1S/C12H15N3/c1-3-9-4-2-6-11(10(9)5-1)15-12-13-7-8-14-12/h2,4,6H,1,3,5,7-8H2,(H2,13,14,15)",KUCWWEPJRBANHL-UHFFFAOYSA-N
BMGC_DG13988,BMG_DG178272,CCOC1=C(C=CC(=C1)CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O,c1(C(=O)O)c(cc(cc1)CC(N[C@H](c2c(N3CCCCC3)cccc2)CC(C)C)=O)OCC,"InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1",FAEKWTJYAYMJKF-QHCPKHFHSA-N
BMGC_DG13989,BMG_DG178275,C1CC[C@H]([C@@H](C1)N2CCC(CC2)C3=CC=CC=C3)O,C1CC[C@H]([C@@H](C1)N2CCC(CC2)c3ccccc3)O,"InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1",YSSBJODGIYRAMI-IAGOWNOFSA-N
BMGC_DG13990,BMG_DG178276,CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)NC(=O)C(CO)CO)I)C(=O)N(C)CC(CO)O)I,c1(c(c(C(N(CC(O)CO)C)=O)c(c(c1I)NC(C(CO)CO)=O)I)I)C(N(CC(O)CO)C)=O,"InChI=1S/C20H28I3N3O9/c1-25(3-10(31)7-29)19(34)12-14(21)13(20(35)26(2)4-11(32)8-30)16(23)17(15(12)22)24-18(33)9(5-27)6-28/h9-11,27-32H,3-8H2,1-2H3,(H,24,33)",YLPBXIKWXNRACS-UHFFFAOYSA-N
BMGC_DG13991,BMG_DG178277,CC(C)NC(=O)N(C(C)C)C(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)N4C)C)C,C1C(N([C@]2([C@](C)(C1)[C@@]3([C@](CC2)([H])[C@@]4(CC[C@H](C(=O)N(C(C)C)C(=O)NC(C)C)[C@@]4(C)CC3)[H])[H])[H])C)=O,"InChI=1S/C27H45N3O3/c1-16(2)28-25(33)30(17(3)4)24(32)21-10-9-19-18-8-11-22-27(6,15-13-23(31)29(22)7)20(18)12-14-26(19,21)5/h16-22H,8-15H2,1-7H3,(H,28,33)/t18-,19-,20-,21+,22+,26-,27+/m0/s1",WMPQMBUXZHMEFZ-YJPJVVPASA-N
BMGC_DG13992,BMG_DG178278,,C12(CCN(CC1)C([C@H](NC(c3cc(Cl)cc(c3)Cl)=O)CCC(=O)O)=O)CCCC2,,FJCZHMXAGBYXHJ-QGZVFWFLSA-N
BMGC_DG13993,BMG_DG178284,,c1(C2(C(=O)N(C)CC)CCN(CC2)CCCCCC)ccccc1,,TYWUGCGYWNSRPS-UHFFFAOYSA-N
BMGC_DG13994,BMG_DG178285,C1CN(CCN1)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4,c12ccccc1n(c(n2)N3CCNCC3)Cc4ccccc4,"InChI=1S/C18H20N4/c1-2-6-15(7-3-1)14-22-17-9-5-4-8-16(17)20-18(22)21-12-10-19-11-13-21/h1-9,19H,10-14H2",PWWDCRQZITYKDV-UHFFFAOYSA-N
BMGC_DG13995,BMG_DG178287,CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C,c1(nc2ccccc2n1C)-c3cc4n(c(CCC)nc4c(c3)C)Cc5ccc(-c6c(C(=O)O)cccc6)cc5,"InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)",RMMXLENWKUUMAY-UHFFFAOYSA-N
BMGC_DG13996,BMG_DG178290,C1[C@H](C(=O)N[C@@H]1COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)CC(=O)O,[C@H]1(CC(O)=O)C(N[C@@H](C1)COc2ccc(cc2)-c3ccc(cc3)C(N)=N)=O,"InChI=1S/C20H21N3O4/c21-19(22)14-3-1-12(2-4-14)13-5-7-17(8-6-13)27-11-16-9-15(10-18(24)25)20(26)23-16/h1-8,15-16H,9-11H2,(H3,21,22)(H,23,26)(H,24,25)/t15-,16-/m0/s1",IKZACQMAVUIGPY-HOTGVXAUSA-N
BMGC_DG13997,BMG_DG178294,,C1c2c(O[C@@H](CNCCCNC3=NCCCN3)C1)cccc2,,QVSXOXCYXPQXMF-OAHLLOKOSA-N
BMGC_DG13998,BMG_DG178324,CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C,,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",VWDLOXMZIGUBKM-AUGXRQBFSA-N
BMGC_DG13999,BMG_DG178335,CC1(CCCC(N1C)(C)C)C,N1(C(CCCC1(C)C)(C)C)C,"InChI=1S/C10H21N/c1-9(2)7-6-8-10(3,4)11(9)5/h6-8H2,1-5H3",XULIXFLCVXWHRF-UHFFFAOYSA-N
BMGC_DG14000,BMG_DG178339,C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C4C(=O)NC(=O)N4,,"InChI=1S/C18H13FN4O2/c19-12-8-6-11(7-9-12)15-14(16-17(24)21-18(25)20-16)10-23(22-15)13-4-2-1-3-5-13/h1-10,16H,(H2,20,21,24,25)",MPQWYPLPWGUMJE-UHFFFAOYSA-N
BMGC_DG14001,BMG_DG178347,,Cc1ccc(cc1)CN,,HMTSWYPNXFHGEP-UHFFFAOYSA-N
BMGC_DG14002,BMG_DG178349,,Clc1ccc(cc1)CN,,YMVFJGSXZNNUDW-UHFFFAOYSA-N
BMGC_DG14003,BMG_DG178352,,NC/C=C\C(O)=O,,FMKJUUQOYOHLTF-UPHRSURJSA-N
BMGC_DG14004,BMG_DG178353,C1[C@H](O[C@H](C2=C1C(=C(C=C2)O)O)CN)C34CC5CC(C3)CC(C5)C4,C1C2([C@@H]3Cc4c(O)c(O)ccc4[C@H](CN)O3)CC5CC(C2)CC1C5,"InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11?,12?,13?,17-,18-,20?/m0/s1",QLJOSZATCBCBDR-DFKUFRTHSA-N
BMGC_DG14005,BMG_DG178356,,,,
BMGC_DG14006,BMG_DG178358,CC(C)(C)NC[C@@H](COC1=CC=CC2=C1NC(=O)N2)O,CC(C)(C)NC[C@H](O)COc1c2[nH]c(=O)[nH]c2ccc1,"InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)/t9-/m0/s1",UMQUQWCJKFOUGV-VIFPVBQESA-N
BMGC_DG14007,BMG_DG178359,,C[C@@]12c3c(C[C@@H]([C@H]1C)N(CC2)CC4CC4)ccc(c3)O,,YQYVFVRQLZMJKJ-UUWFMWQGSA-N
BMGC_DG14008,BMG_DG178361,CC[C@H](C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl,,"InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m0/s1",RAVIZVQZGXBOQO-AWEZNQCLSA-N
BMGC_DG14009,BMG_DG178370,C1CC2=CC(=C(C=C2[C@@H]3[C@@H]1NCC4=CC=CC=C34)O)O,c12[C@]3(c4c(cccc4)CN[C@@]3(CCc1cc(c(c2)O)O)[H])[H],"InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1",BGOQGUHWXBGXJW-RHSMWYFYSA-N
BMGC_DG14010,BMG_DG178378,,N1(C[C@H](N(CC1)C(=O)Cc2cc(c(cc2)Cl)Cl)CN3CCCC3)C(=O)OC,,HJUAKZYKCANOOZ-OAHLLOKOSA-N
BMGC_DG14011,BMG_DG178379,,c12c(cccc1CC[C@@H](N(CCC)CCC)C2)O,,ASXGJMSKWNBENU-CQSZACIVSA-N
BMGC_DG14012,BMG_DG178384,,c1cc(c(c(c1OCCCOc2ccc(cc2)OCC(O)=O)CCC)O)C(=O)C,,HBBVCKCCQCQCTJ-UHFFFAOYSA-N
BMGC_DG14013,BMG_DG178385,,CC(C)(C)NC(=O)[C@@H]1CN(CCN1C(=O)OCc2ccccc2)c3nc4cc(c(cc4c(n3)N)OC)OC,,CGWOIDCAGBKOQL-FQEVSTJZSA-N
BMGC_DG14014,BMG_DG178389,,C(c1ccc(cc1)F)(=O)N(c2ccccn2)CCN3CCN(CC3)c4c(cccc4)OC,,YJZYDPRMWYWYCG-UHFFFAOYSA-N
BMGC_DG14015,BMG_DG178391,,C(COc1ccc(cc1)-c2nc3c(n(c(n(c3[nH]2)CCC)=O)CCC)=O)(=O)Nc4ccc(cc4)C#N,,AJBBEYXFRYFVNM-UHFFFAOYSA-N
BMGC_DG14016,BMG_DG178396,,N1(CCN(CC1)C)[C@H]2c3cc(Cl)ccc3Sc4ccccc4C2,,XRYLGRGAWQSVQW-QGZVFWFLSA-N
BMGC_DG14017,BMG_DG178398,,S1C(N2C(c3c1cccc3)=NCCC2)=N,,JNENSSREQFBZGT-UHFFFAOYSA-N
BMGC_DG14018,BMG_DG178400,,O=c1ccc2c(OCCCCc3ccccc3)c4ccoc4cc2o1,,JJAWGNIQEOFURP-UHFFFAOYSA-N
BMGC_DG14019,BMG_DG178401,,C([C@H](CC)Nc1nc2n(cnc2c(n1)NCc3ccccc3)C(C)C)O,,BTIHMVBBUGXLCJ-HNNXBMFYSA-N
BMGC_DG14020,BMG_DG178406,,CC1CCN(CC[C@@H]2CCCN2S(=O)(=O)c3cccc(O)c3)CC1,,HWKROQUZSKPIKQ-INIZCTEOSA-N
BMGC_DG14021,BMG_DG178408,,C([C@H](C)N)N1c2c(CC1)ccc(Br)c2,,QGRQJMXAQYGAKK-QMMMGPOBSA-N
BMGC_DG14022,BMG_DG178409,,C(=O)(NCCNC[C@H](COc1ccc(cc1)O)O)N2CCOCC2,,DXPOSRCHIDYWHW-CQSZACIVSA-N
BMGC_DG14023,BMG_DG178414,C1C(=NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].[Na+],[Na+].[N-]1C(N(/N=C/c2oc(-c3ccc([N+]([O-])=O)cc3)cc2)CC1=O)=O,"InChI=1S/C14H10N4O5.Na/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;/h1-7H,8H2,(H,16,19,20);/q;+1/p-1/b15-7+;",KSRLIXGNPXAZHD-HAZZGOGXSA-M
BMGC_DG14024,BMG_DG178417,,c1c(ccc([C@H]([C@@H](N2CCC(CC2)Cc3ccccc3)C)O)c1)O,,UYNVMODNBIQBMV-KKSFZXQISA-N
BMGC_DG14025,BMG_DG178426,C1=CC(=CC=C1C=O)C#N,C(c1ccc(cc1)C=O)#N,"InChI=1S/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H",WZWIQYMTQZCSKI-UHFFFAOYSA-N
BMGC_DG14026,BMG_DG178427,C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-],C1(NC(N(\N=C\c2ccc(o2)[N+]([O-])=O)C1)=O)=O,"InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+",NXFQHRVNIOXGAQ-YCRREMRBSA-N
BMGC_DG14027,BMG_DG178431,,,,
BMGC_DG14028,BMG_DG178456,,c1(c(cc(cc1)Cl)Cl)[C@H](Cn2cncc2)OCc3ccc(cc3)Cl,,LEZWWPYKPKIXLL-SFHVURJKSA-N
BMGC_DG14029,BMG_DG178462,CCCCCCCCN[C@@H](C)[C@@H](C1=CC=C(C=C1)SC(C)C)O,[C@@H](c1ccc(SC(C)C)cc1)([C@@H](NCCCCCCCC)C)O,"InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m0/s1",BFCDFTHTSVTWOG-PXNSSMCTSA-N
BMGC_DG14030,BMG_DG178472,,c12c([C@@H](C[C@@H](S1(=O)=O)C)NCC)cc(s2)S(=O)(=O)N,,IAVUPMFITXYVAF-POYBYMJQSA-N
BMGC_DG14031,BMG_DG178473,,O=S1(=O)c2c(cc(s2)S(N)(=O)=O)[C@@H](CN1CCCOC)NCC,,HCRKCZRJWPKOAR-SNVBAGLBSA-N
BMGC_DG14032,BMG_DG178492,,c1(C[C@@H](N)C(=O)O)c(C)o[nH]c1=O,,UUDAMDVQRQNNHZ-RXMQYKEDSA-N
BMGC_DG14033,BMG_DG178499,CCCN(CCC)[C@@H]1CCC2=C([C@@H]1C)C=CC=C2OC,C[C@H]1c2cccc(OC)c2CC[C@H]1N(CCC)CCC,"InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1",BTOJYCTUJJHANF-WMLDXEAASA-N
BMGC_DG14034,BMG_DG178508,,C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(=O)Nc1ccc(cc1)O,,IJBZOOZRAXHERC-DOFZRALJSA-N
BMGC_DG14035,BMG_DG178511,,C1(=C(Cc2c1cccc2)CCN(C)C)[C@@H](c3ncccc3)C,,MVMQESMQSYOVGV-OAHLLOKOSA-N
BMGC_DG14036,BMG_DG178520,,CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c3cccc(O)c3)CC1,,HWKROQUZSKPIKQ-MRXNPFEDSA-N
BMGC_DG14037,BMG_DG178522,,,,
BMGC_DG14038,BMG_DG178526,,CSc1nc(NC2CCCC2)c(c(NC3CCCC3)n1)[N+]([O-])=O,,GSGVDKOCBKBMGG-UHFFFAOYSA-N
BMGC_DG14039,BMG_DG178527,,n12CCNCc3c1c(c4c2CCCC4)ccc3,,OIGHTPDWPMLMGT-UHFFFAOYSA-N
BMGC_DG14040,BMG_DG178533,,C(c1ccccc1)(c2ccccc2)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc3ccc(F)c([N+]([O-])=O)c3,,HLCDNLNLQNYZTK-UHFFFAOYSA-N
BMGC_DG14041,BMG_DG178538,,C(c1ccc(O)cc1)(c2ccc(O)cc2)=C,,OTJFTLRXGXUHEJ-UHFFFAOYSA-N
BMGC_DG14042,BMG_DG178546,,Oc1cc2c(c(O)c1OC)[C@@]3(O[C@@H]([C@H]([C@@H]([C@]3(OC2=O)[H])O)O)CO)[H],,YWJXCIXBAKGUKZ-HJJNZUOJSA-N
BMGC_DG14043,BMG_DG178574,CCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@@H](C2=CC=CC=C2)O,,"InChI=1S/C23H38N2O3/c1-2-3-4-5-6-7-11-14-22(26)24-21(19-25-15-17-28-18-16-25)23(27)20-12-9-8-10-13-20/h8-10,12-13,21,23,27H,2-7,11,14-19H2,1H3,(H,24,26)/t21-,23-/m1/s1",UYNCFCUHRNOSCN-FYYLOGMGSA-N
BMGC_DG14044,BMG_DG178580,,COc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2cc1OC,,IMYVCWQAHSYYOO-UHFFFAOYSA-N
BMGC_DG14045,BMG_DG178582,C[C@@H]1[C@@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)SC[C@@H](C(=O)O)NC(=O)C)O,,"InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9+,10+,11+,15-/m1/s1",DAQAKHDKYAWHCG-RWTHQLGUSA-N
BMGC_DG14046,BMG_DG178585,,,,
BMGC_DG14047,BMG_DG178595,CC(CN1C(=O)C2=C(N=CN2C)N(C1=O)C)O,CC(O)Cn1c(=O)n(C)c2ncn(C)c2c1=O,"InChI=1S/C10H14N4O3/c1-6(15)4-14-9(16)7-8(11-5-12(7)2)13(3)10(14)17/h5-6,15H,4H2,1-3H3",MXRGZXBFSKSZPH-UHFFFAOYSA-N
BMGC_DG14048,BMG_DG178603,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,C([C@@H](C(CO)(C)C)O)(=O)NCCC(O)=O,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",GHOKWGTUZJEAQD-ZETCQYMHSA-N
BMGC_DG14049,BMG_DG178604,,[nH]1ccnc1CC,,PQAMFDRRWURCFQ-UHFFFAOYSA-N
BMGC_DG14050,BMG_DG178613,,C1CCN([C@@H]1C(=O)O)C(C)=O,,GNMSLDIYJOSUSW-LURJTMIESA-N
BMGC_DG14051,BMG_DG178626,CC1(C2CCC(C2)C1=C)C,C1(C)(C(C2CC1CC2)=C)C,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3",CRPUJAZIXJMDBK-UHFFFAOYSA-N
BMGC_DG14052,BMG_DG178627,,CC1(c2ccccc2)C(=O)NC(=O)NC1=O,,LSAOZCAKUIANSQ-UHFFFAOYSA-N
BMGC_DG14053,BMG_DG178633,,C1(C(=O)O)(c2ccccc2)CCCC1,,RHPCYZLXNNRRMB-UHFFFAOYSA-N
BMGC_DG14054,BMG_DG178638,,n1(cncc1)C=C,,OSSNTDFYBPYIEC-UHFFFAOYSA-N
BMGC_DG14055,BMG_DG178644,CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br,C(c1cc(c(O)c(c1)Br)Br)(c2cc(c(O)c(c2)Br)Br)(C)C,"InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3",VEORPZCZECFIRK-UHFFFAOYSA-N
BMGC_DG14056,BMG_DG178648,,Cc1c(cc2n(c3-c(nc2c1)c([nH]c(n3)=O)=O)C)C,,KPDQZGKJTJRBGU-UHFFFAOYSA-N
BMGC_DG14057,BMG_DG178682,,[Mg+2].[O-][Si]([O-])([O-])[O-].[Mg+2],,HCWCAKKEBCNQJP-UHFFFAOYSA-N
BMGC_DG14058,BMG_DG178686,CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,Oc1ccc(C(C)(C)c2ccc(cc2)O)cc1,"InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3",IISBACLAFKSPIT-UHFFFAOYSA-N
BMGC_DG14059,BMG_DG178700,CC[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC,C1C[N+](CC)(CC)CC1OC(=O)C(c2ccccc2)(c3ccccc3)O,"InChI=1S/C22H28NO3/c1-3-23(4-2)16-15-20(17-23)26-21(24)22(25,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20,25H,3-4,15-17H2,1-2H3/q+1",ZKCWITXZGWUJAV-UHFFFAOYSA-N
BMGC_DG14060,BMG_DG178701,C[C@@H]1C[C@H]2[C@@H]3C=C(C4=CC5=C(C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)C)C=NN5C6=CC=CC=C6)C,[C@]12(C(=Cc3c(C1)cnn3-c4ccccc4)C(C)=C[C@]5([C@@]6(C[C@@H](C)[C@@]([C@]6(C[C@@H]([C@@]52[H])O)C)(C(COC(=O)C)=O)O)[H])[H])C,"InChI=1S/C32H38N2O5/c1-18-11-23-25-12-19(2)32(38,28(37)17-39-20(3)35)31(25,5)15-27(36)29(23)30(4)14-21-16-33-34(26(21)13-24(18)30)22-9-7-6-8-10-22/h6-11,13,16,19,23,25,27,29,36,38H,12,14-15,17H2,1-5H3/t19-,23+,25+,27+,29-,30+,31+,32+/m1/s1",RKHQGWMMUURILY-UHRZLXHJSA-N
BMGC_DG14061,BMG_DG178707,C[75Se]CC[C@@H](C(=O)O)N,C(=O)([C@@H](N)CC[75Se]C)O,"InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i9-4",RJFAYQIBOAGBLC-ZEMBQCNESA-N
BMGC_DG14062,BMG_DG178714,CCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],[N+]([O-])(OCC(CC)(CO[N+]([O-])=O)CO[N+]([O-])=O)=O,"InChI=1S/C6H11N3O9/c1-2-6(3-16-7(10)11,4-17-8(12)13)5-18-9(14)15/h2-5H2,1H3",YZZCJYJBCUJISI-UHFFFAOYSA-N
BMGC_DG14063,BMG_DG178718,CCN[C@@H](C)CC1=CC(=CC=C1)C(F)(F)F,C(c1cc(C[C@@H](NCC)C)ccc1)(F)(F)F,"InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m0/s1",DBGIVFWFUFKIQN-VIFPVBQESA-N
BMGC_DG14064,BMG_DG178723,C1CCNC(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4,C1(OC(C2NCCCC2)CO1)(c3ccccc3)c4ccccc4,"InChI=1S/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2",HGKAMARNFGKMLC-UHFFFAOYSA-N
BMGC_DG14065,BMG_DG178748,C([C@H]([C@H]([C@@H](C=O)O)O)O)O,C([C@H]([C@H]([C@@H](C=O)O)O)O)O,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m1/s1",PYMYPHUHKUWMLA-WDCZJNDASA-N
BMGC_DG14066,BMG_DG178750,,s1c2n(nc1C3CCCCC3)c(nn2)-c4occc4,,SWTUPSNBTSPBIH-UHFFFAOYSA-N
BMGC_DG14067,BMG_DG178753,,n1(cncc1)C(=O)c2ccccc2,,JEGIFBGJZPYMJS-UHFFFAOYSA-N
BMGC_DG14068,BMG_DG178768,C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(C=C2)Cl,S(Nc1nnc(cc1)Cl)(c2ccc(cc2)N)(=O)=O,"InChI=1S/C10H9ClN4O2S/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)",XOXHILFPRYWFOD-UHFFFAOYSA-N
BMGC_DG14069,BMG_DG178773,S1SSSSSSS1,S1SSSSSSS1,InChI=1S/S8/c1-2-4-6-8-7-5-3-1,JLQNHALFVCURHW-UHFFFAOYSA-N
BMGC_DG14070,BMG_DG178775,C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl,S(Oc1ccc(cc1)Cl)(c2ccc(cc2)Cl)(=O)=O,"InChI=1S/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H",RZXLPPRPEOUENN-UHFFFAOYSA-N
BMGC_DG14071,BMG_DG178789,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O.O,[C@H]1([C@H]([C@@H]([C@@H](CO)O[C@@H]1O)O)O)O.O,"InChI=1S/C6H12O6.H2O/c7-1-2-3(8)4(9)5(10)6(11)12-2;/h2-11H,1H2;1H2/t2-,3-,4+,5-,6+;/m1./s1",OSNSWKAZFASRNG-WNFIKIDCSA-N
BMGC_DG14072,BMG_DG178795,CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,n1(c([nH]c(=O)c(c1)CC)=O)[C@@H]2O[C@H](CO)[C@H](C2)O,"InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1",XACKNLSZYYIACO-DJLDLDEBSA-N
BMGC_DG14073,BMG_DG178802,C1CCCN(CC1)CCOC(=O)C(C2CCCCC2)C3=CSC=C3,c1(C(C(=O)OCCN2CCCCCC2)C3CCCCC3)cscc1,"InChI=1S/C20H31NO2S/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17/h10,15-17,19H,1-9,11-14H2",MMNICIJVQJJHHF-UHFFFAOYSA-N
BMGC_DG14074,BMG_DG178813,,c1c(cc2CC[C@]3([C@]4([C@](CC[C@@]3(c2c1)[H])([C@](CC4)(O)C)C)[H])[H])O,,JXQJDYXWHSVOEF-GFEQUFNTSA-N
BMGC_DG14075,BMG_DG178814,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)O,[C@]12([C@]([C@]3([C@](c4c(cc(O)c(c4)OC)CC3)([H])CC1)[H])(CC[C@@H]2O)[H])C,"InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1",CQOQDQWUFQDJMK-SSTWWWIQSA-N
BMGC_DG14076,BMG_DG178823,,c1c(cc2c(c1)[C@]3([H])[C@@](CC2)([C@]4([C@](CC3)([C@@](CC4)(CC)O)C)[H])[H])O,,GQHYKMYMSVJXJM-SLHNCBLASA-N
BMGC_DG14077,BMG_DG178828,,C[C@@]12[C@@H](OP(O)(O)=O)CC[C@@]1([H])[C@]3([H])CCc4cc(O)ccc4[C@@]3([H])CC2,,BBWXLCKRYRQQPL-ZBRFXRBCSA-N
BMGC_DG14078,BMG_DG178842,,S(Nc1c(C)cccc1)(c2ccc(cc2)C)(=O)=O,,SIPGNSRRMHEOSA-UHFFFAOYSA-N
BMGC_DG14079,BMG_DG178844,C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)C.[Br-],,"InChI=1S/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1",FUFVKLQESJNNAN-UHFFFAOYSA-M
BMGC_DG14080,BMG_DG178862,,O=C1c2c3c(C(N1)=O)cccc3ccc2,,XJHABGPPCLHLLV-UHFFFAOYSA-N
BMGC_DG14081,BMG_DG178877,C1=CC=C(C=C1)[C@H](C#N)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O,,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20?/m0/s1",XUCIJNAGGSZNQT-KDDLJKRCSA-N
BMGC_DG14082,BMG_DG178907,,c12[nH]c3ccccc3c1ccc4cc(C(=O)O)c(cc24)O,,ONMDNQFBIVCMAS-UHFFFAOYSA-N
BMGC_DG14083,BMG_DG178908,,O=C1c2c(C(=O)c3ccccc13)ccc(C(C)(C)C)c2,,YTPSFXZMJKMUJE-UHFFFAOYSA-N
BMGC_DG14084,BMG_DG178911,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O,O[C@@H]1[C@H](OP(O)(O)=O)[C@@H](CO)O[C@H]1n2ccc(N)nc2=O,"InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",UOOOPKANIPLQPU-XVFCMESISA-N
BMGC_DG14085,BMG_DG178918,CN1C2=NC(=O)N(C(=O)C2=NC=N1)C,n1c2-c(ncnn2C)c(n(c1=O)C)=O,"InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3",SLGRAIAQIAUZAQ-UHFFFAOYSA-N
BMGC_DG14086,BMG_DG178928,,S(=O)(=O)(O)c1c2c(c(S(=O)(=O)O)ccc2)cc(N=Nc3c(C)cc(N)cc3)c1,,XXZDPVOWJBCNQC-UHFFFAOYSA-N
BMGC_DG14087,BMG_DG178931,CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C,O=c1ccc2c(OC)c3C=CC(C)(C)Oc3cc2o1,"InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3",JSJIIHRNDMLJGK-UHFFFAOYSA-N
BMGC_DG14088,BMG_DG178936,COC1=C(C(=CC=C1)OC)C2=NN3C(=NN=C3S2)C4=CC(=NN4)C5=CC=CC=C5,COc1cccc(OC)c1-c2nn3c(s2)nnc3-c4cc(n[nH]4)-c5ccccc5,"InChI=1S/C20H16N6O2S/c1-27-15-9-6-10-16(28-2)17(15)19-25-26-18(23-24-20(26)29-19)14-11-13(21-22-14)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,21,22)",FADKMVWORSHBKJ-UHFFFAOYSA-N
BMGC_DG14089,BMG_DG178940,,C(=O)(O)c1c(ccc(c1)CN([C@@H](C)c2nc(c[nH]2)-c3ccccc3)C([C@H](Cc4c(cc(cc4C)C(=O)N)C)N)=O)OC.Cl.Cl,,YFUUQKJOCLQHMZ-ISJKLOBTSA-N
BMGC_DG14090,BMG_DG178945,COC1=C(SC=C1)CNCC[C@]2(CCOC3(C2)CCCC3)C4=CC=CC=N4,N(CC[C@]1(CCOC2(CCCC2)C1)c3ccccn3)Cc4c(ccs4)OC,"InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1",DMNOVGJWPASQDL-OAQYLSRUSA-N
BMGC_DG14091,BMG_DG178946,,C1(=NN(C[C@@H]1c2ccccc2)/C(/N[C@H](C(N)=O)C(C)C)=N/S(c3ccc(cc3)Cl)(=O)=O)c4ccc(cc4)Cl,,GTCSIQFTNPTSLO-RPWUZVMVSA-N
BMGC_DG14092,BMG_DG178955,CC1=NC2=C(N1)C=C(C=C2)N3C(=C(C=N3)C(=O)C4=CC5=CC=CC=C5N4)N,c1cc2[nH]c(cc2cc1)C(=O)c3c(N)n(-c4cc5[nH]c(nc5cc4)C)nc3,"InChI=1S/C20H16N6O/c1-11-23-16-7-6-13(9-17(16)24-11)26-20(21)14(10-22-26)19(27)18-8-12-4-2-3-5-15(12)25-18/h2-10,25H,21H2,1H3,(H,23,24)",BEMNJULZEQTDJY-UHFFFAOYSA-N
BMGC_DG14093,BMG_DG178961,CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCOCC5,N(C1CCOCC1)(c2cc(-c3ccc(CN4CCOCC4)cc3)cc(C(=O)NCc5c(=O)[nH]c(C)cc5C)c2C)CC,"InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)",NSQSAUGJQHDYNO-UHFFFAOYSA-N
BMGC_DG14094,BMG_DG178965,,c12NC(=O)CCc1cc(cc2Br)-c3cnccc3,,HYNLMTDSFSQFFT-UHFFFAOYSA-N
BMGC_DG14095,BMG_DG178969,,N1(CCC(CC1)C(c2ccccc2)(c3ccccc3)O)C(=S)Nc4ccc(cc4)S(=O)(=O)N(C)C,,VAUKHARIAMDAGF-UHFFFAOYSA-N
BMGC_DG14096,BMG_DG178970,CC1=NC2=CC=CC=C2C(=C1[C@@H](C(=O)O)OC(C)(C)C)C3=C4C5=C(C=C3)OCCC5=CC=N4,C(O)(=O)[C@H](c1c(-c2c3nccc4CCOc(cc2)c43)c5c(nc1C)cccc5)OC(C)(C)C,"InChI=1S/C27H26N2O4/c1-15-21(25(26(30)31)33-27(2,3)4)23(17-7-5-6-8-19(17)29-15)18-9-10-20-22-16(12-14-32-20)11-13-28-24(18)22/h5-11,13,25H,12,14H2,1-4H3,(H,30,31)/t25-/m0/s1",MIXIIJCBELCMCZ-VWLOTQADSA-N
BMGC_DG14097,BMG_DG178973,,O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)C,,ICQOWIXIHDDXDI-UHFFFAOYSA-N
BMGC_DG14098,BMG_DG178975,CCC1=C(C(=NC(=N1)N)N)OCCCOC2=CC=CC=C2CCC(=O)O,,"InChI=1S/C18H24N4O4/c1-2-13-16(17(19)22-18(20)21-13)26-11-5-10-25-14-7-4-3-6-12(14)8-9-15(23)24/h3-4,6-7H,2,5,8-11H2,1H3,(H,23,24)(H4,19,20,21,22)",VDGXZSSDCDPCRF-UHFFFAOYSA-N
BMGC_DG14099,BMG_DG178977,,c1ccc(c(c1)C(=O)c2ccc(cc2)Cl)C(=O)O,,YWECCEXWKFHHQJ-UHFFFAOYSA-N
BMGC_DG14100,BMG_DG178996,CC(C)(CO)N1C=C(C2=CN=C(N=C21)N)C(=O)C3=CC(=CN=C3)NC(=O)CC4=NC=C(C=C4)Cl,C(Cc1ccc(cn1)Cl)(=O)Nc2cncc(c2)C(=O)c3cn(c4nc(ncc43)N)C(CO)(C)C,"InChI=1S/C23H22ClN7O3/c1-23(2,12-32)31-11-18(17-10-28-22(25)30-21(17)31)20(34)13-5-16(9-26-7-13)29-19(33)6-15-4-3-14(24)8-27-15/h3-5,7-11,32H,6,12H2,1-2H3,(H,29,33)(H2,25,28,30)",BPIWZDNVMQQBQX-UHFFFAOYSA-N
BMGC_DG14101,BMG_DG178997,C1CN(CCC1CN[C@@H]2C[C@H]2C3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O,C(c1ccc(cc1)CN2CCC(CC2)CN[C@H]3[C@@H](C3)c4ccccc4)(=O)O,"InChI=1S/C23H28N2O2/c26-23(27)20-8-6-18(7-9-20)16-25-12-10-17(11-13-25)15-24-22-14-21(22)19-4-2-1-3-5-19/h1-9,17,21-22,24H,10-16H2,(H,26,27)/t21-,22+/m0/s1",LRULVYSBRWUVGR-FCHUYYIVSA-N
BMGC_DG14102,BMG_DG179020,CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4,,"InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1",NPUXORBZRBIOMQ-RUZDIDTESA-N
BMGC_DG14103,BMG_DG179037,C1COCCN1CC2=CC=C(C=C2)N3C4=C(CS(=O)(=O)C5=C4C=CC=C5F)C(=N3)C(=O)N6CCOCC6,c1(F)c2S(=O)(Cc3c(nn(-c4ccc(CN5CCOCC5)cc4)c3-c2ccc1)C(N6CCOCC6)=O)=O,"InChI=1S/C26H27FN4O5S/c27-22-3-1-2-20-24-21(17-37(33,34)25(20)22)23(26(32)30-10-14-36-15-11-30)28-31(24)19-6-4-18(5-7-19)16-29-8-12-35-13-9-29/h1-7H,8-17H2",NFHSJYKXENYICE-UHFFFAOYSA-N
BMGC_DG14104,BMG_DG179071,,c1c(cc2c(c1)c(cc[nH]2)=O)Cl,,XMFXTXKSWIDMER-UHFFFAOYSA-N
BMGC_DG14105,BMG_DG179080,CC(C)(C1CCC(CC1)NC2=NN3C(=NC=C3C4=CC(=CC=C4)C(F)(F)F)C=C2)O,CC([C@H]1CC[C@H](Nc2nn3c(-c4cc(C(F)(F)F)ccc4)cnc3cc2)CC1)(O)C,"InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-20-26-13-18(29(20)28-19)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)",XRNVABDYQLHODA-JCNLHEQBSA-N;XRNVABDYQLHODA-UHFFFAOYSA-N
BMGC_DG14106,BMG_DG179085,CC1=CC(=C(C=C1)C(=O)OCC2=CC=C(C=C2)[C@@H](CN)C(=O)NC3=CC4=C(C=C3)C=NC=C4)C,C(c1ccc(cc1C)C)(=O)OCc2ccc(cc2)[C@H](C(=O)Nc3cc4c(cc3)cncc4)CN,"InChI=1S/C28H27N3O3/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32)/t26-/m1/s1",OURRXQUGYQRVML-AREMUKBSSA-N
BMGC_DG14107,BMG_DG179092,CC1=C([C@H](N(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C)C3=C(C=C(C=C3)C#N)S(=O)(=O)C)C#N,CN1[C@H](c2ccc(C#N)cc2S(=O)(=O)C)C(C#N)=C(C)N(c3cccc(C(F)(F)F)c3)C1=O,"InChI=1S/C22H17F3N4O3S/c1-13-18(12-27)20(17-8-7-14(11-26)9-19(17)33(3,31)32)28(2)21(30)29(13)16-6-4-5-15(10-16)22(23,24)25/h4-10,20H,1-3H3/t20-/m1/s1",YAJWYFPMASPAMM-HXUWFJFHSA-N
BMGC_DG14108,BMG_DG179134,CC1=C(ON=C1C)N(C(=O)C)S(=O)(=O)C2=CC=C(C=C2)N,c1(N(S(c2ccc(cc2)N)(=O)=O)C(=O)C)c(c(C)no1)C,"InChI=1S/C13H15N3O4S/c1-8-9(2)15-20-13(8)16(10(3)17)21(18,19)12-6-4-11(14)5-7-12/h4-7H,14H2,1-3H3",JFNWFXVFBDDWCX-UHFFFAOYSA-N
BMGC_DG14109,BMG_DG179156,,O=C1N(N=C(C)C1)c2cccc(S(=O)(=O)N)c2,,ASVVGQURNHNITH-UHFFFAOYSA-N
BMGC_DG14110,BMG_DG179161,,c1(c(cc2c(c1)cccc2O)O)C(=O)O,,YELLAPKUWRTITI-UHFFFAOYSA-N
BMGC_DG14111,BMG_DG179167,CCCC1=NC=CC(=C1)C(=S)N,c1(cc(ccn1)C(N)=S)CCC,"InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)",VRDIULHPQTYCLN-UHFFFAOYSA-N
BMGC_DG14112,BMG_DG179171,C1=CC=C(C(=C1)C(=O)NO)O,c1(C(=O)NO)c(O)cccc1,"InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)",HBROZNQEVUILML-UHFFFAOYSA-N
BMGC_DG14113,BMG_DG179173,COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)OS(=O)(=O)O)OC)O,c1(c(ccc(/C=C/C(CC(/C=C/c2cc(c(cc2)O)OC)=O)=O)c1)OS(O)(=O)=O)OC,"InChI=1S/C21H20O9S/c1-28-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(21(12-15)29-2)30-31(25,26)27/h3-12,24H,13H2,1-2H3,(H,25,26,27)/b7-3+,8-4+",NEJVQQBBTRFOHB-FCXRPNKRSA-N
BMGC_DG14114,BMG_DG179178,,C(c1ccccc1Cl)N,,KDDNKZCVYQDGKE-UHFFFAOYSA-N
BMGC_DG14115,BMG_DG179196,,O=Cc1c(O)c(cc(Cl)c1)Cl,,FABVMBDCVAJXMB-UHFFFAOYSA-N
BMGC_DG14116,BMG_DG179203,CNC(=O)C1=NC=C(C=C1)C2=CC=C(C=C2)C3(CC3)C(=O)N4CC[C@]5(C4)C6=CC=CC=C6C(=O)O5,c1(ccc(cn1)-c2ccc(cc2)C3(CC3)C(=O)N4C[C@@]5(OC(c6c5cccc6)=O)CC4)C(=O)NC,"InChI=1S/C28H25N3O4/c1-29-24(32)23-11-8-19(16-30-23)18-6-9-20(10-7-18)27(12-13-27)26(34)31-15-14-28(17-31)22-5-3-2-4-21(22)25(33)35-28/h2-11,16H,12-15,17H2,1H3,(H,29,32)/t28-/m0/s1",BDQCDIWFPIDPQU-NDEPHWFRSA-N
BMGC_DG14117,BMG_DG179212,,O=S(=O)(O)c1c(Nc2ccccc2)ccc(N)c1,,HYLOSPCJTPLXSF-UHFFFAOYSA-N
BMGC_DG14118,BMG_DG179276,C1[C@H]([C@@H]1NCC2=NN=C(O2)N)C3=CC=C(C=C3)OCC4=CC=CC=C4,N(Cc1nnc(o1)N)[C@H]2[C@@H](C2)c3ccc(cc3)OCc4ccccc4,"InChI=1S/C19H20N4O2/c20-19-23-22-18(25-19)11-21-17-10-16(17)14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16-17,21H,10-12H2,(H2,20,23)/t16-,17+/m0/s1",XBBRLCXCBCZIOI-DLBZAZTESA-N
BMGC_DG14119,BMG_DG179284,,n1(nc(cc1)-c2ccc(cc2)F)-c3c(cccn3)C(NC(Cc4ccccc4)C(=O)C(N)=O)=O,,CJFKGISBMQMNDQ-UHFFFAOYSA-N
BMGC_DG14120,BMG_DG179285,,C(Nc1ccc(cc1)OC)(=O)c2cc3c(cc2O)cccc3,,UIXFPIHXQQZAGX-UHFFFAOYSA-N
BMGC_DG14121,BMG_DG179288,,O=C(NCCO)c1c(O)cc2c(cccc2)c1,,VYHNSPUVKZPCDZ-UHFFFAOYSA-N
BMGC_DG14122,BMG_DG179291,,OC(=O)c1ccc(cc1)-c2ccccc2,,NNJMFJSKMRYHSR-UHFFFAOYSA-N
BMGC_DG14123,BMG_DG179314,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C,[C@]12([C@]([C@@]3(C(C[C@]4([C@@]([C@]3(CC1=O)[H])(CCC(=O)C4)C)[H])=O)[H])(CC[C@@]2([C@@H](CCC(=O)O)C)[H])[H])C,"InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1",OHXPGWPVLFPUSM-KLRNGDHRSA-N
BMGC_DG14124,BMG_DG179336,C[C@H](CC1=CC2=C(C=C1)OCO2)NC,C([C@H](NC)C)c1cc2c(cc1)OCO2,"InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3/t8-/m1/s1",SHXWCVYOXRDMCX-MRVPVSSYSA-N
BMGC_DG14125,BMG_DG179339,CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)Cl,C(\CCN(C)C)=C\1/c2c(Sc3c1cccc3)ccc(Cl)c2,"InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7+",WSPOMRSOLSGNFJ-VGOFMYFVSA-N
BMGC_DG14126,BMG_DG179340,CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl,C/1(\c2c(ccc(c2)Cl)Sc3c1cccc3)=C\CCN(C)C,"InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-",WSPOMRSOLSGNFJ-AUWJEWJLSA-N
BMGC_DG14127,BMG_DG179341,CN(C)CC/C=C\1/C2=CC=CC=C2COC3=CC=CC=C31,O1Cc2c(cccc2)/C(=C/CCN(C)C)/c3c1cccc3,"InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-",ODQWQRRAPPTVAG-BOPFTXTBSA-N
BMGC_DG14128,BMG_DG179343,C/C=C(/C(=C/C)/C1=CC=C(C=C1)O)\C2=CC=C(C=C2)O,C(\C(\c1ccc(cc1)O)=C\C)(/c2ccc(cc2)O)=C/C,"InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+",NFDFQCUYFHCNBW-SCGPFSFSSA-N
BMGC_DG14129,BMG_DG179344,CN(C)CC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C31,O1c2ccccc2\C(=C\CCN(C)C)\c3ccccc3C1,"InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+",ODQWQRRAPPTVAG-GZTJUZNOSA-N
BMGC_DG14130,BMG_DG179348,CCOC(=O)C1=CN=CN1[C@H](C)C2=CC=CC=C2,c1(n(cnc1)[C@@H](c2ccccc2)C)C(=O)OCC,"InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1",NPUKDXXFDDZOKR-LLVKDONJSA-N
BMGC_DG14131,BMG_DG179349,,C(CCN(CC)CC)(=O)c1ccccc1,,YZTCGYARZGKANI-UHFFFAOYSA-N
BMGC_DG14132,BMG_DG179350,C1=NC2=C(N1)C(=S)N=CN2,c12c(nc[nH]c1=S)[nH]cn2,"InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",GLVAUDGFNGKCSF-UHFFFAOYSA-N
BMGC_DG14133,BMG_DG179352,CN1C2=CC=CC=C2C(=C1O)N=NC(=S)N,C(N/N=C\1/C(N(C)c2c1cccc2)=O)(=S)N,"InChI=1S/C10H10N4OS/c1-14-7-5-3-2-4-6(7)8(9(14)15)12-13-10(11)16/h2-5,15H,1H3,(H2,11,16)",TTZUCVNWOZLIGL-UHFFFAOYSA-N;DLGSOJOOYHWROO-XYOKQWHBSA-N
BMGC_DG14134,BMG_DG179353,CC1=CC(=O)NC(=S)N1,Cc1cc(=O)[nH]c(=S)[nH]1,"InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)",HWGBHCRJGXAGEU-UHFFFAOYSA-N
BMGC_DG14135,BMG_DG179355,,N1=C2N(Cc3ccccc13)CC[C@@H]2O,,YIICVSCAKJMMDJ-JTQLQIEISA-N
BMGC_DG14136,BMG_DG179357,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,[C@]12([C@]([C@@]3([C@@H](C[C@]4([C@@]([C@]3(C[C@@H]1O)[H])(CC[C@H](C4)O)C)[H])O)[H])(CC[C@@]2([C@@H](CCC(=O)NCCS(=O)(=O)O)C)[H])[H])C,"InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1",WBWWGRHZICKQGZ-HZAMXZRMSA-N
BMGC_DG14137,BMG_DG179372,CCC1=C2C(=CC=C1)C3=C(N2)[C@@](OCC3)(CC)CC(=O)O,c12[nH]c3c(cccc3c1CCO[C@@]2(CC(=O)O)CC)CC,"InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)/t17-/m1/s1",NNYBQONXHNTVIJ-QGZVFWFLSA-N
BMGC_DG14138,BMG_DG179378,,c12C(=O)[C@@H](Cn3ccnc3C)CCc1n(c4ccccc24)C,,FELGMEQIXOGIFQ-CYBMUJFWSA-N
BMGC_DG14139,BMG_DG179384,C[C@@H](C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O,C(c1cc([C@@H](C(=O)O)C)ccc1)(=O)c2ccccc2,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1",DKYWVDODHFEZIM-NSHDSACASA-N
BMGC_DG14140,BMG_DG179386,,c1ccc(CNc2nc(-c3cccnc3)nc4ccccc24)cc1,,AELMNLIYFALJIR-UHFFFAOYSA-N
BMGC_DG14141,BMG_DG179393,C1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6,C(CCCCCCC(=O)NO)(=O)Nc1ccc(cc1)[C@@H]2O[C@@H](C[C@@H](O2)CSc3oc(c(n3)-c4ccccc4)-c5ccccc5)c6ccc(cc6)CO,"InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1",BHUZLJOUHMBZQY-YXQOSMAKSA-N
BMGC_DG14142,BMG_DG179396,,N(C(/C=C/c1ccc(Cl)cc1)=O)c2cc(OC)ccc2,,RYAMDQKWNKKFHD-JXMROGBWSA-N
BMGC_DG14143,BMG_DG179397,,n1n[nH]c2ccc(cc12)Cl,,PZBQVZFITSVHAW-UHFFFAOYSA-N
BMGC_DG14144,BMG_DG179405,C1=CC(=C(C=C1/C=C/C2=CC(=CC(=C2)O)O)O)O,c1(cc(c(cc1)O)O)/C=C/c2cc(cc(c2)O)O,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",CDRPUGZCRXZLFL-OWOJBTEDSA-N
BMGC_DG14145,BMG_DG179412,,Oc1ccc2c(c1)ncn2-c3ccccc3,,OQAPWZCMAFFBBL-UHFFFAOYSA-N
BMGC_DG14146,BMG_DG179425,,c1c(nc2ccc(cn12)C)-c3ccc(cc3)C,,AWEWSJJCANQFRB-UHFFFAOYSA-N
BMGC_DG14147,BMG_DG179456,C(C(=O)COP(=O)(O)O)O,P(OCC(CO)=O)(O)(O)=O,"InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)",GNGACRATGGDKBX-UHFFFAOYSA-N
BMGC_DG14148,BMG_DG179459,,S(c1c(cc(cc1)O)O)c2c(cc(cc2)O)O,,WEMYXYMZQRSPIA-UHFFFAOYSA-N
BMGC_DG14149,BMG_DG179470,,O=Cc1c(O)ccc([N+]([O-])=O)c1,,IHFRMUGEILMHNU-UHFFFAOYSA-N
BMGC_DG14150,BMG_DG179475,,N#Cc1c(-c2ccccc2)cc(-c3ccccc3)nc1N,,YFQVSTNNJZZYLY-UHFFFAOYSA-N
BMGC_DG14151,BMG_DG179482,,O=S(=O)(N)c1ccc(O)c(N)c1,,AVQFHKYAVVQYQO-UHFFFAOYSA-N
BMGC_DG14152,BMG_DG179494,C1=CC(=CC=C1S(=O)(=O)N)Cl,,"InChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)",HHHDJHHNEURCNV-UHFFFAOYSA-N
BMGC_DG14153,BMG_DG179497,C1=CC(=CC=C1[N+](=O)[O-])[As](=O)(O)O,[As](c1ccc([N+]([O-])=O)cc1)(=O)(O)O,"InChI=1S/C6H6AsNO5/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4H,(H2,9,10,11)",FUUFQLXAIUOWML-UHFFFAOYSA-N
BMGC_DG14154,BMG_DG179500,B(C1=CC=CC=C1)(O)O,c1ccc(cc1)B(O)O,"InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H",HXITXNWTGFUOAU-UHFFFAOYSA-N
BMGC_DG14155,BMG_DG179503,CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C(F)F)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5OC/C=C/C(C6=NC7=CC=CC=C7N=C6O4)(F)F)C(C)(C)C,n1c2c(nc3ccccc13)C(/C=C/CO[C@]4([C@](OC(N[C@H](C(N5[C@@H](C[C@@](O2)(C5)[H])C(=O)N[C@]6([C@@H](C6)C(F)F)C(NS(=O)(=O)C7(CC7)C)=O)=O)C(C)(C)C)=O)(CCC4)[H])[H])(F)F,"InChI=1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1",MLSQGNCUYAMAHD-ITNVBOSISA-N
BMGC_DG14156,BMG_DG179506,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O,c12c(C(c3ccccc3C1=O)=O)c(cc(c2O)O)O,"InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H",BBNQQADTFFCFGB-UHFFFAOYSA-N
BMGC_DG14157,BMG_DG179516,,C(c1ccc(O)c(O)c1)(=O)CCl,,LWTJEJCZJFZKEL-UHFFFAOYSA-N
BMGC_DG14158,BMG_DG179527,,O=C(c1ccc([N+]([O-])=O)cc1)CBr,,MBUPVGIGAMCMBT-UHFFFAOYSA-N
BMGC_DG14159,BMG_DG179564,C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2,c1c2[nH]c(c1)cc3C=Cc(cc4ccc(cc5C=Cc(c2)n5)[nH]4)n3,"InChI=1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21-22H",RKCAIXNGYQCCAL-CEVVSZFKSA-N;JZRYQZJSTWVBBD-UHFFFAOYSA-N
BMGC_DG14160,BMG_DG179565,,O(c1ccc(Nc2ccc(N)cc2)cc1)C,,RBLUJIWKMSZIMK-UHFFFAOYSA-N
BMGC_DG14161,BMG_DG179572,,COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1,,FVWGKRAXWKLEHX-UHFFFAOYSA-N
BMGC_DG14162,BMG_DG179585,C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O,c12c(C(c3ccccc3C1=O)=O)c(ccc2O)O,"InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H",GUEIZVNYDFNHJU-UHFFFAOYSA-N
BMGC_DG14163,BMG_DG179601,,O=S(=O)(O)CCNC1CCCCC1,,MKWKNSIESPFAQN-UHFFFAOYSA-N
BMGC_DG14164,BMG_DG179606,,O=C(Nc1ccc(N)cc1)C(=O)O,,HVAINFDIRWAPQM-UHFFFAOYSA-N
BMGC_DG14165,BMG_DG179612,CN(C)C(C1=CSC=C1)C(=O)NC2=CC3=C(C=C2)C(=O)NC=C3,c1(cscc1)C(C(Nc2cc3c(cc2)c([nH]cc3)=O)=O)N(C)C,"InChI=1S/C17H17N3O2S/c1-20(2)15(12-6-8-23-10-12)17(22)19-13-3-4-14-11(9-13)5-7-18-16(14)21/h3-10,15H,1-2H3,(H,18,21)(H,19,22)",VDYRZXYYQMMFJW-UHFFFAOYSA-N
BMGC_DG14166,BMG_DG179639,,c12c3C(OC(c1cccc2ccc3)=O)=O,,GRSMWKLPSNHDHA-UHFFFAOYSA-N
BMGC_DG14167,BMG_DG179718,C(C(=O)CO)O,C(=O)(CO)CO,"InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2",RXKJFZQQPQGTFL-UHFFFAOYSA-N
BMGC_DG14168,BMG_DG179722,,S(N(CC)c1ccccc1)(=O)(=O)c2cc([N+](=O)[O-])ccc2N,,AGSWRZMLPKYDNM-UHFFFAOYSA-N
BMGC_DG14169,BMG_DG179729,,c12c(C(c3ccccc3C1=O)=O)ccc(c2N)C(O)=O,,MMKNBFSDCOALQO-UHFFFAOYSA-N
BMGC_DG14170,BMG_DG179733,,NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1,,ZQWXOBLMDBJRLY-UHFFFAOYSA-N
BMGC_DG14171,BMG_DG179739,,c1cc2C(=O)c3c(c(c(cc3)C)N)C(c2cc1)=O,,ZLCUIOWQYBYEBG-UHFFFAOYSA-N
BMGC_DG14172,BMG_DG179751,,[H][C@]12C[C@]([H])(CC1)c3c(C(NC(C)(C)C)=O)nn(-c4ccc(F)cc4F)c23,,NTPZXHMTJGOMCJ-WDEREUQCSA-N
BMGC_DG14173,BMG_DG179752,,c12C(c3ccccc3C(c1ccc(c2)C(=O)O)=O)=O,,ASDLSKCKYGVMAI-UHFFFAOYSA-N
BMGC_DG14174,BMG_DG179766,C[C@@H]([C@@H](C1=CC2=C(C=C1)OCCO2)OC3=CC4=C(C=C3)N(N=C4)C5=CC=CC(=C5)C(=O)N[C@@H]6CCOC6)NC(=O)C(C)(F)F,,"InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1",ZZWJKLGCDHYVMB-BWGXUDETSA-N
BMGC_DG14175,BMG_DG179793,,OS(=O)(=O)c1cc(O)c2cc(Nc3ccccc3)ccc2c1,,QEAYLNJEDDOYNQ-UHFFFAOYSA-N
BMGC_DG14176,BMG_DG179804,,O=S(=O)(O)c1c(Nc2ccc(N)cc2)ccc(N)c1,,VKURVCNKVWKGLX-UHFFFAOYSA-N
BMGC_DG14177,BMG_DG179806,,O=C(Nc1ccc2c(cc(S(=O)(=O)O)cc2O)c1)c3ccc(N)cc3,,BRIUJVAXLMLKPY-UHFFFAOYSA-N
BMGC_DG14178,BMG_DG179817,CCC(=O)O[C@H](C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3,,"InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30+,39?/m1/s1",BIDNLKIUORFRQP-AJTMIRJTSA-N
BMGC_DG14179,BMG_DG179835,C1CC(=O)N([C@H]1C(=O)NC(CC2=CC=CC=C2)C(=O)C(=O)NC3CC3)CC4=CC=CC=C4,N1([C@H](CCC1=O)C(=O)NC(Cc2ccccc2)C(C(=O)NC3CC3)=O)Cc4ccccc4,"InChI=1S/C25H27N3O4/c29-22-14-13-21(28(22)16-18-9-5-2-6-10-18)24(31)27-20(15-17-7-3-1-4-8-17)23(30)25(32)26-19-11-12-19/h1-10,19-21H,11-16H2,(H,26,32)(H,27,31)/t20?,21-/m1/s1",MMLDHJRGTZHNHV-BPGUCPLFSA-N
BMGC_DG14180,BMG_DG179840,,c12c(C(c3ccccc3C1=O)=O)cccc2N,,KHUFHLFHOQVFGB-UHFFFAOYSA-N
BMGC_DG14181,BMG_DG179864,CC[C@@]1(CC2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O,,"InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28?,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1",JXLYSJRDGCGARV-CUGARIAGSA-N
BMGC_DG14182,BMG_DG179870,C1=CC(=CC=C1NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC=C(C=C4)F)F,,"InChI=1S/C20H13F2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26,27)",RONQPWQYDRPRGG-UHFFFAOYSA-N
BMGC_DG14183,BMG_DG179881,,O=Cc1ccc(N(CC)CC)cc1,,MNFZZNNFORDXSV-UHFFFAOYSA-N
BMGC_DG14184,BMG_DG179890,CC1=CC(=NC(=N1)N2CC3CN(CC3C2)C(=O)C4=C(C=CC=C4F)N5N=CC=N5)C,,"InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3",SQOCEMCKYDVLMM-UHFFFAOYSA-N
BMGC_DG14185,BMG_DG179917,CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=CC(=C5)O)N=C4C3=C2)[Si](C)(C)C(C)(C)C)O,[Si](C(C)(C)C)(C)(C)c1c2c(-c3n(C2)c(=O)c4c(c3)[C@](CC)(O)C(OC4)=O)nc5c1cc(cc5)O,"InChI=1S/C26H30N2O5Si/c1-7-26(32)18-11-20-21-16(12-28(20)23(30)17(18)13-33-24(26)31)22(34(5,6)25(2,3)4)15-10-14(29)8-9-19(15)27-21/h8-11,29,32H,7,12-13H2,1-6H3/t26-/m0/s1",XUSKJHCMMWAAHV-SANMLTNESA-N
BMGC_DG14186,BMG_DG179919,,s1c(nc2c1ccc(c2)F)-c3cc(c(cc3)OC)OC,,ZRLSVQBGBBYEAZ-UHFFFAOYSA-N
BMGC_DG14187,BMG_DG179930,,C(Nc1c(cc(c(c1)C)N)Cl)(=O)c2ccccc2,,OIDXADKOPPNJOB-UHFFFAOYSA-N
BMGC_DG14188,BMG_DG179933,,O(c1c(N)cc(cc1)Cl)c2ccc(cc2)Cl,,WLJSUJOESWTGEX-UHFFFAOYSA-N
BMGC_DG14189,BMG_DG179935,C1=C(C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N)N,c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)Cl,"InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)",IHJCXVZDYSXXFT-UHFFFAOYSA-N
BMGC_DG14190,BMG_DG179943,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N=C)C(=O)O)C,c1([C@H](C(N[C@H]2[C@@]3(N([C@@H](C(O)=O)C(C)(S3)C)C2=O)[H])=O)N=C)ccccc1,"InChI=1S/C17H19N3O4S/c1-17(2)12(16(23)24)20-14(22)11(15(20)25-17)19-13(21)10(18-3)9-7-5-4-6-8-9/h4-8,10-12,15H,3H2,1-2H3,(H,19,21)(H,23,24)/t10-,11-,12+,15-/m1/s1",FZECHKJQHUVANE-MCYUEQNJSA-N
BMGC_DG14191,BMG_DG179956,CCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)OC(=O)OCC,[C@@]12([C@](C(COC(=O)CC)=O)(OC(=O)OCC)CC[C@]2([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)[H])(C=CC(=O)C4)C)[H])[H])C,"InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1",FNPXMHRZILFCKX-KAJVQRHHSA-N
BMGC_DG14192,BMG_DG179962,,Oc1ccc(Cc2ccc(O)c(c2)C(=O)O)cc1C(=O)O,,JWQFKVGACKJIAV-UHFFFAOYSA-N
BMGC_DG14193,BMG_DG179968,,O(c1ccc(OCC)cc1)CC,,VWGNFIQXBYRDCH-UHFFFAOYSA-N
BMGC_DG14194,BMG_DG179981,CC1=C(C=CC=C1S(=O)(=O)N[C@@H](CNC(=O)C2=CC=C(S2)Cl)C(=O)N3CCN(CC3)C)N4CCCC4=O,Cc1c(cccc1S(N[C@H](C(=O)N2CCN(C)CC2)CNC(=O)c3ccc(Cl)s3)(=O)=O)N4C(=O)CCC4,"InChI=1S/C24H30ClN5O5S2/c1-16-18(30-10-4-7-22(30)31)5-3-6-20(16)37(34,35)27-17(24(33)29-13-11-28(2)12-14-29)15-26-23(32)19-8-9-21(25)36-19/h3,5-6,8-9,17,27H,4,7,10-15H2,1-2H3,(H,26,32)/t17-/m0/s1",CYVVCTRDWISRAC-KRWDZBQOSA-N
BMGC_DG14195,BMG_DG179984,C1CCC(CC1)CN(CCN2[C@@H]3CC[C@H]2CC(C3)C4=CC(=CC=C4)C(=O)N)C(=O)[C@H](CO)O,C1(CCCCC1)CN(CCN2[C@@H]3C[C@H](C[C@H]2CC3)c4cc(C(=O)N)ccc4)C([C@H](CO)O)=O,"InChI=1S/C26H39N3O4/c27-25(32)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)29(22)12-11-28(26(33)24(31)17-30)16-18-5-2-1-3-6-18/h4,7-8,13,18,21-24,30-31H,1-3,5-6,9-12,14-17H2,(H2,27,32)/t21?,22-,23+,24-/m0/s1",ATLYLVPZNWDJBW-NHYNNZIHSA-N;ATLYLVPZNWDJBW-KIHHCIJBSA-N
BMGC_DG14196,BMG_DG179986,,S(=O)(O)(O)=O.C1(CN(C(=O)[C@@H](O)CO)CCN2[C@@H]3CC[C@H]2C[C@@H](c4cccc(C(N)=O)c4)C3)CCCCC1,,QNFFAKFVKCGLPK-WTKDUOFSSA-N
BMGC_DG14197,BMG_DG179990,,c12c(c3c(occ3)cc1oc(C)cc2=O)OC,,NZVQLVGOZRELTG-UHFFFAOYSA-N
BMGC_DG14198,BMG_DG179995,,N1CCSCC1,,BRNULMACUQOKMR-UHFFFAOYSA-N
BMGC_DG14199,BMG_DG179997,CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl,N1([C@@H]2C[C@@H](OC(c3cc(Cl)cc(c3)Cl)=O)C[C@H]1CC2)C,"InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14?",MNJNPLVXBISNSX-PBWFPOADSA-N;MNJNPLVXBISNSX-WDNDVIMCSA-N
BMGC_DG14200,BMG_DG180005,C[C@@H](CN1C=CC(=N1)C2=CC(=C(C=C2)C#N)Cl)NC(=O)C3=NNC(=C3)C(C)O,c1(cc(ccc1C#N)-c2nn(cc2)C[C@@H](NC(c3n[nH]c(c3)C(C)O)=O)C)Cl,"InChI=1S/C19H19ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1",BLIJXOOIHRSQRB-PXYINDEMSA-N
BMGC_DG14201,BMG_DG180026,,c1(c(c(C(C)(C)C)cc(-c2cc(C(C)(C)C)c(c(c2)C(C)(C)C)O)c1)O)C(C)(C)C,,GSOYMOAPJZYXTB-UHFFFAOYSA-N
BMGC_DG14202,BMG_DG180030,C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3C(=O)C4=CC=CC=C4C3=O,C1(C(c2ccccc2C1=O)=O)C(C(c3ccccc3)c4ccccc4)=O,"InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H",JYGLAHSAISAEAL-UHFFFAOYSA-N
BMGC_DG14203,BMG_DG180061,C1C[C@H]2[C@H](CC3=C2C=C(C=C3)C#N)N(C1)C(=O)C4=CC5=C(C=C4)N=CN5,c1(cc2c(cc1)C[C@]3([C@@]2(CCCN3C(c4cc5c(cc4)[nH]cn5)=O)[H])[H])C#N,"InChI=1S/C21H18N4O/c22-11-13-3-4-14-10-20-16(17(14)8-13)2-1-7-25(20)21(26)15-5-6-18-19(9-15)24-12-23-18/h3-6,8-9,12,16,20H,1-2,7,10H2,(H,23,24)/t16-,20+/m1/s1",VVZNCSHIBODHMZ-UZLBHIALSA-N
BMGC_DG14204,BMG_DG180067,,c12c(cc(OC)c(c1)OC)c3c([C@]4(C[C@]5([C@@](CN4CC3)([C@@H](OC=C5C(OC)=O)C)[H])[H])[H])[nH]2,,FGWJRZQNNZVCHR-BCRCDCHUSA-N
BMGC_DG14205,BMG_DG180070,CC1=NC=C(C(=C1O)C(=O)O)CO,c1(c(cnc(c1O)C)CO)C(O)=O,"InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)",HXACOUQIXZGNBF-UHFFFAOYSA-N
BMGC_DG14206,BMG_DG180073,,O=C1N(N=C(C)C1)c2c(cccc2)CC,,HKFAMUCGCCUZMC-UHFFFAOYSA-N
BMGC_DG14207,BMG_DG180086,C1=CC2=C3C(=C1)C(=O)C(=O)C3=CC=C2,c12c3C(=O)C(c1cccc2ccc3)=O,InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H,AFPRJLBZLPBTPZ-UHFFFAOYSA-N
BMGC_DG14208,BMG_DG180105,,O=C(Nc1ccc2c(cc(S(=O)(=O)O)cc2O)c1)Nc3ccc4c(cc(S(=O)(=O)O)cc4O)c3,,PCGISRHGYLRXSR-UHFFFAOYSA-N
BMGC_DG14209,BMG_DG180110,CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3,N1(C(c2ccccc2)c3ccccc3)CCN(CC1)C,"InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3",UVKZSORBKUEBAZ-UHFFFAOYSA-N
BMGC_DG14210,BMG_DG180120,,O=C(Nc1c(SSc2c(NC(=O)c3ccccc3)cccc2)cccc1)c4ccccc4,,ZHMIOPLMFZVSHY-UHFFFAOYSA-N
BMGC_DG14211,BMG_DG180124,,O=C(Nc1c(ccc(Cl)c1)C)c2c(O)cc3c(cccc3)c2,,XZOACPDZZYNJER-UHFFFAOYSA-N
BMGC_DG14212,BMG_DG180126,,O=C(Nc1cccc([N+]([O-])=O)c1)c2c(O)cc3c(cccc3)c2,,YZJSKRBKHCLMQC-UHFFFAOYSA-N
BMGC_DG14213,BMG_DG180127,,c1ccc2Oc3ccccc3Nc2c1,,TZMSYXZUNZXBOL-UHFFFAOYSA-N
BMGC_DG14214,BMG_DG180133,,C(CBr)(=O)c1ccc(cc1)-c2ccccc2,,KGHGZRVXCKCJGX-UHFFFAOYSA-N
BMGC_DG14215,BMG_DG180134,,O(c1c(OC)cc(OC)cc1)C,,AGIQIOSHSMJYJP-UHFFFAOYSA-N
BMGC_DG14216,BMG_DG180136,C1CC2CCC1[C@@H]([C@H]2NC3=NC(=NC=C3F)C4=CNC5=C4C=C(C=N5)F)C(=O)O,C12[C@@H]([C@H](C(CC1)CC2)Nc3nc(ncc3F)-c4c[nH]c5c4cc(cn5)F)C(=O)O,"InChI=1S/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9?,10?,15-,16-/m0/s1",JGPXDNKSIXAZEQ-SBBZOCNPSA-N
BMGC_DG14217,BMG_DG180141,CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl,N1(C(c2ccc(cc2)Cl)c3ccccc3)CCN(CC1)Cc4ccc(C(C)(C)C)cc4,"InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3",MOYGZHXDRJNJEP-UHFFFAOYSA-N
BMGC_DG14218,BMG_DG180150,CN(C)CC(=O)O,CN(C)CC(=O)O,"InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)",FFDGPVCHZBVARC-UHFFFAOYSA-N
BMGC_DG14219,BMG_DG180152,,O=S(=O)(N(C)C)c1ccc(c([N+]([O-])=O)c1)Cl,,HBTAOSGHCXUEKI-UHFFFAOYSA-N
BMGC_DG14220,BMG_DG180155,C1CC(C1)(C2=CC=C(C=C2)N3C4=C(C=CC(=N4)C5=CC=CC=C5)N=C3C6=C(N=CC=C6)N)N.Cl,,"InChI=1S/C27H24N6.ClH/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27;/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30);1H",DRHSWSSVIKDJME-UHFFFAOYSA-N
BMGC_DG14221,BMG_DG180159,C1=CC=C2C(=C1)C=CC(=N2)C3C(=O)C4=CC=CC=C4C3=O,c12c(cccc1)C(C(c3nc4c(cc3)cccc4)C2=O)=O,"InChI=1S/C18H11NO2/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15/h1-10,16H",IZMJMCDDWKSTTK-UHFFFAOYSA-N
BMGC_DG14222,BMG_DG180164,C[C@@H](C1=CC=C(C=C1)[C@@H](CNC(C)(C)C)O)N,[C@@H](CNC(C)(C)C)(c1ccc(cc1)[C@H](C)N)O,"InChI=1S/C14H24N2O/c1-10(15)11-5-7-12(8-6-11)13(17)9-16-14(2,3)4/h5-8,10,13,16-17H,9,15H2,1-4H3/t10-,13+/m0/s1",KUHBBYPXWKYKKR-GXFFZTMASA-N
BMGC_DG14223,BMG_DG180181,,C(N)c1ccc(F)cc1,,IIFVWLUQBAIPMJ-UHFFFAOYSA-N
BMGC_DG14224,BMG_DG180185,CNC(=O)C1=CC=C(C=C1)NC2=NC=C3CN(CCC3=N2)C4=C(C=CC(=C4)NC(=O)C5=NC=CC(=C5)C(F)(F)F)Cl,,"InChI=1S/C28H23ClF3N7O2/c1-33-25(40)16-2-4-19(5-3-16)37-27-35-14-17-15-39(11-9-22(17)38-27)24-13-20(6-7-21(24)29)36-26(41)23-12-18(8-10-34-23)28(30,31)32/h2-8,10,12-14H,9,11,15H2,1H3,(H,33,40)(H,36,41)(H,35,37,38)",FLJSOYXRJCMRAE-UHFFFAOYSA-N
BMGC_DG14225,BMG_DG180197,C1CC(=O)NC(=O)[C@H]1N2CC3=C(C2=O)C=CC=C3OCC4=CC=C(C=C4)CN5CCOCC5,N1C([C@H](CCC1=O)N2C(c3cccc(c3C2)OCc4ccc(cc4)CN5CCOCC5)=O)=O,"InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1",IXZOHGPZAQLIBH-NRFANRHFSA-N
BMGC_DG14226,BMG_DG180229,,c1(C(O)=O)c(S[Hg]CC)cccc1,,HXQVQGWHFRNKMS-UHFFFAOYSA-M
BMGC_DG14227,BMG_DG180235,,c1(ccc(cc1C)N(CC)CC)N,,XBTWVJKPQPQTDW-UHFFFAOYSA-N
BMGC_DG14228,BMG_DG180250,CC1=C(C(=CC=C1)C(=O)O)O,c1(c(c(ccc1)C)O)C(O)=O,"InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)",WHSXTWFYRGOBGO-UHFFFAOYSA-N
BMGC_DG14229,BMG_DG180266,CN1CC[C@H]([C@@H]1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=C(C=C(C=C4)C(F)(F)F)Cl)O)O,c1(cc(c2c(o1)c(c(cc2O)O)[C@H]3[C@@H](N(CC3)C)CO)=O)-c4c(cc(cc4)C(F)(F)F)Cl,"InChI=1S/C22H19ClF3NO5/c1-27-5-4-12(14(27)9-28)19-15(29)7-16(30)20-17(31)8-18(32-21(19)20)11-3-2-10(6-13(11)23)22(24,25)26/h2-3,6-8,12,14,28-30H,4-5,9H2,1H3/t12-,14+/m1/s1",MRPGRAKIAJJGMM-OCCSQVGLSA-N
BMGC_DG14230,BMG_DG180267,C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O,[C@]12(C(=CC(C=C1)=O)[C@@H](C)C[C@@]3([C@@]2([C@H](C[C@@]4([C@](C(=O)CO)(O)CC[C@@]34[H])C)O)[H])[H])C,"InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1",VHRSUDSXCMQTMA-PJHHCJLFSA-N
BMGC_DG14231,BMG_DG180283,CCN(CC)CCOC1=C(C(=CC=C1)OCCN(CC)CC)OCCN(CC)CC,c1(c(OCCN(CC)CC)cccc1OCCN(CC)CC)OCCN(CC)CC,"InChI=1S/C24H45N3O3/c1-7-25(8-2)16-19-28-22-14-13-15-23(29-20-17-26(9-3)10-4)24(22)30-21-18-27(11-5)12-6/h13-15H,7-12,16-21H2,1-6H3",ICLWTJIMXVISSR-UHFFFAOYSA-N
BMGC_DG14232,BMG_DG180287,CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O,O=C(N[C@H](C(=O)O)CCCNC(=N)N)C,"InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1",SNEIUMQYRCDYCH-LURJTMIESA-N
BMGC_DG14233,BMG_DG180293,,n1c(nccc1N)N,,YAAWASYJIRZXSZ-UHFFFAOYSA-N
BMGC_DG14234,BMG_DG180294,,c1(nc(cc(n1)Cl)N)N,,QJIUMVUZDYPQRT-UHFFFAOYSA-N
BMGC_DG14235,BMG_DG180319,C1C(CC1(CNC2=NC=C(C=N2)N3C=CC(=C3)C(=O)N)C4=C(C=CC=N4)F)F,n1(cc(cc1)C(=O)N)-c2cnc(nc2)NC[C@@]3(C[C@@H](C3)F)c4c(cccn4)F,"InChI=1S/C19H18F2N6O/c20-13-6-19(7-13,16-15(21)2-1-4-23-16)11-26-18-24-8-14(9-25-18)27-5-3-12(10-27)17(22)28/h1-5,8-10,13H,6-7,11H2,(H2,22,28)(H,24,25,26)",MQXWPWOCXGARRK-UHFFFAOYSA-N;MQXWPWOCXGARRK-HJGJAMNPSA-N
BMGC_DG14236,BMG_DG180323,CC(C)NCCN(C1=CC2=NC(=CN=C2C=C1)C3=CN(N=C3)C)C4=CC(=CC(=C4)OC)OC,C(CNC(C)C)N(c1cc2nc(cnc2cc1)-c3cnn(c3)C)c4cc(cc(c4)OC)OC,"InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3",OLAHOMJCDNXHFI-UHFFFAOYSA-N
BMGC_DG14237,BMG_DG180334,CNC(=O)O[C@H]1COC2=C([C@@H]1NC(=O)C3=CC=C(C=C3)F)C=C(C=C2)N4CCN(CC4)C5COC5,CNC(O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(c5ccc(F)cc5)=O)=O,"InChI=1S/C25H29FN4O5/c1-27-25(32)35-22-15-34-21-7-6-18(29-8-10-30(11-9-29)19-13-33-14-19)12-20(21)23(22)28-24(31)16-2-4-17(26)5-3-16/h2-7,12,19,22-23H,8-11,13-15H2,1H3,(H,27,32)(H,28,31)/t22-,23-/m0/s1",NDEBZCZEAVMSQF-GOTSBHOMSA-N
BMGC_DG14238,BMG_DG180338,,Nc1nn2c(cccc2n1)-c3ccc(cc3)CN4CCS(CC4)(=O)=O,,BYWJAVQGRJEEHH-UHFFFAOYSA-N
BMGC_DG14239,BMG_DG180361,CC1=CC2=C(C=C1C)N=CN2,c12c(cc(C)c(c1)C)nc[nH]2,"InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)",LJUQGASMPRMWIW-UHFFFAOYSA-N
BMGC_DG14240,BMG_DG180364,CCC1=C(C=CC(=C1)C(=O)N)N2C3=NC=CC(=C3C(=N2)C(C)C)N4C=C(N=C4)C5=CN(N=C5)C,CCc1c(-n2nc(C(C)C)c3c(-n4cnc(-c5cn(C)nc5)c4)ccnc32)ccc(C(=O)N)c1,"InChI=1S/C25H26N8O/c1-5-16-10-17(24(26)34)6-7-20(16)33-25-22(23(30-33)15(2)3)21(8-9-27-25)32-13-19(28-14-32)18-11-29-31(4)12-18/h6-15H,5H2,1-4H3,(H2,26,34)",NVVPMZUGELHVMH-UHFFFAOYSA-N
BMGC_DG14241,BMG_DG180365,,c1ccc2nsnc2c1,,PDQRQJVPEFGVRK-UHFFFAOYSA-N
BMGC_DG14242,BMG_DG180368,CC(C)[C@@H](C(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)[C@@H]9[C@H]1CC[C@H](C1)N9C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC,C(N[C@H](C(=O)N1CC2(CC2)C[C@H]1c3ncc([nH]3)-c4cc5C(c6cc(ccc6-c5cc4)-c7ccc8nc([nH]c8c7)[C@H]9N([C@@H]%10CC[C@H]9C%10)C([C@H](C(C)C)NC(=O)OC)=O)(F)F)C(C)C)(=O)OC,"InChI=1S/C49H54F2N8O6/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63)/t29-,30+,38-,39-,40-,41-/m0/s1",VRTWBAAJJOHBQU-KMWAZVGDSA-N
BMGC_DG14243,BMG_DG180387,,CCCCOc1c2[nH]c(c(C(NC3CCCCC3)=O)cc2ccc1OC)=O,,KIVHVAVIXCVGPY-UHFFFAOYSA-N
BMGC_DG14244,BMG_DG180390,C1=C(C=C(C(=C1Br)O)Br)C[C@@H](C(=O)O)N,Oc1c(Br)cc(cc1Br)C[C@H](N)C(O)=O,"InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1",COESHZUDRKCEPA-ZETCQYMHSA-N
BMGC_DG14245,BMG_DG180411,C1=CC=C2C(=C1)C(=CC(=O)C2=O)O,C1=C(C(=O)c2c(C1=O)cccc2)O,"InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H",WVCHIGAIXREVNS-UHFFFAOYSA-N;CSFWPUWCSPOLJW-UHFFFAOYSA-N
BMGC_DG14246,BMG_DG180432,CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC,c12c(C(=O)[C@@]3([C@](O1)(COc4cc(OC)c(cc34)OC)[H])[H])ccc5O[C@H](Cc25)C(=C)C,"InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1",JUVIOZPCNVVQFO-HBGVWJBISA-N
BMGC_DG14247,BMG_DG180438,,c1(cc(-c2ccccc2)ccc1O)C(=O)O,,LGERKUYJCZOBTB-UHFFFAOYSA-N
BMGC_DG14248,BMG_DG180452,,c12c(c(c3ccoc3n1)OC)ccc(c2OC)OC,,SLSIBLKBHNKZTB-UHFFFAOYSA-N
BMGC_DG14249,BMG_DG180459,,N1(c2c(ccc(c2)Cl)Sc3c1cccc3)CCCN4CCC(C(=O)N)CC4,,OSJJYEUEJRVVOD-UHFFFAOYSA-N
BMGC_DG14250,BMG_DG180464,C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)O,[nH]1cc(c2ccccc12)C[C@@H](C(=O)O)O,"InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m0/s1",XGILAAMKEQUXLS-JTQLQIEISA-N
BMGC_DG14251,BMG_DG180466,,n1(C)c2ccccc2c(C[C@H](N)C(=O)O)c1,,ZADWXFSZEAPBJS-JTQLQIEISA-N
BMGC_DG14252,BMG_DG180470,CC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl,N1(c2c(ccc(c2)Cl)Sc3c1cccc3)CCCN4CCN(CC4)CCOC(=O)C,"InChI=1S/C23H28ClN3O2S/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27/h2-3,5-8,17H,4,9-16H2,1H3",AIUHRQHVWSUTGJ-UHFFFAOYSA-N
BMGC_DG14253,BMG_DG180478,C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O,c12-c3c(C(=O)C(c1cccc2)=O)cccc3,InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H,YYVYAPXYZVYDHN-UHFFFAOYSA-N
BMGC_DG14254,BMG_DG180481,,c1cc(cc(c1)O)-c2cc(=O)c3c(o2)c(c(cc3)O)O,,ZJZSQGDOCUHCCW-UHFFFAOYSA-N
BMGC_DG14255,BMG_DG180499,C[C@@H]1CNC(=O)NC1=O,O=C1[C@H](C)CNC(N1)=O,"InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)/t3-/m1/s1",NBAKTGXDIBVZOO-GSVOUGTGSA-N
BMGC_DG14256,BMG_DG180508,C1=CC=C(C=C1)NC(=S)N,C(Nc1ccccc1)(=S)N,"InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)",FULZLIGZKMKICU-UHFFFAOYSA-N
BMGC_DG14257,BMG_DG180509,,CCCc1cc(C(=O)O)[nH]n1,,QYPSYPPSHXDFLV-UHFFFAOYSA-N
BMGC_DG14258,BMG_DG180522,,c1(C(O)=O)c(ccc(c1)F)O,,JWPRICQKUNODPZ-UHFFFAOYSA-N
BMGC_DG14259,BMG_DG180539,C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N,C([C@H](CSSC[C@@H](C(=O)O)N)N)(=O)O,"InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1",LEVWYRKDKASIDU-IMJSIDKUSA-N
BMGC_DG14260,BMG_DG180544,C[C@H]1CC[C@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)[C@@H]8C[C@@H](CN8C(=O)[C@@H](C9=CC=CC=C9)NC(=O)OC)COC,C(N1[C@@H](C)CC[C@H]1c2nc3ccc4cc5-c6ccc(-c7cnc([C@@H]8C[C@H](COC)CN8C(=O)[C@@H](c9ccccc9)NC(=O)OC)[nH]7)cc6COc5cc4c3[nH]2)(=O)[C@H](C(C)C)NC(=O)OC,"InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1",FHCUMDQMBHQXKK-CDIODLITSA-N
BMGC_DG14261,BMG_DG180546,C1N(CSC(=S)N1CC2=CC=CC=C2)CC3=CC=CC=C3,N1(C(SCN(C1)Cc2ccccc2)=S)Cc3ccccc3,"InChI=1S/C17H18N2S2/c20-17-19(12-16-9-5-2-6-10-16)13-18(14-21-17)11-15-7-3-1-4-8-15/h1-10H,11-14H2",QFVAWNPSRQWSDU-UHFFFAOYSA-N
BMGC_DG14262,BMG_DG180549,,c12[nH]c3cc(OC)ccc3c1CCN4[C@@]2(C[C@@]5([C@@H]([C@@H](OC)[C@@H](C[C@]5([H])C4)OC(c6cc(OC)c(c(c6)OC)OC(=O)OCC)=O)C(=O)OC)[H])[H],,ZCDNRPPFBQDQHR-SSYATKPKSA-N
BMGC_DG14263,BMG_DG180561,C(CN=C(N)N)C(=O)O,C(=N)(NCCC(=O)O)N,"InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)",KMXXSJLYVJEBHI-UHFFFAOYSA-N
BMGC_DG14264,BMG_DG180583,,c12c(C(c3ccccc3C1=O)=O)ccc(c2)C,,NJWGQARXZDRHCD-UHFFFAOYSA-N
BMGC_DG14265,BMG_DG180646,C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O,C1(c2c(cccc2)C(c3c1cccc3)=O)=O,InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H,RZVHIXYEVGDQDX-UHFFFAOYSA-N
BMGC_DG14266,BMG_DG180704,,Fc1ccc2[nH]ccc2c1,,ODFFPRGJZRXNHZ-UHFFFAOYSA-N
BMGC_DG14267,BMG_DG180715,C1=CC(=CC=C1C(F)(F)F)O,Oc1ccc(C(F)(F)F)cc1,"InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H",BAYGVMXZJBFEMB-UHFFFAOYSA-N
BMGC_DG14268,BMG_DG180732,CS(=O)C,[S+]([O-])(C)C,InChI=1S/C2H6OS/c1-4(2)3/h1-2H3,IAZDPXIOMUYVGZ-UHFFFAOYSA-N
BMGC_DG14269,BMG_DG180746,,S(c1c2c(nccc2)c(cc1)O)(=O)(=O)O,,LGDFHDKSYGVKDC-UHFFFAOYSA-N
BMGC_DG14270,BMG_DG180769,,NS(=O)(=O)c1nc2ccccc2s1,,SDYMYAFSQACTQP-UHFFFAOYSA-N
BMGC_DG14271,BMG_DG180802,,O=C(O)Cc1c(F)cccc1,,RPTRFSADOICSSK-UHFFFAOYSA-N
BMGC_DG14272,BMG_DG180803,CC#CC1=CC(=CN=C1)C2=CC3=C(CC4([C@]35N=C(C(=N5)N)C)CCC(CC4)OC)C=C2,c1(cncc(c1)C#CC)-c2cc3[C@]4(N=C(N)C(C)=N4)[C@]5(Cc3cc2)CC[C@@H](OC)CC5,"InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22?,25?,26-/m0/s1",WKDNQONLGXOZRG-BOPKNSRXSA-N;WKDNQONLGXOZRG-HRNNMHKYSA-N
BMGC_DG14273,BMG_DG180848,,,,
BMGC_DG14274,BMG_DG180858,CC1=C(C=CC2=C1OC[C@H]([C@H]2C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)O,c1(c(c2c(cc1)[C@@H]([C@@H](CO2)c3ccc(cc3)O)c4ccc(cc4)O)C)O,"InChI=1S/C22H20O4/c1-13-20(25)11-10-18-21(15-4-8-17(24)9-5-15)19(12-26-22(13)18)14-2-6-16(23)7-3-14/h2-11,19,21,23-25H,12H2,1H3/t19-,21-/m0/s1",QVCAATSEPLQVBX-FPOVZHCZSA-N
BMGC_DG14275,BMG_DG180861,CN1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C5C(=O)NCC6(N5C4=N3)CCCCC6,O=C1c2n(C3(CN1)CCCCC3)c4c(c2)cnc(n4)Nc5ccc(cn5)N6CCN(CC6)C,"InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)",PDGKHKMBHVFCMG-UHFFFAOYSA-N
BMGC_DG14276,BMG_DG180862,C(C(F)F)C(F)(F)F,FC(CC(F)F)(F)F,"InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2",MSSNHSVIGIHOJA-UHFFFAOYSA-N
BMGC_DG14277,BMG_DG180867,CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCN)/C3=CC=CC=C3,c1(ccc(cc1)\C(=C(/CC)\c2ccccc2)\c3ccc(cc3)OCCN)O,"InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23-",YCQBLTPGQSYLHD-VHXPQNKSSA-N
BMGC_DG14278,BMG_DG180870,,,,
BMGC_DG14279,BMG_DG180878,,C(/C=C/c1ccc(cc1)C(C)(C)C)(=O)Nc2cc3OCCOc3cc2,,GZTFUVZVLYUPRG-IZZDOVSWSA-N
BMGC_DG14280,BMG_DG180890,CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)OC)O)C)O)C=O)O,Oc1cc(C)c(C(=O)Oc2cc(c(C(=O)OC)c(c2C)O)C)c(c1C=O)O,"InChI=1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3",YLOYKYXNDHOHHT-UHFFFAOYSA-N
BMGC_DG14281,BMG_DG180895,C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3,c12c(cc(cc1O[C@@H](CC2=O)c3ccccc3)O)O,"InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1",URFCJEUYXNAHFI-ZDUSSCGKSA-N
BMGC_DG14282,BMG_DG180896,,Oc1cc(O)c(C(=O)O)c(c1)C,,AMKYESDOVDKZKV-UHFFFAOYSA-N
BMGC_DG14283,BMG_DG180897,CC(=O)C1=C(C=C(C=C1O)O)O,O=C(c1c(O)cc(O)cc1O)C,"InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3",XLEYFDVVXLMULC-UHFFFAOYSA-N
BMGC_DG14284,BMG_DG180900,COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC,COc1c(OC)c(OC)c2c(=O)cc(-c3ccc(OC)cc3)oc2c1OC,"InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3",ULSUXBXHSYSGDT-UHFFFAOYSA-N
BMGC_DG14285,BMG_DG180902,COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC,o1ccc2c1c(OC)c3oc(=O)ccc3c2OC,"InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3",DFMAXQKDIGCMTL-UHFFFAOYSA-N
BMGC_DG14286,BMG_DG180904,CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C,o1ccc2c1cc3oc(=O)ccc3c2OCC=C(C)C,"InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3",IGWDEVSBEKYORK-UHFFFAOYSA-N
BMGC_DG14287,BMG_DG180909,,O(C)c1c2c(c(c(c1O)C(C)=O)OC)cco2,,GEUAWNMVARSYHO-UHFFFAOYSA-N
BMGC_DG14288,BMG_DG180913,,c1(c2c(ccc(c2)C)nc(c1)-c3ccccc3)C(=O)OCC,,BUDBHJPMAKXMLD-UHFFFAOYSA-N
BMGC_DG14289,BMG_DG180914,C1=CC=C2C(=C1)C(=O)NC2=O,c12c(C(=O)NC1=O)cccc2,"InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)",XKJCHHZQLQNZHY-UHFFFAOYSA-N
BMGC_DG14290,BMG_DG180916,C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S,,"InChI=1S/C14H10N2OS/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9H,(H,15,18)",CRGOYNYLYMPGKH-UHFFFAOYSA-N
BMGC_DG14291,BMG_DG180919,,O=C(Nc1ccccc1)c2cc[nH]n2,,WMZYZYFPPQOFKY-UHFFFAOYSA-N
BMGC_DG14292,BMG_DG180920,CC1=C2C(=C3C=CC(=O)C=C3N2)C=CN1,[nH]1c2c(C)nccc2c3ccc(O)cc31,"InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,13-14H,1H3",LBBJNGFCXDOYMQ-UHFFFAOYSA-N;SATMZMMKDDTOSQ-UHFFFAOYSA-N
BMGC_DG14293,BMG_DG180925,C1=CC(=C(C=C1CCN)O)O,c1(c(ccc(c1)CCN)O)O,"InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2",VYFYYTLLBUKUHU-UHFFFAOYSA-N
BMGC_DG14294,BMG_DG180932,,C(c1c(ccc(c1)-c2cc(ncc2)F)OCc3ccccc3)(=O)Nc4cnccc4,,WCIGMFCFPXZRMQ-UHFFFAOYSA-N
BMGC_DG14295,BMG_DG180936,CC1=NN(C2=C1C=C(C=C2)C(=O)NS(=O)(=O)C)C3=CC(=C(N=C3)OCC(C)C)Cl,CC(COc1c(Cl)cc(-n2nc(C)c3cc(C(NS(=O)(=O)C)=O)ccc32)cn1)C,"InChI=1S/C19H21ClN4O4S/c1-11(2)10-28-19-16(20)8-14(9-21-19)24-17-6-5-13(7-15(17)12(3)22-24)18(25)23-29(4,26)27/h5-9,11H,10H2,1-4H3,(H,23,25)",RVTSXVZXEGFIPW-UHFFFAOYSA-N
BMGC_DG14296,BMG_DG180939,C1=CC=C(C=C1)C2=CC(=O)C3=C(C=CC=C3O2)O,c1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,"InChI=1S/C15H10O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H",IYBLVRRCNVHZQJ-UHFFFAOYSA-N
BMGC_DG14297,BMG_DG180941,,O=C(C(=O)c1ncccc1)c2ncccc2,,PIINXYKJQGMIOZ-UHFFFAOYSA-N
BMGC_DG14298,BMG_DG180945,,o1cccc1C(=O)C(=O)c2occc2,,SXPUVBFQXJHYNS-UHFFFAOYSA-N
BMGC_DG14299,BMG_DG180949,C1CCN(C1)CCN(CC2=CC=CC=C2)C3=CC=CC=C3,c1ccccc1CN(CCN2CCCC2)c3ccccc3,"InChI=1S/C19H24N2/c1-3-9-18(10-4-1)17-21(19-11-5-2-6-12-19)16-15-20-13-7-8-14-20/h1-6,9-12H,7-8,13-17H2",MXHODDGKGSGCDI-UHFFFAOYSA-N
BMGC_DG14300,BMG_DG180951,,c1(cc(-c2cnccc2)ccn1)-c3cnccc3,,OILSPHJMIPYURT-UHFFFAOYSA-N
BMGC_DG14301,BMG_DG180955,,O(c1c(OC)cc(cc1)C)C,,GYPMBQZAVBFUIZ-UHFFFAOYSA-N
BMGC_DG14302,BMG_DG180956,,o1cc(O)c(=O)cc1,,VEYIMQVTPXPUHA-UHFFFAOYSA-N
BMGC_DG14303,BMG_DG180957,,c1(c(cccc1)C(O)=O)C(c2ccccc2)=O,,FGTYTUFKXYPTML-UHFFFAOYSA-N
BMGC_DG14304,BMG_DG180989,C(CO)C(=O)O,C(CCO)(=O)O,"InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)",ALRHLSYJTWAHJZ-UHFFFAOYSA-N
BMGC_DG14305,BMG_DG180991,,O=c1cccco1,,ZPSJGADGUYYRKE-UHFFFAOYSA-N
BMGC_DG14306,BMG_DG180997,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O,,"InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16?,20-/m1/s1",RGJOEKWQDUBAIZ-DRCCLKDXSA-N
BMGC_DG14307,BMG_DG181004,CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC,O(C)c1cc(ccc1Nc2nc(Nc3c(P(C)(C)=O)cccc3)c(cn2)Cl)N4CCC(CC4)N5CCN(CC5)C,"InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)",AILRADAXUVEEIR-UHFFFAOYSA-N
BMGC_DG14308,BMG_DG181031,,c1ccc(N2CNC(C23CCN(CCCOc4ccc(F)cc4)CC3)=O)cc1,,FJUKDAZEABGEIH-UHFFFAOYSA-N
BMGC_DG14309,BMG_DG181040,CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)OCC2=CC=C(S2)CN3CCC4(CCC5=CC=CC=C54)CC3,,"InChI=1S/C31H33NO3S/c1-2-5-25(20-30(33)34)23-8-10-26(11-9-23)35-22-28-13-12-27(36-28)21-32-18-16-31(17-19-32)15-14-24-6-3-4-7-29(24)31/h3-4,6-13,25H,14-22H2,1H3,(H,33,34)/t25-/m0/s1",LGIUHWQDGPFXSG-VWLOTQADSA-N
BMGC_DG14310,BMG_DG181047,C1=CC(=O)C(=O)C=C1CC(C(=O)O)N,NC(CC1=CC(=O)C(=O)C=C1)C(O)=O,"InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)",AHMIDUVKSGCHAU-UHFFFAOYSA-N
BMGC_DG14311,BMG_DG181051,,OC(=O)c1ccccc1C2c3ccc(O)cc3Oc4cc(O)ccc24,,MURGITYSBWUQTI-UHFFFAOYSA-N
BMGC_DG14312,BMG_DG181061,CC[C@H](C)N1C=C(C2=C(C=C(C=C21)C3=CN=C(C=C3)N4CCNCC4)C(=O)NCC5=C(C=C(NC5=O)C)C)C,n1(cc(c2c(cc(cc12)-c3cnc(cc3)N4CCNCC4)C(=O)NCc5c([nH]c(cc5C)C)=O)C)[C@H](CC)C,"InChI=1S/C31H38N6O2/c1-6-22(5)37-18-20(3)29-25(30(38)34-17-26-19(2)13-21(4)35-31(26)39)14-24(15-27(29)37)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18,22,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39)/t22-/m0/s1",FKSFKBQGSFSOSM-QFIPXVFZSA-N
BMGC_DG14313,BMG_DG181064,,c1(nc2c(cn1)c(nn2[C@H]3CC[C@@H](CC3)O)-c4ccc(cc4)S(N5CCOCC5)(=O)=O)NCCCC,,KAAPXWSYROPAEL-MXVIHJGJSA-N
BMGC_DG14314,BMG_DG181068,,O=C1N(C(=O)c2ccccc12)c3ccccc3,,MFUPLJQNEXUUDW-UHFFFAOYSA-N
BMGC_DG14315,BMG_DG181074,CN(C)CCN1C2=CC=CC=C2SC3=CC=CC=C31,c1ccc2Sc3ccccc3N(CCN(C)C)c2c1,"InChI=1S/C16H18N2S/c1-17(2)11-12-18-13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)18/h3-10H,11-12H2,1-2H3",PFAXACNYGZVKMX-UHFFFAOYSA-N
BMGC_DG14316,BMG_DG181077,CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C=C3)C,c12c(c3c(cc1)OC(C=C3)(C)C)oc(cc2)=O,"InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3",QUVCQYQEIOLHFZ-UHFFFAOYSA-N
BMGC_DG14317,BMG_DG181078,C(C1[C@H](C(C([C@H](O1)O[C@@H]2C(O[C@@H](C(C2O)O)O)CO)O)O)O)O,,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5-,6?,7?,8?,9?,10-,11+,12-/m1/s1",GUBGYTABKSRVRQ-JTGJSBPZSA-N
BMGC_DG14318,BMG_DG181085,CCC1=C(N2C=C(C=CC2=N1)Cl)C(=O)NCC3=CC=C(C=C3)N4CCC(CC4)C5=CC=C(C=C5)OC(F)(F)F,c1(Cl)ccc2nc(CC)c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)n2c1,"InChI=1S/C29H28ClF3N4O2/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33/h3-12,18,21H,2,13-17H2,1H3,(H,34,38)",OJICYBSWSZGRFB-UHFFFAOYSA-N
BMGC_DG14319,BMG_DG181087,,O=c1oc(nc2ccccc12)C,,WMQSKECCMQRJRX-UHFFFAOYSA-N
BMGC_DG14320,BMG_DG181091,,CC1=C(C)C(=O)C(C)=C(C)C1=O,,WAMKWBHYPYBEJY-UHFFFAOYSA-N
BMGC_DG14321,BMG_DG181099,C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-],[Cl-].[o+]1c2c(cc(c1-c3cc(c(O)c(c3)O)O)O)c(O)cc(c2)O,"InChI=1S/C15H10O7.ClH/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6;/h1-5H,(H5-,16,17,18,19,20,21);1H",FFNDMZIBVDSQFI-UHFFFAOYSA-N
BMGC_DG14322,BMG_DG181100,CCCOC(=O)C1=CC=CC(=C1)C2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3)F)CN,c1(cccc(C(=O)OCCC)c1)-c2c(ccc(c2)C(=O)Nc3c(cncc3)F)CN,"InChI=1S/C23H22FN3O3/c1-2-10-30-23(29)17-5-3-4-15(11-17)19-12-16(6-7-18(19)13-25)22(28)27-21-8-9-26-14-20(21)24/h3-9,11-12,14H,2,10,13,25H2,1H3,(H,26,27,28)",PNWBYIFLWUCWKS-UHFFFAOYSA-N
BMGC_DG14323,BMG_DG181101,,[o+]1c2c(cc(c1-c3cc(O)c(cc3)O)O)c(O)cc(c2)O.[Cl-],,COAWNPJQKJEHPG-UHFFFAOYSA-N
BMGC_DG14324,BMG_DG181109,C[C@]1(C=CSC(=N1)N)C2=C(C=CC(=C2)NC(=O)C3=NC=C(C=C3)C#N)F,c1(ccc(cn1)C#N)C(=O)Nc2cc(c(cc2)F)[C@]3(N=C(SC=C3)N)C,"InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1",VLLFGVHGKLDDLW-SFHVURJKSA-N
BMGC_DG14325,BMG_DG181116,,c1c(O)c2CCCCc2cc1,,SCWNNOCLLOHZIG-UHFFFAOYSA-N
BMGC_DG14326,BMG_DG181120,CC(=O)NC1[C@@H](CC(O[C@H]1C(C(CO)O)O)(C(=O)O)O)O,,"InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6?,7?,8?,9-,11?/m1/s1",SQVRNKJHWKZAKO-VSUCAOSQSA-N
BMGC_DG14327,BMG_DG181121,COC1=CC(=O)C=C(C1=O)OC,O=C1C(OC)=CC(=O)C=C1OC,"InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3",OLBNOBQOQZRLMP-UHFFFAOYSA-N
BMGC_DG14328,BMG_DG181122,,c1cn(cn1)C(=O)n2ccnc2,,PFKFTWBEEFSNDU-UHFFFAOYSA-N
BMGC_DG14329,BMG_DG181126,,O=C1CCc2c(cccc2)C1,,KCKZIWSINLBROE-UHFFFAOYSA-N
BMGC_DG14330,BMG_DG181130,,C(CC(O)=O)c1c2cc3C(C)=C(CCC(O)=O)c(n3)cc4c(C)c(CCC(O)=O)c([nH]4)cc5nc(cc([nH]2)c1C)C(CCC(O)=O)=C5C,,VORBHEGMEBOMMB-JRHDEHKPSA-N
BMGC_DG14331,BMG_DG181137,,C(Nc1cc2cccnc2cc1)(Nc3cc4cccnc4cc3)=O,,MJNIRKGFUIUCQO-UHFFFAOYSA-N
BMGC_DG14332,BMG_DG181147,C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C,c12c(nc(cn1)-c3cnn(C)c3)n([C@@H](C)c4ccc5n(ccn5)c4)nn2,"InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1",XYDNMOZJKOGZLS-NSHDSACASA-N
BMGC_DG14333,BMG_DG181163,C(C(C(=O)OP(=O)(O)O)O)OP(=O)(O)O,,"InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)",LJQLQCAXBUHEAZ-UHFFFAOYSA-N
BMGC_DG14334,BMG_DG181164,,,,
BMGC_DG14335,BMG_DG181167,,O=C(c1ccc(cc1)Cl)CBr,,FLAYZKKEOIAALB-UHFFFAOYSA-N
BMGC_DG14336,BMG_DG181173,CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O,c1cc(O)ccc1C[C@@H](C(=O)O)NC(=O)C,"InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1",CAHKINHBCWCHCF-JTQLQIEISA-N
BMGC_DG14337,BMG_DG181183,CC1=C(C=C(C=C1)NC2=NC=CC(=N2)NC3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N,c12c(nn(c1C)C)cc(Nc3nc(Nc4cc(S(=O)(=O)N)c(C)cc4)ncc3)cc2,"InChI=1S/C20H21N7O2S/c1-12-4-5-15(11-18(12)30(21,28)29)24-20-22-9-8-19(25-20)23-14-6-7-16-13(2)27(3)26-17(16)10-14/h4-11H,1-3H3,(H2,21,28,29)(H2,22,23,24,25)",XWOGXAVHJKKNPO-UHFFFAOYSA-N
BMGC_DG14338,BMG_DG181204,CN(C)CCC(C1=CC=C(C=C1)Br)C2=CC=CC=N2,C(CCN(C)C)(c1ccc(cc1)Br)c2ncccc2,"InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3",ZDIGNSYAACHWNL-UHFFFAOYSA-N
BMGC_DG14339,BMG_DG181210,,c1cc(CSC(N)=N)ccc1Cl,,YOCWIHYZDHPSHD-UHFFFAOYSA-N
BMGC_DG14340,BMG_DG181217,,c1cc(N)ccc1S(=O)(=O)Nc2ccc(S(=O)(=O)N)cc2,,GCQZFVAHUZIDRP-UHFFFAOYSA-N
BMGC_DG14341,BMG_DG181231,C1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,c1nc2cncnc2n1[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O,"InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1",MRWXACSTFXYYMV-FDDDBJFASA-N
BMGC_DG14342,BMG_DG181236,CN1C=NC2=C1C(=O)NC(=O)N2,Cn1cnc2[nH]c(=O)[nH]c(=O)c12,"InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)",PFWLFWPASULGAN-UHFFFAOYSA-N
BMGC_DG14343,BMG_DG181242,,O1C(Cc2c1cccc2)=O,,ACZGCWSMSTYWDQ-UHFFFAOYSA-N
BMGC_DG14344,BMG_DG181250,CN1C(=O)CC(C1=O)C2=CC=CC=C2,N1(C(C(c2ccccc2)CC1=O)=O)C,"InChI=1S/C11H11NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3",WLWFNJKHKGIJNW-UHFFFAOYSA-N
BMGC_DG14345,BMG_DG181264,CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,OCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3",CNNRPFQICPFDPO-UHFFFAOYSA-N
BMGC_DG14346,BMG_DG181282,CC1CS(=O)(=O)CCN1/N=C/C2=CC=C(O2)[N+](=O)[O-],c1(oc(/C=N/N2CCS(CC2C)(=O)=O)cc1)[N+]([O-])=O,"InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+",ARFHIAQFJWUCFH-IZZDOVSWSA-N
BMGC_DG14347,BMG_DG181283,CCCOC1=C(C=CC(=C1)N)C(=O)OCCN(CC)CC,c1(c(cc(cc1)N)OCCC)C(=O)OCCN(CC)CC,"InChI=1S/C16H26N2O3/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3",CAJIGINSTLKQMM-UHFFFAOYSA-N
BMGC_DG14348,BMG_DG181290,,c12c(ccc(c1O)C(O)=O)cccc2,,SJJCQDRGABAVBB-UHFFFAOYSA-N
BMGC_DG14349,BMG_DG181320,C1=CC=C2C(=C1)C=CC=C2C(=O)O,c12c(cccc1C(O)=O)cccc2,"InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)",LNETULKMXZVUST-UHFFFAOYSA-N
BMGC_DG14350,BMG_DG181321,CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)C3=CC(=C(C=C3)Cl)Cl)COC,N1([C@H]2[C@@H]([C@H](C[C@@H]1CC2)c3cc(c(cc3)Cl)Cl)COC)C,"InChI=1S/C16H21Cl2NO/c1-19-11-4-6-16(19)13(9-20-2)12(8-11)10-3-5-14(17)15(18)7-10/h3,5,7,11-13,16H,4,6,8-9H2,1-2H3/t11-,12+,13+,16+/m0/s1",PGYDXVBZYKQYCS-VPWBDBDCSA-N
BMGC_DG14351,BMG_DG181331,C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O,c1(c(cccc1)C(O)=O)NC(c2ccccc2)=O,"InChI=1S/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)",WXVLIIDDWFGYCV-UHFFFAOYSA-N
BMGC_DG14352,BMG_DG181335,,n1cccc(c1)-c2cnccc2,,OFDVABAUFQJWEZ-UHFFFAOYSA-N
BMGC_DG14353,BMG_DG181338,C1[C@H]2CN([C@@H]1CN2CC3=CC=C(C=C3)OC4=CC=C(C=C4)C5=NC=CO5)CC6=CC=C(C=C6)C(=O)O,C(c1ccc(Oc2ccc(-c3occn3)cc2)cc1)N4C[C@H]5N(Cc6ccc(C(=O)O)cc6)C[C@@H]4C5,"InChI=1S/C29H27N3O4/c33-29(34)23-5-1-20(2-6-23)16-31-18-25-15-24(31)19-32(25)17-21-3-9-26(10-4-21)36-27-11-7-22(8-12-27)28-30-13-14-35-28/h1-14,24-25H,15-19H2,(H,33,34)/t24-,25-/m0/s1",GERJIEKMNDGSCS-DQEYMECFSA-N
BMGC_DG14354,BMG_DG181341,C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-],c1ccc2c(c1)c(ccc2)[N+]([O-])=O,InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,RJKGJBPXVHTNJL-UHFFFAOYSA-N
BMGC_DG14355,BMG_DG181354,,,,
BMGC_DG14356,BMG_DG181367,[O-2].[Mg+2],[O-2].[Mg+2],InChI=1S/Mg.O/q+2;-2,AXZKOIWUVFPNLO-UHFFFAOYSA-N
BMGC_DG14357,BMG_DG181383,CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2,O(c1c(C)cccc1)C(c2ccccc2)CCNC,"InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3",VHGCDTVCOLNTBX-UHFFFAOYSA-N
BMGC_DG14358,BMG_DG181410,CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C,n1(c(nc2c(c1=O)ccc(Cl)c2)[C@H](N(C(c3ccc(cc3)C)=O)CCCN)C(C)C)Cc4ccccc4,"InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1",QJZRFPJCWMNVAV-HHHXNRCGSA-N
BMGC_DG14359,BMG_DG181411,,O=C(c1c(O)cccc1)Nc2cccc(C(F)(F)F)c2,,WQDAVGDBWHWDSC-UHFFFAOYSA-N
BMGC_DG14360,BMG_DG181413,,,,
BMGC_DG14361,BMG_DG181419,,,,
BMGC_DG14362,BMG_DG181422,,,,
BMGC_DG14363,BMG_DG181423,,,,
BMGC_DG14364,BMG_DG181424,,,,
BMGC_DG14365,BMG_DG181425,,,,
BMGC_DG14366,BMG_DG181426,,,,
BMGC_DG14367,BMG_DG181427,,,,
BMGC_DG14368,BMG_DG181428,,,,
BMGC_DG14369,BMG_DG181429,,CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1,,JFVNFXCESCXMBC-UHFFFAOYSA-N
BMGC_DG14370,BMG_DG181430,,,,
BMGC_DG14371,BMG_DG181432,,,,
BMGC_DG14372,BMG_DG181435,,,,
BMGC_DG14373,BMG_DG181436,,,,
BMGC_DG14374,BMG_DG181437,,,,
BMGC_DG14375,BMG_DG181438,,,,
BMGC_DG14376,BMG_DG181441,,O(c1ccc(Br)cc1)CC,,WVUYYXUATWMVIT-UHFFFAOYSA-N
BMGC_DG14377,BMG_DG181442,,Cc1ccccc1C(=O)n2cccn2,,RYSRFZOAAPABLM-UHFFFAOYSA-N
BMGC_DG14378,BMG_DG181446,,Oc1c(O)cc2c([C@@H](c3ccccc3)CNCC2)c1,,JUDKOGFHZYMDMF-CQSZACIVSA-N
BMGC_DG14379,BMG_DG181450,CCCC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-],[C@@]12([H])[C@](O1)([H])[C@H]3[N+]([C@@H]2C[C@H](C3)OC(=O)[C@@H](c4ccccc4)CO)(CCCC)C.[Br-],"InChI=1S/C21H30NO4.BrH/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;1H/q+1;/p-1/t15?,16-,17-,18+,19-,20+,22?;/m1./s1",HOZOZZFCZRXYEK-HNHWXVNLSA-M;HOZOZZFCZRXYEK-GSWUYBTGSA-M
BMGC_DG14380,BMG_DG181452,CC(C)[C@@H](C(=O)NC(CCCN=C(N)N)C=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O,,"InChI=1S/C27H44N10O6/c1-16(2)21(23(40)34-18(15-38)10-6-12-32-25(28)29)37-22(39)19(11-7-13-33-26(30)31)35-27(43)36-20(24(41)42)14-17-8-4-3-5-9-17/h3-5,8-9,15-16,18-21H,6-7,10-14H2,1-2H3,(H,34,40)(H,37,39)(H,41,42)(H4,28,29,32)(H4,30,31,33)(H2,35,36,43)/t18?,19-,20?,21-/m0/s1",SDNYTAYICBFYFH-MAHYXTOZSA-N
BMGC_DG14381,BMG_DG181478,C1=CC=C2C(=C1)C3=CC=CC=C3N2,[nH]1c2c(cccc2)c3c1cccc3,"InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H",UJOBWOGCFQCDNV-UHFFFAOYSA-N
BMGC_DG14382,BMG_DG181480,,c1cc(cc(c1O)O)C[C@@H](C(O)=O)NC(=O)/C=C/c2ccc(cc2)O,,UUXSHXGLOWJTDV-PXYYCUNGSA-N
BMGC_DG14383,BMG_DG181491,C1=CC=C(C=C1)C2NC3=CC(=C(C=C3C(=O)N2)S(=O)(=O)N)Cl,c1c(Cl)c(S(N)(=O)=O)cc2c1NC(c3ccccc3)NC2=O,"InChI=1S/C14H12ClN3O3S/c15-10-7-11-9(6-12(10)22(16,20)21)14(19)18-13(17-11)8-4-2-1-3-5-8/h1-7,13,17H,(H,18,19)(H2,16,20,21)",DBDTUXMDTSTPQZ-UHFFFAOYSA-N
BMGC_DG14384,BMG_DG181493,,C(Oc1c2ncccc2ccc1)(=O)c3ccccc3,,BHKPHCKISVSDGV-UHFFFAOYSA-N
BMGC_DG14385,BMG_DG181496,CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42.Cl,N12C(c3c(cccc3)Cc4c1cccc4)CN(CC2)C.Cl,"InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H",YNPFMWCWRVTGKJ-UHFFFAOYSA-N
BMGC_DG14386,BMG_DG181500,CC(C)C(=O)OC1=C(C=C(C=C1)CCNC)OC(=O)C(C)C,C(C)(C(=O)Oc1ccc(CCNC)cc1OC(C(C)C)=O)C,"InChI=1S/C17H25NO4/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4/h6-7,10-12,18H,8-9H2,1-5H3",WDKXLLJDNUBYCY-UHFFFAOYSA-N
BMGC_DG14387,BMG_DG181504,,[C@@H](c1ccccc1)(CN)CC(=O)O,,DAFOCGYVTAOKAJ-VIFPVBQESA-N
BMGC_DG14388,BMG_DG181511,CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)C,c1(nc(CCCC)cc2c1cccc2)OCCN(C)C,"InChI=1S/C17H24N2O/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3",XNMYNYSCEJBRPZ-UHFFFAOYSA-N
BMGC_DG14389,BMG_DG181543,,[C@@H]([C@H](O)C(=O)O)([C@@H]([C@@H](O)CO)O)O,,RGHNJXZEOKUKBD-QTBDOELSSA-N
BMGC_DG14390,BMG_DG181554,C[C@@H]([C@H]([C@H]([C@@H](C(=O)[O-])O)O)O)O,,"InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/p-1/t2-,3+,4+,5-/m0/s1",NBFWIISVIFCMDK-RSJOWCBRSA-M
BMGC_DG14391,BMG_DG181564,C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Gd+3],,"InChI=1S/C14H23N3O10.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+3/p-3",IZOOGPBRAOKZFK-UHFFFAOYSA-K
BMGC_DG14392,BMG_DG181565,,[C@@]12(O[C@]1(C[C@H](C(=C)C)CC2)[H])C,,CCEFMUBVSUDRLG-KXUCPTDWSA-N
BMGC_DG14393,BMG_DG181576,C([C@H](C(=O)O)N)SSC[C@H](C(=O)O)N,C([C@@H](CSSC[C@H](C(=O)O)N)N)(=O)O;OC(=O)[C@H](N)CSSC[C@@H](N)C(O)=O,"InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1",LEVWYRKDKASIDU-QWWZWVQMSA-N
BMGC_DG14394,BMG_DG181586,C1CC[C@H]([C@@H](C1)N)N.C(=O)(C(=O)O)O.[Pt+2],,"InChI=1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2/t5-,6-;;/m1../s1",ZROHGHOFXNOHSO-BNTLRKBRSA-N
BMGC_DG14395,BMG_DG181592,C/C(=C/CC[C@@]1([C@H]2CC[C@H](C2)C1=C)C)/CO,C1([C@@]([C@@H]2C[C@H]1CC2)(CC/C=C(\CO)/C)C)=C,"InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-/t13-,14+,15+/m1/s1",OJYKYCDSGQGTRJ-GQYWAMEOSA-N
BMGC_DG14396,BMG_DG181593,CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O,CC[C@]1([C@]2(CC)[C@]([H])([C@@]3([H])C(C=C2)=C4C(=CC(CC4)=O)CC3)CC1)O,"InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1",OXHNQTSIKGHVBH-ANULTFPQSA-N
BMGC_DG14397,BMG_DG181594,,,,
BMGC_DG14398,BMG_DG181595,,,,
BMGC_DG14399,BMG_DG181596,,,,
BMGC_DG14400,BMG_DG181597,,,,
BMGC_DG14401,BMG_DG181598,,,,
BMGC_DG14402,BMG_DG181600,,,,
BMGC_DG14403,BMG_DG181602,,,,
BMGC_DG14404,BMG_DG181603,,[C@@H](Cc1ccccc1)(NC([C@@H](NC(OCCOCCOC)=O)CC(C)C)=O)C(C(NC2CC2)=O)=O,,PMEQLUMDXFJNRY-SFTDATJTSA-N
BMGC_DG14405,BMG_DG181604,,,,
BMGC_DG14406,BMG_DG181606,,,,
BMGC_DG14407,BMG_DG181614,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4OC)O,C[C@@]12[C@]([C@]3([C@@](c4c(CC3)c(OC)c(O)cc4)(CC1)[H])[H])(CC[C@@H]2O)[H],"InChI=1S/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1",BCWZIZLVBYHFES-PYEWSWHRSA-N
BMGC_DG14408,BMG_DG181629,C1=CC=C(C=C1)CC2=CC(=O)NC(=S)N2,c1c([nH]c([nH]c1Cc2ccccc2)=S)=O,"InChI=1S/C11H10N2OS/c14-10-7-9(12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)",PNXBXCRWXNESOV-UHFFFAOYSA-N
BMGC_DG14409,BMG_DG181633,,,,
BMGC_DG14410,BMG_DG181634,C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=S)(O1)O,,"InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21?/m1/s1",SMPNJFHAPJOHPP-JOILOJCLSA-N
BMGC_DG14411,BMG_DG181647,C[C@H]1C[C@H]([C@@](O[C@@H]1[C@H]2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)[C@H]6[C@@H]([C@H]([C@@H]([C@](O6)(CC(=O)O)O)C)OC)OC)C)O)C)C)O[C@@H]7C[C@@H]([C@H]([C@@H](O7)C)OC)OC)(C)O)C.N,[C@]12(O[C@@]([C@@]3(O[C@@]([C@]4([C@H](C[C@@](O4)([C@]5(O[C@]([C@H](C)C[C@@H]5C)(C)O)[H])[H])O[C@@]6(C[C@@H]([C@@H](OC)[C@@H](O6)C)OC)[H])[H])(C)CC3)[H])(C)CC1)O[C@]([C@H]([C@]7([C@@H]([C@H]([C@H](C)[C@](O7)(CC([O-])=O)O)OC)OC)[H])C)([C@H](C)[C@H](C2)O)[H].[NH4+],"InChI=1S/C47H80O17.H3N/c1-23-18-24(2)45(9,51)61-36(23)31-19-32(58-35-20-30(53-10)40(55-12)28(6)57-35)42(59-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)25(3)37(62-46)26(4)38-41(56-13)39(54-11)27(5)47(52,63-38)22-34(49)50;/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50);1H3/t23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46+,47+;/m0./s1",WQGJEAMPBSZCIF-HKSLRPGUSA-N
BMGC_DG14412,BMG_DG181657,CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C,n1c[nH]c(c1)C(C)c2cccc(c2C)C,"InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)",CUHVIMMYOGQXCV-UHFFFAOYSA-N
BMGC_DG14413,BMG_DG181671,CC[C@H](C)[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)CC(=O)N)[C@@H](C)O,,"InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36?/m0/s1",VWXRQYYUEIYXCZ-AVTFEHRISA-N
BMGC_DG14414,BMG_DG181672,C([C@H]([C@H]([C@@H]([C@H](C=O)[18F])O)O)O)O,OC[C@H]([C@H]([C@@H]([C@H](C=O)[18F])O)O)O,"InChI=1S/C6H11FO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2H2/t3-,4+,5+,6+/m0/s1/i7-1",AOYNUTHNTBLRMT-MXWOLSILSA-N
BMGC_DG14415,BMG_DG181676,,C(N/N=C/c1ccc(cc1)N(C)C)(=O)c2ccncc2,,MSHOEHQTHKGVOD-GZTJUZNOSA-N
BMGC_DG14416,BMG_DG181678,C1=CC(=CC(=C1)Cl)/C=N/N=C/C2=CC(=CC=C2)Cl,,"InChI=1S/C14H10Cl2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+",XMOVWXSCYLINBJ-BEQMOXJMSA-N
BMGC_DG14417,BMG_DG181679,,c1(c(Cl)cc(cc1)CC(=O)N(C)[C@H]2[C@@H](CCCC2)N3CCCC3)Cl,,VQLPLYSROCPWFF-QZTJIDSGSA-N
BMGC_DG14418,BMG_DG181680,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl,c12[C@H](c3cc(Cl)c(cc3)Cl)CC[C@@H](c1cccc2)NC,"InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1",VGKDLMBJGBXTGI-SJCJKPOMSA-N
BMGC_DG14419,BMG_DG181683,C1=CC=C2C(=C1)C=CC=C2CC(=O)O,c1ccc2c(c1)cccc2CC(=O)O,"InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)",PRPINYUDVPFIRX-UHFFFAOYSA-N
BMGC_DG14420,BMG_DG181695,,n1(c2ccccc2[nH]c1=O)C3CCN(CC3)CCOc4ccccc4,,NVDBBGBUTKLRSN-UHFFFAOYSA-N
BMGC_DG14421,BMG_DG181709,,c12c(cc(O)cc1)cccc2N,,FSBRKZMSECKELY-UHFFFAOYSA-N
BMGC_DG14422,BMG_DG181722,,c12c3c(cccc3)[nH]c1CN4CCN(CCCC(c5ccc(cc5)F)=O)CC4C2,,YCNCIZWAGQTWBI-UHFFFAOYSA-N
BMGC_DG14423,BMG_DG181735,CC(C)(C(=O)OCCCOC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)Cl,Clc1ccc(OC(C(=O)OCCCOC(c2cccnc2)=O)(C)C)cc1,"InChI=1S/C19H20ClNO5/c1-19(2,26-16-8-6-15(20)7-9-16)18(23)25-12-4-11-24-17(22)14-5-3-10-21-13-14/h3,5-10,13H,4,11-12H2,1-2H3",AYJVGKWCGIYEAK-UHFFFAOYSA-N
BMGC_DG14424,BMG_DG181741,,n1(nc(-c2ccccc2)c(-c3ccccc3)c1CC(=O)O)-c4ccccc4,,LZRDDINFIHUVCX-UHFFFAOYSA-N
BMGC_DG14425,BMG_DG181742,C1=CC2=C(C=C1S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O)SC=N2,OC(CCCc1cc2cc(ccc2n1S(c3cc4scnc4cc3)(=O)=O)Cl)=O,"InChI=1S/C19H15ClN2O4S2/c20-13-4-7-17-12(8-13)9-14(2-1-3-19(23)24)22(17)28(25,26)15-5-6-16-18(10-15)27-11-21-16/h4-11H,1-3H2,(H,23,24)",OQDQIFQRNZIEEJ-UHFFFAOYSA-N
BMGC_DG14426,BMG_DG181743,,c1(nc(Cl)c(c(N2CCN(CC2)C)n1)SC)NC,,ITYXRJDDBZMFAY-UHFFFAOYSA-N
BMGC_DG14427,BMG_DG181745,,c12c(cc(S(O)(=O)=O)cc1O)cc(N)cc2,,KYARBIJYVGJZLB-UHFFFAOYSA-N
BMGC_DG14428,BMG_DG181748,C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)[C@H](CCN)O)N)N,[C@H]1([C@@H](O)[C@@](O[C@H](CO)[C@H]1O)([H])O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@]3(O[C@@H](CC[C@H]3N)CN)[H])N)NC([C@H](CCN)O)=O)N,"InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1",MKKYBZZTJQGVCD-XTCKQBCOSA-N
BMGC_DG14429,BMG_DG181752,,Clc1ccc2sc(c(c2c1)C)CC(=O)O,,QNJIHQOPIPJYLU-UHFFFAOYSA-N
BMGC_DG14430,BMG_DG181756,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C,N12[C@@](SC([C@@H]1C(=O)O)(C)C)([H])[C@@H](C2=O)NC(=O)COc3ccccc3,"InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",BPLBGHOLXOTWMN-MBNYWOFBSA-N
BMGC_DG14431,BMG_DG181770,CC(C)CC1=CC=C(C=C1)C(C)C(=O)NO,c1cc(ccc1CC(C)C)C(C(NO)=O)C,"InChI=1S/C13H19NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14-16/h4-7,9-10,16H,8H2,1-3H3,(H,14,15)",BYPIURIATSUHDW-UHFFFAOYSA-N
BMGC_DG14432,BMG_DG181772,C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CC(=O)O,c1n(nc(c1CC(=O)O)-c2ccc(cc2)Cl)-c3ccccc3,"InChI=1S/C17H13ClN2O2/c18-14-8-6-12(7-9-14)17-13(10-16(21)22)11-20(19-17)15-4-2-1-3-5-15/h1-9,11H,10H2,(H,21,22)",XVUQHFRQHBLHQD-UHFFFAOYSA-N
BMGC_DG14433,BMG_DG181773,C1C(=O)NC(=O)N1/N=C/C=C/C2=CC=C(O2)[N+](=O)[O-],C1(NC(CN1/N=C/C=C/c2oc(cc2)[N+]([O-])=O)=O)=O,"InChI=1S/C10H8N4O5/c15-8-6-13(10(16)12-8)11-5-1-2-7-3-4-9(19-7)14(17)18/h1-5H,6H2,(H,12,15,16)/b2-1+,11-5+",DECBQELQORZLLP-UAIOPKHMSA-N
BMGC_DG14434,BMG_DG181781,C1CC1C(C2CC2)NC3=NCCO3,C1CN=C(O1)NC(C2CC2)C3CC3,"InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)",CQXADFVORZEARL-UHFFFAOYSA-N
BMGC_DG14435,BMG_DG181799,C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)C5=CC=CC(=C5)C(F)(F)F,C(F)(F)(F)c1cc2nccc(c2cc1)Nc3c(C(OCCN4CCN(CC4)c5cc(ccc5)C(F)(F)F)=O)cccc3,"InChI=1S/C30H26F6N4O2/c31-29(32,33)20-4-3-5-22(18-20)40-14-12-39(13-15-40)16-17-42-28(41)24-6-1-2-7-25(24)38-26-10-11-37-27-19-21(30(34,35)36)8-9-23(26)27/h1-11,18-19H,12-17H2,(H,37,38)",NWGGKKGAFZIVBJ-UHFFFAOYSA-N
BMGC_DG14436,BMG_DG181819,C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O,C(P(=O)(O)O)(P(=O)(O)O)(Cn1cncc1)O,"InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)",XRASPMIURGNCCH-UHFFFAOYSA-N
BMGC_DG14437,BMG_DG181821,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC=C4[C@@]3(CCC(=C4)C(=O)O)C,[C@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC1)[H])(CCC(=C4)C(=O)O)C)[H])(CC[C@@H]2C(NC(C)(C)C)=O)[H])C,"InChI=1S/C25H37NO3/c1-23(2,3)26-21(27)20-9-8-18-17-7-6-16-14-15(22(28)29)10-12-24(16,4)19(17)11-13-25(18,20)5/h6,14,17-20H,7-13H2,1-5H3,(H,26,27)(H,28,29)/t17-,18-,19-,20+,24-,25-/m0/s1",VAPSMQAHNAZRKC-PQWRYPMOSA-N
BMGC_DG14438,BMG_DG181822,,C(/C=C\C/C=C\C/C=C\CC)CCCCCCC(NCc1ccccc1)=O,,VCMMYRWIEZCYDK-PDBXOOCHSA-N
BMGC_DG14439,BMG_DG181824,,C(/C=C\C/C=C\CCCCC)CCCCCCC(NCc1ccccc1)=O,,YJWLCIANOBCQGW-HZJYTTRNSA-N
BMGC_DG14440,BMG_DG181831,C[C@@H]1[C@@H](C[C@@H](C(=O)N1CC(F)(F)F)NC(=O)C2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)N=C2)C6=CC=CC=C6,C[C@@H]1[C@@H](C[C@@H](C(=O)N1CC(F)(F)F)NC(=O)c2cc3C[C@]4(Cc3nc2)c5cccnc5NC4=O)c6ccccc6,"InChI=1S/C29H26F3N5O3/c1-16-20(17-6-3-2-4-7-17)11-22(26(39)37(16)15-29(30,31)32)35-25(38)19-10-18-12-28(13-23(18)34-14-19)21-8-5-9-33-24(21)36-27(28)40/h2-10,14,16,20,22H,11-13,15H2,1H3,(H,35,38)(H,33,36,40)/t16-,20-,22+,28+/m1/s1",DDOOFTLHJSMHLN-ZQHRPCGSSA-N
BMGC_DG14441,BMG_DG181832,CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2OC,c1ccc(c(c1)OC(=O)C)C(=O)Oc2c(cccc2)OC,"InChI=1S/C16H14O5/c1-11(17)20-13-8-4-3-7-12(13)16(18)21-15-10-6-5-9-14(15)19-2/h3-10H,1-2H3",HSJFYRYGGKLQBT-UHFFFAOYSA-N
BMGC_DG14442,BMG_DG181841,,c1ccn2c(c1)nc(-c3ccc(cc3)C(C)C(=O)O)c2,,OJGQFYYLKNCIJD-UHFFFAOYSA-N
BMGC_DG14443,BMG_DG181854,C(CC(=O)NCCS(=O)(=O)O)[C@@H](C(=O)O)N,S(CCNC(CC[C@@H](C(O)=O)N)=O)(=O)(O)=O,"InChI=1S/C7H14N2O6S/c8-5(7(11)12)1-2-6(10)9-3-4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14,15)/t5-/m0/s1",WGXUDTHMEITUBO-YFKPBYRVSA-N
BMGC_DG14444,BMG_DG181856,COC1=CC(=CC(=C1Br)OC)CC2=CN=C(N=C2N)N,Brc1c(cc(cc1OC)Cc2cnc(nc2N)N)OC,"InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)",BFCRRLMMHNLSCP-UHFFFAOYSA-N
BMGC_DG14445,BMG_DG181861,,[N+](c1cc(ccc1)-n2c(n(c(c3c2cccc3)=O)CC)=O)(=O)[O-],,GNWCRBFQZDJFTI-UHFFFAOYSA-N
BMGC_DG14446,BMG_DG181869,CC(C)(C)NCC(COC1=CC=C(C=C1)NC(=O)NC2CCCCC2)O,C(C)(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1,"InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)",MXFWWQICDIZSOA-UHFFFAOYSA-N
BMGC_DG14447,BMG_DG181876,CC(C)(C)N1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3,C1CC(c2ccccc2)(c3ccccc3)CCN1C(C)(C)C,"InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3",QIHLUZAFSSMXHQ-UHFFFAOYSA-N
BMGC_DG14448,BMG_DG181882,CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@H]4C1=CC(=O)CC4,O=C1C=C2C(C)=C[C@@]3([C@]([C@@]2([H])CC1)([H])CC[C@]4([C@]3(CC[C@@]4(C(=O)C)O)[H])C)[H],"InChI=1S/C21H28O3/c1-12-10-18-16(15-5-4-14(23)11-17(12)15)6-8-20(3)19(18)7-9-21(20,24)13(2)22/h10-11,15-16,18-19,24H,4-9H2,1-3H3/t15-,16-,18-,19+,20+,21+/m1/s1",KZUIYQJTUIACIG-YBZCJVABSA-N
BMGC_DG14449,BMG_DG181887,,c12[nH]cc3c2c(ccc1)[C@]4(C[C@@H](CN([C@]4([H])C3)C)NS(N(C)C)(=O)=O)[H],,VUEGYUOUAAVYAS-JGGQBBKZSA-N
BMGC_DG14450,BMG_DG181891,C1C2N1C(=O)N=C2N,C1(=NC(N2C1C2)=O)N,"InChI=1S/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)",BIXBBIPTYBJTRY-UHFFFAOYSA-N
BMGC_DG14451,BMG_DG181892,CN1C(=CN=C1COC2=CC=C(C=C2)SC)[N+](=O)[O-],n1(c(ncc1[N+](=O)[O-])COc2ccc(cc2)SC)C,"InChI=1S/C12H13N3O3S/c1-14-11(13-7-12(14)15(16)17)8-18-9-3-5-10(19-2)6-4-9/h3-7H,8H2,1-2H3",MIWWSGDADVMLTG-UHFFFAOYSA-N
BMGC_DG14452,BMG_DG181899,C1=CC=C(C(=C1)C(=O)OCCO)O,c1(C(=O)OCCO)c(O)cccc1,"InChI=1S/C9H10O4/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,10-11H,5-6H2",LVYLCBNXHHHPSB-UHFFFAOYSA-N
BMGC_DG14453,BMG_DG181902,CC1=CC(=NC=C1)NC(=O)C(C)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3,c1(ccccc1)C(=O)c2cc(ccc2)C(C)C(Nc3cc(ccn3)C)=O,"InChI=1S/C22H20N2O2/c1-15-11-12-23-20(13-15)24-22(26)16(2)18-9-6-10-19(14-18)21(25)17-7-4-3-5-8-17/h3-14,16H,1-2H3,(H,23,24,26)",ASFKKFRSMGBFRO-UHFFFAOYSA-N
BMGC_DG14454,BMG_DG181904,CC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4,c1c(C)cc2c(c1)n3c4C(NCC3)CCCc24,"InChI=1S/C15H18N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-6,9,13,16H,2-4,7-8H2,1H3",IWVRVEIKCBFZNF-UHFFFAOYSA-N
BMGC_DG14455,BMG_DG181905,CCN(C1=CC=CC=C1C)C(=O)/C=C/C,N(CC)(C(/C=C/C)=O)c1c(C)cccc1,"InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+",DNTGGZPQPQTDQF-XBXARRHUSA-N
BMGC_DG14456,BMG_DG181941,,C(/C=C/c1cc(Br)ccc1)(=O)NCC,,LDCXGZCEMNMWIL-VOTSOKGWSA-N
BMGC_DG14457,BMG_DG181962,C[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)O,N1(C([C@H](CS)C)=O)[C@H](C(=O)O)CCC1,"InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7-/m0/s1",FAKRSMQSSFJEIM-BQBZGAKWSA-N
BMGC_DG14458,BMG_DG181963,C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C,[C@]12([C@@]34[C@]([H])([C@@H](CC[C@]3([C@H](C(O1)=O)C)[H])C)CC[C@@](O2)(C)OO4)[H],"InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1",BLUAFEHZUWYNDE-NNWCWBAJSA-N
BMGC_DG14459,BMG_DG181964,CCN1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC,c1(C(=O)NC[C@@H]2CCCN2CC)cc(ccc1OC)S(=O)(=O)N,"InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1",BGRJTUBHPOOWDU-NSHDSACASA-N
BMGC_DG14460,BMG_DG181966,C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-],[C@@H]1(O[N+]([O-])=O)CO[C@]2([H])[C@@H](O[N+]([O-])=O)CO[C@]12[H],"InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1",MOYKHGMNXAOIAT-JGWLITMVSA-N
BMGC_DG14461,BMG_DG181979,,C1CN(CCN1)CC(NC2CCCCC2)=O,,RTFADALJKSFJDZ-UHFFFAOYSA-N
BMGC_DG14462,BMG_DG181983,,c1(c2c(ccc(c2)F)[nH]c1)C[C@@H](C(=O)O)N,,INPQIVHQSQUEAJ-VIFPVBQESA-N
BMGC_DG14463,BMG_DG181996,C([C@@H](C(=O)O)N)OP(=O)(O)O,O(C[C@H](N)C(=O)O)P(=O)(O)O,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",BZQFBWGGLXLEPQ-REOHCLBHSA-N
BMGC_DG14464,BMG_DG182001,,[C@]1(NC(=O)c2c1cccc2)(c3cc(S(=O)(=O)N)c(cc3)Cl)O,,JIVPVXMEBJLZRO-AWEZNQCLSA-N
BMGC_DG14465,BMG_DG182007,CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC,O=S1(=O)c2c(cc(s2)S(N)(=O)=O)[C@H](CN1CCCOC)NCC,"InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1",HCRKCZRJWPKOAR-JTQLQIEISA-N
BMGC_DG14466,BMG_DG182008,,Oc1cc(CCN[C@@H](C)CCc2ccc(O)cc2)ccc1O,,JRWZLRBJNMZMFE-ZDUSSCGKSA-N
BMGC_DG14467,BMG_DG182014,C[C@H](CC1=CC=C(C=C1)O)NC[C@@H](C2=CC(=CC(=C2)O)O)O,c1(cc(O)cc(c1)O)[C@H](CN[C@@H](Cc2ccc(O)cc2)C)O,"InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m1/s1",LSLYOANBFKQKPT-DIFFPNOSSA-N
BMGC_DG14468,BMG_DG182017,CN1C[C@H](C[C@H]2[C@H]1CC3=CN(C4=CC=CC2=C34)C)NS(=O)(=O)N(C)C,c12cccc3c2c(C[C@@]4([C@]3([H])C[C@H](NS(N(C)C)(=O)=O)CN4C)[H])cn1C,"InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1",JLVHTNZNKOSCNB-YSVLISHTSA-N
BMGC_DG14469,BMG_DG182035,CC[C@@H]([C@@H](C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C,,"InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/t12-,16+/m0/s1",FKNXQNWAXFXVNW-BLLLJJGKSA-N
BMGC_DG14470,BMG_DG182041,C[C@H]([C@H](C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O,[C@H](c1ccc(cc1)O)([C@H](NCCc2ccc(cc2)O)C)O,"InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m1/s1",IOVGROKTTNBUGK-SJKOYZFVSA-N
BMGC_DG14471,BMG_DG182056,C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC#N)O,C12=C3C(=CC(=O)CC3)CC[C@]1([C@]4([C@]([C@@](CC#N)(O)CC4)(C)CC2)[H])[H],"InChI=1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1",AZFLJNIPTRTECV-FUMNGEBKSA-N
BMGC_DG14472,BMG_DG182063,CCN(CC)CC(=O)OC1=CC=C(C=C1)NC(=O)C,C(Oc1ccc(NC(=O)C)cc1)(=O)CN(CC)CC,"InChI=1S/C14H20N2O3/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17/h6-9H,4-5,10H2,1-3H3,(H,15,17)",QTGAJCQTLIRCFL-UHFFFAOYSA-N
BMGC_DG14473,BMG_DG182066,C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)O)O,,"InChI=1S/C15H10O4/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,16,18H",XHLOLFKZCUCROE-UHFFFAOYSA-N
BMGC_DG14474,BMG_DG182068,CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCC=CC3)[N+](=O)[O-])N,c1(c(cc(N)c(c1)[N+]([O-])=O)OCC)C(NC2CCN(CC2)CC3CCC=CC3)=O,"InChI=1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)",ZDLBNXXKDMLZMF-UHFFFAOYSA-N
BMGC_DG14475,BMG_DG182072,C[C@@H](C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)F)C(=O)O,o1c2c(cc(cc2)[C@@H](C(O)=O)C)nc1-c3ccc(cc3)F,"InChI=1S/C16H12FNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)/t9-/m0/s1",ARPYQKTVRGFPIS-VIFPVBQESA-N
BMGC_DG14476,BMG_DG182074,CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)O,c1(cc2c(cc1)C(c3c(cccc3)N(S2(=O)=O)C)NCCCCCCC(O)=O)Cl,"InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)",JICJBGPOMZQUBB-UHFFFAOYSA-N
BMGC_DG14477,BMG_DG182075,,c1c(c(Cl)cc(c1)C2c3c(CN(C2)C)cc(cc3)OC)Cl,,ZJDCGVDEEHWEIG-UHFFFAOYSA-N
BMGC_DG14478,BMG_DG182079,C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(=O)O7)C,[C@]12([C@@]3([C@]([H])([C@@]4([C@@]1(CC[C@@]5([C@@]6(C(=CC(CC6)=O)[C@]7([C@@]([C@@]45[H])(C7)[H])[H])C)[H])C)[H])C3)[H])OC(=O)CC2,"InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1",METQSPRSQINEEU-HXCATZOESA-N
BMGC_DG14479,BMG_DG182081,CCN(CC)CCC1=C(C2=C(C(=C(C=C2)OCC(=O)OCC)Cl)OC1=O)C,c1(c2ccc(c(c2oc(=O)c1CCN(CC)CC)Cl)OCC(=O)OCC)C,"InChI=1S/C20H26ClNO5/c1-5-22(6-2)11-10-15-13(4)14-8-9-16(26-12-17(23)25-7-3)18(21)19(14)27-20(15)24/h8-9H,5-7,10-12H2,1-4H3",GYNNRVJJLAVVTQ-UHFFFAOYSA-N
BMGC_DG14480,BMG_DG182085,,c1cc(c(cc1-c2cc(=O)c3ccc(c(c3o2)O)O)O)O,,ARYCMKPCDNHQCL-UHFFFAOYSA-N
BMGC_DG14481,BMG_DG182094,C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3,c1ccc(cc1)[C@@H]2CC(=O)c3ccc(cc3O2)O,"InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2/t14-/m0/s1",SWAJPHCXKPCPQZ-AWEZNQCLSA-N
BMGC_DG14482,BMG_DG182096,,,,
BMGC_DG14483,BMG_DG182100,CC(C)(C)C(=O)NCCCC(=O)O,C(C(NCCCC(O)=O)=O)(C)(C)C,"InChI=1S/C9H17NO3/c1-9(2,3)8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)",SRPNQDXRVRCTNK-UHFFFAOYSA-N
BMGC_DG14484,BMG_DG182127,C1=CC(=C(C=C1/C=C/C(=O)O)O)O,C(/C=C/c1cc(c(O)cc1)O)(=O)O,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",QAIPRVGONGVQAS-DUXPYHPUSA-N
BMGC_DG14485,BMG_DG182133,,c1cc(c(cc1/C=C/C(OC)=O)O)O,,OCNYGKNIVPVPPX-HWKANZROSA-N
BMGC_DG14486,BMG_DG182136,CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2OC(F)F)C(=O)OC,c1cc(c(OC(F)F)cc1)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC,"InChI=1S/C18H19F2NO5/c1-9-13(16(22)24-3)15(14(10(2)21-9)17(23)25-4)11-7-5-6-8-12(11)26-18(19)20/h5-8,15,18,21H,1-4H3",AZVFIZVKGSPGPK-UHFFFAOYSA-N
BMGC_DG14487,BMG_DG182144,C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C,O1[C@@H]([C@@H]([C@@]2(CC[C@@H](C)[C@@]3(CC[C@@]4(O[C@@]1([C@@]32OO4)[H])C)[H])[H])C)OC,"InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1",SXYIRMFQILZOAM-HVNFFKDJSA-N
BMGC_DG14488,BMG_DG182151,,C(=N/N=C/c1cc(OC)ccc1)\c2cc(OC)ccc2,,FBNPHFBYHYNMHC-JYFOCSDGSA-N
BMGC_DG14489,BMG_DG182153,,c1ccn(-c2c(cc(Cc3c(nc(nc3)N)N)cc2OCC)OCC)c1,,NMARPFMJVCXSAV-UHFFFAOYSA-N
BMGC_DG14490,BMG_DG182159,CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)COC(=O)C,C(COC(C)=O)(=O)[C@]1(CC[C@]2([C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@]3([C@H](C[C@@]21C)O)[H])[H])OC(=O)CC,"InChI=1S/C26H36O7/c1-5-22(31)33-26(21(30)14-32-15(2)27)11-9-19-18-7-6-16-12-17(28)8-10-24(16,3)23(18)20(29)13-25(19,26)4/h12,18-20,23,29H,5-11,13-14H2,1-4H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",MFBMYAOAMQLLPK-FZNHGJLXSA-N
BMGC_DG14491,BMG_DG182164,,O(C)c1cc(c2ncccc2c1)NCCCC(N)C,,NBAFIBBHADOTMU-UHFFFAOYSA-N
BMGC_DG14492,BMG_DG182166,C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O,C1[C@@H]([C@@H]([C@]2(C)[C@@]1([C@]3([C@](CC2)(c4c(CC3)cc(cc4)O)[H])[H])[H])O)O,"InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17+,18+/m1/s1",PROQIPRRNZUXQM-ZMSHIADSSA-N
BMGC_DG14493,BMG_DG182170,CC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N,Nc1ccc(cc1)S(Nc2ncc(cn2)C)(=O)=O,"InChI=1S/C11H12N4O2S/c1-8-6-13-11(14-7-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",DZQVFHSCSRACSX-UHFFFAOYSA-N
BMGC_DG14494,BMG_DG182178,,c1c(cc([S+](c2c(c(cc(c2)Cl)Cl)O)[O-])c(c1Cl)O)Cl,,RPAJWWXZIQJVJF-UHFFFAOYSA-N
BMGC_DG14495,BMG_DG182182,C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)F,C1(C(C(=O)c2c1cccc2)c3ccc(cc3)F)=O,"InChI=1S/C15H9FO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H",NASXCEITKQITLD-UHFFFAOYSA-N
BMGC_DG14496,BMG_DG182188,,C1C(C(Cl)=C2CC[C@]3([C@]4([C@](CC[C@@]3([C@]2(C1)C)[H])([C@H](CC4)O)C)[H])[H])=O,,KCZCIYZKSLLNNH-FBPKJDBXSA-N
BMGC_DG14497,BMG_DG182192,,c1(c(Cc2ccccc2)cccc1)OCCN(CC)CC,,BPXIOWINQPQVOY-UHFFFAOYSA-N
BMGC_DG14498,BMG_DG182193,,Oc1c(OC)cc(C(O)CNC(C)C)cc1,,XXCCGRRUBBGZRE-UHFFFAOYSA-N
BMGC_DG14499,BMG_DG182194,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=C(C(=O)CC[C@H]35)O,C1C(CCC1)CCC(O[C@H]2CC[C@]3([C@]4([H])CCC5=C(C(=O)CC[C@@]5([C@]4(CC[C@@]32C)[H])[H])O)[H])=O,"InChI=1S/C26H38O4/c1-26-15-14-18-17-9-11-22(27)25(29)20(17)8-7-19(18)21(26)10-12-23(26)30-24(28)13-6-16-4-2-3-5-16/h16-19,21,23,29H,2-15H2,1H3/t17-,18-,19-,21+,23+,26+/m1/s1",KHKDIUPVDIEHAH-KXLSUQFWSA-N
BMGC_DG14500,BMG_DG182195,C1=CC=C(C=C1)C2C(=O)C3=C(C2=O)C=C(C=C3)Br,C1(C(c2ccccc2)C(=O)c3c1ccc(c3)Br)=O,"InChI=1S/C15H9BrO2/c16-10-6-7-11-12(8-10)15(18)13(14(11)17)9-4-2-1-3-5-9/h1-8,13H",QFLZIWVSQDZLNW-UHFFFAOYSA-N
BMGC_DG14501,BMG_DG182200,,n1cnc(N)cc1,,OYRRZWATULMEPF-UHFFFAOYSA-N
BMGC_DG14502,BMG_DG182223,,SC(=S)S,,HIZCIEIDIFGZSS-UHFFFAOYSA-N
BMGC_DG14503,BMG_DG182224,,c1(c(cnc2ccc(cc21)Br)C(=O)OCC)O,,IVZIOBTVAJBBAS-UHFFFAOYSA-N
BMGC_DG14504,BMG_DG182233,,O=C(C(c1ccccc1)(c2ccccc2)c3ccccc3)O,,DCYGAPKNVCQNOE-UHFFFAOYSA-N
BMGC_DG14505,BMG_DG182266,,O=C(N)CN,,BEBCJVAWIBVWNZ-UHFFFAOYSA-N
BMGC_DG14506,BMG_DG182275,,O=S(=O)(NO)c1ccccc1,,BRMDATNYMUMZLN-UHFFFAOYSA-N
BMGC_DG14507,BMG_DG182284,C1=CC=NC(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O,C(c1ccc(O)cc1)(c2ccc(O)cc2)c3ncccc3,"InChI=1S/C18H15NO2/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(21)11-7-14/h1-12,18,20-21H",LJROKJGQSPMTKB-UHFFFAOYSA-N
BMGC_DG14508,BMG_DG182319,C1=CC=C(C=C1)C#CC2=CC(=CN=C2)[C@@H]3[C@H](OC(=O)N3)C4=CC=CC=C4Cl,c1ccc(Cl)c([C@H]2OC(=O)N[C@@H]2c3cc(cnc3)C#Cc4ccccc4)c1,"InChI=1S/C22H15ClN2O2/c23-19-9-5-4-8-18(19)21-20(25-22(26)27-21)17-12-16(13-24-14-17)11-10-15-6-2-1-3-7-15/h1-9,12-14,20-21H,(H,25,26)/t20-,21-/m1/s1",IAYVUQJOKDFLAL-NHCUHLMSSA-N
BMGC_DG14509,BMG_DG182323,CC1=CC(=O)NC2=CC=CC=C12,,"InChI=1S/C10H9NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)",APLVPBUBDFWWAD-UHFFFAOYSA-N
BMGC_DG14510,BMG_DG182329,CC1=NN(C=C1NC2=NC=C(C(=N2)NC)C(F)(F)F)C(C)(C)C#N,N(c1cn(nc1C)C(C#N)(C)C)c2nc(NC)c(cn2)C(F)(F)F,"InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)",ZPPUMAMZIMPJGP-UHFFFAOYSA-N
BMGC_DG14511,BMG_DG182362,C([C@H](C([C@H](CO)O)O)O)O,[C@H]([C@H](O)CO)([C@@H](O)CO)O;[C@@H](O)(CO)[C@@H](O)[C@H](CO)O,"InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?",HEBKCHPVOIAQTA-SCDXWVJYSA-N;HEBKCHPVOIAQTA-NGQZWQHPSA-N;HEBKCHPVOIAQTA-ZXFHETKHSA-N
BMGC_DG14512,BMG_DG182371,CCCCCCCCCCCC(=O)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)(O)O)OCC[C@@H](CCCCCCC)OC)NC(=O)CCCCCCCCC/C=C\CCCCCC)O)OCCCCCCCCCC,C(=C\CCCCCCCCCC(N[C@H]1[C@H](OC[C@H]2O[C@@H]([C@H](NC(CC(=O)CCCCCCCCCCC)=O)[C@@H](OCCCCCCCCCC)[C@@H]2O)OP(O)(O)=O)O[C@H](COC)[C@@H](OP(O)(O)=O)[C@@H]1OCC[C@H](OC)CCCCCCC)=O)\CCCCCC,"InChI=1S/C66H126N2O19P2/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78)/b26-25-/t54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1",BPSMYQFMCXXNPC-MFCPCZTFSA-N
BMGC_DG14513,BMG_DG182397,,OC(=O)CC[C@H](NC(CCCCCCC/C=C\CCCCCCCC)=O)C(=O)O,,UUFVSGRELDGPGL-QJRAZLAKSA-N
BMGC_DG14514,BMG_DG182400,C[C@@](/C=C/[C@H]1CC=CC(=O)O1)([C@@H](C[C@H](/C=C\C=C/C=C/CO)O)OP(=O)(O)O)O,P(O[C@@H]([C@@](/C=C/[C@@H]1OC(C=CC1)=O)(O)C)C[C@H](\C=C/C=C\C=C\CO)O)(O)(=O)O,"InChI=1S/C19H27O9P/c1-19(23,12-11-16-9-7-10-18(22)27-16)17(28-29(24,25)26)14-15(21)8-5-3-2-4-6-13-20/h2-8,10-12,15-17,20-21,23H,9,13-14H2,1H3,(H2,24,25,26)/b3-2-,6-4+,8-5-,12-11+/t15-,16+,17+,19+/m0/s1",ZMQRJWIYMXZORG-DSWNLJKISA-N
BMGC_DG14515,BMG_DG182404,C1=CC=C2C(=C1)C(=O)C=CN2,c1ccc2c(c1)c(cc[nH]2)=O,"InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)",PMZDQRJGMBOQBF-UHFFFAOYSA-N
BMGC_DG14516,BMG_DG182409,C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-],C1(NC(=O)CN1/N=C/c2oc(-c3ccc([N+]([O-])=O)cc3)cc2)=O,"InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+",OZOMQRBLCMDCEG-VIZOYTHASA-N
BMGC_DG14517,BMG_DG182423,,,,
BMGC_DG14518,BMG_DG182424,,,,
BMGC_DG14519,BMG_DG182425,,,,
BMGC_DG14520,BMG_DG182428,C1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)O)O)[N+](=O)[O-],,"InChI=1S/C13H9NO5/c15-10-7-6-9(11(13(10)17)14(18)19)12(16)8-4-2-1-3-5-8/h1-7,15,17H",ICLKAUQIPVFHOI-UHFFFAOYSA-N
BMGC_DG14521,BMG_DG182429,,c1ccc(cc1)C(=O)c2ccc(cc2)OC,,SWFHGTMLYIBPPA-UHFFFAOYSA-N
BMGC_DG14522,BMG_DG182432,,,,
BMGC_DG14523,BMG_DG182433,,,,
BMGC_DG14524,BMG_DG182434,,,,
BMGC_DG14525,BMG_DG182435,,,,
BMGC_DG14526,BMG_DG182436,,,,
BMGC_DG14527,BMG_DG182437,C1CN(C[C@@H]1O)CC2=CC=CC=C2C3=CC=C(C=C3)N4CCC5=C(C4=O)N(N=C5C(F)(F)F)C6=CC7=C(C=C6)ON=C7N,C1(c2c(CCN1c3ccc(cc3)-c4c(cccc4)CN5C[C@@H](CC5)O)c(nn2-c6cc7c(noc7cc6)N)C(F)(F)F)=O,"InChI=1S/C31H27F3N6O3/c32-31(33,34)28-24-12-14-39(30(42)27(24)40(36-28)21-9-10-26-25(15-21)29(35)37-43-26)20-7-5-18(6-8-20)23-4-2-1-3-19(23)16-38-13-11-22(41)17-38/h1-10,15,22,41H,11-14,16-17H2,(H2,35,37)/t22-/m1/s1",DFRIQJHMGZBFOM-JOCHJYFZSA-N
BMGC_DG14528,BMG_DG182438,,,,
BMGC_DG14529,BMG_DG182439,,,,
BMGC_DG14530,BMG_DG182440,,,,
BMGC_DG14531,BMG_DG182441,,,,
BMGC_DG14532,BMG_DG182442,,,,
BMGC_DG14533,BMG_DG182443,,,,
BMGC_DG14534,BMG_DG182444,,,,
BMGC_DG14535,BMG_DG182445,,,,
BMGC_DG14536,BMG_DG182448,C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3,C(N1CCC(CC1)CCCCNC(/C=C/c2cnccc2)=O)(=O)c3ccccc3,"InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+",KPBNHDGDUADAGP-VAWYXSNFSA-N
BMGC_DG14537,BMG_DG182449,,,,
BMGC_DG14538,BMG_DG182450,,,,
BMGC_DG14539,BMG_DG182451,,,,
BMGC_DG14540,BMG_DG182453,C1=CC=C2C(=C1)C(=C(N=C2Cl)C(=O)NCC(=O)O)O,O=C(O)CNC(c1c(O)c2ccccc2c(Cl)n1)=O,"InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)",OUQVKRKGTAUJQA-UHFFFAOYSA-N
BMGC_DG14541,BMG_DG182454,,c1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1,,IFQUPKAISSPFTE-UHFFFAOYSA-N
BMGC_DG14542,BMG_DG182471,CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,[C@@H]1([C@@H]([C@H](C[C@H](O1)C)N(C)C)O)O[C@]2([C@](C)(O)C[C@@H](C)/C(/[C@@H]([C@H]([C@]([C@@H](CC)OC([C@@H]([C@@]([C@@H]2C)([H])O[C@@H]3O[C@H]([C@@H]([C@](C)(OC)C3)O)C)C)=O)(C)O)O)C)=N\OCOCCOC)[H],"InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1",RXZBMPWDPOLZGW-XMRMVWPWSA-N
BMGC_DG14543,BMG_DG182473,C[C@H](CC#CC(C)(C)O)[C@H]1CC[C@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C,[C@]12([C@@](/C(=C/C=C\3/C[C@H](C[C@@H](C3)O)O)/CCC1)(CC[C@@]2([C@@H](CC#CC(O)(C)C)C)[H])[H])C,"InChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24-,26-/m1/s1",HHGRMHMXKPQNGF-WNSNRMDMSA-N
BMGC_DG14544,BMG_DG182474,,,,
BMGC_DG14545,BMG_DG182479,C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)SC1)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(=O)O)C=C)[H])NC(\C(\c3nc(N)sc3)=N/O)=O,"InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1",RTXOFQZKPXMALH-GHXIOONMSA-N
BMGC_DG14546,BMG_DG182482,CN1C2=C(NC(=O)NC2=O)NC1=O,[nH]1c(=O)[nH]c2[nH]c(=O)n(c2c1=O)C,"InChI=1S/C6H6N4O3/c1-10-2-3(8-6(10)13)7-5(12)9-4(2)11/h1H3,(H3,7,8,9,11,12,13)",YHNNPKUFPWLTOP-UHFFFAOYSA-N
BMGC_DG14547,BMG_DG182495,C1CC[C@]2([C@@H]3CC4=C([C@@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O,,"InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21+/m0/s1",IFKLAQQSCNILHL-PWRODBHTSA-N
BMGC_DG14548,BMG_DG182498,,,,
BMGC_DG14549,BMG_DG182513,C=CN1CCCC1=O,N1(C(=O)CCC1)C=C,"InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2",WHNWPMSKXPGLAX-UHFFFAOYSA-N
BMGC_DG14550,BMG_DG182525,,S(c1cc(C(=O)O)c(cc1Cl)NCc2occc2)(Nc3ccccc3)(=O)=O,,ADGDDISMOKXBCG-UHFFFAOYSA-N
BMGC_DG14551,BMG_DG182527,CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)N4C)C)C,,"InChI=1S/C24H40N2O2/c1-6-26(7-2)22(28)19-10-9-17-16-8-11-20-24(4,15-13-21(27)25(20)5)18(16)12-14-23(17,19)3/h16-20H,6-15H2,1-5H3/t16-,17-,18-,19+,20+,23-,24+/m0/s1",GNWBLLYJQXKPIP-ZOGIJGBBSA-N
BMGC_DG14552,BMG_DG182528,CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)OC)C,[C@]1(O[C@@H]1CC=C(C)C)([C@@]2([C@]3(OC3)CC[C@H]([C@H]2OC)OC(/C=C/C=C/C=C/C=C/C(=O)O)=O)[H])C,"InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1",NGGMYCMLYOUNGM-CSDLUJIJSA-N
BMGC_DG14553,BMG_DG182543,CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F,c1(C(N[C@H]2[C@H](CN(CC2)CCCOc3ccc(cc3)F)OC)=O)c(cc(c(c1)Cl)N)OC,"InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m1/s1",DCSUBABJRXZOMT-IRLDBZIGSA-N
BMGC_DG14554,BMG_DG182545,,[C@H](Cc1ccccc1)(C(N[C@H](CC(C)C)C(O)=O)=O)NC(CNC([C@H](NC([C@H](Cc2ccc(cc2)O)N)=O)C)=O)=O,,ZHUJMSMQIPIPTF-IBURTVSXSA-N
BMGC_DG14555,BMG_DG182550,CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(C(C1)=C)[H])(CCC(=O)C4)[H])[H])(CC[C@]2(C#C)O)[H])CC,"InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1",GCKFUYQCUCGESZ-BPIQYHPVSA-N
BMGC_DG14556,BMG_DG182576,CCN(CC)C(=O)[C@]1(C[C@H]1CN)C2=CC=CC=C2.Cl,NC[C@H]1[C@@](c2ccccc2)(C(N(CC)CC)=O)C1.Cl,"InChI=1S/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15+;/m0./s1",XNCDYJFPRPDERF-NQQJLSKUSA-N
BMGC_DG14557,BMG_DG182577,CCN(CC)C(=O)[C@]1(C[C@H]1CN)C2=CC=CC=C2,NC[C@H]1[C@@](c2ccccc2)(C(N(CC)CC)=O)C1,"InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1",GJJFMKBJSRMPLA-DZGCQCFKSA-N
BMGC_DG14558,BMG_DG182592,C1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N,n1(c2c(c(nc(n2)Nc3ccccc3)N)nc1)[C@H]4[C@@H]([C@H](O)[C@H](O4)CO)O,"InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11-,12-,15-/m1/s1",SCNILGOVBBRMBK-SDBHATRESA-N
BMGC_DG14559,BMG_DG182616,C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C,[C@@]123[C@@]4(O[C@H]([C@@H]([C@@]1(CC[C@H]([C@@]2(CC[C@](OO3)(C)O4)[H])C)[H])C)OC(=O)CCC(=O)O)[H],"InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1",FIHJKUPKCHIPAT-AHIGJZGOSA-N
BMGC_DG14560,BMG_DG182618,CC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C,[C@@]12([H])[C@](O1)([H])[C@@H]3C[C@H](OC(=O)[C@@H](c4ccccc4)CO)C[C@H]2[N+]3(C)CC,"InChI=1S/C19H26NO4/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12/h4-8,13-18,21H,3,9-11H2,1-2H3/q+1/t13?,14-,15-,16+,17-,18+,20?/m1/s1",NVOYVOBDTVTBDX-PMEUIYRNSA-N;NVOYVOBDTVTBDX-AGUVMIOSSA-N
BMGC_DG14561,BMG_DG182636,CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@H]1[C@H](C=CC(=O)O1)C,O1[C@@H](/C=C/C(/CC)=C\[C@@H](C/C=C/C(/C)=C/[C@@H](C)C([C@H]([C@@H]([C@H](C/C(=C/C(=O)O)/C)C)O)C)=O)C)[C@H](C=CC1=O)C,"InChI=1S/C33H48O6/c1-9-28(14-15-29-24(5)13-16-31(36)39-29)19-22(3)12-10-11-21(2)17-25(6)32(37)27(8)33(38)26(7)18-23(4)20-30(34)35/h10-11,13-17,19-20,22,24-27,29,33,38H,9,12,18H2,1-8H3,(H,34,35)/b11-10+,15-14+,21-17+,23-20+,28-19-/t22-,24+,25-,26+,27-,29+,33-/m1/s1",YACHGFWEQXFSBS-XYERBDPFSA-N
BMGC_DG14562,BMG_DG182637,CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,n1c(c2nc(CC(c3ccc(C(N[C@H](C(=O)O)CCC(=O)O)=O)cc3)CC)cnc2nc1N)N,"InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11?,15-/m0/s1",FSIRXIHZBIXHKT-MHTVFEQDSA-N
BMGC_DG14563,BMG_DG182646,CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C3=CC=CC(=C3O2)CCCC(=O)O)O)O,[C@H]1([C@]2(c3c(O[C@]2(C[C@H]1O)[H])c(ccc3)CCCC(O)=O)[H])/C=C/[C@@H](O)C(CC#CC)C,"InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15?,17-,19+,20+,21-,23-/m0/s1",CTPOHARTNNSRSR-APJZLKAGSA-N
BMGC_DG14564,BMG_DG182655,COC1=C(C=C2[C@@H]3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)O,Oc1c(OC)cc2c([C@]3([H])Cc4ccc(O)c(OC)c4CN3CC2)c1,"InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",JKPISQIIWUONPB-HNNXBMFYSA-N
BMGC_DG14565,BMG_DG182659,CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)O)O)O)C,[H][C@@]1([C@@](O[C@@H]2O[C@H](CO[C@@]3([H])[C@H](O)[C@@H](O)[C@@H](O)CO3)[C@@H](O)[C@H](O)[C@H]2O)(CCC=C(C)C)C)[C@]4([C@@H](C[C@]5([C@@]([C@]4(C)CC1)(C)CC[C@@]6([C@@]5(CC[C@@H](C6(C)C)O[C@@]7([H])[C@H](O[C@@]8([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)[C@@H](O)[C@H](O)[C@@H](CO)O7)C)[H])[H])O)[H],"InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1",NODILNFGTFIURN-GZPRDHCNSA-N
BMGC_DG14566,BMG_DG182671,,c1(C(O)=O)ccsc1,,YNVOMSDITJMNET-UHFFFAOYSA-N
BMGC_DG14567,BMG_DG182676,C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)N)O.CC(=O)O,,"InChI=1S/C54H69N11O10S2.C2H4O2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55;1-2(3)4/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74);1H3,(H,3,4)/t30-,38-,40+,41+,42-,43+,44+,45+,46+;/m1./s1",DEXPIBGCLCPUHE-UISHROKMSA-N
BMGC_DG14568,BMG_DG182677,C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)N)O,,"InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42-,43+,44+,45+,46+/m1/s1",PUDHBTGHUJUUFI-SCTWWAJVSA-N
BMGC_DG14569,BMG_DG182682,CC(C)[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N,C(=O)(N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]3CSSC[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@H](C(N3)=O)C(C)C)=O)CCCCN)=O)Cc4c[nH]c5ccccc45)=O)Cc6ccc(O)cc6)=O)NC(=O)[C@H](N)Cc7ccccc7,"InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)/t40-,43+,44+,45+,46-,47+,48+,49+/m1/s1",SWXOGPJRIDTIRL-DOUNNPEJSA-N
BMGC_DG14570,BMG_DG182691,C1=C(NC=N1)C[C@@H](C(=O)[O-])N=C(CCN)[O-].[Zn+2],n1c[nH]c(c1)C[C@@H](C(=O)[O-])[N-]C(CCN)=O.[Zn+2],"InChI=1S/C9H14N4O3.Zn/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6;/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16);/q;+2/p-2/t7-;/m0./s1",XZWGNMZIFNOUGW-FJXQXJEOSA-L;IGXZLYMCFZHNKW-FJXQXJEOSA-L
BMGC_DG14571,BMG_DG182702,C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OP(=O)(O)O)OC)O)O,[C@]12([C@@H](c3cc4OCOc4cc3[C@H]([C@]1(C(=O)OC2)[H])c5cc(OC)c(c(c5)OC)OP(=O)(O)O)O[C@]6([C@@H]([C@@H](O)[C@]7([C@](O6)(CO[C@@H](C)O7)[H])[H])O)[H])[H],"InChI=1S/C29H33O16P/c1-11-38-9-20-27(42-11)23(30)24(31)29(43-20)44-25-14-7-17-16(40-10-41-17)6-13(14)21(22-15(25)8-39-28(22)32)12-4-18(36-2)26(19(5-12)37-3)45-46(33,34)35/h4-7,11,15,20-25,27,29-31H,8-10H2,1-3H3,(H2,33,34,35)/t11-,15+,20-,21-,22+,23-,24-,25-,27-,29+/m1/s1",LIQODXNTTZAGID-OCBXBXKTSA-N
BMGC_DG14572,BMG_DG182705,CC1=C([C@H](C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC,c1ccc(cc1)C2(CCN(CC2)CCCOC(=O)C3=C(C)NC(C)=C(C(OC)=O)[C@H]3c4cccc(c4)[N+](=O)[O-])c5ccccc5,"InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m1/s1",SVJMLYUFVDMUHP-MGBGTMOVSA-N
BMGC_DG14573,BMG_DG182711,CC1=NC=CN1C[C@H]2CCC3=C(C2=O)C4=CC=CC5=C4N3CCC5,c12c(n3CCCc4c3c1ccc4)CC[C@@H](C2=O)Cn5c(ncc5)C,"InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1",NCNFDKWULDWJDS-OAHLLOKOSA-N
BMGC_DG14574,BMG_DG182720,CCCCC[C@@H](CC[C@H]1[C@@H](C[C@H]2[C@@H]1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)O,[C@]12([C@@](Cc3c(C1)cccc3OCC(=O)O)(C[C@H]([C@@H]2CC[C@@H](O)CCCCC)O)[H])[H],"InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1",PAJMKGZZBBTTOY-ZFORQUDYSA-N
BMGC_DG14575,BMG_DG182721,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@H]([C@@H](C3=C)O)OCCCO)O)C,[C@@H]1([C@H]([C@@H](C(\C(\C1)=C/C=C\2/[C@@]3(CC[C@]([C@@H](CCCC(C)(C)O)C)([C@@]3(C)CCC2)[H])[H])=C)O)OCCCO)O,"InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28-,30-/m1/s1",FZEXGDDBXLBRTD-AYIMTCTASA-N
BMGC_DG14576,BMG_DG182723,C1CC2=C(C=CC(=C2)CC3C(=O)NC(=O)S3)O[C@H]1CC4=CC=CC=C4,N1C(SC(C1=O)Cc2cc3CC[C@@H](Oc3cc2)Cc4ccccc4)=O,"InChI=1S/C20H19NO3S/c22-19-18(25-20(23)21-19)12-14-6-9-17-15(10-14)7-8-16(24-17)11-13-4-2-1-3-5-13/h1-6,9-10,16,18H,7-8,11-12H2,(H,21,22,23)/t16-,18?/m1/s1",MVDXXGIBARMXSA-PYUWXLGESA-N
BMGC_DG14577,BMG_DG182726,CC(C)C(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)O[C@H](O2)C6CCCCC6,[C@@]12([C@@]3([C@@]([C@]4([C@]([C@@]5(C(=CC(C=C5)=O)CC4)C)([H])[C@H](C3)O)[H])([H])C[C@H]1O[C@H](O2)C6CCCCC6)C)C(COC(=O)C(C)C)=O,"InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29+,30-,31-,32+/m0/s1",LUKZNWIVRBCLON-GXOBDPJESA-N
BMGC_DG14578,BMG_DG182734,CC(=O)O.C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)[C@H]3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CS5)NC(=O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H]7CCCN7C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,N1(C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)N)C[C@H](O)C[C@]1(C(=O)NCC(N[C@@H](Cc3sccc3)C(=O)N[C@@H](CO)C(N4[C@@](Cc5c(C4)cccc5)([H])C(=O)N6[C@@](C(=O)N[C@@H](CCCNC(=N)N)C(O)=O)([H])C[C@@]7(CCCC[C@@]76[H])[H])=O)=O)[H].CC(=O)O,"InChI=1S/C59H89N19O13S.C2H4O2/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66;1-2(3)4/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69);1H3,(H,3,4)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+;/m0./s1",HKMZRZUEADSZDQ-DZJWSCHMSA-N
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BMGC_DG14581,BMG_DG182740,C(C1=C(SC(=C1C#N)N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Sr+2].[Sr+2],N(CC(=O)[O-])(c1c(C#N)c(CC([O-])=O)c(C([O-])=O)s1)CC(=O)[O-].[Sr+2].[Sr+2],"InChI=1S/C12H10N2O8S.2Sr/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20;;/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22);;/q;2*+2/p-4",XXUZFRDUEGQHOV-UHFFFAOYSA-J
BMGC_DG14582,BMG_DG182744,CN1C2=C(C=CC(=C2)[C@H](C3=CC=C(C=C3)Cl)N4C=NC=N4)N=N1,n1nc2ccc(cc2n1C)[C@@H](n3ncnc3)c4ccc(cc4)Cl,"InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3/t16-/m0/s1",XLMPPFTZALNBFS-INIZCTEOSA-N
BMGC_DG14583,BMG_DG182745,CC1=[NH+]C=C(C(=C1O)CN(CCN(CC2=C(C(=[NH+]C=C2COP(=O)([O-])[O-])C)O)CC(=O)[O-])CC(=O)[O-])COP(=O)(O)[O-].[Na+].[Na+].[Na+].[Mn],,"InChI=1S/C22H32N4O14P2.Mn.3Na/c1-13-21(31)17(15(5-23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-18-16(12-40-42(36,37)38)6-24-14(2)22(18)32;;;;/h5-6,31-32H,3-4,7-12H2,1-2H3,(H,27,28)(H,29,30)(H2,33,34,35)(H2,36,37,38);;;;/q;;3*+1/p-3",NBHBBGSKOXRZSD-UHFFFAOYSA-K
BMGC_DG14584,BMG_DG182746,CC1=CC2=C(N=C(N=C2S1)N3CCNCC3)C4=CC=CC=C4F.O.Cl,c1(nc2c(c(n1)-c3c(cccc3)F)cc(s2)C)N4CCNCC4.Cl.O,"InChI=1S/C17H17FN4S.ClH.H2O/c1-11-10-13-15(12-4-2-3-5-14(12)18)20-17(21-16(13)23-11)22-8-6-19-7-9-22;;/h2-5,10,19H,6-9H2,1H3;1H;1H2",SAURKKOJWIFYSR-UHFFFAOYSA-N
BMGC_DG14585,BMG_DG182750,CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=CC=C(C=C1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-])CC(=O)O.[Gd+3],,"InChI=1S/C22H31N3O11.2C7H17NO5.Gd/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1",OCDAWJYGVOLXGZ-VPVMAENOSA-K
BMGC_DG14586,BMG_DG182755,CC1=C(OC(=O)O1)COC(=O)C2=C(S[C@H]3N2C(=O)[C@@H]3[C@@H](C)O)[C@H]4CCCO4,N12C(=C([C@@H]3OCCC3)S[C@]1([H])[C@](C2=O)([C@H](O)C)[H])C(OCc4oc(=O)oc4C)=O,"InChI=1S/C17H19NO8S/c1-7(19)11-14(20)18-12(13(27-15(11)18)9-4-3-5-23-9)16(21)24-6-10-8(2)25-17(22)26-10/h7,9,11,15,19H,3-6H2,1-2H3/t7-,9-,11+,15-/m1/s1",JQBKWZPHJOEQAO-DVPVEWDBSA-N
BMGC_DG14587,BMG_DG182769,C[C@H](C(=O)N[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCCN)C(=O)N)N,N[C@@H](C(=O)N[C@@H](C(N[C@H](C(=O)N[C@H](C(N[C@@H](C(=O)N[C@H](C(=O)N)CCCCN)Cc1ccccc1)=O)Cc2c[nH]c3c2cccc3)C)=O)Cc4cc5c(cc4)cccc5)C,"InChI=1S/C45H55N9O6/c1-27(47)41(56)52-38(24-30-19-20-31-14-6-7-15-32(31)22-30)43(58)50-28(2)42(57)53-39(25-33-26-49-35-17-9-8-16-34(33)35)45(60)54-37(23-29-12-4-3-5-13-29)44(59)51-36(40(48)55)18-10-11-21-46/h3-9,12-17,19-20,22,26-28,36-39,49H,10-11,18,21,23-25,46-47H2,1-2H3,(H2,48,55)(H,50,58)(H,51,59)(H,52,56)(H,53,57)(H,54,60)/t27-,28+,36+,37-,38-,39+/m1/s1",HRNLPPBUBKMZMT-RDRUQFPZSA-N
BMGC_DG14588,BMG_DG182771,C1CN(CCN1CCN2C3=CC=CC=C3NC2=O)C4=CC=CC(=C4)C(F)(F)F,c1(n(c2ccccc2[nH]1)CCN3CCN(CC3)c4cc(C(F)(F)F)ccc4)=O,"InChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28)",PPRRDFIXUUSXRA-UHFFFAOYSA-N
BMGC_DG14589,BMG_DG182781,C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)N)O,c1c(c2c([nH]1)cccc2)C[C@@H]3C(=O)N[C@H](C(=O)N[C@@](C(N[C@](C(N)=O)([C@H](O)C)[H])=O)([H])CSSC[C@](NC([C@H](N)Cc4ccccc4)=O)(C(N[C@@H](Cc5ccc(cc5)O)C(=O)N3)=O)[H])CCCCN,"InChI=1S/C45H58N10O9S2/c1-25(56)38(39(48)58)55-45(64)37-24-66-65-23-36(53-40(59)31(47)19-26-9-3-2-4-10-26)44(63)51-34(20-27-14-16-29(57)17-15-27)42(61)52-35(21-28-22-49-32-12-6-5-11-30(28)32)43(62)50-33(41(60)54-37)13-7-8-18-46/h2-6,9-12,14-17,22,25,31,33-38,49,56-57H,7-8,13,18-21,23-24,46-47H2,1H3,(H2,48,58)(H,50,62)(H,51,63)(H,52,61)(H,53,59)(H,54,60)(H,55,64)/t25-,31-,33+,34+,35-,36+,37+,38+/m1/s1",SNAJPQVDGYDQSW-DYCFWDQMSA-N
BMGC_DG14590,BMG_DG182783,CC[C@@H]1[C@@](C(=O)[C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C(C)C)O)C)C)C)(C)OC,C1[C@]2(OC([C@@H](C([C@]([C@H](OC([C@@H]([C@@]([C@@H]([C@]2(O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C(C)C)O)[H])C)([H])O[C@H]4C[C@]([C@@H](O)[C@H](C)O4)(OC)C)C)=O)CC)(C)OC)=O)C)=C1C)C,"InChI=1S/C40H69NO12/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3/t22-,23+,24+,25-,26+,27+,28-,29+,30-,32+,34+,35-,37+,38-,39-,40-/m1/s1",BELMMAAWNYFCGF-PZXAHSFZSA-N
BMGC_DG14591,BMG_DG182784,CN(C(=O)NCC1=C(C(=CC(=C1)[C@@H]2CC[C@H](O2)C3=CC(=C(C(=C3)OC)OC)OC)OC)OCCSC4=CC=C(C=C4)Cl)O,,"InChI=1S/C31H37ClN2O8S/c1-34(36)31(35)33-18-21-14-19(15-26(37-2)29(21)41-12-13-43-23-8-6-22(32)7-9-23)24-10-11-25(42-24)20-16-27(38-3)30(40-5)28(17-20)39-4/h6-9,14-17,24-25,36H,10-13,18H2,1-5H3,(H,33,35)/t24-,25-/m0/s1",LZVBMKDVEPGGFK-DQEYMECFSA-N
BMGC_DG14592,BMG_DG182788,,[C@@]12([C@@]3([C@@]([C@]4([C@]([C@@]5(C(=CC(C=C5)=O)CC4)C)([H])[C@H](C3)O)[H])([H])C[C@H]1O[C@H](O2)C6CCCCC6)C)C(CO)=O,,OXPLANUPKBHPMS-ZXBNPROVSA-N
BMGC_DG14593,BMG_DG182790,COC1=CC=C(C=C1)C[C@@H](CN[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CS3)NC(=O)CNC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCN=C(N)N)N)O,N1([C@](C(=O)NCC(N[C@H](C(=O)N[C@H](C(N2[C@H](C(N[C@@H](Cc3ccc(cc3)OC)CN[C@H](C(=O)O)CCCNC(N)=N)=O)CCC2)=O)CO)Cc4sccc4)=O)(C[C@@H](O)C1)[H])C([C@H]5N(C([C@@H](N)CCCNC(N)=N)=O)CCC5)=O,"InChI=1S/C49H75N15O12S/c1-76-31-14-12-28(13-15-31)21-29(24-57-34(47(74)75)9-3-17-56-49(53)54)59-43(70)37-10-4-18-62(37)45(72)36(27-65)61-41(68)35(23-32-7-6-20-77-32)60-40(67)25-58-42(69)39-22-30(66)26-64(39)46(73)38-11-5-19-63(38)44(71)33(50)8-2-16-55-48(51)52/h6-7,12-15,20,29-30,33-39,57,65-66H,2-5,8-11,16-19,21-27,50H2,1H3,(H,58,69)(H,59,70)(H,60,67)(H,61,68)(H,74,75)(H4,51,52,55)(H4,53,54,56)/t29-,30+,33-,34-,35-,36-,37-,38-,39-/m0/s1",IDXCXSCCZNCXCL-XMADEQCMSA-N
BMGC_DG14594,BMG_DG182792,C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC,C1([C@@]2(O[C@](C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@@H](C)C([C@@H]([C@@H](/C(=C/[C@H](C(C[C@](OC([C@]3(N(C1=O)CCCC3)[H])=O)([C@@H](C[C@H]4C[C@H]([C@H](OC(C(CO)(CO)C)=O)CC4)OC)C)[H])=O)C)/C)O)OC)=O)C)/C)OC)(CC[C@H]2C)[H])O)=O,"InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1",CBPNZQVSJQDFBE-FUXHJELOSA-N
BMGC_DG14595,BMG_DG182796,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C,[C@]12([C@]([C@@]3(CC[C@]4(NC(=O)C=C[C@@]4([C@]3(CC1)[H])C)[H])[H])(CC[C@@H]2C(Nc5c(C(F)(F)F)ccc(C(F)(F)F)c5)=O)[H])C,"InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1",JWJOTENAMICLJG-QWBYCMEYSA-N
BMGC_DG14596,BMG_DG182797,,[nH]1cncc1C[C@@H](C(N[C@@H](C(N[C@@H](C)C(N[C@H](C(N[C@H](Cc2ccccc2)C(N[C@@H](CCCCN)C(=O)N)=O)=O)Cc3c[nH]c4c3cccc4)=O)=O)Cc5c6ccccc6[nH]c5C)=O)N,,RVWNMGKSNGWLOL-GIIHNPQRSA-N
BMGC_DG14597,BMG_DG182800,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@](C4)(C)O)C)C,[C@]12([C@]([C@]3([C@]([C@@]4([C@@](C[C@@](O)(C)CC4)([H])CC3)C)([H])CC1)[H])(CC[C@@H]2C(=O)C)[H])C,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20+,21-,22+/m0/s1",PGTVWKLGGCQMBR-FLBATMFCSA-N
BMGC_DG14598,BMG_DG182805,C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N.Cl,c1(oc2ccc(N3CCN(CCCCc4c5c(ccc(C#N)c5)[nH]c4)CC3)cc2c1)C(=O)N.Cl,"InChI=1S/C26H27N5O2.ClH/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32;/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32);1H",RPZBRGFNBNQSOP-UHFFFAOYSA-N
BMGC_DG14599,BMG_DG182806,C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N,c1(oc2ccc(N3CCN(CCCCc4c5c(ccc(C#N)c5)[nH]c4)CC3)cc2c1)C(=O)N,"InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)",SGEGOXDYSFKCPT-UHFFFAOYSA-N
BMGC_DG14600,BMG_DG182807,CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)NCCC2=CC=CC=C2)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C,C(N([C@H]([C@@H](CC(N1[C@]([C@@H]([C@H](C(=O)NCCc2ccccc2)C)OC)(CCC1)[H])=O)OC)[C@H](CC)C)C)([C@@H](NC([C@@H](N(C)C)C(C)C)=O)C(C)C)=O,"InChI=1S/C39H67N5O6/c1-13-27(6)35(43(10)39(48)33(25(2)3)41-38(47)34(26(4)5)42(8)9)31(49-11)24-32(45)44-23-17-20-30(44)36(50-12)28(7)37(46)40-22-21-29-18-15-14-16-19-29/h14-16,18-19,25-28,30-31,33-36H,13,17,20-24H2,1-12H3,(H,40,46)(H,41,47)/t27-,28+,30-,31+,33-,34-,35-,36+/m0/s1",DZMVCVHATYROOS-ZBFGKEHZSA-N
BMGC_DG14601,BMG_DG182811,CC(=O)C1=CC2=C(C=C1)OC([C@H]([C@H]2NC(=O)C3=CC(=C(C=C3)F)Cl)O)(C)C,[C@@H]1(c2c(ccc(c2)C(=O)C)OC([C@H]1O)(C)C)NC(c3cc(Cl)c(cc3)F)=O,"InChI=1S/C20H19ClFNO4/c1-10(24)11-5-7-16-13(8-11)17(18(25)20(2,3)27-16)23-19(26)12-4-6-15(22)14(21)9-12/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18-/m0/s1",XLIIRNOPGJTBJD-ROUUACIJSA-N
BMGC_DG14602,BMG_DG182812,CC[C@H](C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CN(C4=CC=CC=C43)OC)CCCCCC(=O)CC,,"InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1",JWOGUUIOCYMBPV-GMFLJSBRSA-N
BMGC_DG14603,BMG_DG182814,COC1=C(C=C(C=C1)N2C(=NN=N2)C(F)(F)F)CN[C@H]3CCCN[C@H]3C4=CC=CC=C4,N1CCC[C@@H]([C@@H]1c2ccccc2)NCc3cc(ccc3OC)-n4c(nnn4)C(F)(F)F,"InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1",XILNRORTJVDYRH-HKUYNNGSSA-N
BMGC_DG14604,BMG_DG182817,C1=CC=C(C=C1)SC[C@@H](CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O,[C@@H](C(=O)O)(CC(c1ccc(cc1)-c2ccc(cc2)Cl)=O)CSc3ccccc3,"InChI=1S/C23H19ClO3S/c24-20-12-10-17(11-13-20)16-6-8-18(9-7-16)22(25)14-19(23(26)27)15-28-21-4-2-1-3-5-21/h1-13,19H,14-15H2,(H,26,27)/t19-/m1/s1",JXAGDPXECXQWBC-LJQANCHMSA-N
BMGC_DG14605,BMG_DG182818,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OS(=O)(=O)N,[C@]12([C@]([C@@]3(CCc4c([C@]3(CC1)[H])ccc(OS(=O)(=O)N)c4)[H])(CC[C@@H]2O)[H])C,"InChI=1S/C18H25NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,20H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,17+,18+/m1/s1",YXYXCSOJKUAPJI-ZBRFXRBCSA-N
BMGC_DG14606,BMG_DG182825,,,,
BMGC_DG14607,BMG_DG182827,CCCCCCCC/C=C\CCCCCCCC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4=O)C,[C@]12(CCc3c([C@]1(CC[C@]4([C@]2(CCC4=O)[H])C)[H])ccc(c3)OC(=O)CCCCCCC/C=C\CCCCCCCC)[H],"InChI=1S/C36H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(38)39-29-20-22-30-28(27-29)19-21-32-31(30)25-26-36(2)33(32)23-24-34(36)37/h10-11,20,22,27,31-33H,3-9,12-19,21,23-26H2,1-2H3/b11-10-/t31-,32-,33+,36+/m1/s1",IMIPDPVHGGHVNH-YWVHRCQQSA-N
BMGC_DG14608,BMG_DG182832,,N(c1nc2n(cnc2c(n1)NCc3ccc(cc3)OC)C(C)C)(CCO)CCO,,NQVIIUBWMBHLOZ-UHFFFAOYSA-N
BMGC_DG14609,BMG_DG182834,C1CC2=CC=CC=C2O[C@H]1CNCC3=CC(=CN=C3)C4=CC=C(C=C4)F,O1c2c(cccc2)CC[C@@H]1CNCc3cc(-c4ccc(cc4)F)cnc3,"InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1",HKFMQJUJWSFOLY-OAQYLSRUSA-N
BMGC_DG14610,BMG_DG182839,C[C@H](C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)O,c12c([nH]c(c1)-c3ccc(cc3)O)ncnc2N[C@@H](c4ccccc4)C,"InChI=1S/C20H18N4O/c1-13(14-5-3-2-4-6-14)23-19-17-11-18(24-20(17)22-12-21-19)15-7-9-16(25)10-8-15/h2-13,25H,1H3,(H2,21,22,23,24)/t13-/m1/s1",XRYJULCDUUATMC-CYBMUJFWSA-N
BMGC_DG14611,BMG_DG182845,,N1(CCC(CC1)(O)Cc2ccc(cc2)C)CCOc3ccc(cc3)O,,VKMFDKYCIKEDMR-UHFFFAOYSA-N
BMGC_DG14612,BMG_DG182847,CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@]5(C2(C)C)[C@H]([C@@H]1OC(=O)[C@@H]([C@H](CC(C)C)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C,[C@@]123C(C([C@H](C(=O)[C@]4([C@@]([C@]5([C@@H](C[C@@H]4O)OC5)OC(=O)C)([C@@H]1OC(=O)c6ccccc6)[H])C)OC(=O)C)=C([C@H]([C@@H]2OC(O3)=O)OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)CC(C)C)O)=O)C)(C)C,"InChI=1S/C44H57NO17/c1-20(2)17-25(45-38(53)61-40(6,7)8)29(49)37(52)57-30-21(3)28-31(56-22(4)46)33(50)42(11)26(48)18-27-43(19-55-27,60-23(5)47)32(42)35(58-36(51)24-15-13-12-14-16-24)44(41(28,9)10)34(30)59-39(54)62-44/h12-16,20,25-27,29-32,34-35,48-49H,17-19H2,1-11H3,(H,45,53)/t25-,26-,27+,29+,30+,31+,32-,34-,35-,42+,43-,44+/m0/s1",BWKDAMBGCPRVPI-ZQRPHVBESA-N
BMGC_DG14613,BMG_DG182852,,n1(c2c(c(N[C@@H](Cc3c(ccs3)Cl)CC)ccn2)nc1)[C@H]4[C@@H]([C@H](O)[C@H](C4)C(=O)NCC)O,,DNPNXAXAKNFJDD-GFOALDQYSA-N
BMGC_DG14614,BMG_DG182854,,OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2c(c(cc(c2)C)O)C(CCc3cc4ccoc4cc3)=O)O)O)O,,GMYFQAHYWIYNES-PFKOEMKTSA-N
BMGC_DG14615,BMG_DG182856,CC(C)(CC1=CC2=CC=CC=C2C=C1)NC[C@H](COC3=C(C(=CC=C3)Cl)C#N)O,C(c1c(cccc1OC[C@@H](CNC(Cc2cc3ccccc3cc2)(C)C)O)Cl)#N,"InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1",PZUJQWHTIRWCID-HXUWFJFHSA-N
BMGC_DG14616,BMG_DG182858,,c12n(nc(c3ccccc13)OCc4nnn(c4)C)c(nn2)-c5noc(c5)C,,NZMJFRXKGUCYNP-UHFFFAOYSA-N
BMGC_DG14617,BMG_DG182860,CCP(CC)CC.CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+],[S-]([C@@H]1O[C@@H]([C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)OC(C)=O)COC(C)=O)[Au+][P](CC)(CC)CC,"InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m1../s1",AUJRCFUBUPVWSZ-XTZHGVARSA-M
BMGC_DG14618,BMG_DG182861,C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl,c1(c(C(=O)NOCC2CC2)ccc(c1F)F)Nc3c(cc(cc3)I)Cl,"InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)",GFMMXOIFOQCCGU-UHFFFAOYSA-N
BMGC_DG14619,BMG_DG182863,CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4,N1(C(C(C2CC2)=O)c3c(F)cccc3)Cc4cc(OC(=O)C)sc4CC1,"InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3",DTGLZDAWLRGWQN-UHFFFAOYSA-N
BMGC_DG14620,BMG_DG182864,,C([C@@H](NC(=O)c1c(cc(cc1)CNCc2cnc[nH]2)-c3c(cccc3)C)CCSC)(=O)OC,,KZCMMZOLCBZLNG-QHCPKHFHSA-N
BMGC_DG14621,BMG_DG182866,C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4C[C@H]5CC[C@@H](C4)N5C)C,[C@]123[C@]([C@]([C@H](OC(=O)CS[C@@H]4C[C@H]5CC[C@H](N5C)C4)C[C@]([C@H]([C@@H]1C)O)(C=C)C)([C@H](C)CC2)C)(C(=O)CC3)[H],"InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22?,24-,26+,27+,28-,29+,30+/m1/s1",STZYTFJPGGDRJD-FJJJPKKESA-N;STZYTFJPGGDRJD-NHUWBDDWSA-N
BMGC_DG14622,BMG_DG182867,,C([C@H]([C@H](CC)C)N)(=O)N1CSCC1,,WCRLBFHWFPELKW-YUMQZZPRSA-N
BMGC_DG14623,BMG_DG182868,,O=C1[C@H](NC(=O)[C@]2(N(C(=O)[C@H](CCCNC(=O)[C@@H](NC([C@@H](N1)Cc3c[nH]c4c3cccc4)=O)CCCNC(=N)N)NC([C@@H](NC(C)=O)Cc5ccccc5)=O)CCC2)[H])CC6CCCCC6,,YOKBGCTZYPOSQM-HPSWDUTRSA-N
BMGC_DG14624,BMG_DG182869,,C(c1c(O)cc(OC)cc1-c2cc(O)c(O)cc2C)(=O)O,,ADPBTBPPIIKLEH-UHFFFAOYSA-N
BMGC_DG14625,BMG_DG182870,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H]([C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)C(=O)O[C@H]3C[C@]4([C@H]([C@H]5[C@@]([C@H](C[C@@H]6[C@]5(CO6)OC(=O)C)O)(C(=O)[C@@H](C(=C3C)C4(C)C)OC(=O)C)C)OC(=O)C7=CC=CC=C7)O,[C@@]12([C@@]([C@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)([C@@H]([C@@]4(C[C@@H](C(=C([C@H](C2=O)OC(=O)C)C4(C)C)C)OC([C@@H]([C@@H](NC(=O)c5ccccc5)c6ccccc6)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)O)OC(=O)c7ccccc7)[H])C,"InChI=1S/C69H81NO15/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35-42-55(74)83-59(57(49-36-29-26-30-37-49)70-63(76)50-38-31-27-32-39-50)65(78)82-52-44-69(79)62(84-64(77)51-40-33-28-34-41-51)60-67(7,53(73)43-54-68(60,45-80-54)85-48(4)72)61(75)58(81-47(3)71)56(46(52)2)66(69,5)6/h9-10,12-13,15-16,18-19,21-22,24-34,36-41,52-54,57-60,62,73,79H,8,11,14,17,20,23,35,42-45H2,1-7H3,(H,70,76)/b10-9-,13-12-,16-15-,19-18-,22-21-,25-24-/t52-,53-,54+,57-,58+,59+,60-,62-,67+,68-,69+/m0/s1",LRCZQSDQZJBHAF-PUBGEWHCSA-N
BMGC_DG14626,BMG_DG182871,C1=CC=C(C(=C1)[C@@H](COC(=O)N)O)Cl,C(OC[C@H](c1c(Cl)cccc1)O)(=O)N,"InChI=1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m1/s1",OLBWFRRUHYQABZ-MRVPVSSYSA-N
BMGC_DG14627,BMG_DG182874,C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)O)C,,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12?,13-,14-,15-/m1/s1",BJDCWCLMFKKGEE-HVDUHBCDSA-N
BMGC_DG14628,BMG_DG182876,C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)O,c1(c(ccc(c1)F)F)[C@]([C@@H](C)c2scc(n2)-c3ccc(cc3)C#N)(Cn4cncn4)O,"InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1",DDFOUSQFMYRUQK-RCDICMHDSA-N
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BMGC_DG14638,BMG_DG182890,,[nH]1c(c(c2cc(ccc12)OC)CCN(C)C)-c3ccccc3,,VSGPGYWZVPDDSK-UHFFFAOYSA-N
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BMGC_DG14684,BMG_DG183001,,c1ccccc1Cc2sc(nc2)N,,FJIMLXBJUVLMMN-UHFFFAOYSA-N
BMGC_DG14685,BMG_DG183056,,OC(c1cc(ccc1O)C=O)=O,,UTCFOFWMEPQCSR-UHFFFAOYSA-N
BMGC_DG14686,BMG_DG183063,C[C@@H]([C@@H](C1=CC=CC=C1)O)[NH2+]C,,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1",KWGRBVOPPLSCSI-WPRPVWTQSA-O
BMGC_DG14687,BMG_DG183098,,c1(ccc(cc1)C(=O)O)-c2c(cc(c(c2)O)OC)[C@@H]3Nc4ccc(cc4[C@@]5([C@]3(Cc6ccccc65)[H])[H])C(=N)N,,UZOHOGNUODEPEP-USOMCTOXSA-N
BMGC_DG14688,BMG_DG183108,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-],,"InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/p-1/t9-/m0/s1",CMWTZPSULFXXJA-VIFPVBQESA-M
BMGC_DG14689,BMG_DG183128,,C(c1ccc(cc1)C)(=O)CBr,,KRVGXFREOJHJAX-UHFFFAOYSA-N
BMGC_DG14690,BMG_DG183138,,c1(c(c(Cc2c(c(cc(c2)CC)C(C)(C)C)O)cc(c1)CC)O)C(C)(C)C,,GPNYZBKIGXGYNU-UHFFFAOYSA-N
BMGC_DG14691,BMG_DG183141,C1=CC=C(C=C1)CS(=O)(=O)CC2=CC=CC=C2,S(=O)(=O)(Cc1ccccc1)Cc2ccccc2,"InChI=1S/C14H14O2S/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2",AWHNUHMUCGRKRA-UHFFFAOYSA-N
BMGC_DG14692,BMG_DG183150,CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC,CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC,"InChI=1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3",PJHKBYALYHRYSK-UHFFFAOYSA-N
BMGC_DG14693,BMG_DG183154,,O=C(Nc1ccccc1)C(=O)Nc2ccccc2,,FTWUXYZHDFCGSV-UHFFFAOYSA-N
BMGC_DG14694,BMG_DG183181,,c1c(cc(O)c2C=3C[C@@H](CCC3C(C)(C)Oc12)C)CCCCC,,NEBZNJDFIPBXCS-CQSZACIVSA-N
BMGC_DG14695,BMG_DG183192,,[C@H]([C@H](N)c1ccccc1)(N)c2ccccc2,,PONXTPCRRASWKW-OKILXGFUSA-N
BMGC_DG14696,BMG_DG183212,CC(C)(C)C1=C(C=CC(=C1)O)OC,c1(C(C)(C)C)c(ccc(c1)O)OC,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7,12H,1-4H3",IMOYOUMVYICGCA-UHFFFAOYSA-N
BMGC_DG14697,BMG_DG183240,,N(C(Nc1c(C)cccc1)=S)C(=O)c2ccccc2,,LTGMLAWCHYYTCQ-UHFFFAOYSA-N
BMGC_DG14698,BMG_DG183241,,c1(n(c(c(c(n1C)=O)-c2ccc(cc2)C[C@H](NC(=O)c3c(cccc3F)F)C(O)=O)C)C)=O,,LYHCGYLAKNFJSM-KRWDZBQOSA-N
BMGC_DG14699,BMG_DG183331,C1=CC=C(C(=C1)C(=O)N)N,c1(c(cccc1)N)C(N)=O,"InChI=1S/C7H8N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)",PXBFMLJZNCDSMP-UHFFFAOYSA-N
BMGC_DG14700,BMG_DG183344,CC(C)C1=CC=CC=C1O,c1c(c(C(C)C)ccc1)O,"InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3",CRBJBYGJVIBWIY-UHFFFAOYSA-N
BMGC_DG14701,BMG_DG183355,CC1=CC=CC=C1[N+](=O)[O-],c1(ccccc1C)[N+]([O-])=O,"InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3",PLAZTCDQAHEYBI-UHFFFAOYSA-N
BMGC_DG14702,BMG_DG183364,,C(Nc1c2c(cccc2)ccc1)(=O)c3ccccc3,,ALANUUFGKYEMNI-UHFFFAOYSA-N
BMGC_DG14703,BMG_DG183378,C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=N2,O=c1cc-2oc3cc(O)ccc3nc2cc1,"InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H",HSSLDCABUXLXKM-UHFFFAOYSA-N
BMGC_DG14704,BMG_DG183394,,[H][C@@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@]1([H])c4cccc5c4N2CCN5C,,HOIIHACBCFLJET-NHCUHLMSSA-N
BMGC_DG14705,BMG_DG183485,,C([C@H](Cc1cc(O)ccc1)N)(=O)O,,JZKXXXDKRQWDET-QMMMGPOBSA-N
BMGC_DG14706,BMG_DG183490,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,C(C([C@H]([C@H](O)[C@H](O)COP(O)(=O)O)O)=O)O,"InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1",GSXOAOHZAIYLCY-HSUXUTPPSA-N
BMGC_DG14707,BMG_DG183517,,C([C@@H](CC(C)C)NC)(=O)O,,XJODGRWDFZVTKW-ZCFIWIBFSA-N
BMGC_DG14708,BMG_DG183531,,[Cl-].c1(cc(c2c(c1)[o+]c(c(c2)O)-c3cc(c(c(c3)OC)O)OC)O)O,,KQIKOUUKQBTQBE-UHFFFAOYSA-N
BMGC_DG14709,BMG_DG183556,,Cc1ccccc1CC(=O)O,,RZWGTXHSYZGXKF-UHFFFAOYSA-N
BMGC_DG14710,BMG_DG183557,CN1C=NC=C1CCN,Cn1cncc1CCN,"InChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3",CPAGZVLINCPJEH-UHFFFAOYSA-N
BMGC_DG14711,BMG_DG183563,,O(C(=O)CCCCCCCCCCC)C(=O)CCCCCCCCCCC,,NWADXBLMWHFGGU-UHFFFAOYSA-N
BMGC_DG14712,BMG_DG183574,C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-],c1(c(c([N+]([O-])=O)cc([N+]([O-])=O)c1)O)[N+]([O-])=O,"InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H",OXNIZHLAWKMVMX-UHFFFAOYSA-N
BMGC_DG14713,BMG_DG183582,CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O,c12c(c(=O)n(c(n1C)=O)C)n(CC(=O)O)cn2,"InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)",HCYFGRCYSCXKNQ-UHFFFAOYSA-N
BMGC_DG14714,BMG_DG183596,,C(F)(F)(F)c1c(S(N)(=O)=O)cc(c(c1)N)S(N)(=O)=O,,KRVABEGPNKGLOT-UHFFFAOYSA-N
BMGC_DG14715,BMG_DG183618,C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)C(=O)O,C([C@@H](NC(=O)c1ccccc1)Cc2ccc(cc2)O)(Nc3ccc(C(=O)O)cc3)=O,"InChI=1S/C23H20N2O5/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30)/t20-/m0/s1",SPPTWHFVYKCNNK-FQEVSTJZSA-N
BMGC_DG14716,BMG_DG183628,,c1(c([nH]cn1)-c2ccccc2)-c3ccccc3,,CPHGOBGXZQKCKI-UHFFFAOYSA-N
BMGC_DG14717,BMG_DG183631,,c1(cnc[nH]1)-c2ccccc2,,XHLKOHSAWQPOFO-UHFFFAOYSA-N
BMGC_DG14718,BMG_DG183632,,,,
BMGC_DG14719,BMG_DG183633,,c1ccccc1-c2ncc[nH]2,,ZCUJYXPAKHMBAZ-UHFFFAOYSA-N
BMGC_DG14720,BMG_DG183635,C1=CC(=C(C=C1S(=O)(=O)N)S(=O)(=O)N)Cl,S(c1cc(S(=O)(=O)N)ccc1Cl)(=O)(=O)N,"InChI=1S/C6H7ClN2O4S2/c7-5-2-1-4(14(8,10)11)3-6(5)15(9,12)13/h1-3H,(H2,8,10,11)(H2,9,12,13)",NENBAISIHCWPKP-UHFFFAOYSA-N
BMGC_DG14721,BMG_DG183642,,O=Cc1ccc(OC)cc1O,,WZUODJNEIXSNEU-UHFFFAOYSA-N
BMGC_DG14722,BMG_DG183644,,CC(=O)NCCc1cnc[nH]1,,XJWPISBUKWZALE-UHFFFAOYSA-N
BMGC_DG14723,BMG_DG183646,,c1c(ccc2c1[C@@H]3CNC[C@H]2C3)C(F)(F)F,,RNOBTWYQAWEZHH-SFYZADRCSA-N
BMGC_DG14724,BMG_DG183652,,c1(c(cc(C(O)=O)c(c1)C(O)=O)C(O)=O)C(O)=O,,CYIDZMCFTVVTJO-UHFFFAOYSA-N
BMGC_DG14725,BMG_DG183691,C[NH+]1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC,,"InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1",RUZIUYOSRDWYQF-HNNXBMFYSA-O
BMGC_DG14726,BMG_DG183693,CC(C)C[C@@H](C(=O)N)N,N[C@H](C(=O)N)CC(C)C,"InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1",FORGMRSGVSYZQR-YFKPBYRVSA-N
BMGC_DG14727,BMG_DG183729,,Ic1c[nH]c([nH]c1=O)=O,,KSNXJLQDQOIRIP-UHFFFAOYSA-N
BMGC_DG14728,BMG_DG183740,CC(=O)C1=C(C=CC=C1O)O,c1(C(=O)C)c(O)cccc1O,"InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3",YPTJKHVBDCRKNF-UHFFFAOYSA-N
BMGC_DG14729,BMG_DG183746,,NS(=O)(=O)c1ccc(Br)cc1,,STYQHICBPYRHQK-UHFFFAOYSA-N
BMGC_DG14730,BMG_DG183748,CN1C=C(C=CC1=O)C(=O)N,C(c1ccc(=O)n(C)c1)(=O)N,"InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)",JLQSXXWTCJPCBC-UHFFFAOYSA-N
BMGC_DG14731,BMG_DG183807,,c1(c(c([nH]c([nH]1)=O)C(=O)O)F)=O,,SEHFUALWMUWDKS-UHFFFAOYSA-N
BMGC_DG14732,BMG_DG183816,C1CC2=CC=CC=C2[C@H]1O,,"InChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2/t9-/m0/s1",YIAPLDFPUUJILH-VIFPVBQESA-N
BMGC_DG14733,BMG_DG183839,,NC[C@@H](O)CC(=O)O,,YQGDEPYYFWUPGO-VKHMYHEASA-N
BMGC_DG14734,BMG_DG183854,,Cc1cc(NC2CCCCC2)nc(NCc3ccccc3)n1,,GDKCAAWSNQLXNX-UHFFFAOYSA-N
BMGC_DG14735,BMG_DG183855,,c1(C=O)c(O)cc(OC)cc1OC,,FQRQWPNYJOFDLO-UHFFFAOYSA-N
BMGC_DG14736,BMG_DG183856,CN1C(=O)C2=C(NC(=O)N2)NC1=O,n1(c(=O)[nH]c2[nH]c([nH]c2c1=O)=O)C,"InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)",QFDRTQONISXGJA-UHFFFAOYSA-N
BMGC_DG14737,BMG_DG183857,,c1(c(ccc(c1)C)O)C(O)=O,,DLGBEGBHXSAQOC-UHFFFAOYSA-N
BMGC_DG14738,BMG_DG183866,,,,
BMGC_DG14739,BMG_DG183900,,Oc1c(C(C)(C)C)cc([N+]([O-])=O)cc1C(C)(C)C,,FCGKUUOTWLWJHE-UHFFFAOYSA-N
BMGC_DG14740,BMG_DG183905,,O=S(=O)(Nc1ccc([N+]([O-])=O)cc1)c2ccc(cc2)C,,ACOIHAFYVPPSOZ-UHFFFAOYSA-N
BMGC_DG14741,BMG_DG183935,,,,
BMGC_DG14742,BMG_DG183939,C1=CC=C2C(=C1)NC(=S)S2,c1(nc2ccccc2s1)S,"InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)",YXIWHUQXZSMYRE-UHFFFAOYSA-N
BMGC_DG14743,BMG_DG184013,,c1ccccc1C2CCNCC2,,UTBULQCHEUWJNV-UHFFFAOYSA-N
BMGC_DG14744,BMG_DG184034,CC1=CC(=C(C=C1)C(C)C)O,c1(c(ccc(c1)C)C(C)C)O,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3",MGSRCZKZVOBKFT-UHFFFAOYSA-N
BMGC_DG14745,BMG_DG184042,COC1=C(C=C2C=CC(=O)OC2=C1)O,,"InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3",SYTYLPHCLSSCOJ-UHFFFAOYSA-N
BMGC_DG14746,BMG_DG184048,CC(=O)C1=C(C=C(C=C1)O)O,c1c(c(C(C)=O)ccc1O)O,"InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3",SULYEHHGGXARJS-UHFFFAOYSA-N
BMGC_DG14747,BMG_DG184105,,[C@@](C(=O)O)(C(F)F)(N)CCCN,,VLCYCQAOQCDTCN-ZCFIWIBFSA-N
BMGC_DG14748,BMG_DG184127,C(CC[NH3+])CC(=O)[O-],,"InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)",JJMDCOVWQOJGCB-UHFFFAOYSA-N
BMGC_DG14749,BMG_DG184138,C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)N,c1(c[nH]c2c1cccc2)C[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(O)=O,"InChI=1S/C16H19N3O5/c17-11(15(21)22)5-6-14(20)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,20)(H,21,22)(H,23,24)/t11-,13+/m1/s1",CATMPQFFVNKDEY-YPMHNXCESA-N
BMGC_DG14750,BMG_DG184151,C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)O)N,,"InChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1",GLUBLISJVJFHQS-VIFPVBQESA-N
BMGC_DG14751,BMG_DG184152,,C([C@H](NC([C@H](CC(C)C)N)=O)C(O)=O)c1c2c([nH]c1)cccc2,,BQVUABVGYYSDCJ-ZFWWWQNUSA-N
BMGC_DG14752,BMG_DG184153,,C(=O)([C@@H](N)CCCCN)N[C@H](C(=O)O)C(C)C,,YQAIUOWPSUOINN-IUCAKERBSA-N
BMGC_DG14753,BMG_DG184154,CSCC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N,,"InChI=1S/C14H20N2O3S/c1-20-8-7-11(15)13(17)16-12(14(18)19)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1",HGCNKOLVKRAVHD-RYUDHWBXSA-N
BMGC_DG14754,BMG_DG184164,,[Si](O)(c1ccccc1)(c2ccccc2)c3ccccc3,,NLSXASIDNWDYMI-UHFFFAOYSA-N
BMGC_DG14755,BMG_DG184183,,C(CC[C@@H](C(NCC(O)=O)=O)N)(N)=O,,JEFZIKRIDLHOIF-BYPYZUCNSA-N
BMGC_DG14756,BMG_DG184187,,N[C@H](CC#C)C(=O)O,,DGYHPLMPMRKMPD-SCSAIBSYSA-N
BMGC_DG14757,BMG_DG184203,,N[C@@H](CCSC)C(=O)NCC(=O)O,,QXOHLNCNYLGICT-YFKPBYRVSA-N
BMGC_DG14758,BMG_DG184212,C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N,,"InChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)/t15-,16-/m0/s1",GKZIWHRNKRBEOH-HOTGVXAUSA-N
BMGC_DG14759,BMG_DG184217,,Cc1c(-c2nn3c(N(C4CCOCC4)C)cc(N5CC[C@@H](F)C5)nc3c2)nc6ccccc6n1,,XJHYZPHNGDXRJW-QGZVFWFLSA-N
BMGC_DG14760,BMG_DG184271,COC1=CC=C(C=C1)/C=C/C(=O)O,c1(ccc(OC)cc1)/C=C/C(O)=O,"InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+",AFDXODALSZRGIH-QPJJXVBHSA-N
BMGC_DG14761,BMG_DG184309,,O=C1C=C[C@H]2CO[C@@H]1O2,,HITOXZPZGPXYHY-UJURSFKZSA-N
BMGC_DG14762,BMG_DG184322,,,,
BMGC_DG14763,BMG_DG184367,,c1ccc(=O)n(O)c1,,SNUSZUYTMHKCPM-UHFFFAOYSA-N
BMGC_DG14764,BMG_DG184376,C1=CC=C(C(=C1)C=O)O,c1c(c(ccc1)O)C=O,"InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H",SMQUZDBALVYZAC-UHFFFAOYSA-N
BMGC_DG14765,BMG_DG184379,,C(CNC([C@@H](N)C)=O)(=O)O,,CXISPYVYMQWFLE-VKHMYHEASA-N
BMGC_DG14766,BMG_DG184380,,N(N)c1ccc(cc1)F,,ZXBMIRYQUFQQNX-UHFFFAOYSA-N
BMGC_DG14767,BMG_DG184450,CC(C)CC(=O)C(=O)O,C(C(CC(C)C)=O)(=O)O,"InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)",BKAJNAXTPSGJCU-UHFFFAOYSA-N
BMGC_DG14768,BMG_DG184451,C(CO)N,C(CO)N,"InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2",HZAXFHJVJLSVMW-UHFFFAOYSA-N
BMGC_DG14769,BMG_DG184483,,c1c(-c2ccccc2)ssc1=O,,ZCDDSVYFACNQAM-UHFFFAOYSA-N
BMGC_DG14770,BMG_DG184490,CC1=CC=CC2=CC=CC=C12,c12c(cccc1)c(ccc2)C,"InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3",QPUYECUOLPXSFR-UHFFFAOYSA-N
BMGC_DG14771,BMG_DG184497,C1=CC=C2C(=C1)C=CC=C2Cl,c12c(c(ccc1)Cl)cccc2,InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,JTPNRXUCIXHOKM-UHFFFAOYSA-N
BMGC_DG14772,BMG_DG184524,C1=CC=C2C(=C1)C=CC=C2O,c1ccc2c(c1)cccc2O,"InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H",KJCVRFUGPWSIIH-UHFFFAOYSA-N
BMGC_DG14773,BMG_DG184539,,c1ccc(/C=C(\c2ccccc2)/C(=O)O)cc1,,BIDDLDNGQCUOJQ-SDNWHVSQSA-N
BMGC_DG14774,BMG_DG184584,C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N,,"InChI=1S/C18H20N2O4/c19-15(10-13-6-8-14(21)9-7-13)17(22)20-16(18(23)24)11-12-4-2-1-3-5-12/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24)/t15-,16-/m0/s1",CGWAPUBOXJWXMS-HOTGVXAUSA-N
BMGC_DG14775,BMG_DG184594,C([C@@H](C(=O)NCC(=O)O)N)O,,"InChI=1S/C5H10N2O4/c6-3(2-8)5(11)7-1-4(9)10/h3,8H,1-2,6H2,(H,7,11)(H,9,10)/t3-/m0/s1",WOUIMBGNEUWXQG-VKHMYHEASA-N
BMGC_DG14776,BMG_DG184620,C(CCN)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N,N[C@H](C(=O)N[C@@H](CCC(O)=O)C(=O)O)CCCCN,"InChI=1S/C11H21N3O5/c12-6-2-1-3-7(13)10(17)14-8(11(18)19)4-5-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1",UGTZHPSKYRIGRJ-YUMQZZPRSA-N
BMGC_DG14777,BMG_DG184650,,,,
BMGC_DG14778,BMG_DG184651,CCC(C1=CC=CC=C1)C(=O)O,C(C(c1ccccc1)CC)(=O)O,"InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)",OFJWFSNDPCAWDK-UHFFFAOYSA-N
BMGC_DG14779,BMG_DG184652,CN1C=CC(=O)N(C1=O)C,O=c1n(C)c(=O)ccn1C,"InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3",JSDBKAHWADVXFU-UHFFFAOYSA-N
BMGC_DG14780,BMG_DG184657,C1=CC=C(C=C1)NC2=CC=CC3=CC=CC=C32,c1(Nc2ccccc2)c3c(cccc3)ccc1,"InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H",XQVWYOYUZDUNRW-UHFFFAOYSA-N
BMGC_DG14781,BMG_DG184660,,,,
BMGC_DG14782,BMG_DG184661,,c1(c(cc(cc1)O)C)C(=O)C,,IAMNVCJECQWBLZ-UHFFFAOYSA-N
BMGC_DG14783,BMG_DG184703,C(CCN)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N,,"InChI=1S/C11H21N3O5/c12-6-2-1-3-8(11(18)19)14-10(17)7(13)4-5-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1",BBBXWRGITSUJPB-YUMQZZPRSA-N
BMGC_DG14784,BMG_DG184725,,O=C(OC)c1cc(OC)c(c(c1)OC)O,,ZMXJAEGJWHJMGX-UHFFFAOYSA-N
BMGC_DG14785,BMG_DG184734,C1=CC=C(C=C1)C2=CC=CC=C2O,c1(c(O)cccc1)-c2ccccc2,"InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H",LLEMOWNGBBNAJR-UHFFFAOYSA-N
BMGC_DG14786,BMG_DG184740,CCN(CC)CCNC(=O)C1=CC(=C(C=C1)N)Cl,c1cc(N)c(Cl)cc1C(=O)NCCN(CC)CC,"InChI=1S/C13H20ClN3O/c1-3-17(4-2)8-7-16-13(18)10-5-6-12(15)11(14)9-10/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18)",YEYAKZXEBSVURO-UHFFFAOYSA-N
BMGC_DG14787,BMG_DG184766,C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N,c1(c2c(cccc2)nc3c1cccc3)N,"InChI=1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15)",XJGFWWJLMVZSIG-UHFFFAOYSA-N
BMGC_DG14788,BMG_DG184780,,CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc21)C(=O)O)N,,BVRPESWOSNFUCJ-LKTVYLICSA-N
BMGC_DG14789,BMG_DG184782,C([C@@H](C(=O)N[C@@H](CO)C(=O)O)N)O,,"InChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)/t3-,4-/m0/s1",XZKQVQKUZMAADP-IMJSIDKUSA-N
BMGC_DG14790,BMG_DG184785,,C[C@@]12C(C)(C)[C@@H](/C(/C1=O)=C\c3ccc(cc3)C)CC2,,HEOCBCNFKCOKBX-RELGSGGGSA-N
BMGC_DG14791,BMG_DG184787,,Oc1ccc(CC(=O)C)cc1,,VWMVAQHMFFZQGD-UHFFFAOYSA-N
BMGC_DG14792,BMG_DG184802,CCO,OCC,"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",LFQSCWFLJHTTHZ-UHFFFAOYSA-N
BMGC_DG14793,BMG_DG184803,,c12c(c(c3ccccc3o1)=O)cccc2,,JNELGWHKGNBSMD-UHFFFAOYSA-N
BMGC_DG14794,BMG_DG184804,,C(CC(=O)N)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N,,OWOFCNWTMWOOJJ-WDSKDSINSA-N
BMGC_DG14795,BMG_DG184810,C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C[C@@H](C(=O)O)N,c1c(cccc1)C(=O)c2ccc(cc2)C[C@H](N)C(=O)O,"InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1",TVIDEEHSOPHZBR-AWEZNQCLSA-N
BMGC_DG14796,BMG_DG184811,,C(O)([C@@H](NC([C@@H](N)CCCNC(N)=N)=O)C)=O,,WVRUNFYJIHNFKD-WDSKDSINSA-N
BMGC_DG14797,BMG_DG184821,C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=CC=C2)N)C(=O)O,,"InChI=1S/C14H18N2O3/c15-11(9-10-5-2-1-3-6-10)13(17)16-8-4-7-12(16)14(18)19/h1-3,5-6,11-12H,4,7-9,15H2,(H,18,19)/t11-,12-/m0/s1",WEQJQNWXCSUVMA-RYUDHWBXSA-N
BMGC_DG14798,BMG_DG184849,,C(c1cccc(Br)c1)CN,,ORHRHMLEFQBHND-UHFFFAOYSA-N
BMGC_DG14799,BMG_DG184855,C1=CC(=CC=C1C[C@@H](C(=O)NCC(=O)O)N)O,C([C@@H](C(NCC(O)=O)=O)N)c1ccc(cc1)O,"InChI=1S/C11H14N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,17)(H,15,16)/t9-/m0/s1",HPYDSVWYXXKHRD-VIFPVBQESA-N
BMGC_DG14800,BMG_DG184870,,c12c(c(cc(c1)OC)N)nccc2,,YGGTVPCTAKYCSQ-UHFFFAOYSA-N
BMGC_DG14801,BMG_DG184871,,O=C(c1ccncc1)c2ccc(F)cc2,,WTRWBYGUMQEFFI-UHFFFAOYSA-N
BMGC_DG14802,BMG_DG184881,,c1(c(c(Br)cc(c1)Br)O)C=O,,JHZOXYGFQMROFJ-UHFFFAOYSA-N
BMGC_DG14803,BMG_DG184897,,N1(C(C=CC1=O)=O)C,,SEEYREPSKCQBBF-UHFFFAOYSA-N
BMGC_DG14804,BMG_DG184898,,n1c(c[nH]c1CC)C,,ULKLGIFJWFIQFF-UHFFFAOYSA-N
BMGC_DG14805,BMG_DG184906,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,"InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1",PHOQVHQSTUBQQK-SQOUGZDYSA-N
BMGC_DG14806,BMG_DG184915,C[C@@H]([C@H](C1=CC=CC=C1)O)NC,[C@H](c1ccccc1)([C@@H](NC)C)O,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1",KWGRBVOPPLSCSI-WCBMZHEXSA-N
BMGC_DG14807,BMG_DG184923,CCN(CC)C(C)C(=O)C1=CC=CC=C1,C(C(N(CC)CC)C)(=O)c1ccccc1,"InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3",XXEPPPIWZFICOJ-UHFFFAOYSA-N
BMGC_DG14808,BMG_DG184931,,Clc1ccc(C(=O)CCl)cc1,,FWDFNLVLIXAOMX-UHFFFAOYSA-N
BMGC_DG14809,BMG_DG184961,CC1=CC(=O)N(N1)C2=CC=CC=C2,,"InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3",KZQYIMCESJLPQH-UHFFFAOYSA-N
BMGC_DG14810,BMG_DG184980,,c1ccc(CC(=S)N2CCOCC2)cc1,,NYFHVSARWRNBEM-UHFFFAOYSA-N
BMGC_DG14811,BMG_DG184999,C1COCCN1CNC(=O)C2=NC=CN=C2,n1ccncc1C(=O)NCN2CCOCC2,"InChI=1S/C10H14N4O2/c15-10(9-7-11-1-2-12-9)13-8-14-3-5-16-6-4-14/h1-2,7H,3-6,8H2,(H,13,15)",GVTLAVKAVSKBKK-UHFFFAOYSA-N
BMGC_DG14812,BMG_DG185015,C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=CC=C3,c1ccccc1-c2ccc(-c3ccccc3)o2,InChI=1S/C16H12O/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-12H,VUPDHIIPAKIKAB-UHFFFAOYSA-N
BMGC_DG14813,BMG_DG185039,COC1=C(C(=CC=C1)OC)O,c1(c(c(OC)ccc1)O)OC,"InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3",KLIDCXVFHGNTTM-UHFFFAOYSA-N
BMGC_DG14814,BMG_DG185050,,Oc1c(O)cc2oc-3cc(=O)c(O)cc3c(-c4ccccc4)c2c1,,YDCFOUBAMGLLKA-UHFFFAOYSA-N
BMGC_DG14815,BMG_DG185055,,CC(C)(C)NC(=O)N1c2ccccc2Sc3ccccc13,,VEHORJYPKNVWKA-UHFFFAOYSA-N
BMGC_DG14816,BMG_DG185058,COC1=CC=CC=C1OC,COc1ccccc1OC,"InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3",ABDKAPXRBAPSQN-UHFFFAOYSA-N
BMGC_DG14817,BMG_DG185098,CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,C(C([O-])=O)[C@@H](OC(=O)C)C[N+](C)(C)C,"InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1",RDHQFKQIGNGIED-MRVPVSSYSA-N
BMGC_DG14818,BMG_DG185103,,N1Cc2ccccc2CC1,,UWYZHKAOTLEWKK-UHFFFAOYSA-N
BMGC_DG14819,BMG_DG185141,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-],,"InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/p-1/t12-,15-/m1/s1",XIURVHNZVLADCM-IUODEOHRSA-M
BMGC_DG14820,BMG_DG185151,,C(C1CCN(CC1)CCC[C@H](c2ccc(C(C)(C)C)cc2)O)(c3ccccc3)(c4ccccc4)O,,GUGOEEXESWIERI-SSEXGKCCSA-N
BMGC_DG14821,BMG_DG185164,,CCN(CC)c1ccc2c(C)cc(=O)oc2c1,,AFYCEAFSNDLKSX-UHFFFAOYSA-N
BMGC_DG14822,BMG_DG185172,,Oc1c(cccc1CC)CC,,METWAQRCMRWDAW-UHFFFAOYSA-N
BMGC_DG14823,BMG_DG185177,,C1(OCC(C1)c2ccccc2)=O,,YFNSPPHTAARSPD-UHFFFAOYSA-N
BMGC_DG14824,BMG_DG185185,,c12c(c(C)c([nH]1)C)cccc2,,PYFVEIDRTLBMHG-UHFFFAOYSA-N
BMGC_DG14825,BMG_DG185195,C1=CC=C2C(=C1)C(=O)C(=O)N2,O=C1C(=O)c2ccccc2N1,"InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)",JXDYKVIHCLTXOP-UHFFFAOYSA-N
BMGC_DG14826,BMG_DG185200,CC(=O)NCCC1=CNC2=CC=CC=C21,,"InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)",NVUGEQAEQJTCIX-UHFFFAOYSA-N
BMGC_DG14827,BMG_DG185202,CC1=CC2=CC=CC=C2C=C1,c1c2cc(C)ccc2ccc1,"InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3",QIMMUPPBPVKWKM-UHFFFAOYSA-N
BMGC_DG14828,BMG_DG185210,C1=CC=C2C=C(C=CC2=C1)Cl,c12c(ccc(c1)Cl)cccc2,InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,CGYGETOMCSJHJU-UHFFFAOYSA-N
BMGC_DG14829,BMG_DG185218,CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C,CCCCCCn1c(=O)n(C)c2ncn(C)c2c1=O,"InChI=1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3",MRWQRJMESRRJJB-UHFFFAOYSA-N
BMGC_DG14830,BMG_DG185222,,,,
BMGC_DG14831,BMG_DG185226,,c1ccc2c(c1)N(c3ccccc3S2)C(=O)N4CCOCC4,,PWLGMYUBQYNSQV-UHFFFAOYSA-N
BMGC_DG14832,BMG_DG185228,,,,
BMGC_DG14833,BMG_DG185246,C1C[C@H](C2=CC=CC=C2C1)O,,"InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2/t10-/m1/s1",JAAJQSRLGAYGKZ-SNVBAGLBSA-N
BMGC_DG14834,BMG_DG185247,,c12c(cccc1)CCC[C@@H]2O,,JAAJQSRLGAYGKZ-JTQLQIEISA-N
BMGC_DG14835,BMG_DG185287,C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)[O-],,"InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/p-1/t4-,6-,7-,10-/m1/s1",IVOMOUWHDPKRLL-KQYNXXCUSA-M
BMGC_DG14836,BMG_DG185295,CC1=NC2=CC=CC=C2C=C1,c12c(ccc(n1)C)cccc2,"InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3",SMUQFGGVLNAIOZ-UHFFFAOYSA-N
BMGC_DG14837,BMG_DG185302,,CNCc1ccccc1-c2cccs2,,MRKJJEJYTBOUTH-UHFFFAOYSA-N
BMGC_DG14838,BMG_DG185335,CN1C2=C(C(=O)NC1=O)NC=N2,c12n(c(=O)[nH]c(c1nc[nH]2)=O)C,"InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)",GMSNIKWWOQHZGF-UHFFFAOYSA-N
BMGC_DG14839,BMG_DG185337,C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N,n1c(nc(nc1N)N)-c2ccccc2,"InChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)",GZVHEAJQGPRDLQ-UHFFFAOYSA-N
BMGC_DG14840,BMG_DG185338,,O=C1ON=C(c2ccccc2)C1,,IHKNLPPRTQQACK-UHFFFAOYSA-N
BMGC_DG14841,BMG_DG185357,CS(=O)(=O)NC1=C(C=C(C=C1)C(=O)O[C@@H](CC2=C(C=[N+](C=C2Cl)[O-])Cl)C3=CC(=C(C=C3)OC(F)F)OCC4CC4)OCC5CC5,c1c(c(c(c[n+]1[O-])Cl)C[C@H](OC(c2cc(c(cc2)NS(=O)(=O)C)OCC3CC3)=O)c4cc(c(cc4)OC(F)F)OCC5CC5)Cl,"InChI=1S/C30H30Cl2F2N2O8S/c1-45(39,40)35-24-8-6-20(11-27(24)41-15-17-2-3-17)29(37)43-26(12-21-22(31)13-36(38)14-23(21)32)19-7-9-25(44-30(33)34)28(10-19)42-16-18-4-5-18/h6-11,13-14,17-18,26,30,35H,2-5,12,15-16H2,1H3/t26-/m0/s1",VCFBPAOSTLMYIV-SANMLTNESA-N
BMGC_DG14842,BMG_DG185373,,n12nc(n(c(c1c(cc2)C#N)=O)-c3ccccc3)[C@H](C)Nc4ncnc(c4C#N)N,,QUMWKKVIZAIAHU-LBPRGKRZSA-N
BMGC_DG14843,BMG_DG185386,,O(C)c1c2c(cc(CCCCC)c1)oc(=O)c(Cc3c(OC)cccc3)c2,,VZYCAUIYIZSPQY-UHFFFAOYSA-N
BMGC_DG14844,BMG_DG185394,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-][C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co],,"InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1",DFDCDQDATCDZSO-OUCXYWSSSA-L
BMGC_DG14845,BMG_DG185395,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co],,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",ITFLMCXLENHUAD-WZHZPDAFSA-L
BMGC_DG14846,BMG_DG185414,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co],,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",ILZDURAAGGSKOQ-WZHZPDAFSA-L
BMGC_DG14847,BMG_DG185479,CC[C@H]1/C=C(/[C@H](C/C=C/C=C(/C(=O)OC(C/C=C(/C=C(/[C@@H]1O[C@H]2[C@H]([C@H]([C@@H](C(O2)(C)C)OC(=O)C(C)C)O)O)\C)\C)[C@@H](C)O)\CO[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)\C,,"InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34?,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1",ZVGNESXIJDCBKN-KFGPIHIUSA-N
BMGC_DG14848,BMG_DG185499,C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])[C@@H](CO)[C@H](CO)O)CC(=O)[O-].[Gd+3],,"InChI=1S/C18H34N4O9.Gd/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);/q;+3/p-3/t14-,15-;/m0./s1",ZPDFIIGFYAHNSK-YYLIZZNMSA-K
BMGC_DG14849,BMG_DG185570,CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC5=CNC=N5)N,,"InChI=1S/C164H252N44O55S/c1-21-77(11)126(156(255)187-95(44-46-114(167)214)141(240)206-130(83(17)211)160(259)186-93(42-33-34-49-165)140(239)202-129(80(14)24-4)159(258)208-131(84(18)212)161(260)200-111(163(262)263)66-125(230)231)203-151(250)100(54-76(9)10)189-145(244)103(57-88-67-175-92-41-32-31-40-90(88)92)192-147(246)105(60-116(169)216)199-157(256)127(78(12)22-2)204-152(251)102(56-87-38-29-26-30-39-87)190-149(248)109(64-123(226)227)195-137(236)94(43-35-50-174-164(171)172)183-134(233)82(16)179-133(232)81(15)180-142(241)98(52-74(5)6)188-146(245)104(59-115(168)215)194-150(249)110(65-124(228)229)196-143(242)99(53-75(7)8)198-158(257)128(79(13)23-3)205-162(261)132(85(19)213)207-153(252)106(61-117(170)217)193-139(238)97(48-51-264-20)185-138(237)96(45-47-120(220)221)184-148(247)108(63-122(224)225)197-155(254)113(72-210)201-144(243)101(55-86-36-27-25-28-37-86)191-154(253)112(71-209)182-119(219)70-177-136(235)107(62-121(222)223)181-118(218)69-176-135(234)91(166)58-89-68-173-73-178-89/h25-32,36-41,67-68,73-85,91,93-113,126-132,175,209-213H,21-24,33-35,42-66,69-72,165-166H2,1-20H3,(H2,167,214)(H2,168,215)(H2,169,216)(H2,170,217)(H,173,178)(H,176,234)(H,177,235)(H,179,232)(H,180,241)(H,181,218)(H,182,219)(H,183,233)(H,184,247)(H,185,237)(H,186,259)(H,187,255)(H,188,245)(H,189,244)(H,190,248)(H,191,253)(H,192,246)(H,193,238)(H,194,249)(H,195,236)(H,196,242)(H,197,254)(H,198,257)(H,199,256)(H,200,260)(H,201,243)(H,202,239)(H,203,250)(H,204,251)(H,205,261)(H,206,240)(H,207,252)(H,208,258)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,262,263)(H4,171,172,174)/t77-,78-,79-,80-,81-,82-,83+,84+,85+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,126-,127-,128-,129-,130-,131-,132-/m0/s1",CILIXQOJUNDIDU-ASQIGDHWSA-N
BMGC_DG14850,BMG_DG185573,C[C@H]([C@@H](C(=O)O)N)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)CNC(=O)OCCOC)O)C(=O)O)O)O)NC(=O)C,,"InChI=1S/C27H46N4O19/c1-10(16(28)23(40)41)48-24-18(30-11(2)33)21(39)20(38)14(49-24)9-47-27(25(42)43)6-12(34)17(22(50-27)19(37)13(35)8-32)31-15(36)7-29-26(44)46-5-4-45-3/h10,12-14,16-22,24,32,34-35,37-39H,4-9,28H2,1-3H3,(H,29,44)(H,30,33)(H,31,36)(H,40,41)(H,42,43)/t10-,12+,13-,14-,16+,17-,18-,19-,20+,21-,22-,24+,27-/m1/s1",GAQMWPRWVIGRRV-IVDGIBIRSA-N
BMGC_DG14851,BMG_DG185587,,O([C@@H]1O[C@H](C(O)=O)[C@H]([C@@H]([C@H]1O)O)O)c2ccc3c(cccc3O[C@@H](CCNC)c4cccs4)c2,,GRIXJAFEBWYBJE-ANUWOGMRSA-N
BMGC_DG14852,BMG_DG185597,CCN(CC)CCCOC(=O)C1(C[C@@H]2CC[C@H]1C2)C3=CC=CC=C3,C1([C@H]2CC[C@@H](C1)C2)(c3ccccc3)C(OCCCN(CC)CC)=O,"InChI=1S/C21H31NO2/c1-3-22(4-2)13-8-14-24-20(23)21(18-9-6-5-7-10-18)16-17-11-12-19(21)15-17/h5-7,9-10,17,19H,3-4,8,11-16H2,1-2H3/t17-,19+,21?/m1/s1",BDNMABJZSXTKAQ-VCPDFFEISA-N
BMGC_DG14853,BMG_DG185604,,C1N(C(N(C1=O)Cc2ccc(cc2)C)=O)c3ccc(cc3)C,,YBVROEKWFAYNLQ-UHFFFAOYSA-N
BMGC_DG14854,BMG_DG185608,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co+2],,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+2;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",DQOCFCZRZOAIBN-WZHZPDAFSA-L
BMGC_DG14855,BMG_DG185626,,,,
BMGC_DG14856,BMG_DG185634,C[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CC(=O)N)C(C)C)CC(C)C)CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)N,,"InChI=1S/C65H104N18O26S4/c1-25(2)15-34-55(98)80-41-24-113-110-21-38(58(101)77-37(65(108)109)16-26(3)4)71-44(87)20-69-62(105)50(30(10)84)83-61(104)40(78-51(94)29(9)70-63(106)48(27(5)6)81-57(100)35(18-43(68)86)76-64(107)49(28(7)8)82-60(41)103)23-112-111-22-39(59(102)73-32(53(96)75-34)11-13-45(88)89)79-54(97)33(12-14-46(90)91)72-56(99)36(19-47(92)93)74-52(95)31(66)17-42(67)85/h25-41,48-50,84H,11-24,66H2,1-10H3,(H2,67,85)(H2,68,86)(H,69,105)(H,70,106)(H,71,87)(H,72,99)(H,73,102)(H,74,95)(H,75,96)(H,76,107)(H,77,101)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,103)(H,83,104)(H,88,89)(H,90,91)(H,92,93)(H,108,109)/t29-,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,48-,49-,50-/m0/s1",NSPHQWLKCGGCQR-DLJDZFDSSA-N
BMGC_DG14857,BMG_DG185648,C1CC1COC2=CC(=NC=C2)C[S@](=O)C3=NC4=C(N3)C=C(C=C4)F,,"InChI=1S/C17H16FN3O2S/c18-12-3-4-15-16(7-12)21-17(20-15)24(22)10-13-8-14(5-6-19-13)23-9-11-1-2-11/h3-8,11H,1-2,9-10H2,(H,20,21)/t24-/m0/s1",DIUOJMLXZJHNDR-DEOSSOPVSA-N
BMGC_DG14858,BMG_DG185657,CCC1=CC=C(C=C1)C(C)CCC2=CC=C(C=C2)[N+](C)(C)C.[Cl-],,"InChI=1S/C21H30N.ClH/c1-6-18-9-13-20(14-10-18)17(2)7-8-19-11-15-21(16-12-19)22(3,4)5;/h9-17H,6-8H2,1-5H3;1H/q+1;/p-1",KNDHRUPPBXRELB-UHFFFAOYSA-M
BMGC_DG14859,BMG_DG185671,CN1[C@@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)F)C(=O)OC,,"InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14-,15+/m1/s1",QUSLQENMLDRCTO-TUVASFSCSA-N
BMGC_DG14860,BMG_DG185736,COC1=CC=CC(=C1O)CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4S3,N(S(=O)(=O)c1ccc(cc1)NCc2c(O)c(OC)ccc2)c3nc4c(s3)cccc4,"InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)",OWHBVKBNNRYMIN-UHFFFAOYSA-N
BMGC_DG14861,BMG_DG185745,,[nH]1c2[C@H](CCCc2c3cc(ccc31)Cl)C(=O)N,,FUZYTVDVLBBXDL-VIFPVBQESA-N
BMGC_DG14862,BMG_DG185747,,[nH]1c2[C@@H](CCCc2c3cc(ccc31)Cl)C(=O)N,,FUZYTVDVLBBXDL-SECBINFHSA-N
BMGC_DG14863,BMG_DG185748,,c1ccc2c(c1)[nH]c(n2)S,,YHMYGUUIMTVXNW-UHFFFAOYSA-N
BMGC_DG14864,BMG_DG185750,,S=c1[nH]nc(Nc2ccccc2)s1,,BOJLJKMUGYYKCZ-UHFFFAOYSA-N
BMGC_DG14865,BMG_DG185785,CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1,CC(C)C[C@@H]1NC(=O)[C@@]2(CCCN2C1=O)[H],"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9-/m0/s1",SZJNCZMRZAUNQT-IUCAKERBSA-N
BMGC_DG14866,BMG_DG185787,C[C@]12CCC(=O)C=C1CC[C@@H]3C2=CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C,[H][C@]12[C@@](C)([C@@](CC1)(O)C(=O)CO)CC=C3[C@@]2([H])CCC4=CC(=O)CC[C@@]43C,"InChI=1S/C21H28O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h6,11,15,17,22,25H,3-5,7-10,12H2,1-2H3/t15-,17+,19+,20+,21+/m1/s1",BCFCRXOJOFDUMZ-ONKRVSLGSA-N
BMGC_DG14867,BMG_DG185802,CCC1=CC(=C(C=C1)O)O,c1(c(ccc(c1)CC)O)O,"InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3",HFLGBNBLMBSXEM-UHFFFAOYSA-N
BMGC_DG14868,BMG_DG185810,,c1cc2cnccc2c(c1)N,,DTVYNUOOZIKEEX-UHFFFAOYSA-N
BMGC_DG14869,BMG_DG185813,,c1ccccc1-n2nccc2,,WITMXBRCQWOZPX-UHFFFAOYSA-N
BMGC_DG14870,BMG_DG185814,CN(C)CCOC1=CC=CC=C1CC2=CC=CC=C2,c1(Cc2ccccc2)c(OCCN(C)C)cccc1,"InChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3",IZRPKIZLIFYYKR-UHFFFAOYSA-N
BMGC_DG14871,BMG_DG185818,C=CCC1=CC(=C(C=C1)O)O,C=CCc1cc(c(cc1)O)O,"InChI=1S/C9H10O2/c1-2-3-7-4-5-8(10)9(11)6-7/h2,4-6,10-11H,1,3H2",FHEHIXJLCWUPCZ-UHFFFAOYSA-N
BMGC_DG14872,BMG_DG185827,CC[PH+](CC)CC.CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au],,"InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/t10-,11-,12+,13-,14+;;/m1../s1",IRPYFWIZKIOHQN-XTZHGVARSA-N
BMGC_DG14873,BMG_DG185831,C1[C@H](CN2[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN.C([C@@H](C(=O)O)N)C(=O)O.C([C@@H](C(=O)O)N)C(=O)O,c1c2c(c[nH]c2ccc1)C[C@H]3NC([C@@H](NC([C@]4(N(C([C@@H](NC([C@@H](NC(=O)[C@H](CCCCN)NC3=O)Cc5ccc(OCc6ccccc6)cc5)=O)Cc7ccccc7)=O)C[C@@H](C4)OC(=O)NCCN)[H])=O)c8ccccc8)=O.OC(=O)[C@H](CC(=O)O)N.OC(=O)[C@H](CC(=O)O)N,"InChI=1S/C58H66N10O9.2C4H7NO4/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45;2*5-2(4(8)9)1-3(6)7/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72);2*2H,1,5H2,(H,6,7)(H,8,9)/t43-,46+,47+,48-,49+,50+,51+;2*2-/m100/s1",NEEFMPSSNFRRNC-HQUONIRXSA-N
BMGC_DG14874,BMG_DG185839,,,,
BMGC_DG14875,BMG_DG185842,CCC(C)CCCCC(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC(C(C)O)C(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCNCS(=O)(=O)[O-])CC(C)C)CC(C)C)CCNCS(=O)(=O)[O-])CCNCS(=O)(=O)[O-])C(C)O,,"InChI=1S/C58H110N16O28S5/c1-9-35(6)12-10-11-13-46(77)65-38(14-20-59-28-103(88,89)90)53(82)74-48(37(8)76)58(87)70-41(17-23-62-31-106(97,98)99)50(79)68-43-19-25-64-57(86)47(36(7)75)73-54(83)42(18-24-63-32-107(100,101)102)67-49(78)39(15-21-60-29-104(91,92)93)69-55(84)44(26-33(2)3)72-56(85)45(27-34(4)5)71-52(81)40(66-51(43)80)16-22-61-30-105(94,95)96/h33-45,47-48,59-63,75-76H,9-32H2,1-8H3,(H,64,86)(H,65,77)(H,66,80)(H,67,78)(H,68,79)(H,69,84)(H,70,87)(H,71,81)(H,72,85)(H,73,83)(H,74,82)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)/p-5",BSSIRFLGSWHWDE-UHFFFAOYSA-I
BMGC_DG14876,BMG_DG185846,C1CCN(C1)C(=O)[C@@H]2C[C@@H](CN2C(=O)CCCC3=CC=CC=C3)N4C=C(N=N4)C5=CC=C(C=C5)F,,"InChI=1S/C27H30FN5O2/c28-22-13-11-21(12-14-22)24-19-33(30-29-24)23-17-25(27(35)31-15-4-5-16-31)32(18-23)26(34)10-6-9-20-7-2-1-3-8-20/h1-3,7-8,11-14,19,23,25H,4-6,9-10,15-18H2/t23-,25-/m0/s1",LGXNBGWSOROIQH-ZCYQVOJMSA-N
BMGC_DG14877,BMG_DG185857,C1COCCN1C(=O)C2=CN=C3N2C=C(C=C3)C4=CC5=C(C=C4)OC(=N5)N,c12ccc(cn1c(cn2)C(=O)N3CCOCC3)-c4cc5c(cc4)oc(n5)N,"InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)",BLGWHBSBBJNKJO-UHFFFAOYSA-N
BMGC_DG14878,BMG_DG185868,C1COCCN1CCCS(=O)(=O)O,O=S(=O)(O)CCCN1CCOCC1,"InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)",DVLFYONBTKHTER-UHFFFAOYSA-N
BMGC_DG14879,BMG_DG185870,CC1=CC2=CC3=C(C=C(C(=C3)C)N)N=C2C=C1N,c12c(nc3cc(N)c(cc3c1)C)cc(N)c(c2)C,"InChI=1S/C15H15N3/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16/h3-7H,16-17H2,1-2H3",HGHJYCKSBMCGRK-UHFFFAOYSA-N
BMGC_DG14880,BMG_DG185876,C1CCC(CC1)NCCCS(=O)(=O)O,O=S(=O)(O)CCCNC1CCCCC1,"InChI=1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13)",PJWWRFATQTVXHA-UHFFFAOYSA-N
BMGC_DG14881,BMG_DG185880,C1CC(C1)(C2=CC=C(C=C2)C3=C(N4C(=N3)C=CC(=N4)C(=O)N)C5=CC=CC=C5)N,c12ccc(nn1c(c(n2)-c3ccc(cc3)C4(CCC4)N)-c5ccccc5)C(=O)N,"InChI=1S/C23H21N5O/c24-22(29)18-11-12-19-26-20(21(28(19)27-18)16-5-2-1-3-6-16)15-7-9-17(10-8-15)23(25)13-4-14-23/h1-3,5-12H,4,13-14,25H2,(H2,24,29)",JBGYKRAZYDNCNV-UHFFFAOYSA-N
BMGC_DG14882,BMG_DG185882,,c12c(Sc3ccccc3N1)ccc(c2)C(F)(F)F,,RKGYJVASTMCSHZ-UHFFFAOYSA-N
BMGC_DG14883,BMG_DG185883,,C#CC(C)(C)OC(=O)c1ccc(OC)cc1,,WRGOVRZCLGHFFF-UHFFFAOYSA-N
BMGC_DG14884,BMG_DG185886,,Oc1cc(cc(C(C)(C)C)c1)C(C)(C)C,,ZDWSNKPLZUXBPE-UHFFFAOYSA-N
BMGC_DG14885,BMG_DG185892,,,,
BMGC_DG14886,BMG_DG185893,,CCCCn1c(=O)n(C)c2ncn(C)c2c1=O,,ZCUPBJOZMPROIJ-UHFFFAOYSA-N
BMGC_DG14887,BMG_DG185895,,c1([nH]c2c(cccc2)c(c3c1cccc3)=O)=O,,USJALFVAJSYMSN-UHFFFAOYSA-N
BMGC_DG14888,BMG_DG185896,,O=C(c1ccccc1)c2c(O)c(O)c(O)cc2,,HTQNYBBTZSBWKL-UHFFFAOYSA-N
BMGC_DG14889,BMG_DG185902,CC1=CC2=C(C=C1N)SC3=CC(=[N+](C)C)C=CC3=N2,[s+]1c2c(cc(c(c2)N)C)nc3c1cc(N(C)C)cc3,"InChI=1S/C15H15N3S/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13/h4-8,16H,1-3H3/p+1",RQNADZJRELIICT-UHFFFAOYSA-N;KZEUBCUXBNEMSQ-UHFFFAOYSA-O
BMGC_DG14890,BMG_DG185906,C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)Cl,c12C(C(C(=O)c2cccc1)c3ccc(cc3)Cl)=O,"InChI=1S/C15H9ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H",NJDUWAXIURWWLN-UHFFFAOYSA-N
BMGC_DG14891,BMG_DG185908,,n1c(cccc1)-c2nc(-c3ncccc3)ccc2,,DRGAZIDRYFYHIJ-UHFFFAOYSA-N
BMGC_DG14892,BMG_DG185924,,Nc1ccc(cc1)-c2nc3ccc(C)cc3s2,,XRTJYEIMLZALBD-UHFFFAOYSA-N
BMGC_DG14893,BMG_DG185934,,N1c2c(ccc(c2)Cl)Sc3c1cccc3,,KFZGLJSYQXZIGP-UHFFFAOYSA-N
BMGC_DG14894,BMG_DG185936,CCC1=NC(=C2C=C(C(=CC2=C1)OC)OC)CC3=CC=CC=C3,c1(c2c(cc(c(c2)OC)OC)cc(n1)CC)Cc3ccccc3,"InChI=1S/C20H21NO2/c1-4-16-11-15-12-19(22-2)20(23-3)13-17(15)18(21-16)10-14-8-6-5-7-9-14/h5-9,11-13H,4,10H2,1-3H3",MYCMTMIGRXJNSO-UHFFFAOYSA-N
BMGC_DG14895,BMG_DG185938,CN1CCCN=C1/C=C/C2=CC=CS2,C=1(N(CCCN1)C)/C=C/c2sccc2,"InChI=1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3/b6-5+",YSAUAVHXTIETRK-AATRIKPKSA-N
BMGC_DG14896,BMG_DG185939,,c12c([nH]c(o1)=S)cc(Cl)cc2,,BOBIZYYFYLLRAH-UHFFFAOYSA-N
BMGC_DG14897,BMG_DG185942,,N#CC(C#N)=C1c2c(-c3ccc([N+]([O-])=O)cc13)c([N+]([O-])=O)cc([N+]([O-])=O)c2,,POJAQDYLPYBBPG-UHFFFAOYSA-N
BMGC_DG14898,BMG_DG185949,C1CN(NC1=O)C2=CC=CC=C2,N1(c2ccccc2)NC(=O)CC1,"InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)",CMCWWLVWPDLCRM-UHFFFAOYSA-N
BMGC_DG14899,BMG_DG185955,,CC(C)C[C@@H](C(=O)NCC(=O)NCC(=O)O)N,,VWHGTYCRDRBSFI-ZETCQYMHSA-N
BMGC_DG14900,BMG_DG185959,CC(=O)N[C@@H](CCC(=O)O)C(=O)O,O=C(N[C@H](C(=O)O)CCC(=O)O)C,"InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1",RFMMMVDNIPUKGG-YFKPBYRVSA-N
BMGC_DG14901,BMG_DG185960,C1CC(CCC1[C@@H](C[C@H]2C3=C(C=CC=C3F)C4=CN=CN24)O)O,C([C@H]1c2c(-c3n1cnc3)cccc2F)[C@@H](O)[C@]4(CC[C@@H](CC4)O)[H],"InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11?,12?,15-,17+/m0/s1",YGACXVRLDHEXKY-WXRXAMBDSA-N;YGACXVRLDHEXKY-LHPNLFKDSA-N
BMGC_DG14902,BMG_DG185978,,,,
BMGC_DG14903,BMG_DG186000,C1=CC=C(C=C1)C2=CC=CC=C2,c1(-c2ccccc2)ccccc1,InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H,ZUOUZKKEUPVFJK-UHFFFAOYSA-N
BMGC_DG14904,BMG_DG186007,C1=CC2=C(C=C1C3=CN=C(C=C3)[18F])NC4=C2C=NC=C4,c1cc2c(cc1-c3cnc(cc3)[18F])[nH]c4c2cncc4,"InChI=1S/C16H10FN3/c17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9,20H/i17-1",GETAAWDSFUCLBS-SJPDSGJFSA-N
BMGC_DG14905,BMG_DG186011,C1CN(CCN1)C2=CC=CC=C2,c1(N2CCNCC2)ccccc1,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N
BMGC_DG14906,BMG_DG186063,C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N,n1c2c(ccc(c2)N)cc3c1cc(N)cc3,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N
BMGC_DG14907,BMG_DG186075,C(CC(=O)C(=O)O)CC(=O)O,C(C(CCCC(=O)O)=O)(=O)O,"InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)",FGSBNBBHOZHUBO-UHFFFAOYSA-N
BMGC_DG14908,BMG_DG186087,,[S+]1([O-])c2ccccc2Nc3c1cccc3,,DSAFSORWJPSMQS-UHFFFAOYSA-N
BMGC_DG14909,BMG_DG186097,,S1(=O)(=O)c2ccccc2Nc3c1cccc3,,ZAYUOSICZWFJSW-UHFFFAOYSA-N
BMGC_DG14910,BMG_DG186100,,O(c1ccc2[nH]c3c(CCNC3C)c2c1)C,,RDUORFDQRFHYBF-UHFFFAOYSA-N
BMGC_DG14911,BMG_DG186102,C1=CC=C(C=C1)C2=CC=C(C=C2)O,c1(-c2ccccc2)ccc(O)cc1,"InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H",YXVFYQXJAXKLAK-UHFFFAOYSA-N
BMGC_DG14912,BMG_DG186105,COC1=CC2=C(C=C1)OC3=CC=CC=C3C2=O,,"InChI=1S/C14H10O3/c1-16-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)17-13/h2-8H,1H3",DVZCOQQFPCMIPO-UHFFFAOYSA-N
BMGC_DG14913,BMG_DG186107,C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O,c1(cc2ccccc2cc1O)C(=O)O,"InChI=1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14)",ALKYHXVLJMQRLQ-UHFFFAOYSA-N
BMGC_DG14914,BMG_DG186108,CC1=C2C3=CC(=C(N=C3)OC)NS(=O)(=O)C4=CC(=C(C=C4)F)C(=O)NCC5=CC=C(S5)C6=NC=NC1=C6S2,n1cnc2-c3ccc(CNC(=O)c4cc(ccc4F)S(=O)(=O)Nc5c(ncc(c5)-c6sc2c1c6C)OC)s3,"InChI=1S/C25H18FN5O4S3/c1-12-20-23-21(30-11-29-20)19-6-3-14(36-19)10-27-24(32)16-8-15(4-5-17(16)26)38(33,34)31-18-7-13(22(12)37-23)9-28-25(18)35-2/h3-9,11,31H,10H2,1-2H3,(H,27,32)",WHJIHZSXTQRCNX-UHFFFAOYSA-N
BMGC_DG14915,BMG_DG186109,,O=C(c1ccc(OC)cc1)C(=O)c2ccc(OC)cc2,,YNANGXWUZWWFKX-UHFFFAOYSA-N
BMGC_DG14916,BMG_DG186122,CC1=C(N=C(N1)NC(=O)C2=C(N=CC(=C2)CNC(=O)C(C)C)C(F)F)C3=CC=C(C=C3)C(F)(F)F,,"InChI=1S/C23H22F5N5O2/c1-11(2)20(34)30-10-13-8-16(18(19(24)25)29-9-13)21(35)33-22-31-12(3)17(32-22)14-4-6-15(7-5-14)23(26,27)28/h4-9,11,19H,10H2,1-3H3,(H,30,34)(H2,31,32,33,35)",BZYSILFNUIGABU-UHFFFAOYSA-N
BMGC_DG14917,BMG_DG186123,C1=CC2=C(C=C1C3=CN=C(C=C3)F)NC4=C2C=NC=C4,c1cc2c(cc1-c3cnc(cc3)F)[nH]c4c2cncc4,"InChI=1S/C16H10FN3/c17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9,20H",GETAAWDSFUCLBS-UHFFFAOYSA-N
BMGC_DG14918,BMG_DG186125,,O=C(Nc1c(OC)cccc1)c2c(O)cc3c(cc(cc3)Br)c2,,JIEINYQEXWLMCU-UHFFFAOYSA-N
BMGC_DG14919,BMG_DG186129,C(C[C@H](C(=O)O)N)CN=C(N)N,C(=N)(NCCC[C@H](C(=O)O)N)N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1",ODKSFYDXXFIFQN-SCSAIBSYSA-N
BMGC_DG14920,BMG_DG186135,C([C@H](C(=O)O)N)O,C([C@H](N)CO)(=O)O,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1",MTCFGRXMJLQNBG-UWTATZPHSA-N
BMGC_DG14921,BMG_DG186136,C1=CC=C2C(=C1)NC3=CC=CC=C3S2,N1c2c(cccc2)Sc3c1cccc3,"InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H",WJFKNYWRSNBZNX-UHFFFAOYSA-N
BMGC_DG14922,BMG_DG186137,C[C@H](C(=O)O)N,C(=O)([C@H](N)C)O,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",QNAYBMKLOCPYGJ-UWTATZPHSA-N
BMGC_DG14923,BMG_DG186139,C(=O)(C(=O)[O-])[O-],C(=O)(C(=O)[O-])[O-],"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2",MUBZPKHOEPUJKR-UHFFFAOYSA-L
BMGC_DG14924,BMG_DG186140,C(C[C@H](C(=O)O)N)CN,C(=O)([C@H](N)CCCN)O,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1",AHLPHDHHMVZTML-SCSAIBSYSA-N
BMGC_DG14925,BMG_DG186149,,C([C@H](C(O)=O)N)c1ccc(cc1)O,,OUYCCCASQSFEME-MRVPVSSYSA-N
BMGC_DG14926,BMG_DG186153,CC1=C(C2=CC=CC=C2C(=C1)OS(=O)(=O)O)OS(=O)(=O)O,S(Oc1c2c(cccc2)c(cc1C)OS(=O)(=O)O)(=O)(=O)O,"InChI=1S/C11H10O8S2/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17/h2-6H,1H3,(H,12,13,14)(H,15,16,17)",JYJGXBHAXCGVHV-UHFFFAOYSA-N
BMGC_DG14927,BMG_DG186164,CCCC(CCC)C(=O)N,NC(C(CCC)CCC)=O,"InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)",OMOMUFTZPTXCHP-UHFFFAOYSA-N
BMGC_DG14928,BMG_DG186173,,c1(-c2ccc(O)cc2)ccc(O)cc1,,VCCBEIPGXKNHFW-UHFFFAOYSA-N
BMGC_DG14929,BMG_DG186181,CCN(CC)CCOC(=O)C(C)(C1=CC=CC=C1)C2=CC=CC=C2,N(CCOC(C(c1ccccc1)(c2ccccc2)C)=O)(CC)CC,"InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3",DIDYGLSKVUKRRP-UHFFFAOYSA-N
BMGC_DG14930,BMG_DG186196,CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSC[C@H](C(=O)O)N)OC)SC2)C(=O)O,N(C(CSC[C@H](C(O)=O)N)=O)[C@@]1(OC)[C@@]2(N(C1=O)C(C(O)=O)=C(CS2)CSc3n(C)nnn3)[H],"InChI=1S/C16H21N7O7S3/c1-22-15(19-20-21-22)33-4-7-3-32-14-16(30-2,13(29)23(14)10(7)12(27)28)18-9(24)6-31-5-8(17)11(25)26/h8,14H,3-6,17H2,1-2H3,(H,18,24)(H,25,26)(H,27,28)/t8-,14-,16+/m1/s1",JSDXOWVAHXDYCU-VXSYNFHWSA-N
BMGC_DG14931,BMG_DG186200,C1=CC(=C(N=C1)[C@H](C2=CC(=C(C=C2)OC(F)(F)F)F)NC(=O)C3=NC=C(C=C3)C(=O)O)F,,"InChI=1S/C20H12F5N3O4/c21-12-2-1-7-26-17(12)16(10-4-6-15(13(22)8-10)32-20(23,24)25)28-18(29)14-5-3-11(9-27-14)19(30)31/h1-9,16H,(H,28,29)(H,30,31)/t16-/m0/s1",QEBYISWYMFIXOZ-INIZCTEOSA-N
BMGC_DG14932,BMG_DG186206,CC(C)(C)NCC(C1=CC(=NO1)Br)O,o1nc(cc1C(O)CNC(C)(C)C)Br,"InChI=1S/C9H15BrN2O2/c1-9(2,3)11-5-6(13)7-4-8(10)12-14-7/h4,6,11,13H,5H2,1-3H3",JBRBWHCVRGURBA-UHFFFAOYSA-N
BMGC_DG14933,BMG_DG186207,C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3,c1cc(-c2ccccc2)ccc1-c3ccccc3,InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H,XJKSTNDFUHDPQJ-UHFFFAOYSA-N
BMGC_DG14934,BMG_DG186212,CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O,N1(C(=O)CCC1)CC(Nc2c(cccc2C)C)=O,"InChI=1S/C14H18N2O2/c1-10-5-3-6-11(2)14(10)15-12(17)9-16-8-4-7-13(16)18/h3,5-6H,4,7-9H2,1-2H3,(H,15,17)",NGHTXZCKLWZPGK-UHFFFAOYSA-N
BMGC_DG14935,BMG_DG186214,CC(=O)NCCCS(=O)(=O)O,S(CCCNC(=O)C)(O)(=O)=O,"InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10)",AFCGFAGUEYAMAO-UHFFFAOYSA-N
BMGC_DG14936,BMG_DG186225,,c1(NC(=O)Nc2cc3c(cc2)nc(cc3N)C)cc4c(nc(cc4N)C)cc1,,HOUSDILKOJMENG-UHFFFAOYSA-N
BMGC_DG14937,BMG_DG186238,O[32P](=O)([O-])[O-].[Na+].[Na+],[O-][32P](O)([O-])=O.[Na+].[Na+],"InChI=1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2/i;;5+1",BNIILDVGGAEEIG-JCIGTKTHSA-L
BMGC_DG14938,BMG_DG186242,C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C,[C@@]12([C@@]([C@@H]3C[C@@H](C[C@H]1[N+]3(C)C)OC([C@@H](c4ccccc4)CO)=O)([H])O2)[H],"InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12?,13-,14-,15+,16-,17+/m1/s1",LZCOQTDXKCNBEE-IKIFYQGPSA-N;LZCOQTDXKCNBEE-XJMZPCNVSA-N
BMGC_DG14939,BMG_DG186243,C1COC2=C(C=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F)C(=O)N1CC4=NC=CC=N4,c1(cc2c(cc1)OCCN(C2=O)Cc3ncccn3)-c4ccc(cc4)OC(F)(F)F,"InChI=1S/C21H16F3N3O3/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19/h1-9,12H,10-11,13H2",YNUAEEJQYHYLMS-UHFFFAOYSA-N
BMGC_DG14940,BMG_DG186244,C1=CC(=CC(=C1)[131I])CN=C(N)N,C(=N)(NCc1cc([131I])ccc1)N,"InChI=1S/C8H10IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)/i9+4",PDWUPXJEEYOOTR-JRGAVVOBSA-N
BMGC_DG14941,BMG_DG186245,,,,
BMGC_DG14942,BMG_DG186247,C1CC12CCN(C(C2)C(=O)NC3(CC3)C4=CC=C(C=C4)C(=O)O)CC5=CC=C(C=C5)C(F)(F)F,C(c1ccc(cc1)C2(CC2)NC(=O)C3CC4(CC4)CCN3Cc5ccc(cc5)C(F)(F)F)(=O)O,"InChI=1S/C26H27F3N2O3/c27-26(28,29)20-5-1-17(2-6-20)16-31-14-13-24(9-10-24)15-21(31)22(32)30-25(11-12-25)19-7-3-18(4-8-19)23(33)34/h1-8,21H,9-16H2,(H,30,32)(H,33,34)",CADWTPLFEZSAHM-UHFFFAOYSA-N
BMGC_DG14943,BMG_DG186249,CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F,c1(c(c2cc(F)c(cc2n(c1)C3CC3)N4CCN(CC4)CC)=O)C(=O)O,"InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)",SPFYMRJSYKOXGV-UHFFFAOYSA-N
BMGC_DG14944,BMG_DG186250,COC1=CC2=CC=CC=C2C=C1,c1ccc2c(c1)cc(cc2)OC,"InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3",LUZDYPLAQQGJEA-UHFFFAOYSA-N
BMGC_DG14945,BMG_DG186254,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.C[C@@H](CC1CCCCC1)NC,C1CC(CCC1)C[C@@H](NC)C.C1(NC(C(C(N1)=O)(c2ccccc2)CC)=O)=O,"InChI=1S/C12H12N2O3.C10H21N/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-9(11-2)8-10-6-4-3-5-7-10/h3-7H,2H2,1H3,(H2,13,14,15,16,17);9-11H,3-8H2,1-2H3/t;9-/m.0/s1",MJCBWPMBFCUHBP-NPULLEENSA-N
BMGC_DG14946,BMG_DG186259,C=O,C=O,InChI=1S/CH2O/c1-2/h1H2,WSFSSNUMVMOOMR-UHFFFAOYSA-N
BMGC_DG14947,BMG_DG186262,CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2,c12c3c4[C@]5(N(CCC[C@]5(CC(n4c1cccc2)=O)CC)CC3)[H];c12c3c4[C@]5(N(CCC[C@]5(CC(n4c2cccc1)=O)CC)CC3)[H],"InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1",WYJAPUKIYAZSEM-MOPGFXCFSA-N
BMGC_DG14948,BMG_DG186272,COC1=C(C=C(C=C1)C(=O)O)OC,COc1c(OC)cc(cc1)C(=O)O,"InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)",DAUAQNGYDSHRET-UHFFFAOYSA-N
BMGC_DG14949,BMG_DG186274,,c1ncc(C(=O)NO)cc1,,IYCHDNQCHLMLJZ-UHFFFAOYSA-N
BMGC_DG14950,BMG_DG186275,C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@H](C(=O)O)N)I)I)O,c1(c(cc(cc1I)C[C@H](C(=O)O)N)I)Oc2cc(I)c(cc2)O,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m1/s1",AUYYCJSJGJYCDS-GFCCVEGCSA-N
BMGC_DG14951,BMG_DG186287,CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C2=CC=CC=C2,C(c1ccccc1)(C#N)(C(C)C)CCCN(C)CCc2ccccc2,"InChI=1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3",DWAWDSVKAUWFHC-UHFFFAOYSA-N
BMGC_DG14952,BMG_DG186290,CC#CC(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5,n1c(c2n(cc1)c(nc2-c3ccc(cc3)C(Nc4ccccn4)=O)[C@H]5N(CCC5)C(C#CC)=O)N,"InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1",WDENQIQQYWYTPO-IBGZPJMESA-N
BMGC_DG14953,BMG_DG186294,C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4=CC(=C(C=C4)C5(CN(C5)C6=NC=CC(=C6)C(=O)O)O)Cl,c1(cc(ncc1)N2CC(C2)(c3ccc(cc3Cl)OCc4c(noc4C5CC5)-c6c(cccc6Cl)Cl)O)C(O)=O,"InChI=1S/C28H22Cl3N3O5/c29-20-2-1-3-21(30)24(20)25-18(26(39-33-25)15-4-5-15)12-38-17-6-7-19(22(31)11-17)28(37)13-34(14-28)23-10-16(27(35)36)8-9-32-23/h1-3,6-11,15,37H,4-5,12-14H2,(H,35,36)",KZSKGLFYQAYZCO-UHFFFAOYSA-N
BMGC_DG14954,BMG_DG186307,CC(CNC(=O)C1=CN=CC=C1)NC(=O)C2=CN=CC=C2,n1cccc(c1)C(=O)NCC(NC(c2cccnc2)=O)C,"InChI=1S/C15H16N4O2/c1-11(19-15(21)13-5-3-7-17-10-13)8-18-14(20)12-4-2-6-16-9-12/h2-7,9-11H,8H2,1H3,(H,18,20)(H,19,21)",KTXBOOWDLPUROC-UHFFFAOYSA-N
BMGC_DG14955,BMG_DG186314,C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2C3=C(N=CC=C3)N(C1=O)CCO)NC(=O)CCC(F)(F)F,C1([C@H](c2c(-c3c(N1CCO)nccc3)cccc2)NC([C@@H](NC(CCC(F)(F)F)=O)C)=O)=O,"InChI=1S/C22H23F3N4O4/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32)/t13-,18-/m0/s1",YCBAQKQAINQRFW-UGSOOPFHSA-N
BMGC_DG14956,BMG_DG186315,C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN,OP(O)(C(P(O)(O)=O)(CCCCCN)O)=O,"InChI=1S/C6H17NO7P2/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14)",PUUSSSIBPPTKTP-UHFFFAOYSA-N
BMGC_DG14957,BMG_DG186317,C[C@@H]1CC[C@H](C[C@H]1O)NC2=NC(=NC=C2C(=O)N)NC(C)(C)C,n1c(nc(c(c1)C(N)=O)N[C@H]2C[C@H]([C@@H](CC2)C)O)NC(C)(C)C,"InChI=1S/C16H27N5O2/c1-9-5-6-10(7-12(9)22)19-14-11(13(17)23)8-18-15(20-14)21-16(2,3)4/h8-10,12,22H,5-7H2,1-4H3,(H2,17,23)(H2,18,19,20,21)/t9-,10-,12-/m1/s1",QBBRJRLJWXRSHQ-CKYFFXLPSA-N
BMGC_DG14958,BMG_DG186318,,c1([nH]c2ccccc2o1)=S,,FLFWJIBUZQARMD-UHFFFAOYSA-N
BMGC_DG14959,BMG_DG186320,C1=CC=C2C(=C1)C=CC(=N2)C(=O)O,c12c(ccc(n1)C(O)=O)cccc2,"InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)",LOAUVZALPPNFOQ-UHFFFAOYSA-N
BMGC_DG14960,BMG_DG186323,,N[C@H](C(=O)O)CC1CCCCC1,,ORQXBVXKBGUSBA-QMMMGPOBSA-N
BMGC_DG14961,BMG_DG186324,C[C@H](C1=CC=CC2=CC=CC=C21)N[C@H]3CCN(C3)C4=CC=C(C=C4)CC(=O)O,[C@H](c1cccc2ccccc21)(C)N[C@H]3CCN(c4ccc(CC(=O)O)cc4)C3,"InChI=1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1",RZNUIYPHQFXBAN-XLIONFOSSA-N
BMGC_DG14962,BMG_DG186327,C1[C@H](N([C@H](S1)C2=CC=CC=C2O)C(=O)CCS)C(=O)O,C(CS)C(=O)N1[C@@H](c2c(cccc2)O)SC[C@H]1C(O)=O,"InChI=1S/C13H15NO4S2/c15-10-4-2-1-3-8(10)12-14(11(16)5-6-19)9(7-20-12)13(17)18/h1-4,9,12,15,19H,5-7H2,(H,17,18)/t9-,12+/m0/s1",BSHDUMDXSRLRBI-JOYOIKCWSA-N
BMGC_DG14963,BMG_DG186332,CC1=CC(=C(C=C1N2C=C(N=C2)C3CC3)C(=O)NC4=CC=CC(=N4)C5=NN=CN5C(C)C)F,C(c1c(cc(c(c1)-n2cc(nc2)C3CC3)C)F)(=O)Nc4cccc(n4)-c5nncn5C(C)C,"InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33)",YIDDLAAKOYYGJG-UHFFFAOYSA-N
BMGC_DG14964,BMG_DG186333,CS(=O)(=O)NC1=C(C=C2C(=C1)CCC2=O)OC3=C(C=C(C=C3)F)F,CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Oc3ccc(cc3F)F,"InChI=1S/C16H13F2NO4S/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3",CXJONBHNIJFARE-UHFFFAOYSA-N
BMGC_DG14965,BMG_DG186336,CCC(C)(C)NCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O,c1c(OCC(O)CNC(C)(C)CC)c(C(CCc2ccccc2)=O)ccc1,"InChI=1S/C23H31NO3/c1-4-23(2,3)24-16-19(25)17-27-22-13-9-8-12-20(22)21(26)15-14-18-10-6-5-7-11-18/h5-13,19,24-25H,4,14-17H2,1-3H3",VDKMYSMWQCFYBQ-UHFFFAOYSA-N
BMGC_DG14966,BMG_DG186349,CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)OCC2=CC=C(S2)CN3CCCC4=C3C(=CC=C4)OC,,"InChI=1S/C28H29NO4S/c1-3-6-22(17-27(30)31)20-10-12-23(13-11-20)33-19-25-15-14-24(34-25)18-29-16-5-8-21-7-4-9-26(32-2)28(21)29/h4,7,9-15,22H,5,8,16-19H2,1-2H3,(H,30,31)/t22-/m0/s1",VJVDLRVFJTVWEO-QFIPXVFZSA-N
BMGC_DG14967,BMG_DG186353,,c12cc(ccc2scn1)Nc3c4c(ncn3)cc(c(S(C(C)(C)C)(=O)=O)c4)OCCO,,UHDOJINBFLDQJM-UHFFFAOYSA-N
BMGC_DG14968,BMG_DG186356,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)(C)F)C)O)(C)O,O1[C@@](O[C@@H]2[C@@H](C)C(=O)O[C@H](CC)[C@](C)([C@@H]([C@H](C(=O)[C@](C)(C[C@@](C)(O)[C@H](O[C@@]3(O[C@@H](C[C@@H]([C@H]3O)N(C)C)C)[H])[C@H]2C)F)C)O)O)(C[C@@](OC)([C@@H](O)[C@@H]1C)C)[H],"InChI=1S/C37H66FNO13/c1-14-24-37(10,46)29(42)21(5)28(41)34(7,38)17-35(8,45)31(52-33-26(40)23(39(11)12)15-18(2)48-33)19(3)27(20(4)32(44)50-24)51-25-16-36(9,47-13)30(43)22(6)49-25/h18-27,29-31,33,40,42-43,45-46H,14-17H2,1-13H3/t18-,19+,20-,21+,22+,23+,24-,25+,26-,27+,29-,30+,31-,33+,34+,35-,36-,37-/m1/s1",XOEUHCONYHZURQ-HNUBZJOYSA-N
BMGC_DG14969,BMG_DG186361,,Oc1c(OC)cc2c([C@@]3([H])Cc4ccc(OC)c(OC)c4CN3CC2)c1,,KDFKJOFJHSVROC-MRXNPFEDSA-N
BMGC_DG14970,BMG_DG186366,CC(C)N=CNC1=CC=C(C=C1)C2=CN=CN2,c1(ccc(/N=C/NC(C)C)cc1)-c2[nH]cnc2,"InChI=1S/C13H16N4/c1-10(2)15-9-16-12-5-3-11(4-6-12)13-7-14-8-17-13/h3-10H,1-2H3,(H,14,17)(H,15,16)",GOZUADYOHPCXLE-UHFFFAOYSA-N
BMGC_DG14971,BMG_DG186368,CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN(C)C)C=C1,C(CN(C)C)(=O)N1c2ccccc2CCc3c1cc(cc3)NC(=O)OCC,"InChI=1S/C21H25N3O3/c1-4-27-21(26)22-17-12-11-16-10-9-15-7-5-6-8-18(15)24(19(16)13-17)20(25)14-23(2)3/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,22,26)",KJAMZCVTJDTESW-UHFFFAOYSA-N
BMGC_DG14972,BMG_DG186375,,c1(c(sc(c2c1CCCC2)=S)N)C#N,,ZTVYCPUACCAUGH-UHFFFAOYSA-N
BMGC_DG14973,BMG_DG186377,,Cc1c(cccc1NC(=O)c2cc(cc3c2[nH]c(COC)n3)NC(=O)c4ccccc4C(F)(F)F)Cl,,ZPONWJXTHMDOSV-UHFFFAOYSA-N
BMGC_DG14974,BMG_DG186380,C1CN(CCC1CC#N)C2=NC3=C(C(=O)NN=C3)C(=N2)NC4=CC=C(C=C4)N5CCC(CC5)O,N(c1ccc(N2CCC(O)CC2)cc1)c3nc(N4CCC(CC#N)CC4)nc5cn[nH]c(=O)c53,"InChI=1S/C24H28N8O2/c25-10-5-16-6-11-32(12-7-16)24-28-20-15-26-30-23(34)21(20)22(29-24)27-17-1-3-18(4-2-17)31-13-8-19(33)9-14-31/h1-4,15-16,19,33H,5-9,11-14H2,(H,30,34)(H,27,28,29)",NLFLXLJXEIUQDL-UHFFFAOYSA-N
BMGC_DG14975,BMG_DG186381,COC1=C(C=C(C=C1)CC=C)OC,c1c(ccc(c1OC)OC)CC=C,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",ZYEMGPIYFIJGTP-UHFFFAOYSA-N
BMGC_DG14976,BMG_DG186383,C1=CC(=CC=C1CCC2=CC(=O)C(=O)NN2)C(F)(F)F,C(c1ccc(C(F)(F)F)cc1)Cc2n[nH]c(=O)c(O)c2,"InChI=1S/C13H11F3N2O2/c14-13(15,16)9-4-1-8(2-5-9)3-6-10-7-11(19)12(20)18-17-10/h1-2,4-5,7H,3,6H2,(H,17,19)(H,18,20)",QBQMUMMSYHUDFM-UHFFFAOYSA-N
BMGC_DG14977,BMG_DG186384,CC1=CN=C(C=C1)[C@H]2C[C@@H]2COC3=NC(=NC(=C3)NCC4=NN=C(S4)C)C,c1(nc(cc(n1)OC[C@@H]2[C@H](C2)c3ccc(cn3)C)NCc4sc(nn4)C)C,"InChI=1S/C19H22N6OS/c1-11-4-5-16(20-8-11)15-6-14(15)10-26-18-7-17(22-12(2)23-18)21-9-19-25-24-13(3)27-19/h4-5,7-8,14-15H,6,9-10H2,1-3H3,(H,21,22,23)/t14-,15+/m1/s1",WQKPZDLZRFTMTI-CABCVRRESA-N
BMGC_DG14978,BMG_DG186465,CC(CCCC(C)(C)O)C1CCC2[C@@]1(CCCC2=CC=C3CC(CC(C3=C)O)O)C,,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/t18?,22?,23?,24?,25?,27-/m1/s1",GMRQFYUYWCNGIN-KHYGNENRSA-N
BMGC_DG14979,BMG_DG186545,,,,
BMGC_DG14980,BMG_DG186550,C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O,,"InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2",KOHIRBRYDXPAMZ-UHFFFAOYSA-N
BMGC_DG14981,BMG_DG186567,C[C@@]1(CCCN2[C@@H]1C3=C(CC2)C4=CC=CC=C4O3)COC,COC[C@@]1(C)CCCN2CCc3c([C@@]21[H])oc4ccccc43,"InChI=1S/C18H23NO2/c1-18(12-20-2)9-5-10-19-11-8-14-13-6-3-4-7-15(13)21-16(14)17(18)19/h3-4,6-7,17H,5,8-12H2,1-2H3/t17-,18-/m1/s1",OCUKPFWNSAAHRP-QZTJIDSGSA-N
BMGC_DG14982,BMG_DG186575,CCCCCN1C2=CC=CC=C2C(=N1)C(=O)N[C@@H](C(C)C)C(=O)N,c1cccc2c1c(C(N[C@H](C(=O)N)C(C)C)=O)nn2CCCCC,"InChI=1S/C18H26N4O2/c1-4-5-8-11-22-14-10-7-6-9-13(14)16(21-22)18(24)20-15(12(2)3)17(19)23/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3,(H2,19,23)(H,20,24)/t15-/m0/s1",GIMHPAQOAAZSHS-HNNXBMFYSA-N
BMGC_DG14983,BMG_DG186581,,C(OC(N[C@H](Cc1cc2c(cc1)cccc2)C(O)=O)=O)C3c4c(-c5c3cccc5)cccc4,,JYUTZJVERLGMQZ-AREMUKBSSA-N
BMGC_DG14984,BMG_DG186582,CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CC6=CNC7=CC=CC=C76)C(=O)N,,"InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)",SWXOGPJRIDTIRL-UHFFFAOYSA-N
BMGC_DG14985,BMG_DG186583,[CH3-].CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co],,"InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;-1;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",LTQFDFMSKDNADX-WZHZPDAFSA-L
BMGC_DG14986,BMG_DG186603,CCNC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC.CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O,,"InChI=1S/C13H24N4O3S.C12H21N3O5S3/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h10,14,18H,4-9H2,1-3H3;7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)",YPIMJBXEIGRISS-UHFFFAOYSA-N
BMGC_DG14987,BMG_DG186618,CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2.C(S(=O)(=O)[O-])(I)I.[Na+],,"InChI=1S/C15H16Cl3N3O2.CH2I2O3S.Na/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;2-1(3)7(4,5)6;/h3,5,8-10H,2,4,6-7H2,1H3;1H,(H,4,5,6);/q;;+1/p-1",MIXCUJKCXRNYFM-UHFFFAOYSA-M
BMGC_DG14988,BMG_DG186621,C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CNC=N2)N)O,,"InChI=1S/C130H220N44O40/c1-60(2)43-81(120(208)173-100(66(13)14)103(134)191)153-95(183)54-149-106(194)77(31-35-92(132)180)159-116(204)84(46-63(7)8)166-118(206)85(47-64(9)10)164-111(199)75(29-23-41-146-129(139)140)155-113(201)79(32-36-93(133)181)160-117(205)83(45-62(5)6)162-110(198)73(27-21-39-144-127(135)136)154-104(192)67(15)152-94(182)53-148-107(195)78(33-37-97(185)186)158-109(197)74(28-22-40-145-128(137)138)156-115(203)82(44-61(3)4)163-112(200)76(30-24-42-147-130(141)142)157-122(210)90(57-176)170-119(207)86(48-65(11)12)165-114(202)80(34-38-98(187)188)161-123(211)91(58-177)171-126(214)102(69(17)179)174-121(209)87(49-70-25-19-18-20-26-70)168-125(213)101(68(16)178)172-96(184)55-150-108(196)88(51-99(189)190)167-124(212)89(56-175)169-105(193)72(131)50-71-52-143-59-151-71/h18-20,25-26,52,59-69,72-91,100-102,175-179H,21-24,27-51,53-58,131H2,1-17H3,(H2,132,180)(H2,133,181)(H2,134,191)(H,143,151)(H,148,195)(H,149,194)(H,150,196)(H,152,182)(H,153,183)(H,154,192)(H,155,201)(H,156,203)(H,157,210)(H,158,197)(H,159,204)(H,160,205)(H,161,211)(H,162,198)(H,163,200)(H,164,199)(H,165,202)(H,166,206)(H,167,212)(H,168,213)(H,169,193)(H,170,207)(H,171,214)(H,172,184)(H,173,208)(H,174,209)(H,185,186)(H,187,188)(H,189,190)(H4,135,136,144)(H4,137,138,145)(H4,139,140,146)(H4,141,142,147)/t67-,68+,69+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,100-,101-,102-/m0/s1",OWMZNFCDEHGFEP-NFBCVYDUSA-N
BMGC_DG14989,BMG_DG186654,,c12c(n(CCCCC)cc1C(NC34CC5CC(CC(C5)C3)C4)=O)cccc2,,MDJYHWLDDJBTMX-UHFFFAOYSA-N
BMGC_DG14990,BMG_DG186672,,c1ccc(c2n(cc(c12)C(=O)N[C@@H]3C([C@@H]4CC[C@]3(C4)C)(C)C)CCN5CCOCC5)OC,,VQGDMQICNRCQEH-UFKXBGGNSA-N
BMGC_DG14991,BMG_DG186712,CCC1(CC2=CC=CC=C2C1)C3=CN=CN3,[nH]1cncc1C2(Cc3c(C2)cccc3)CC,"InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)",HSWPZIDYAHLZDD-UHFFFAOYSA-N
BMGC_DG14992,BMG_DG186715,CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2C(C2(C)C)C=C(C)C)C/C=C/C=C.CC1=C(C(=O)CC1OC(=O)[C@@H]2C(C2(C)C)/C=C(\C)/C(=O)OC)C/C=C/C=C,,"InChI=1S/C22H28O5.C21H28O3/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+;9-8+/t16?,18?,19-;16?,18-,19-/m00/s1",VXSIXFKKSNGRRO-YWUDCVDHSA-N
BMGC_DG14993,BMG_DG186868,CC1=CC=C(C=C1)C2=C(C=NN2C)C3=NN(C4=C3C(=NC=N4)N5CC[C@@H](C5)N6CCCCC6)C,c1nc2c(c(n1)N3C[C@H](CC3)N4CCCCC4)c(nn2C)-c5cnn(c5-c6ccc(cc6)C)C,"InChI=1S/C26H32N8/c1-18-7-9-19(10-8-18)24-21(15-29-31(24)2)23-22-25(32(3)30-23)27-17-28-26(22)34-14-11-20(16-34)33-12-5-4-6-13-33/h7-10,15,17,20H,4-6,11-14,16H2,1-3H3/t20-/m0/s1",WDWIMDKOXZZYHH-FQEVSTJZSA-N
BMGC_DG14994,BMG_DG186891,,C(CCCN1CCC(CC1)(O)c2ccc(cc2)Cl)(=O)c3c(cccc3)F,,URVMQMKGIVIILI-UHFFFAOYSA-N
BMGC_DG14995,BMG_DG187072,C1CC2=CC=CC=C2N(C(=O)[C@H]1N[C@@H](CCCCN)C(=O)O)CC(=O)O,N1(C([C@@H](N[C@H](C(=O)O)CCCCN)CCc2c1cccc2)=O)CC(=O)O,"InChI=1S/C18H25N3O5/c19-10-4-3-6-14(18(25)26)20-13-9-8-12-5-1-2-7-15(12)21(17(13)24)11-16(22)23/h1-2,5,7,13-14,20H,3-4,6,8-11,19H2,(H,22,23)(H,25,26)/t13-,14-/m0/s1",AXTCRUUITQKBAV-KBPBESRZSA-N
BMGC_DG14996,BMG_DG187073,,c1c(-c2oc(c(n2)C)COC(C(=O)O)(C)C)ccc(Cl)c1,,LNXXSBRGLBOASF-UHFFFAOYSA-N
BMGC_DG14997,BMG_DG187096,CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C,S(Nc1ccc(cc1)CCN(CCOc2ccc(NS(=O)(=O)C)cc2)C)(=O)(=O)C,"InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3",IXTMWRCNAAVVAI-UHFFFAOYSA-N
BMGC_DG14998,BMG_DG187116,C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CN4C=NC=[N+]4C3)C(=O)[O-])[C@@H](C)O,C1(N2C(=C([C@@H]([C@]2([H])[C@]1([C@@H](C)O)[H])C)SC3C[n+]4n(C3)cnc4)C([O-])=O)=O,"InChI=1S/C15H18N4O4S/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)24-9-3-17-5-16-6-18(17)4-9/h5-11,20H,3-4H2,1-2H3/t7-,8-,10-,11-/m1/s1",MRMBZHPJVKCOMA-YJFSRANCSA-N
BMGC_DG14999,BMG_DG187138,CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)C(=O)NC(C(C)O)C(=O)N,,"InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)",PUDHBTGHUJUUFI-UHFFFAOYSA-N
BMGC_DG15000,BMG_DG187145,CC1=CC=CN2C1=NC(=C(C2=O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C,c1(noc2c1ccc(F)c2)C3CCN(CC3)CCc4c(nc5n(c4=O)cccc5C)C,"InChI=1S/C24H25FN4O2/c1-15-4-3-10-29-23(15)26-16(2)19(24(29)30)9-13-28-11-7-17(8-12-28)22-20-6-5-18(25)14-21(20)31-27-22/h3-6,10,14,17H,7-9,11-13H2,1-2H3",ZZQNEJILGNNOEP-UHFFFAOYSA-N
BMGC_DG15001,BMG_DG187154,CN(C)[C@@H](CCOC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3,N(C)(C)[C@@H](CCOc1cccc2ccccc12)c3ccccc3,"InChI=1S/C21H23NO/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21/h3-14,20H,15-16H2,1-2H3/t20-/m0/s1",USRHYDPUVLEVMC-FQEVSTJZSA-N
BMGC_DG15002,BMG_DG187157,CC(C)(C(=O)O)OCC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3,n1(nc(COC(C(=O)O)(C)C)c2c1cccc2)Cc3ccccc3,"InChI=1S/C19H20N2O3/c1-19(2,18(22)23)24-13-16-15-10-6-7-11-17(15)21(20-16)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)",MTHORRSSURHQPZ-UHFFFAOYSA-N
BMGC_DG15003,BMG_DG187165,,c12n(c(=O)n(c(c1nc([nH]2)N)=O)CC3CC3)CC4CC4,,KSPYMJJKQMWWNB-UHFFFAOYSA-N
BMGC_DG15004,BMG_DG187186,CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC,n1c(c2ccc(cc2o1)F)C3CCN(CC3)CCCOc4c(cc(cc4)C(=O)C)OC,"InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3",XMXHEBAFVSFQEX-UHFFFAOYSA-N
BMGC_DG15005,BMG_DG187205,C1CC[C@H]2[C@@H](C1)CC(N2C(=O)C3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CS5)NC(=O)CNC(=O)C6C[C@H](CN6C(=O)C7CCCN7C(=O)C(CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,,"InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38?,39-,40-,41-,42-,43?,44?,45?,46?/m0/s1",QURWXBZNHXJZBE-MCDGZUPGSA-N
BMGC_DG15006,BMG_DG187210,,COS([O-])(=O)=O.C1CC(CC[N+]1(C)C)OC(C(C(C)CC)c2ccccc2)=O,,YGURFDXYQNOJCS-UHFFFAOYSA-M
BMGC_DG15007,BMG_DG187214,[Na+].[131I-],[131I-].[Na+],InChI=1S/HI.Na/h1H;/q;+1/p-1/i1+4;,FVAUCKIRQBBSSJ-LAIFMVDKSA-M
BMGC_DG15008,BMG_DG187222,C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)[O-])N)I)I)O.C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)[O-])N.[Na+].[Na+],,"InChI=1S/C15H11I4NO4.C15H12I3NO4.2Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);1-4,6,12,20H,5,19H2,(H,21,22);;/q;;2*+1/p-2/t2*12-;;/m00../s1",LKYWLLWWYBVUPP-XOCLESOZSA-L
BMGC_DG15009,BMG_DG187240,,c12c(cc(C)cc1)nc(C)cc2,,QXKPLNCZSFACPU-UHFFFAOYSA-N
BMGC_DG15010,BMG_DG187247,C[C@@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,N1(CC(=O)NC(C1)=O)[C@H](CN2CC(=O)NC(C2)=O)C,"InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1",BMKDZUISNHGIBY-ZETCQYMHSA-N
BMGC_DG15011,BMG_DG187249,CCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)C)C)C(=O)CCl,C=1C(=O)C=C2[C@](C1)([C@@]3([C@](CC2)([H])[C@@]4(C[C@@H]([C@@]([C@]4(CC3=O)C)(C(CCl)=O)OC(CCC)=O)C)[H])F)C,"InChI=1S/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3/t15-,18-,19-,23-,24-,25-,26-/m0/s1",FBRAWBYQGRLCEK-AVVSTMBFSA-N
BMGC_DG15012,BMG_DG187250,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3(C(=O)C[C@@]2([C@]1(C(=O)CCl)O)C)F)C,C=1C(=O)C=C2[C@](C1)([C@@]3([C@](CC2)([H])[C@@]4(C[C@@H]([C@@]([C@]4(CC3=O)C)(C(CCl)=O)O)C)[H])F)C,"InChI=1S/C22H26ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-16,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19-,20-,21-,22-/m0/s1",XXIFVOHLGBURIG-OZCCCYNHSA-N
BMGC_DG15013,BMG_DG187251,CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O.C=O.C1CO1,,"InChI=1S/C14H22O.C2H4O.CH2O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-2-3-1;1-2/h6-9,15H,10H2,1-5H3;1-2H2;1H2",MDYZKJNTKZIUSK-UHFFFAOYSA-N
BMGC_DG15014,BMG_DG187258,CCCCCC(CC(=O)CCC1=CC(=C(C=C1)OC)OC)O,,"InChI=1S/C18H28O4/c1-4-5-6-7-15(19)13-16(20)10-8-14-9-11-17(21-2)18(12-14)22-3/h9,11-12,15,19H,4-8,10,13H2,1-3H3",CTGAPJBPSCUFRO-UHFFFAOYSA-N
BMGC_DG15015,BMG_DG187261,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)C(=O)O)C,N12[C@@]([C@H](NC([C@@H](C=3CC=CCC3)N)=O)C1=O)(SC([C@@H]2C(=O)O)(C)C)[H],"InChI=1S/C16H21N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-4,7,9-11,14H,5-6,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1",RPBAFSBGYDKNRG-NJBDSQKTSA-N
BMGC_DG15016,BMG_DG187272,C[C@H](CC1=CC(=C(C=C1)O)O)[C@@H](C)CC2=CC(=C(C=C2)O)O,c1(c(ccc(c1)C[C@H]([C@H](Cc2cc(O)c(cc2)O)C)C)O)O,"InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+",HCZKYJDFEPMADG-TXEJJXNPSA-N
BMGC_DG15017,BMG_DG187301,CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)CCC(=O)OCCO)C,,"InChI=1S/C35H58O6/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-20-35(8)21-19-30-29(7)33(27(5)28(6)34(30)41-35)40-32(38)18-17-31(37)39-23-22-36/h24-26,36H,9-23H2,1-8H3",AOBORMOPSGHCAX-UHFFFAOYSA-N
BMGC_DG15018,BMG_DG187302,,n1(c(ncc1[N+]([O-])=O)C)CCOC(=O)N,,JOVXEDBYAWFQQX-UHFFFAOYSA-N
BMGC_DG15019,BMG_DG187317,C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)OC(=O)C)C)O)F)C)F,[C@]12([C@@]3([C@@]([C@@]4(C[C@H](C)[C@@]([C@]4(C[C@@H]3O)C)(C(COC(=O)C)=O)OC(=O)C)[H])([H])C[C@@H](C1=CC(C=C2)=O)F)F)C,"InChI=1S/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(31)6-7-23(19,4)25(18,28)21(32)11-24(17,5)26(13,35-15(3)30)22(33)12-34-14(2)29/h6-7,9,13,17-18,20-21,32H,8,10-12H2,1-5H3/t13-,17-,18-,20-,21-,23-,24-,25-,26-/m0/s1",BOBLHFUVNSFZPJ-JOYXJVLSSA-N
BMGC_DG15020,BMG_DG187319,C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F,[C@]12([C@@]3([C@@]([C@@]4(C[C@H](C)[C@@]([C@]4(C[C@@H]3O)C)(C(CO)=O)O)[H])([H])C[C@@H](C1=CC(C=C2)=O)F)F)C,"InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1",WXURHACBFYSXBI-XHIJKXOTSA-N
BMGC_DG15021,BMG_DG187321,,Cc1oc(cc1)[C@@H]2CCCN2,,LGGXPKQFJZIICN-QMMMGPOBSA-N
BMGC_DG15022,BMG_DG187322,,Cc1oc(cc1)[C@H]2CCCN2,,LGGXPKQFJZIICN-MRVPVSSYSA-N
BMGC_DG15023,BMG_DG187326,,OC(c1cc2occc2[nH]1)=O,,MMAIBGHDBYQYDI-UHFFFAOYSA-N
BMGC_DG15024,BMG_DG187378,,CSc1ccc(C(=O)O)s1,,FWFWUSLBIIIIEN-UHFFFAOYSA-N
BMGC_DG15025,BMG_DG187418,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OC4C5=CC=CC=C5C(=O)O4)C,[C@H]1(C(=O)N2[C@@]1(SC([C@@H]2C(OC3OC(c4c3cccc4)=O)=O)(C)C)[H])NC([C@H](N)c5ccccc5)=O,"InChI=1S/C24H23N3O6S/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28)/t15-,16-,17+,20-,23?/m1/s1",SOROUYSPFADXSN-SUWVAFIASA-N
BMGC_DG15026,BMG_DG187453,,[C@H]12[C@H]([C@H](C[C@H](CC1)N2CCF)c3ccc(cc3)Cl)C(=O)OC,,YYXOKPOCUHEGJE-JJXSEGSLSA-N
BMGC_DG15027,BMG_DG187454,,C(=O)(c1cn(c2ccccc12)CCCCC)c3ccc(c4ccccc34)Br,,GRWSWDKSCZKGSY-UHFFFAOYSA-N
BMGC_DG15028,BMG_DG187455,,C(=O)(c1cn(c2ccccc12)CCCCC)c3ccc(c4ccccc34)F,,HDWMKVHXWFNFQW-UHFFFAOYSA-N
BMGC_DG15029,BMG_DG187456,CC1=NN(C=C1C2=NC3=NC=C(C(=C3N2)N4CCN(CC4)CC5=CC=C(C=C5)Cl)Cl)C,n1c2c(N3CCN(CC3)Cc4ccc(Cl)cc4)c(cnc2[nH]c1-c5c(C)nn(c5)C)Cl,"InChI=1S/C22H23Cl2N7/c1-14-17(13-29(2)28-14)21-26-19-20(18(24)11-25-22(19)27-21)31-9-7-30(8-10-31)12-15-3-5-16(23)6-4-15/h3-6,11,13H,7-10,12H2,1-2H3,(H,25,26,27)",AKJBLKUZXRMECW-UHFFFAOYSA-N
BMGC_DG15030,BMG_DG187457,,O([C@@H](CC([O-])=O)C[N+](C)(C)C)C(CCCCCCCCC)=O,,LZOSYCMHQXPBFU-HNNXBMFYSA-N
BMGC_DG15031,BMG_DG187459,,C1C(C1)n2c3c(c(N4C[C@]([H])([C@H](C)NC)CC4)c(cc3c(c(c2)C(=O)O)=O)F)OC,,SUQUWONDIBHQOZ-NWDGAFQWSA-N
BMGC_DG15032,BMG_DG187470,,S(N(CC)CC)(=O)(=O)c1cc(Nc2nc(ccn2)-c3cc(ncc3)-c4ccc(NC(NC)=O)cc4)ccc1Cl,,RZFJBSIAXYEPBX-UHFFFAOYSA-N
BMGC_DG15033,BMG_DG187474,,Cc1cc(n(n1)-c2ccccc2)N3CCN(CC3)[C@@H]4C[C@@H](C(=O)N5CCSC5)NC4,,WGRQANOPCQRCME-UXHICEINSA-N
BMGC_DG15034,BMG_DG187475,,Cc1cc(n(n1)-c2ccccc2)N3CCN(CC3)[C@@H]4C[C@H](C(=O)N5CCSC5)NC4,,WGRQANOPCQRCME-WOJBJXKFSA-N
BMGC_DG15035,BMG_DG187480,COC1=C(C=CC(=C1C2CCN(CC2)C3=C(C4=NN=C(N4C=C3)CC5CC5)Cl)F)F,n1nc(n2ccc(N3CCC(CC3)c4c(F)ccc(F)c4OC)c(Cl)c21)CC5CC5,"InChI=1S/C22H23ClF2N4O/c1-30-21-16(25)5-4-15(24)19(21)14-6-9-28(10-7-14)17-8-11-29-18(12-13-2-3-13)26-27-22(29)20(17)23/h4-5,8,11,13-14H,2-3,6-7,9-10,12H2,1H3",OXFCYNMUHYQEJB-UHFFFAOYSA-N
BMGC_DG15036,BMG_DG187524,CC1=C(C(=NN1)C)CCCOC2=C(C=CC(=C2)C(=O)O)F,C(c1cc(c(cc1)F)OCCCc2c(n[nH]c2C)C)(=O)O,"InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)",WBFUHHBPNXWNCC-UHFFFAOYSA-N
BMGC_DG15037,BMG_DG187537,CC(COC1=CC=CC=C1)NN,CC(COc1ccccc1)NN,"InChI=1S/C9H14N2O/c1-8(11-10)7-12-9-5-3-2-4-6-9/h2-6,8,11H,7,10H2,1H3",QNEXFJFTGQBXBJ-UHFFFAOYSA-N
BMGC_DG15038,BMG_DG187541,C1CC1C2=C(N=C(S2)C3=NC=CS3)C(=O)NCCCCC(=O)NO,,"InChI=1S/C15H18N4O3S2/c20-10(19-22)3-1-2-6-16-13(21)11-12(9-4-5-9)24-15(18-11)14-17-7-8-23-14/h7-9,22H,1-6H2,(H,16,21)(H,19,20)",MVJAEZIEZVJAFM-UHFFFAOYSA-N
BMGC_DG15039,BMG_DG187542,,c1cc2n(nc1O[C@@H](CN)C)c(cn2)-c3cc4c(o3)cccc4,,CMDIADSAZCFCCT-LLVKDONJSA-N
BMGC_DG15040,BMG_DG187545,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O.C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O,[C@@H]1([C@@H]([C@H]([C@@H](O)[C@@H](CO)O1)O)O)O[C@@]([H])([C@H](O)[C@H](C(O)=O)O)[C@H](O)CO.[C@]1([C@@H]([C@@H](N(C)C)C[C@H](O1)C)O)(O[C@@H]2[C@H]([C@@H]([C@H](C(O[C@H](CC)[C@]([C@@H]([C@H](C([C@@H](C[C@]2(O)C)C)=O)C)O)(O)C)=O)C)O[C@]3(C[C@](OC)(C)[C@H]([C@@H](O3)C)O)[H])C)[H],"InChI=1S/C37H67NO13.C12H22O12/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;3-10,12-20H,1-2H2,(H,21,22)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;3-,4-,5+,6+,7-,8-,9-,10-,12+/m11/s1",NNRXCKZMQLFUPL-WBMZRJHASA-N
BMGC_DG15041,BMG_DG187547,CCC(C1=CC=CC=C1)O,c1(C(O)CC)ccccc1,"InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3",DYUQAZSOFZSPHD-UHFFFAOYSA-N
BMGC_DG15042,BMG_DG187555,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+],[Na+].[O-]C(CC(CC([O-])=O)(O)C(=O)[O-])=O.O.[Na+].[Na+].O,"InChI=1S/C6H8O7.3Na.2H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;2*1H2/q;3*+1;;/p-3",NLJMYIDDQXHKNR-UHFFFAOYSA-K
BMGC_DG15043,BMG_DG187558,CC(C)[C@@H](C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C3=NC4=C(N3)C=C(C=C4)C5=C6CCC7=CC(=C(CCC(=C5)C=C6)C=C7)C8=CC9=C(C=C8)N=C(N9)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC,C([C@@H](NC(OC)=O)C(C)C)(=O)N1[C@H](c2[nH]c3c(ccc(c3)-c4c5CCc6cc(-c7cc8c(nc([nH]8)[C@H]9N(C([C@@H](NC(OC)=O)C(C)C)=O)[C@]%10([H])[C@](CCCC%10)([H])C9)cc7)c(CCc(cc5)c4)cc6)n2)C[C@@]%11([H])[C@@]1(CCCC%11)[H],"InChI=1S/C60H72N8O6/c1-33(2)53(65-59(71)73-5)57(69)67-49-13-9-7-11-41(49)31-51(67)55-61-45-25-23-39(29-47(45)63-55)43-27-35-15-19-37(43)21-17-36-16-20-38(22-18-35)44(28-36)40-24-26-46-48(30-40)64-56(62-46)52-32-42-12-8-10-14-50(42)68(52)58(70)54(34(3)4)66-60(72)74-6/h15-16,19-20,23-30,33-34,41-42,49-54H,7-14,17-18,21-22,31-32H2,1-6H3,(H,61,63)(H,62,64)(H,65,71)(H,66,72)/t41-,42-,49-,50-,51-,52-,53-,54-/m0/s1",LSYBRGMTRKJATA-IVEWBXRVSA-N
BMGC_DG15044,BMG_DG187562,CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=NN=C5N4C=CC=C5,c1(C#Cc2c(C)ccc(c2)C(Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)=O)n5c(nn1)cccc5,"InChI=1S/C29H27F3N6O/c1-20-6-7-22(17-21(20)9-11-27-35-34-26-5-3-4-12-38(26)27)28(39)33-24-10-8-23(25(18-24)29(30,31)32)19-37-15-13-36(2)14-16-37/h3-8,10,12,17-18H,13-16,19H2,1-2H3,(H,33,39)",SLIVDYMORZGPLW-UHFFFAOYSA-N
BMGC_DG15045,BMG_DG187571,C=CC(=O)N1CCC(CC1)CNC2=NC=NC(=C2C3=CC=C(C=C3)OC4=CC=CC=C4)N,n1c(c(c(nc1)N)-c2ccc(cc2)Oc3ccccc3)NCC4CCN(CC4)C(C=C)=O,"InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)",QUIWHXQETADMGN-UHFFFAOYSA-N
BMGC_DG15046,BMG_DG187574,C1=CN=C(C=N1)NNC(=O)/C=C\N2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F,C(/C=C\n1nc(nc1)-c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(=O)NNc3cnccn3,"InChI=1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1-",DEVSOMFAQLZNKR-RJRFIUFISA-N
BMGC_DG15047,BMG_DG187576,CC(C)C[C@@H](C(=O)N[C@@H](CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2=CC=CC=C2,c1cccc(c1)COC(N[C@H](C(N[C@H](C(O)S(=O)(=O)O)CC2CCNC2=O)=O)CC(C)C)=O,"InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15?,16-,17-,20?/m0/s1",BSPZFJDYQHDZNR-ASPXRTSYSA-N
BMGC_DG15048,BMG_DG187585,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O,O1[C@@H]([C@H]([C@@H]([C@@]1(O[C@@H]2[C@H](O)[C@H]([C@@H](Cl)[C@@H](CO)O2)O)CCl)O)O)CCl,"InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1",BAQAVOSOZGMPRM-QBMZZYIRSA-N
BMGC_DG15049,BMG_DG187590,,N(C)Cc1ccc(-c2oc3c(cc(cc3c2)F)C(N)=O)cc1,,ROBJKLPZIPNAMV-UHFFFAOYSA-N
BMGC_DG15050,BMG_DG187595,C[N+]1(CCCCC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N,C1CCCC[N+]1(C)CCC(c2ccccc2)(c3ccccc3)C(N)=O,"InChI=1S/C22H28N2O/c1-24(16-9-4-10-17-24)18-15-22(21(23)25,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H-,23,25)/p+1",QDIYJDPBMZUZEH-UHFFFAOYSA-O
BMGC_DG15051,BMG_DG187608,C[C@H]([C@@H](C)OC1=NC(=NC=C1C(F)(F)F)NC2=CC=C(C=C2)[S@](=N)(=O)C3CC3)O,C1C([S@@](c2ccc(Nc3ncc(C(F)(F)F)c(O[C@H](C)[C@H](O)C)n3)cc2)(=N)=O)C1,"InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29+/m1/s1",UELYDGOOJPRWGF-SRQXXRKNSA-N
BMGC_DG15052,BMG_DG187614,CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC,Cn1cc(c2c1cccc2)-c3nc(Nc4c(OC)cc(c(c4)NC(C=C)=O)N(CCN(C)C)C)ncc3,"InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)",DUYJMQONPNNFPI-UHFFFAOYSA-N
BMGC_DG15053,BMG_DG187615,,Cn1cc(c2c1cccc2)-c3nc(Nc4c(OC)cc(c(c4)NC(C=C)=O)N(CCNC)C)ncc3,,ZROCWKZRGJYPTG-UHFFFAOYSA-N
BMGC_DG15054,BMG_DG187616,CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CNC4=CC=CC=C43)OC,[nH]1cc(c2c1cccc2)-c3nc(Nc4c(OC)cc(c(c4)NC(C=C)=O)N(CCN(C)C)C)ncc3,"InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32)",IQNVEOMHJHBNHC-UHFFFAOYSA-N
BMGC_DG15055,BMG_DG187625,,N1(CCc2c(CC1)cc3c(c2)sc(n3)N)Cc4cnn(c4)C,,MGAPVOBBWDUNPY-UHFFFAOYSA-N
BMGC_DG15056,BMG_DG187640,CC(C)N1C2=CC=CC=C2C(=N1)C3=NN=C(O3)C4CCN(CC4)CCCOC,n1(nc(c2ccccc12)-c3oc(nn3)C4CCN(CC4)CCCOC)C(C)C,"InChI=1S/C21H29N5O2/c1-15(2)26-18-8-5-4-7-17(18)19(24-26)21-23-22-20(28-21)16-9-12-25(13-10-16)11-6-14-27-3/h4-5,7-8,15-16H,6,9-14H2,1-3H3",DWTFBJGTRBMHPG-UHFFFAOYSA-N
BMGC_DG15057,BMG_DG187643,C[C@H]1[C@H]2N([C@H](C(=O)N1CC3=CC=CC4=C3N=CC=C4)CC5=CC=C(C=C5)OP(=O)(O)O)C(=O)CN(N2C(=O)NCC6=CC=CC=C6)C,C([C@@H]1N2[C@]([C@@H](N(C1=O)Cc3c4c(ccc3)cccn4)C)(N(N(CC2=O)C)C(NCc5ccccc5)=O)[H])c6ccc(cc6)OP(=O)(O)O,"InChI=1S/C33H35N6O7P/c1-22-31-38(29(40)21-36(2)39(31)33(42)35-19-24-8-4-3-5-9-24)28(18-23-13-15-27(16-14-23)46-47(43,44)45)32(41)37(22)20-26-11-6-10-25-12-7-17-34-30(25)26/h3-17,22,28,31H,18-21H2,1-2H3,(H,35,42)(H2,43,44,45)/t22-,28-,31-/m0/s1",VHOZWHQPEJGPCC-AZXNYEMZSA-N
BMGC_DG15058,BMG_DG187645,COC(=O)C1=CN=CC=C1,C(c1cnccc1)(=O)OC,"InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3",YNBADRVTZLEFNH-UHFFFAOYSA-N
BMGC_DG15059,BMG_DG187656,C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H](CSSC[C@@H](C(=O)O)N)NC(=O)C,S(C[C@H](N)C(=O)O)SC[C@@H](NC(=O)C)C(N[C@H](C)C(N[C@H](CCCNC(=N)N)C(N[C@H](CCCNC(=N)N)C(N[C@H](CCCNC(=N)N)C(N[C@H](C)C(N[C@H](CCCNC(=N)N)C(N)=O)=O)=O)=O)=O)=O)=O,"InChI=1S/C38H73N21O10S2/c1-18(28(62)56-22(27(40)61)8-4-12-49-35(41)42)53-30(64)23(9-5-13-50-36(43)44)58-32(66)25(11-7-15-52-38(47)48)59-31(65)24(10-6-14-51-37(45)46)57-29(63)19(2)54-33(67)26(55-20(3)60)17-71-70-16-21(39)34(68)69/h18-19,21-26H,4-17,39H2,1-3H3,(H2,40,61)(H,53,64)(H,54,67)(H,55,60)(H,56,62)(H,57,63)(H,58,66)(H,59,65)(H,68,69)(H4,41,42,49)(H4,43,44,50)(H4,45,46,51)(H4,47,48,52)/t18-,19-,21+,22-,23-,24-,25-,26-/m1/s1",ANIAZGVDEUQPRI-ZJQCGQFWSA-N
BMGC_DG15060,BMG_DG187679,CC1=CC(=CC(=C1)C(=O)NOCCCCCC(=O)NO)C,,"InChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)",VRYZCEONIWEUAV-UHFFFAOYSA-N
BMGC_DG15061,BMG_DG187683,C=CC(=O)N1CC/C(=C\C2=CC(=C(C=C2)F)[N+](=O)[O-])/C(=O)/C(=C/C3=CC(=C(C=C3)F)[N+](=O)[O-])/C1,C/1(\C(/C(/CCN(C1)C(C=C)=O)=C/c2cc(c(cc2)F)[N+](=O)[O-])=O)=C/c3ccc(c(c3)[N+]([O-])=O)F,"InChI=1S/C23H17F2N3O6/c1-2-22(29)26-8-7-16(9-14-3-5-18(24)20(11-14)27(31)32)23(30)17(13-26)10-15-4-6-19(25)21(12-15)28(33)34/h2-6,9-12H,1,7-8,13H2/b16-9+,17-10+",SCKXBVLYWLLALY-CZCYGEDCSA-N
BMGC_DG15062,BMG_DG187686,,Oc1c(OC)ccc2c1CN3CCc4cc5OCOc5cc4[C@@]3([H])C2,,PQECCKIOFCWGRJ-OAHLLOKOSA-N
BMGC_DG15063,BMG_DG187688,CCC1=C(C(=NC(=N1)N)N)C#CC(C)C2=CC(=CC(=C2)C3=CC=NC=C3)OC,,"InChI=1S/C22H23N5O/c1-4-20-19(21(23)27-22(24)26-20)6-5-14(2)16-11-17(13-18(12-16)28-3)15-7-9-25-10-8-15/h7-14H,4H2,1-3H3,(H4,23,24,26,27)",KEPLBUUTAQCZOE-UHFFFAOYSA-N
BMGC_DG15064,BMG_DG187700,COC1=C2C(=CC(=C1N3C[C@@H]([C@@H](C3)F)CNC4CC4)F)C(=O)C(=CN2CCF)C(=O)O,O(c1c(N2C[C@@H](F)[C@@H](CNC3CC3)C2)c(F)cc4c(c(C(=O)O)cn(CCF)c41)=O)C,"InChI=1S/C21H24F3N3O4/c1-31-20-17-13(19(28)14(21(29)30)9-26(17)5-4-22)6-15(23)18(20)27-8-11(16(24)10-27)7-25-12-2-3-12/h6,9,11-12,16,25H,2-5,7-8,10H2,1H3,(H,29,30)/t11-,16+/m0/s1",ZFIOCUITTUUVPV-MEDUHNTESA-N
BMGC_DG15065,BMG_DG187705,CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O,OC(=O)C(Oc1c(cc(cc1)Cl)C)C,"InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)",WNTGYJSOUMFZEP-UHFFFAOYSA-N
BMGC_DG15066,BMG_DG187709,C1=CC(=NC=C1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F,C(=O)(O)[C@H](CCC(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1cnc(cc1)F)C(=O)O,"InChI=1S/C18H23FN4O8/c19-13-6-4-10(9-21-13)15(26)20-8-2-1-3-11(16(27)28)22-18(31)23-12(17(29)30)5-7-14(24)25/h4,6,9,11-12H,1-3,5,7-8H2,(H,20,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t11-,12-/m0/s1",OLWVRJUNLXQDSP-RYUDHWBXSA-N
BMGC_DG15067,BMG_DG187714,C1=CC(=CC=C1C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C#CC4=CN=C(C=C4)N)C(F)(F)F,Nc1ccc(cn1)C#Cc2cnn3c(cc(nc32)-c4ccc(cc4)C(F)(F)F)C(F)(F)F,"InChI=1S/C21H11F6N5/c22-20(23,24)15-6-4-13(5-7-15)16-9-17(21(25,26)27)32-19(31-16)14(11-30-32)3-1-12-2-8-18(28)29-10-12/h2,4-11H,(H2,28,29)",DMJHZVARRXJSEG-UHFFFAOYSA-N
BMGC_DG15068,BMG_DG187716,CN1C=C(C=N1)NC2=NC3=C(C(=CN3)Cl)C(=N2)OC[C@H]4CN(C[C@@H]4OC)C(=O)C=C,n1c(c2c(nc1Nc3cnn(c3)C)[nH]cc2Cl)OC[C@@H]4[C@H](CN(C4)C(C=C)=O)OC,"InChI=1S/C19H22ClN7O3/c1-4-15(28)27-7-11(14(9-27)29-3)10-30-18-16-13(20)6-21-17(16)24-19(25-18)23-12-5-22-26(2)8-12/h4-6,8,11,14H,1,7,9-10H2,2-3H3,(H2,21,23,24,25)/t11-,14+/m1/s1",ODMXWZROLKITMS-RISCZKNCSA-N
BMGC_DG15069,BMG_DG187718,CCC(=O)N[C@@H]1CCCC2=C1C=NC=C2C3=CC4=C(C=C3)N(C(=O)CC4)C,N(C(CC)=O)[C@H]1c2c(c(cnc2)-c3cc4c(cc3)N(C)C(CC4)=O)CCC1,"InChI=1S/C22H25N3O2/c1-3-21(26)24-19-6-4-5-16-17(12-23-13-18(16)19)14-7-9-20-15(11-14)8-10-22(27)25(20)2/h7,9,11-13,19H,3-6,8,10H2,1-2H3,(H,24,26)/t19-/m1/s1",VDEUDSRUMNAXJG-LJQANCHMSA-N
BMGC_DG15070,BMG_DG187730,C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2C4=CC(=CN=C4)F)CCC5=C3C=CC(=C5)C(=O)N(C)CCC(=O)O,c1c(cc2c(c1)[C@@]3([C@@](CC2)([C@]4([C@](CC3)(C(=CC4)c5cc(cnc5)F)C)[H])[H])[H])C(N(CCC(O)=O)C)=O,"InChI=1S/C28H31FN2O3/c1-28-11-9-22-21-5-4-18(27(34)31(2)12-10-26(32)33)13-17(21)3-6-23(22)25(28)8-7-24(28)19-14-20(29)16-30-15-19/h4-5,7,13-16,22-23,25H,3,6,8-12H2,1-2H3,(H,32,33)/t22-,23-,25+,28-/m1/s1",JFRWOHRGXFCADF-XVTSZCMISA-N
BMGC_DG15071,BMG_DG187731,,O=C(CCN1CCN(Cc2ccccc2)CC1)Nc3nc(cs3)-c4ccccc4,,DTIQJBUDKQVBLT-UHFFFAOYSA-N
BMGC_DG15072,BMG_DG187732,CC(C)C(=O)NC1=NC(=CS1)C2=C(C=C(C=C2)O)O,Oc1cc(O)ccc1-c2csc(NC(=O)C(C)C)n2,"InChI=1S/C13H14N2O3S/c1-7(2)12(18)15-13-14-10(6-19-13)9-4-3-8(16)5-11(9)17/h3-7,16-17H,1-2H3,(H,14,15,18)",WIDNAJNXDPHROL-UHFFFAOYSA-N
BMGC_DG15073,BMG_DG187733,C1CC(CCC1N)N[C@@H]2C[C@H]2C3=CC=CC=C3,N([C@@H]1C[C@H]1c2ccccc2)[C@@]3([H])CC[C@H](N)CC3,"InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m0/s1",ALHBJBCQLJZYON-ZQDZILKHSA-N;ALHBJBCQLJZYON-PFSRBDOWSA-N
BMGC_DG15074,BMG_DG187737,CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC[N+](CC4)(C)COP(=O)(O)[O-],N(c1cnc(N2CC[N+](C)(COP(O)([O-])=O)CC2)cc1-c3ccccc3C)(C)C(=O)C(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)(C)C,"InChI=1S/C31H35F6N4O5P/c1-20-8-6-7-9-24(20)25-17-27(40-10-12-41(5,13-11-40)19-46-47(43,44)45)38-18-26(25)39(4)28(42)29(2,3)21-14-22(30(32,33)34)16-23(15-21)31(35,36)37/h6-9,14-18H,10-13,19H2,1-5H3,(H-,43,44,45)",HZIYEEMJNBKMJH-UHFFFAOYSA-N
BMGC_DG15075,BMG_DG187740,,c1c(Br)cnc2nc(N3CC(C3)NC)c4n(c12)cnn4,,MMVBKZHQTLDYKG-UHFFFAOYSA-N
BMGC_DG15076,BMG_DG187741,,N(C(Nc1c2c(c(Oc3nc(Nc4ccccc4)ncc3)cc1)cccc2)=O)c5n(nc(C(C)(C)C)c5)-c6ccc(C)cc6,,DBXJNQABFNNKPN-UHFFFAOYSA-N
BMGC_DG15077,BMG_DG187744,CN1CCN(C(=O)C1)C2=CC=CC3=C2CCN([C@@H]3C(=O)NC4=CC=C(C=C4)C(=O)O)C(=O)/C=C/C5=C(C=CC(=C5F)Cl)N6C=NN=N6,C(c1ccc(cc1)NC(=O)[C@H]2N(CCc3c(cccc23)N4C(CN(CC4)C)=O)C(/C=C/c5c(c(ccc5-n6nnnc6)Cl)F)=O)(=O)O,"InChI=1S/C32H28ClFN8O5/c1-39-15-16-40(28(44)17-39)25-4-2-3-22-21(25)13-14-41(30(22)31(45)36-20-7-5-19(6-8-20)32(46)47)27(43)12-9-23-26(42-18-35-37-38-42)11-10-24(33)29(23)34/h2-12,18,30H,13-17H2,1H3,(H,36,45)(H,46,47)/b12-9+/t30-/m0/s1",WYFCZWSWFGJODV-MIANJLSGSA-N
BMGC_DG15078,BMG_DG187752,,N1(CCN(CC1)C(c2ccc(cc2)-n3c(cc(n3)-c4ccc(cc4)C(=O)O)-c5cc(cc(c5)C(C)(C)C)C(C)(C)C)=O)C,,YVXYHNKIOFSFMZ-UHFFFAOYSA-N
BMGC_DG15079,BMG_DG187758,CN1C=C(C=N1)C2=CC3=C(C=C2)N(C=N3)C4=CC(=CC(=C4)NS(=O)(=O)C5CC5)C6=C(C=C(C=C6)F)F,S(=O)(=O)(Nc1cc(-n2c3c(nc2)cc(cc3)-c4cn(nc4)C)cc(c1)-c5c(F)cc(F)cc5)C6CC6,"InChI=1S/C26H21F2N5O2S/c1-32-14-18(13-30-32)16-2-7-26-25(10-16)29-15-33(26)21-9-17(23-6-3-19(27)11-24(23)28)8-20(12-21)31-36(34,35)22-4-5-22/h2-3,6-15,22,31H,4-5H2,1H3",ZJFCBQXPTQSTCZ-UHFFFAOYSA-N
BMGC_DG15080,BMG_DG187765,CN(CCCN1C2=C(C=C(C=C2)CNC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)N=N1)C5CCC(CC5)OC(=O)C(C6=CC=CS6)(C7=CC=CS7)O,c1(cccs1)C(C(=O)O[C@H]2CC[C@@H](CC2)N(C)CCCn3nnc4c3ccc(c4)CNC[C@H](O)c5c6ccc([nH]c6c(cc5)O)=O)(c7cccs7)O,"InChI=1S/C38H42N6O6S2/c1-43(25-8-10-26(11-9-25)50-37(48)38(49,33-5-2-19-51-33)34-6-3-20-52-34)17-4-18-44-30-14-7-24(21-29(30)41-42-44)22-39-23-32(46)27-12-15-31(45)36-28(27)13-16-35(47)40-36/h2-3,5-7,12-16,19-21,25-26,32,39,45-46,49H,4,8-11,17-18,22-23H2,1H3,(H,40,47)/t25?,26?,32-/m0/s1",ZNKWRAKPQQZLNX-FFJARJNZSA-N;ZNKWRAKPQQZLNX-ZDQHWEPJSA-N
BMGC_DG15081,BMG_DG187769,CC1=C(C(=NC(=N1)N)N)C#CC(C)C2=CC(=CC(=C2)C3=CC=NC=C3)OC,,"InChI=1S/C21H21N5O/c1-13(4-5-19-14(2)25-21(23)26-20(19)22)16-10-17(12-18(11-16)27-3)15-6-8-24-9-7-15/h6-13H,1-3H3,(H4,22,23,25,26)",ULSWBNKDTMSHNY-UHFFFAOYSA-N
BMGC_DG15082,BMG_DG187771,CC1=C(SC(=N1)NC)C2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N,Cc1c(sc(NC)n1)-c2nc(Nc3cc(S(N)(=O)=O)ccc3)ncc2F,"InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)",GAIOPWBQKZMUNO-UHFFFAOYSA-N
BMGC_DG15083,BMG_DG187772,,[C@H](N)(C(=O)O)C(C)C,,KZSNJWFQEVHDMF-SCSAIBSYSA-N
BMGC_DG15084,BMG_DG187773,C[C@H](CC#C[C@@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C,,"InChI=1S/C36H52O3/c1-23(6-4-8-30(37)22-36-19-26-14-27(20-36)16-28(15-26)21-36)31-11-12-32-29(7-5-13-35(31,32)3)10-9-25-17-33(38)24(2)34(39)18-25/h9-10,23,26-28,30-34,37-39H,2,5-7,11-22H2,1,3H3/b29-10+/t23-,26?,27?,28?,30+,31-,32+,33-,34-,35-,36?/m1/s1",UFJLHOSCLNTAFF-BNRYCDLCSA-N
BMGC_DG15085,BMG_DG187779,CC1=CC(=C(C=C1)C(=O)N2CCOC[C@H]2CC3=CC(=CC=C3)N4N=CC=N4)N5N=CC=N5,C(=O)(N1[C@@H](COCC1)Cc2cc(ccc2)-n3nccn3)c4c(cc(cc4)C)-n5nccn5,"InChI=1S/C23H23N7O2/c1-17-5-6-21(22(13-17)30-26-9-10-27-30)23(31)28-11-12-32-16-20(28)15-18-3-2-4-19(14-18)29-24-7-8-25-29/h2-10,13-14,20H,11-12,15-16H2,1H3/t20-/m1/s1",GKPHAIOJCHBZCT-HXUWFJFHSA-N
BMGC_DG15086,BMG_DG187781,CCCCOC1=C(C=C(C=C1OC)C(=O)NCC2(CCOCC2)N(C)C)OC,C1C(CCOC1)(CNC(c2cc(c(c(c2)OC)OCCCC)OC)=O)N(C)C,"InChI=1S/C21H34N2O5/c1-6-7-10-28-19-17(25-4)13-16(14-18(19)26-5)20(24)22-15-21(23(2)3)8-11-27-12-9-21/h13-14H,6-12,15H2,1-5H3,(H,22,24)",JQUVQWMHZSYCRQ-UHFFFAOYSA-N
BMGC_DG15087,BMG_DG187782,,c1ccc(cc1)C[C@H](C(=O)O)N,,COLNVLDHVKWLRT-MRVPVSSYSA-N
BMGC_DG15088,BMG_DG187794,COC1=C(C=C(C=C1)Cl)C2=CC(=O)NC(=S)N2CC(=O)N,C(Cn1c(cc([nH]c1=S)=O)-c2c(ccc(c2)Cl)OC)(=O)N,"InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)",ICYNYWFGIDGBRD-UHFFFAOYSA-N
BMGC_DG15089,BMG_DG187797,CC#CC(=O)N1CC[C@H](C1)N2C3=NC=NC(=C3N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N.Cl,Cl.c1(c2c(ncn1)n(c(n2-c3ccc(cc3)Oc4ccccc4)=O)[C@@H]5CCN(C5)C(C#CC)=O)N,"InChI=1S/C25H22N6O3.ClH/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19;/h3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28);1H/t18-;/m1./s1",UQYDCIJFACDXSG-GMUIIQOCSA-N
BMGC_DG15090,BMG_DG187799,,NC(=O)c1ccc(F)cc1,,VNDHYTGVCGVETQ-UHFFFAOYSA-N
BMGC_DG15091,BMG_DG187823,C1=CC=NC(=C1)CC(=O)NC2=NN=C(S2)CCCCC3=NN=C(C=C3)NC(=O)CC4=CC(=CC=C4)OC(F)(F)F,C(Cc1ccccn1)(=O)Nc2sc(nn2)CCCCc3ccc(nn3)NC(Cc4cc(ccc4)OC(F)(F)F)=O,"InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)",PRAAPINBUWJLGA-UHFFFAOYSA-N
BMGC_DG15092,BMG_DG187954,CC1=CC=C(C=C1)C2=C(C(=O)N[C@@](C2)(C3=CC=C(C=C3)OCCCC(F)(F)F)C(F)(F)F)C4=NNN=N4,Cc1ccc(cc1)C2=C(c3nnn[nH]3)C(=O)N[C@@](C2)(c4ccc(OCCCC(F)(F)F)cc4)C(F)(F)F,"InChI=1S/C24H21F6N5O2/c1-14-3-5-15(6-4-14)18-13-22(24(28,29)30,31-21(36)19(18)20-32-34-35-33-20)16-7-9-17(10-8-16)37-12-2-11-23(25,26)27/h3-10H,2,11-13H2,1H3,(H,31,36)(H,32,33,34,35)/t22-/m0/s1",AEMPUAWUDAMJBV-QFIPXVFZSA-N
BMGC_DG15093,BMG_DG187957,,C(=C/c1ccc(OC)cc1)\C(/C=C/c2ccc(OC)cc2)=O,,IOZVKDXPBWBUKY-LQIBPGRFSA-N
BMGC_DG15094,BMG_DG187959,CCN1C2=CC(=NC=C2C=C(C1=O)C3=CC(=C(C=C3Br)F)NC(=O)NC4=CC=CC=C4)NC,c1(cc2c(n(c1=O)CC)cc(nc2)NC)-c3cc(c(cc3Br)F)NC(Nc4ccccc4)=O,"InChI=1S/C24H21BrFN5O2/c1-3-31-21-12-22(27-2)28-13-14(21)9-17(23(31)32)16-10-20(19(26)11-18(16)25)30-24(33)29-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,27,28)(H2,29,30,33)",CEFJVGZHQAGLHS-UHFFFAOYSA-N
BMGC_DG15095,BMG_DG187986,O.[O-2].[O-2].[O-2].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.[Al+3].[Al+3],[Si](=O)=O.O.[Al+3].[O-2].[Al+3].[O-2].[O-2].[Si](=O)=O.[Si](=O)=O.[Si](=O)=O;O.[Al+3].[O-2].[Si](=O)=O.[O-2].[O-2].[Si](=O)=O.[Si](=O)=O.[Si](=O)=O.[Al+3],InChI=1S/2Al.4O2Si.H2O.3O/c;;4*1-3-2;;;;/h;;;;;;1H2;;;/q2*+3;;;;;;3*-2,GUJOJGAPFQRJSV-UHFFFAOYSA-N
BMGC_DG15096,BMG_DG188118,CC(=O)OC1=CC=CC=C1C(=O)O.[O-2].[O-2].[O-2].[Al+3].[Al+3],c1ccc(OC(=O)C)c(C(O)=O)c1.[Al+3].[O-2].[Al+3].[O-2].[O-2],"InChI=1S/C9H8O4.2Al.3O/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;;;;;/h2-5H,1H3,(H,11,12);;;;;/q;2*+3;3*-2",MXCPYJZDGPQDRA-UHFFFAOYSA-N
BMGC_DG15097,BMG_DG188130,,,,
BMGC_DG15098,BMG_DG188194,CC(=O)NCC(=O)O.C(C(Cl)(Cl)Cl)(O)O,C(C(O)O)(Cl)(Cl)Cl.C(NCC(=O)O)(=O)C,"InChI=1S/C4H7NO3.C2H3Cl3O2/c1-3(6)5-2-4(7)8;3-2(4,5)1(6)7/h2H2,1H3,(H,5,6)(H,7,8);1,6-7H",SULCNWZLMZPENK-UHFFFAOYSA-N
BMGC_DG15099,BMG_DG188280,C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Cr+3],[Cr+3].OC[C@@H](O)[C@H]([C@@H]([C@H](C([O-])=O)O)O)O.OC[C@@H](O)[C@H]([C@@H]([C@H](C([O-])=O)O)O)O.OC[C@@H](O)[C@H]([C@@H]([C@H](C([O-])=O)O)O)O,"InChI=1S/3C6H12O7.Cr/c3*7-1-2(8)3(9)4(10)5(11)6(12)13;/h3*2-5,7-11H,1H2,(H,12,13);/q;;;+3/p-3/t3*2-,3-,4+,5-;/m111./s1",ANPGUZATXCGJJH-OPDGVEILSA-K
BMGC_DG15100,BMG_DG188356,C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.O.O.[Mg+2],[Mg+2].OC[C@@H](O)[C@@H](O)[C@@H]([C@H](C([O-])=O)O)O.O.OC[C@@H](O)[C@@H](O)[C@@H]([C@H](C([O-])=O)O)O.O,"InChI=1S/2C6H12O7.Mg.2H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;/h2*2-5,7-11H,1H2,(H,12,13);;2*1H2/q;;+2;;/p-2/t2*2-,3-,4+,5-;;;/m11.../s1",HJWFTNWQKDPLAS-SYAJEJNSSA-L
BMGC_DG15101,BMG_DG188501,,c1c(cc(O)c2C=3C[C@H](CCC3C(C)(C)Oc12)C)CCCCC,,NEBZNJDFIPBXCS-AWEZNQCLSA-N
BMGC_DG15102,BMG_DG188752,,c1cc(ccc1C(C)C)NC(Oc2cc3c(cc2)N[C@@]4([C@]3(CCN4)C)[H])=O,,ZIGIADNCAWZUAB-CTNGQTDRSA-N
BMGC_DG15103,BMG_DG188855,,,,
BMGC_DG15104,BMG_DG188863,CC(C)[C@@]1(CC[C@H](C1)N[C@H]2CCOC[C@H]2OC)CN3CCC4=C(C3)C=C(C=N4)C(F)(F)F,C(=O)([C@]1(C(C)C)C[C@H](N[C@@H]2[C@H](OC)COCC2)CC1)N3Cc4c(CC3)ncc(C(F)(F)F)c4,"InChI=1S/C24H36F3N3O2/c1-16(2)23(7-4-19(11-23)29-21-6-9-32-14-22(21)31-3)15-30-8-5-20-17(13-30)10-18(12-28-20)24(25,26)27/h10,12,16,19,21-22,29H,4-9,11,13-15H2,1-3H3/t19-,21+,22-,23-/m1/s1",UNVWTBOGMHPKJM-CWKRKGSWSA-N;MTMDXAIUENDNDL-RJSMDTJLSA-N
BMGC_DG15105,BMG_DG188898,,,,
BMGC_DG15106,BMG_DG188951,,,,
BMGC_DG15107,BMG_DG188977,CCOC([C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C)OCC,N([C@H](C(OCC)OCC)CCCNC(=N)N)C([C@@H](NC(=O)CCC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C)CC(C)C)=O,"InChI=1S/C27H53N7O7/c1-8-40-26(41-9-2)20(11-10-14-30-27(28)29)33-25(39)21(15-18(3)4)32-23(36)13-12-22(35)31-19(16-24(37)38)17-34(5,6)7/h18-21,26H,8-17H2,1-7H3,(H7-,28,29,30,31,32,33,35,36,37,38,39)/t19-,20+,21+/m1/s1",JOITUBWXBFATOR-HKBOAZHASA-N
BMGC_DG15108,BMG_DG189018,CN1C[C@H](C2=C(C1)C(=CC(=C2)Cl)Cl)C3=CC(=CC=C3)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)C4=CC=CC(=C4)[C@@H]5CN(CC6=C5C=C(C=C6Cl)Cl)C,C(COCCOCCNC(NCCCCNC(NCCOCCOCCNS(=O)(=O)c1cccc(c1)[C@@H]2CN(Cc3c(cc(cc23)Cl)Cl)C)=O)=O)NS(=O)(=O)c4cccc(c4)[C@@H]5CN(C)Cc6c(cc(cc56)Cl)Cl,"InChI=1S/C50H66Cl4N8O10S2/c1-61-31-43(41-27-37(51)29-47(53)45(41)33-61)35-7-5-9-39(25-35)73(65,66)59-15-19-71-23-21-69-17-13-57-49(63)55-11-3-4-12-56-50(64)58-14-18-70-22-24-72-20-16-60-74(67,68)40-10-6-8-36(26-40)44-32-62(2)34-46-42(44)28-38(52)30-48(46)54/h5-10,25-30,43-44,59-60H,3-4,11-24,31-34H2,1-2H3,(H2,55,57,63)(H2,56,58,64)/t43-,44-/m0/s1",DNHPDWGIXIMXSA-CXNSMIOJSA-N
BMGC_DG15109,BMG_DG189077,C[C@H](C1=CC=C(C=C1)F)C(=O)NC2=CC=C(C=C2)C3=CN4C(=NC(=N4)NC5=C(C=C(C=C5)S(=O)(=O)C)OC)C=C3,c12ccc(cn1nc(n2)Nc3ccc(cc3OC)S(C)(=O)=O)-c4ccc(cc4)NC([C@@H](c5ccc(cc5)F)C)=O,"InChI=1S/C29H26FN5O4S/c1-18(19-4-9-22(30)10-5-19)28(36)31-23-11-6-20(7-12-23)21-8-15-27-33-29(34-35(27)17-21)32-25-14-13-24(40(3,37)38)16-26(25)39-2/h4-18H,1-3H3,(H,31,36)(H,32,34)/t18-/m1/s1",NRJKIOCCERLIDG-GOSISDBHSA-N
BMGC_DG15110,BMG_DG189081,CC[C@H]1C[C@H](C[C@H]([C@@H]1O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H](CC4CCCCC4)C(=O)O)NC(=O)C)C(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC,C1CCC(C[C@@H](C(O)=O)O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](CC)C[C@@H](C(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C3)[C@@H]2NC(=O)C)CC1,"InChI=1S/C60H109N3O27/c1-5-44-38-45(39-46(55(44)90-60-54(70)53(69)51(67)41(2)86-60)88-59-50(63-42(3)65)56(52(68)48(40-64)89-59)87-47(58(72)73)37-43-9-7-6-8-10-43)57(71)62-13-12-61-49(66)11-14-75-17-18-77-21-22-79-25-26-81-29-30-83-33-34-85-36-35-84-32-31-82-28-27-80-24-23-78-20-19-76-16-15-74-4/h41,43-48,50-56,59-60,64,67-70H,5-40H2,1-4H3,(H,61,66)(H,62,71)(H,63,65)(H,72,73)/t41-,44-,45+,46+,47-,48+,50+,51+,52-,53+,54-,55+,56+,59+,60-/m0/s1",LYSYOXNOOPBOSC-NGSKMYNLSA-N
BMGC_DG15111,BMG_DG189082,CCS(=O)(=O)NC1=CC(=C(C=C1)OC2=C(C=C(C=C2)F)F)C3=CN(C(=O)C4=C3C=CN4)C,O(c1c(-c2c3c(c(n(c2)C)=O)[nH]cc3)cc(cc1)NS(CC)(=O)=O)c4c(F)cc(cc4)F,"InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3",RDONXGFGWSSFMY-UHFFFAOYSA-N
BMGC_DG15112,BMG_DG189085,CC(=O)NNC(=O)C1=CC=NC=C1,c1cc(ccn1)C(=O)NNC(C)=O,"InChI=1S/C8H9N3O2/c1-6(12)10-11-8(13)7-2-4-9-5-3-7/h2-5H,1H3,(H,10,12)(H,11,13)",CVBGNAKQQUWBQV-UHFFFAOYSA-N
BMGC_DG15113,BMG_DG189086,CC(C)N1C(=CC=N1)C2=C(C=CC=N2)COC3=CC=CC(=C3C=O)O,c1c(c(c(cc1)OCc2cccnc2-c3ccnn3C(C)C)C=O)O,"InChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3",FWCVZAQENIZVMY-UHFFFAOYSA-N
BMGC_DG15114,BMG_DG189109,CC1=CC2=C(C(=C1)OC)SC(=C2)C3=C4C(=NC=NN4C(=C3COC)CN5CCNC(=O)C5)N,C(OC)c1c(c2n(c1CN3CC(=O)NCC3)ncnc2N)-c4sc5c(c4)cc(cc5OC)C,"InChI=1S/C23H26N6O3S/c1-13-6-14-8-18(33-22(14)17(7-13)32-3)20-15(11-31-2)16(9-28-5-4-25-19(30)10-28)29-21(20)23(24)26-12-27-29/h6-8,12H,4-5,9-11H2,1-3H3,(H,25,30)(H2,24,26,27)",HNLRRJSKGXOYNO-UHFFFAOYSA-N
BMGC_DG15115,BMG_DG189111,CC(C)COC(=O)C1(CC1)C2=NN3C(=CC=C(C3=N2)OC)C4=CC5=C(C=C4)C(=O)OC5,O(C(=O)C1(CC1)c2nn3c(n2)c(OC)ccc3-c4cc5c(cc4)C(OC5)=O)CC(C)C,"InChI=1S/C23H23N3O5/c1-13(2)11-31-22(28)23(8-9-23)21-24-19-18(29-3)7-6-17(26(19)25-21)14-4-5-16-15(10-14)12-30-20(16)27/h4-7,10,13H,8-9,11-12H2,1-3H3",LUUUHUYQTLUIDG-UHFFFAOYSA-N
BMGC_DG15116,BMG_DG189114,C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)Br)C)O,C[C@]12CC[C@H](O)C[C@]1([H])CC[C@@]3([H])[C@]4([H])C[C@@H](Br)C(=O)[C@@]4(C)CC[C@@]32[H],"InChI=1S/C19H29BrO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h11-16,21H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,16+,18-,19-/m0/s1",CWVMWSZEMZOUPC-JUAXIXHSSA-N
BMGC_DG15117,BMG_DG189118,C[C@@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O,[C@](c1c(cc(cc1)F)F)([C@H](c2c(F)cncn2)C)(Cn3ncnc3)O;[C@]([C@@H](C)c1ncncc1F)(O)(Cn2cncn2)c3ccc(F)cc3F,"InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1",BCEHBSKCWLPMDN-MGPLVRAMSA-N
BMGC_DG15118,BMG_DG189119,C1CC1C#CC2=CC3=C(C=C2)C4=CC(=NC(=O)N4CC3)OC[C@@H]5COCCO5,O=c1n2c(-c3c(CC2)cc(cc3)C#CC4CC4)cc(n1)OC[C@@H]5COCCO5,"InChI=1S/C22H22N2O4/c25-22-23-21(28-14-18-13-26-9-10-27-18)12-20-19-6-5-16(4-3-15-1-2-15)11-17(19)7-8-24(20)22/h5-6,11-12,15,18H,1-2,7-10,13-14H2/t18-/m0/s1",IRBAWVGZNJIROV-SFHVURJKSA-N
BMGC_DG15119,BMG_DG189130,COC1=CC(=CC(=C1)C#CC2=NN(C3=NC=NC(=C23)N)[C@H]4CCN(C4)C(=O)C=C)OC,C(C=C)(=O)N1C[C@](CC1)(n2nc(c3c2ncnc3N)C#Cc4cc(cc(c4)OC)OC)[H],"InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1",KEIPNCCJPRMIAX-HNNXBMFYSA-N
BMGC_DG15120,BMG_DG189134,CN(C1C[C@@H]2CN(C[C@@H]2C1)C(=O)NC3=NC(=NS3)OC)C4=NC=NC5=C4C=CN5,n1cnc2c(c1N(C)[C@@H]3C[C@@]4([C@](C3)(CN(C4)C(Nc5snc(n5)OC)=O)[H])[H])cc[nH]2,"InChI=1S/C18H22N8O2S/c1-25(15-13-3-4-19-14(13)20-9-21-15)12-5-10-7-26(8-11(10)6-12)18(27)23-17-22-16(28-2)24-29-17/h3-4,9-12H,5-8H2,1-2H3,(H,19,20,21)(H,22,23,24,27)/t10-,11+,12?",DNBCBAXDWNDRNO-GDNZZTSVSA-N;DNBCBAXDWNDRNO-FOSCPWQOSA-N
BMGC_DG15121,BMG_DG189137,C1CC(C1)C[C@H](C2=CC(=C(C(=C2)Cl)OCC(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)C(=O)O,,"InChI=1S/C22H19ClF6O3/c23-18-10-14(17(20(30)31)8-12-2-1-3-12)9-16(19(18)32-11-21(24,25)26)13-4-6-15(7-5-13)22(27,28)29/h4-7,9-10,12,17H,1-3,8,11H2,(H,30,31)/t17-/m1/s1",ZSERTYLZGRJLOO-QGZVFWFLSA-N
BMGC_DG15122,BMG_DG189212,CC1=CC=CC=C1CN2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4Cl,C(c1ccccc1)(c2ccccc2Cl)OCCN3CCN(CC3)Cc4ccccc4C,"InChI=1S/C27H31ClN2O/c1-22-9-5-6-12-24(22)21-30-17-15-29(16-18-30)19-20-31-27(23-10-3-2-4-11-23)25-13-7-8-14-26(25)28/h2-14,27H,15-21H2,1H3",VEVSKUJZSMGTMM-UHFFFAOYSA-N
BMGC_DG15123,BMG_DG189219,CCOC(=O)C1=CC=CC=C1,C(=O)(c1ccccc1)OCC,"InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3",MTZQAGJQAFMTAQ-UHFFFAOYSA-N
BMGC_DG15124,BMG_DG189223,C1=CC=C(C=C1)C(=O)NCCC(=O)O,c1(C(NCCC(O)=O)=O)ccccc1,"InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)",CWXYHOHYCJXYFQ-UHFFFAOYSA-N
BMGC_DG15125,BMG_DG189225,CCC(C)C(C)C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,c1(S(N)(=O)=O)c(cc2NC(NS(c2c1)(=O)=O)C(C(CC)C)C)Cl,"InChI=1S/C13H20ClN3O4S2/c1-4-7(2)8(3)13-16-10-5-9(14)11(22(15,18)19)6-12(10)23(20,21)17-13/h5-8,13,16-17H,4H2,1-3H3,(H2,15,18,19)",KJLLKLRVCJAFRY-UHFFFAOYSA-N
BMGC_DG15126,BMG_DG189228,C1=CC(=NN=C1C(=O)N)NN,n1nc(NN)ccc1C(N)=O,"InChI=1S/C5H7N5O/c6-5(11)3-1-2-4(8-7)10-9-3/h1-2H,7H2,(H2,6,11)(H,8,10)",WRYZEGZNBYOMLE-UHFFFAOYSA-N
BMGC_DG15127,BMG_DG189231,C1CCN2C(=C(C=C2C3=CC4=C(C=C3C(=O)N5CC6=CC=CC=C6C[C@H]5CN7CCOCC7)OCO4)C(=O)N(C8=CC=CC=C8)C9=CC=C(C=C9)O)C1,c1(ccc(cc1)N(C(c2cc(n3c2CCCC3)-c4cc5c(cc4C(N6Cc7c(C[C@H]6CN8CCOCC8)cccc7)=O)OCO5)=O)c9ccccc9)O,"InChI=1S/C43H42N4O6/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4-8-29(30)22-33(46)27-44-18-20-51-21-19-44/h1-5,8-11,13-16,23-25,33,48H,6-7,12,17-22,26-28H2/t33-/m0/s1",VYXJULKGMXJVGI-XIFFEERXSA-N
BMGC_DG15128,BMG_DG189232,C1COCCN1C(=N)N=C(N)N,N1(C(=N)NC(N)=N)CCOCC1,"InChI=1S/C6H13N5O/c7-5(8)10-6(9)11-1-3-12-4-2-11/h1-4H2,(H5,7,8,9,10)",KJHOZAZQWVKILO-UHFFFAOYSA-N
BMGC_DG15129,BMG_DG189236,C1CC(=O)N([C@@H]1C(=O)N(C2=CC(=CN=C2)F)[C@@H](C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N,N1([C@@H](CCC1=O)C(=O)N(c2cncc(c2)F)[C@H](C(=O)NC3CC(C3)(F)F)c4c(cccc4)Cl)c5cc(ccn5)C#N,"InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1",WIJZXSAJMHAVGX-DHLKQENFSA-N
BMGC_DG15130,BMG_DG189237,C1CCN(C1)C2=C(C=CC(=C2)C(F)(F)F)CN3CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F,N1(CCN(CC1)Cc2c(cc(cc2)C(F)(F)F)N3CCCC3)C(=O)OC(C(F)(F)F)C(F)(F)F,"InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2",SQZJGTOZFRNWCX-UHFFFAOYSA-N
BMGC_DG15131,BMG_DG189245,C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)N[C@H](CO)[C@@H](C)O)O.[68Ga+3],[68Ga+3].C(=O)([O-])CN1CCN(CCN(CCN(CC1)CC([O-])=O)CC([O-])=O)CC(=O)N[C@@H](C(=O)N[C@H]2CSSC[C@@H](C(N[C@@H]([C@H](O)C)CO)=O)NC([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC2=O)Cc3ccc(cc3)O)=O)Cc4c5c([nH]c4)cccc5)=O)CCCCN)=O)[C@H](O)C)=O)Cc6ccccc6,"InChI=1S/C65H92N14O18S2.Ga/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53;/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90);/q;+3/p-3/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+;/m1./s1/i;1-2",PZBPHYLKIMOZPR-FIYGWYQWSA-K
BMGC_DG15132,BMG_DG189248,CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC4=C(C=C3)N5[C@@H](OC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)C9=CC=CC=C9)NC(=O)OC,c1c(-c2cnc([nH]2)[C@]3(N(CCC3)C([C@@H](NC(OC)=O)C(C)C)=O)[H])cc4c(c1)n5c(c4)-c6ccc(cc6O[C@H]5c7ccccc7)-c8[nH]c(nc8)[C@@]9(CCCN9C(=O)[C@H](C(C)C)NC(=O)OC)[H],"InChI=1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,37-38,41-42,47H,10-11,14-15,20-21H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t37-,38-,41-,42-,47-/m0/s1",BVAZQCUMNICBAQ-PZHYSIFUSA-N
BMGC_DG15133,BMG_DG189249,CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C=C(C=C3)CCNC4=NC=NC5=C4C=C(C=C5)C#N,n1cnc(NCCc2cc3ccc(C(N4CCN(C)CC4)=O)cc3cc2)c5c1ccc(C#N)c5,"InChI=1S/C27H26N6O/c1-32-10-12-33(13-11-32)27(34)23-6-5-21-14-19(2-4-22(21)16-23)8-9-29-26-24-15-20(17-28)3-7-25(24)30-18-31-26/h2-7,14-16,18H,8-13H2,1H3,(H,29,30,31)",VNADJTWHOAMTLY-UHFFFAOYSA-N
BMGC_DG15134,BMG_DG189250,,Oc1cc(C23CC4CC(C2)CC(C3)C4)cc5c1[C@]6([C@](C(O5)(C)C)(CC[C@H](C6)CO)[H])[H],,GQYXNRWEEUCMOZ-MMSALSPUSA-N
BMGC_DG15135,BMG_DG189254,C1CC(CCC1N)N[C@@H]2C[C@H]2C3=CC=CC=C3.Cl.Cl,N([C@@]1([H])CC[C@H](N)CC1)[C@@H]2C[C@H]2c3ccccc3.Cl.Cl,"InChI=1S/C15H22N2.2ClH/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11;;/h1-5,12-15,17H,6-10,16H2;2*1H/t12?,13?,14-,15+;;/m0../s1",UCINOBZMLCREGM-RNNUGBGQSA-N;UCINOBZMLCREGM-ISDLZHGDSA-N
BMGC_DG15136,BMG_DG189262,C[C@H]([C@@H](C1=NC2=C(N1)C=C(C=C2)C(C)(C)C)N)C(=O)N,c1(nc2c([nH]1)cc(cc2)C(C)(C)C)[C@H]([C@H](C(=O)N)C)N,"InChI=1S/C15H22N4O/c1-8(13(17)20)12(16)14-18-10-6-5-9(15(2,3)4)7-11(10)19-14/h5-8,12H,16H2,1-4H3,(H2,17,20)(H,18,19)/t8-,12+/m1/s1",APWZIFIAVVFPNT-PELKAZGASA-N
BMGC_DG15137,BMG_DG189264,CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)O[C@@H]5CCN(C5)C(=O)C=C,c1(c(nc(c(n1)CC)O[C@H]2CN(CC2)C(C=C)=O)Nc3ccc(cc3)N4CCC(CC4)N5CCN(CC5)C)C(=O)N,"InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1",QKDCLUARMDUUKN-XMMPIXPASA-N
BMGC_DG15138,BMG_DG189297,CC(C1=CC=CC=C1)NNC(=O)C2=CC=CC=C2,c1(C(NNC(c2ccccc2)=O)C)ccccc1,"InChI=1S/C15H16N2O/c1-12(13-8-4-2-5-9-13)16-17-15(18)14-10-6-3-7-11-14/h2-12,16H,1H3,(H,17,18)",BEWNZPMDJIGBED-UHFFFAOYSA-N
BMGC_DG15139,BMG_DG189300,C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](OC3(C[C@H]2O)O[C@@H]4[C@H](O[C@H](C[C@]4(O3)C)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@@H]5OC)C)O[C@@H]6[C@H](O[C@H]([C@H]([C@H]6O)OC)OC7[C@@H]([C@H]8[C@H](CO7)O[C@@]9(O8)[C@H]1[C@H]([C@@]([C@H](O9)C)(C(=O)C)O)OCO1)OC(=O)C(C)C)COC)O)C)C)O)OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C,,"InChI=1S/C61H88Cl2O32/c1-21(2)53(70)87-49-45-32(92-61(93-45)52-51(78-20-79-52)60(72,27(8)64)28(9)91-61)19-77-56(49)89-57-48(76-14)39(68)44(31(83-57)18-73-11)88-55-40(69)47(43(74-12)24(5)82-55)85-34-17-58(10)50(26(7)81-34)94-59(95-58)16-30(66)42(25(6)90-59)84-33-15-29(65)41(23(4)80-33)86-54(71)35-22(3)36(62)38(67)37(63)46(35)75-13/h21,23-26,28-34,39-45,47-52,55-57,65-69,72H,15-20H2,1-14H3/t23-,24-,25-,26-,28-,29-,30-,31-,32+,33+,34+,39+,40-,41-,42-,43+,44-,45-,47-,48+,49-,50-,51-,52-,55+,56?,57+,58-,59?,60+,61-/m1/s1",XIRGHRXBGGPPKY-OTPQUNEMSA-N
BMGC_DG15140,BMG_DG189307,CC(C)N1C2=C(C(=O)N([C@H]2C3=CC=C(C=C3)Cl)C4=CC(=CN(C4=O)C)Cl)N=C1C5=CN=C(N=C5OC)OC,C1(c2c([C@@H](N1c3cc(cn(c3=O)C)Cl)c4ccc(cc4)Cl)n(c(n2)-c5c(nc(nc5)OC)OC)C(C)C)=O,"InChI=1S/C26H24Cl2N6O4/c1-13(2)33-21-19(30-22(33)17-11-29-26(38-5)31-23(17)37-4)25(36)34(18-10-16(28)12-32(3)24(18)35)20(21)14-6-8-15(27)9-7-14/h6-13,20H,1-5H3/t20-/m0/s1",AGBSXNCBIWWLHD-FQEVSTJZSA-N
BMGC_DG15141,BMG_DG189311,CCN(CC)C1=NC(=NC(=N1)NN)N(CC)CC,n\1c(N(CC)CC)[nH]c(n/c1=N\N)N(CC)CC,"InChI=1S/C11H23N7/c1-5-17(6-2)10-13-9(16-12)14-11(15-10)18(7-3)8-4/h5-8,12H2,1-4H3,(H,13,14,15,16)",IRQOBYXMACIFKD-UHFFFAOYSA-N
BMGC_DG15142,BMG_DG189315,,O[C@H]1[C@H](O)[C@H](O)[C@@H](O[C@@H]1OC)C,,OHWCAVRRXKJCRB-XUVCUMPTSA-N
BMGC_DG15143,BMG_DG189327,,Cn1c2ccccc2c3c1c(=O)n(-c4ccccc4)c(SCC(=O)NC5CCCCC5)n3,,XIGDXFCDNWREER-UHFFFAOYSA-N
BMGC_DG15144,BMG_DG189343,,n1c([nH][nH]c1=S)-c2occc2,,PQFBWTHPDGFZBD-UHFFFAOYSA-N
BMGC_DG15145,BMG_DG189355,,C(c1ccc(cc1)-c2ccc(cc2)Cl)OC(C(=O)O)(C)C,,UGOFYAXVVVXMQT-UHFFFAOYSA-N
BMGC_DG15146,BMG_DG189357,CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)C)O,c1cc(OCC(CNC(C)C)O)c2cc(C)[nH]c2c1,"InChI=1S/C15H22N2O2/c1-10(2)16-8-12(18)9-19-15-6-4-5-14-13(15)7-11(3)17-14/h4-7,10,12,16-18H,8-9H2,1-3H3",NXWGWUVGUSFQJC-UHFFFAOYSA-N
BMGC_DG15147,BMG_DG189359,C[C@H](CCCC(C)(C)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C,,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11+/t18-,22-,23-,24?,25+,27-/m1/s1",GMRQFYUYWCNGIN-SGOONEQDSA-N
BMGC_DG15148,BMG_DG189373,CN1C(=CC=N1)[C@H]2CCCC[C@@H]2OC3=CC(=C(C=C3Cl)S(=O)(=O)NC4=NC=NC=C4)F,c1(c(cc(c(c1)Cl)O[C@@H]2[C@H](CCCC2)c3ccnn3C)F)S(=O)(=O)Nc4ncncc4,"InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1",OJKONCJPCULNOW-DYVFJYSZSA-N
BMGC_DG15149,BMG_DG189374,,c1(ccc(cc1)-c2c(N)ncc(-c3ccc(cc3)C(=O)N4CCNCC4)n2)C(F)(F)F,,GGOFGCMPKAWHEZ-UHFFFAOYSA-N
BMGC_DG15150,BMG_DG189383,C1[C@@H]([C@H]([C@H]([C@@H]1NC2=CC=NC3=CC(=NN23)C4=CC(=CC=C4)SC(F)(F)F)O)O)COS(=O)(=O)N,NS(OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cc(SC(F)(F)F)ccc4)nn32)[C@H](O)[C@@H]1O)(=O)=O,"InChI=1S/C19H20F3N5O5S2/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1",KJDAGXLMHXUAGV-DGWLBADLSA-N
BMGC_DG15151,BMG_DG189395,CNCC(C1=CC=C(C=C1)O)O,c1(ccc(cc1)O)C(O)CNC,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3",YRCWQPVGYLYSOX-UHFFFAOYSA-N
BMGC_DG15152,BMG_DG189405,CC1=CC(=C(C=C1C2=C(N=C3C(=C2)C=NC(=N3)NC)C)NC(=O)NCCC(C)(C)C)F,c1(cc(c(cc1NC(NCCC(C)(C)C)=O)-c2cc3c(nc2C)nc(nc3)NC)C)F,"InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30)",HHCBMISMPSAZBF-UHFFFAOYSA-N
BMGC_DG15153,BMG_DG189408,CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C4=C(C[C@H](CCC4)N5CCN(CC5)CCO)C=C3)OC,O(C)c1c2c(C[C@H](CCC2)N3CCN(CC3)CCO)ccc1Nc4nc(Nc5c(C(NC)=O)cccc5)c(cn4)Cl,"InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1",BCSHRERPHLTPEE-NRFANRHFSA-N
BMGC_DG15154,BMG_DG189424,CN1C(=CC=N1)NC2=NC=CC(=N2)C3=CC(=O)N(C=C3)[C@H](CO)C4=CC(=C(C=C4)Cl)F,n1ccc(nc1Nc2ccnn2C)-c3cc(n(cc3)[C@@H](c4ccc(c(c4)F)Cl)CO)=O,"InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1",RZUOCXOYPYGSKL-GOSISDBHSA-N
BMGC_DG15155,BMG_DG189475,C[C@@H]1C2=C(C=CC(=C2)F)C(=O)N(CC3=NN(C(=C3C4=CC(=C(N=C4)N)O1)C#N)C)C,[C@@H]1(C)c2cc(F)ccc2C(=O)N(C)Cc3nn(C)c(C#N)c3-c4cc(c(N)nc4)O1,"InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1",IIXWYSCJSQVBQM-LLVKDONJSA-N
BMGC_DG15156,BMG_DG189478,CCC1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O,o1c(cc2c1c(ccc2)CC)C(O)CNC(C)(C)C,"InChI=1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3",SSEBTPPFLLCUMN-UHFFFAOYSA-N
BMGC_DG15157,BMG_DG189484,CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CN4C=C(C(=O)C(=C4)Cl)Cl)SC2)C(=O)O,c1(nnc(s1)C)SCC=2CS[C@@]3([H])N(C2C(O)=O)C([C@H]3NC(Cn4cc(c(c(c4)Cl)=O)Cl)=O)=O,"InChI=1S/C18H15Cl2N5O5S3/c1-7-22-23-18(33-7)32-6-8-5-31-16-12(15(28)25(16)13(8)17(29)30)21-11(26)4-24-2-9(19)14(27)10(20)3-24/h2-3,12,16H,4-6H2,1H3,(H,21,26)(H,29,30)/t12-,16-/m1/s1",VTLCNEGVSVJLDN-MLGOLLRUSA-N
BMGC_DG15158,BMG_DG189486,COC1=CC(=C(C(=C1F)COC2=CN=C(N=C2)NC3=CN(N=C3)CCO)F)OC,c1c(c(c(c(c1OC)F)COc2cnc(nc2)Nc3cnn(c3)CCO)F)OC,"InChI=1S/C18H19F2N5O4/c1-27-14-5-15(28-2)17(20)13(16(14)19)10-29-12-7-21-18(22-8-12)24-11-6-23-25(9-11)3-4-26/h5-9,26H,3-4,10H2,1-2H3,(H,21,22,24)",VDZZYOJYLLNBTD-UHFFFAOYSA-N
BMGC_DG15159,BMG_DG189500,CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O,c1ccc2c([nH]c3cccc(OCC(CNC(C)C)O)c23)c1,"InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3",BQXQGZPYHWWCEB-UHFFFAOYSA-N
BMGC_DG15160,BMG_DG189503,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CNC(=O)N(CCCl)N=O)O)O)O,O1[C@H](CNC(N(N=O)CCCl)=O)[C@H]([C@@H]([C@H]([C@H]1OC)O)O)O,"InChI=1S/C10H18ClN3O7/c1-20-9-8(17)7(16)6(15)5(21-9)4-12-10(18)14(13-19)3-2-11/h5-9,15-17H,2-4H2,1H3,(H,12,18)/t5-,6-,7+,8-,9+/m1/s1",AHHFEZNOXOZZQA-ZEBDFXRSSA-N
BMGC_DG15161,BMG_DG189507,C1CC2=C(C=CC(=C2)OC(=O)C3=CC=CO3)N(C1)C(=O)C(Cl)Cl,o1cccc1C(Oc2ccc3N(CCCc3c2)C(C(Cl)Cl)=O)=O,"InChI=1S/C16H13Cl2NO4/c17-14(18)15(20)19-7-1-3-10-9-11(5-6-12(10)19)23-16(21)13-4-2-8-22-13/h2,4-6,8-9,14H,1,3,7H2",SBJGFIXQRZOVTO-UHFFFAOYSA-N
BMGC_DG15162,BMG_DG189517,C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=C3)C(=CN4)C(=O)O)Cl)O,c1c(ccc(C2(O)CCC2)c1)-c3cc4c(cc3Cl)[nH]cc4C(=O)O,"InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)",FHQXLWCFSUSXBF-UHFFFAOYSA-N
BMGC_DG15163,BMG_DG189518,C1CCN(C1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)CN5CCOCC5,c1cc(cc2c1nc(cc2C(NCCN3CCCC3)=O)-c4ccc(cc4)CN5CCOCC5)F,"InChI=1S/C27H31FN4O2/c28-22-7-8-25-23(17-22)24(27(33)29-9-12-31-10-1-2-11-31)18-26(30-25)21-5-3-20(4-6-21)19-32-13-15-34-16-14-32/h3-8,17-18H,1-2,9-16,19H2,(H,29,33)",BENUHBSJOJMZEE-UHFFFAOYSA-N
BMGC_DG15164,BMG_DG189528,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C=C(C4=CC(=O)C=C[C@]34C)CO,,"InChI=1S/C20H24O3/c1-19-7-5-13(22)10-17(19)12(11-21)9-14-15-3-4-18(23)20(15,2)8-6-16(14)19/h5,7,9-10,14-16,21H,3-4,6,8,11H2,1-2H3/t14-,15-,16-,19+,20-/m0/s1",MNBSDZVEXCMDRX-DAELLWKTSA-N
BMGC_DG15165,BMG_DG189600,CCCOC(=O)C1=CC=C(C=C1)O,C(c1ccc(cc1)O)(=O)OCCC,"InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3",QELSKZZBTMNZEB-UHFFFAOYSA-N
BMGC_DG15166,BMG_DG189601,C1C2=C(C=CC(=C2)N)N=C3N1C(=O)C4=CC=CC=C43,c1(cc2c(cc1)N=C3N(C(c4c3cccc4)=O)C2)N,"InChI=1S/C15H11N3O/c16-10-5-6-13-9(7-10)8-18-14(17-13)11-3-1-2-4-12(11)15(18)19/h1-7H,8,16H2",SRIOCKJKFXAKHK-UHFFFAOYSA-N
BMGC_DG15167,BMG_DG189618,,N(c1c2c(cc(OCCOC)c(OCCOC)c2)ncn1)c3cc(C#C)c(C)cc3,,PENVNSXCNXIPIF-UHFFFAOYSA-N
BMGC_DG15168,BMG_DG189662,,c1(c(cc(cc1C(C)(C)C)C(c2cccs2)=O)C(C)(C)C)O,,WAAVMZLJRXYRMA-UHFFFAOYSA-N
BMGC_DG15169,BMG_DG189761,COC1=C(C=C(C=C1)/C=C/C(=O)O)OC,c1(c(ccc(c1)/C=C/C(O)=O)OC)OC,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+",HJBWJAPEBGSQPR-GQCTYLIASA-N
BMGC_DG15170,BMG_DG189783,C1COCCN1C(=O)C2=CC=C(C=C2)C3=CN4C(=NC=C4C5=CC=C(C=C5)C#N)C=C3,C(c1ccc(cc1)-c2cnc3ccc(cn32)-c4ccc(cc4)C(=O)N5CCOCC5)#N,"InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2",FWRFPHJSGLYXTD-UHFFFAOYSA-N
BMGC_DG15171,BMG_DG189799,CC(C)(C)C1CCC(CC1)CC2=C(C3=CC=CC=C3C(=O)C2=O)O,C1[C@H](CC[C@@H](C1)C(C)(C)C)CC=2C(=O)c3c(cccc3)C(=O)C2O,"InChI=1S/C21H26O3/c1-21(2,3)14-10-8-13(9-11-14)12-17-18(22)15-6-4-5-7-16(15)19(23)20(17)24/h4-7,13-14,22H,8-12H2,1-3H3",KLLIVCPQDTYMLC-HDJSIYSDSA-N;NEGDTWQGGLJCTL-UHFFFAOYSA-N
BMGC_DG15172,BMG_DG189801,,,,
BMGC_DG15173,BMG_DG189845,C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl,N(c1c(Cl)cccc1Cl)c2c(CC(=O)OCC(=O)O)cccc2,"InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)",MNIPYSSQXLZQLJ-UHFFFAOYSA-N
BMGC_DG15174,BMG_DG189880,C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F,C(C(C(F)(F)F)F)(Oc1cc(Cl)c(cc1Cl)NC(NC(c2c(F)cccc2F)=O)=O)(F)F,"InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)",PWPJGUXAGUPAHP-UHFFFAOYSA-N
BMGC_DG15175,BMG_DG189894,,N1(CCC(C(c2ccccc2)O)CC1)CCc3ccccc3,,AXNGJCOYCMDPQG-UHFFFAOYSA-N
BMGC_DG15176,BMG_DG189899,C#CCO[C@H]1CN2CCC1CC2,N12C[C@@H](C(CC1)CC2)OCC#C,"InChI=1S/C10H15NO/c1-2-7-12-10-8-11-5-3-9(10)4-6-11/h1,9-10H,3-8H2/t10-/m0/s1",XVFJONKUSLSKSW-JTQLQIEISA-N
BMGC_DG15177,BMG_DG189904,CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=C(C=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,[H][C@@]12C[C@@]3([H])[C@](CN2CCc4c5c(ccc(c5)OC)[nH]c14)([H])C[C@H]([C@H](OC)[C@H]3C(OC)=O)OC(=O)c6cc(OC)c(c(OC)c6)OC,"InChI=1S/C33H40N2O9/c1-38-19-7-8-23-22(14-19)20-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)21(18)15-24(35)29(20)34-23/h7-8,11-12,14,18,21,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,21+,24-,27-,28+,31+/m1/s1",ULBNWNUHGJLQHO-VKMIBBQISA-N
BMGC_DG15178,BMG_DG189905,C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,,"InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)",RNBGYGVWRKECFJ-UHFFFAOYSA-N
BMGC_DG15179,BMG_DG189911,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC(=C(C=C3)Cl)Cl)OC)C(=O)O)C,N12[C@@](SC(C)(C)[C@@H]1C(O)=O)([H])[C@@H](C2=O)NC(C(c3ccc(c(c3)Cl)Cl)OC)=O,"InChI=1S/C17H18Cl2N2O5S/c1-17(2)12(16(24)25)21-14(23)10(15(21)27-17)20-13(22)11(26-3)7-4-5-8(18)9(19)6-7/h4-6,10-12,15H,1-3H3,(H,20,22)(H,24,25)/t10-,11?,12+,15-/m1/s1",JKXQBIZCQJLVOS-GSNLGQFWSA-N
BMGC_DG15180,BMG_DG189914,,S(Nc1sc(CC)nn1)(c2ccc(cc2)N)(=O)=O,,SVYBEBLNQGDRHF-UHFFFAOYSA-N
BMGC_DG15181,BMG_DG189919,C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)NC(=O)C(C)(F)F,N([C@]12CCC(C)(C)C[C@@]1([H])[C@@]3([H])C(=O)C=C4[C@]5(C=C(C#N)C(=O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC2)C)C(=O)C(F)(F)C,"InChI=1S/C33H44F2N2O3/c1-27(2)11-13-33(37-26(40)32(8,34)35)14-12-31(7)24(20(33)17-27)21(38)15-23-29(5)16-19(18-36)25(39)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3,(H,37,40)/t20-,22-,24-,29-,30+,31+,33-/m0/s1",RJCWBNBKOKFWNY-IDPLTSGASA-N
BMGC_DG15182,BMG_DG189923,,c1cc(ccc1F)CNc2ccc(c(c2F)N)NC(OCC)=O,,JXVLPDQFZKOEPI-UHFFFAOYSA-N
BMGC_DG15183,BMG_DG189925,CC(C)(C)NC(=O)C1=CC=C(C=C1)OC/C(=C/F)/CN,c1(ccc(cc1)OC/C(/CN)=C/F)C(NC(C)(C)C)=O,"InChI=1S/C15H21FN2O2/c1-15(2,3)18-14(19)12-4-6-13(7-5-12)20-10-11(8-16)9-17/h4-8H,9-10,17H2,1-3H3,(H,18,19)/b11-8+",OWNSXNXYELKDSO-DHZHZOJOSA-N
BMGC_DG15184,BMG_DG189933,CC1=NC=C(N1CC(C)O)[N+](=O)[O-],c1(cnc(n1CC(O)C)C)[N+]([O-])=O,"InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3",KPQZUUQMTUIKBP-UHFFFAOYSA-N
BMGC_DG15185,BMG_DG189946,CC1=CC(=CC=C1)C(=O)N2C3=CC=CC=C3C(=N2)C#N,,"InChI=1S/C16H11N3O/c1-11-5-4-6-12(9-11)16(20)19-15-8-3-2-7-13(15)14(10-17)18-19/h2-9H,1H3",KRFSMLDUZFVINX-UHFFFAOYSA-N
BMGC_DG15186,BMG_DG189948,,Cc1ccc2c(c1)[nH]c(-c3ccccc3)c2C(C[N+](=O)[O-])c4cccs4,,RJSPNRDBWHHFMH-UHFFFAOYSA-N
BMGC_DG15187,BMG_DG189951,CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)Cl,c1cc2n(Cc3ccc(cc3)Cl)c(C)nc2cc1,"InChI=1S/C15H13ClN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3",WNAQOLSMVPFGTE-UHFFFAOYSA-N
BMGC_DG15188,BMG_DG189953,,N1(c2c(ccc(c2)CC)Sc3c1cccc3)CC(CN(C)C)C,,USKHCLAXJXCWMO-UHFFFAOYSA-N
BMGC_DG15189,BMG_DG189963,C1=CC(=C(C(=C1)Cl)OCCNN=C(N)N)Cl,N(NCCOc1c(cccc1Cl)Cl)C(=N)N,"InChI=1S/C9H12Cl2N4O/c10-6-2-1-3-7(11)8(6)16-5-4-14-15-9(12)13/h1-3,14H,4-5H2,(H4,12,13,15)",XIHXRRMCNSMUET-UHFFFAOYSA-N
BMGC_DG15190,BMG_DG189967,CCCCOC(=O)C1=CC=C(C=C1)O,C(c1ccc(cc1)O)(=O)OCCCC,"InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3",QFOHBWFCKVYLES-UHFFFAOYSA-N
BMGC_DG15191,BMG_DG189977,COC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)N)O)CO)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)N)O)N)O)N)O)N)O)N)O)N)O,,"InChI=1S/C56H103N9O39/c1-87-56(86)65-28-38(84)46(19(10-74)96-55(28)104-45-18(9-73)95-49(27(64)37(45)83)97-39-12(3-67)88-47(85)20(57)31(39)77)103-54-26(63)36(82)44(17(8-72)94-54)102-53-25(62)35(81)43(16(7-71)93-53)101-52-24(61)34(80)42(15(6-70)92-52)100-51-23(60)33(79)41(14(5-69)91-51)99-50-22(59)32(78)40(13(4-68)90-50)98-48-21(58)30(76)29(75)11(2-66)89-48/h11-55,66-85H,2-10,57-64H2,1H3,(H,65,86)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1",FLASNYPZGWUPSU-SICDJOISSA-N
BMGC_DG15192,BMG_DG189981,CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O,N(CC(c1cc(c(cc1)O)O)O)CCn2cnc3n(c(=O)n(C)c(c32)=O)C,"InChI=1S/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3",WMCMJIGLYZDKRN-UHFFFAOYSA-N
BMGC_DG15193,BMG_DG189984,C1=CC=C(C=C1)C(COC(=O)N)O,C(OCC(c1ccccc1)O)(=O)N,"InChI=1S/C9H11NO3/c10-9(12)13-6-8(11)7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H2,10,12)",OCSOHUROTFFTFO-UHFFFAOYSA-N
BMGC_DG15194,BMG_DG189992,C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2,C(OOC(=O)c1ccccc1)(=O)c2ccccc2,InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H,OMPJBNCRMGITSC-UHFFFAOYSA-N
BMGC_DG15195,BMG_DG189998,C1CCN(CC1)C(=S)SSC(=S)N2CCCCC2,C(SSC(N1CCCCC1)=S)(N2CCCCC2)=S,InChI=1S/C12H20N2S4/c15-11(13-7-3-1-4-8-13)17-18-12(16)14-9-5-2-6-10-14/h1-10H2,KNBRWWCHBRQLNY-UHFFFAOYSA-N
BMGC_DG15196,BMG_DG190011,CC(C)C1=CC=CC=C1OCC2=NCCN2,C1(=NCCN1)COc2c(C(C)C)cccc2,"InChI=1S/C13H18N2O/c1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13/h3-6,10H,7-9H2,1-2H3,(H,14,15)",GFYSWQDCHLWRMQ-UHFFFAOYSA-N
BMGC_DG15197,BMG_DG190014,CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NCCO,c1cc2[n+](c(C(NCCO)=O)c(C)[n+]([O-])c2cc1)[O-],"InChI=1S/C12H13N3O4/c1-8-11(12(17)13-6-7-16)15(19)10-5-3-2-4-9(10)14(8)18/h2-5,16H,6-7H2,1H3,(H,13,17)",TURHTASYUMWZCC-UHFFFAOYSA-N
BMGC_DG15198,BMG_DG190028,CC(CCN1CCN(CC1)C2=CC=C(C=C2)F)NC(=O)C3=CN=CC=C3,c1(cnccc1)C(NC(C)CCN2CCN(CC2)c3ccc(cc3)F)=O,"InChI=1S/C20H25FN4O/c1-16(23-20(26)17-3-2-9-22-15-17)8-10-24-11-13-25(14-12-24)19-6-4-18(21)5-7-19/h2-7,9,15-16H,8,10-14H2,1H3,(H,23,26)",RSKQGBFMNPDPLR-UHFFFAOYSA-N
BMGC_DG15199,BMG_DG190072,C1=CC2=C(C=C1[N+](=O)[O-])NC=N2,c1c(cc2c(c1)nc[nH]2)[N+]([O-])=O,"InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)",XPAZGLFMMUODDK-UHFFFAOYSA-N
BMGC_DG15200,BMG_DG190081,CC(C)NCC(COC1=CC=CC2=C1C=CC2)O,c1ccc(c2c1CC=C2)OCC(CNC(C)C)O,"InChI=1S/C15H21NO2/c1-11(2)16-9-13(17)10-18-15-8-4-6-12-5-3-7-14(12)15/h3-4,6-8,11,13,16-17H,5,9-10H2,1-2H3",MPGBPFMOOXKQRX-UHFFFAOYSA-N
BMGC_DG15201,BMG_DG190093,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)NC(=O)[C@@H](CC(=O)NC)N)C(=O)O)C,[C@@]12([C@H](NC(=O)[C@H](NC([C@@H](CC(NC)=O)N)=O)c3ccc(cc3)O)C(N2[C@@H](C(O)=O)C(S1)(C)C)=O)[H],"InChI=1S/C21H27N5O7S/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25-17(30)13(9-4-6-10(27)7-5-9)24-16(29)11(22)8-12(28)23-3/h4-7,11,13-15,19,27H,8,22H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,32,33)/t11-,13-,14-,15+,19-/m1/s1",BHELIUBJHYAEDK-OAIUPTLZSA-N
BMGC_DG15202,BMG_DG190102,C1CN=C(N1)NC2=C(C=CC=C2Br)F,c1(c(NC=2NCCN2)c(ccc1)Br)F,"InChI=1S/C9H9BrFN3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)",KDPNLRQZHDJRFU-UHFFFAOYSA-N
BMGC_DG15203,BMG_DG190111,,CC(C)(C)c1cc(Br)ccc1OCC(O)=O,,GCBNGPDJYUPSBS-UHFFFAOYSA-N
BMGC_DG15204,BMG_DG190122,C[C@H](CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O,C(=O)([C@H]1N(CCC1)C([C@@H](CSC(C)=O)C)=O)N[C@H](C(O)=O)Cc2ccccc2,"InChI=1S/C20H26N2O5S/c1-13(12-28-14(2)23)19(25)22-10-6-9-17(22)18(24)21-16(20(26)27)11-15-7-4-3-5-8-15/h3-5,7-8,13,16-17H,6,9-12H2,1-2H3,(H,21,24)(H,26,27)/t13-,16+,17+/m1/s1",FHHHOYXPRDYHEZ-COXVUDFISA-N
BMGC_DG15205,BMG_DG190126,C1=CC(=C(C=C1C(=O)O)O)O,c1(cc(c(O)cc1)O)C(O)=O,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",YQUVCSBJEUQKSH-UHFFFAOYSA-N
BMGC_DG15206,BMG_DG190139,C1=CC=C(C(=C1)C#N)OCC(CNCCNC(=O)CC2=CC=C(C=C2)O)O,c1(c(OCC(O)CNCCNC(=O)Cc2ccc(cc2)O)cccc1)C#N,"InChI=1S/C20H23N3O4/c21-12-16-3-1-2-4-19(16)27-14-18(25)13-22-9-10-23-20(26)11-15-5-7-17(24)8-6-15/h1-8,18,22,24-25H,9-11,13-14H2,(H,23,26)",YARKMNAWFIMDKV-UHFFFAOYSA-N
BMGC_DG15207,BMG_DG190144,CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O,C1CC[C@]2(C[C@H](N([C@]2(C1)[H])C([C@@H](N[C@@H](CCC)C(O)=O)C)=O)C(O)=O)[H],"InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1",ODAIHABQVKJNIY-PEDHHIEDSA-N
BMGC_DG15208,BMG_DG190151,CC(C)[C@](CCCN(C)CCC1=CC=CC=C1)(C#N)C2=CC=CC=C2,[C@@](c1ccccc1)(C#N)(C(C)C)CCCN(C)CCc2ccccc2,"InChI=1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3/t23-/m0/s1",DWAWDSVKAUWFHC-QHCPKHFHSA-N
BMGC_DG15209,BMG_DG190162,CC1=C(C=CC(=C1)Cl)OCC(=O)O,c1(c(cc(Cl)cc1)C)OCC(=O)O,"InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)",WHKUVVPPKQRRBV-UHFFFAOYSA-N
BMGC_DG15210,BMG_DG190166,CCOC(=O)[C@H](CS)NCCN[C@@H](CS)C(=O)OCC,C([C@@H](NCCN[C@H](C(=O)OCC)CS)CS)(OCC)=O,"InChI=1S/C12H24N2O4S2/c1-3-17-11(15)9(7-19)13-5-6-14-10(8-20)12(16)18-4-2/h9-10,13-14,19-20H,3-8H2,1-2H3/t9-,10-/m0/s1",RZQNBTMGBODDSK-UWVGGRQHSA-N
BMGC_DG15211,BMG_DG190170,C1CC2=C(C(C3=CC=CC=C31)N4C=CN=C4)C(=CC(=C2)Cl)Cl,C1(c2c(CCc3c1cccc3)cc(Cl)cc2Cl)n4ccnc4,"InChI=1S/C18H14Cl2N2/c19-14-9-13-6-5-12-3-1-2-4-15(12)18(17(13)16(20)10-14)22-8-7-21-11-22/h1-4,7-11,18H,5-6H2",MPTJIDOGFUQSQH-UHFFFAOYSA-N
BMGC_DG15212,BMG_DG190173,,c1(cc(ccc1)C#CC(N(C(N)=O)O)C)Oc2ccc(F)cc2,,MWXPQCKCKPYBDR-UHFFFAOYSA-N
BMGC_DG15213,BMG_DG190175,CCC(C1=CC=CC=C1)C(=O)NC(=O)N,c1(ccccc1)C(C(NC(N)=O)=O)CC,"InChI=1S/C11H14N2O2/c1-2-9(10(14)13-11(12)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,14,15)",AJOQSQHYDOFIOX-UHFFFAOYSA-N
BMGC_DG15214,BMG_DG190176,C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)O,OC1=C2[C@@]([C@@]3([C@]([C@@]4(CC[C@@]([C@]4(CC3)C)(O)C)[H])(CC2)[H])[H])(CCC1=O)C,"InChI=1S/C20H30O3/c1-18-9-8-16(21)17(22)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,22-23H,4-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1",RXXBBHGCAXVBES-XMUHMHRVSA-N
BMGC_DG15215,BMG_DG190179,,C(N1CCCCC1)(c2ccccc2)C(OCCN(CC)CC)=O,,JGTJANXYSNVLMQ-UHFFFAOYSA-N
BMGC_DG15216,BMG_DG190190,CN1CCC(CC1)N(CC2=CC=CC=C2)C3=CC=CC=C3,N(C1CCN(CC1)C)(Cc2ccccc2)c3ccccc3,"InChI=1S/C19H24N2/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3",VZSXTYKGYWISGQ-UHFFFAOYSA-N
BMGC_DG15217,BMG_DG190193,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)CCC4=CC(=O)C=C[C@]34C)O,[C@@]12([C@@](C(COP(=O)(O)O)=O)(CC[C@]2([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)[H])(C=CC(=O)C4)C)[H])[H])O)C,"InChI=1S/C21H29O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",JDOZJEUDSLGTLU-VWUMJDOOSA-N
BMGC_DG15218,BMG_DG190197,C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N,,"InChI=1S/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1",BENFXAYNYRLAIU-QSVFAHTRSA-N
BMGC_DG15219,BMG_DG190208,CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC,C(CCCCCCC)Oc1ccccc1C(Nc2ccc(C(=O)OCC[N+](CC)(C)CC)cc2)=O,"InChI=1S/C29H42N2O4/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3/h12-13,15-20H,5-11,14,21-23H2,1-4H3/p+1",NQHNLNLJPDMBFN-UHFFFAOYSA-O
BMGC_DG15220,BMG_DG190212,C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64,c1cc2N(c3c(Sc2cc1)cccc3)C(CN4CCN(CC4)Cc5ccc6c(c5)OCO6)=O,"InChI=1S/C26H25N3O3S/c30-26(29-20-5-1-3-7-24(20)33-25-8-4-2-6-21(25)29)17-28-13-11-27(12-14-28)16-19-9-10-22-23(15-19)32-18-31-22/h1-10,15H,11-14,16-18H2",UBAJTZKNDCEGKL-UHFFFAOYSA-N
BMGC_DG15221,BMG_DG190213,C[C@@H](C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O,c1(c(ccc(c1)[C@@H](C(=O)O)C)-c2ccccc2)F,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1",SYTBZMRGLBWNTM-JTQLQIEISA-N
BMGC_DG15222,BMG_DG190218,,c12c3[nH]c(C(O)=O)cc(c3cc(c1[nH]c(cc2=O)C(O)=O)CCCC)=O,,BQVIONBNDNFCCP-UHFFFAOYSA-N
BMGC_DG15223,BMG_DG190220,C1COCCN1CCOC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F,N1(CCOCC1)CCOC(c2cccnc2Nc3cccc(c3)C(F)(F)F)=O,"InChI=1S/C19H20F3N3O3/c20-19(21,22)14-3-1-4-15(13-14)24-17-16(5-2-6-23-17)18(26)28-12-9-25-7-10-27-11-8-25/h1-6,13H,7-12H2,(H,23,24)",LDXSPUSKBDTEKA-UHFFFAOYSA-N
BMGC_DG15224,BMG_DG190228,,N1(CCOCC1)CCNc2c(cc(nn2)-c3ccccc3)C#N,,KRNDIPHOJLIHRI-UHFFFAOYSA-N
BMGC_DG15225,BMG_DG190243,CCCC(C)C1(C(=O)NC(=O)NC1=O)C=C,N1C(NC(=O)C(C1=O)(C(CCC)C)C=C)=O,"InChI=1S/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h5,7H,2,4,6H2,1,3H3,(H2,12,13,14,15,16)",KGKJZEKQJQQOTD-UHFFFAOYSA-N
BMGC_DG15226,BMG_DG190247,CC1=CC(=C(C=C1)NC2=NCCN2)Cl,C1NC(=NC1)Nc2ccc(cc2Cl)C,"InChI=1S/C10H12ClN3/c1-7-2-3-9(8(11)6-7)14-10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H2,12,13,14)",KWBTZIFLQYYPTH-UHFFFAOYSA-N
BMGC_DG15227,BMG_DG190248,C1=CC2=C(C=C1O)OC(=O)S2,c1(ccc2sc(oc2c1)=O)O,"InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H",SLYPOVJCSQHITR-UHFFFAOYSA-N
BMGC_DG15228,BMG_DG190249,CC1=CC=C(C=C1)C(CCN(C)C)C2=CC=CC=C2,c1(ccc(cc1)C)C(CCN(C)C)c2ccccc2,"InChI=1S/C18H23N/c1-15-9-11-17(12-10-15)18(13-14-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3",CINROOONPHQHPO-UHFFFAOYSA-N
BMGC_DG15229,BMG_DG190250,C[N+]1(CCOCC1)CCC(C2=CC=CC=C2)(C3=CC=CS3)O.[I-],[N+]1(CCC(c2sccc2)(c3ccccc3)O)(CCOCC1)C.[I-],"InChI=1S/C18H24NO2S.HI/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16;/h2-8,15,20H,9-14H2,1H3;1H/q+1;/p-1",IOFXEUZPIIUQAG-UHFFFAOYSA-M
BMGC_DG15230,BMG_DG190253,CCOC1=C(C(=C(C2=C1C(OC2=O)C3C4=C(C5=C(C=C4CCN3C)OCO5)OC)N)OCC)OCC,C1(OC(=O)c2c1c(c(OCC)c(OCC)c2N)OCC)C3c4c(c5OCOc5cc4CCN3C)OC,"InChI=1S/C26H32N2O8/c1-6-31-23-17-16(18(27)24(32-7-2)25(23)33-8-3)26(29)36-21(17)19-15-13(9-10-28(19)4)11-14-20(22(15)30-5)35-12-34-14/h11,19,21H,6-10,12,27H2,1-5H3",IRGJVQIJENCTQF-UHFFFAOYSA-N
BMGC_DG15231,BMG_DG190257,,S(C(=S)N(CC)CC)C(=S)N(CC)CC,,CTPKSRZFJSJGML-UHFFFAOYSA-N
BMGC_DG15232,BMG_DG190276,C1CN(C[C@@H]1O)C2=C(C=C(C=N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C4=CC=NN4,c1c(cc(c(n1)N2C[C@@H](CC2)O)-c3ccn[nH]3)C(=O)Nc4ccc(cc4)OC(F)(F)Cl,"InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1",VOVZXURTCKPRDQ-CQSZACIVSA-N
BMGC_DG15233,BMG_DG190277,C1CO[C@H](CN1)CNC2=CC(=NC=C2C(F)(F)F)NC3=NC=C(N=C3)C#N,C1CO[C@H](CN1)CNc2cc(ncc2C(F)(F)F)Nc3cnc(C#N)cn3,"InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1",YBYYWUUUGCNAHQ-LLVKDONJSA-N
BMGC_DG15234,BMG_DG190283,,[Cl-].[201Tl+],,GBECUEIQVRDUKB-RYDPDVNUSA-M
BMGC_DG15235,BMG_DG190284,C1=CC=C2C(=C1)NC(=N2)S(=O)CC3=CC=CC=N3,c1cc2[nH]c([S+](Cc3ccccn3)[O-])nc2cc1,"InChI=1S/C13H11N3OS/c17-18(9-10-5-3-4-8-14-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,9H2,(H,15,16)",HBDKFZNDMVLSHM-UHFFFAOYSA-N
BMGC_DG15236,BMG_DG190285,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O,N([C@H](C(=O)O)CC(C)C)C([C@H]([C@@H](Cc1ccccc1)N)O)=O,"InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1",VGGGPCQERPFHOB-RDBSUJKOSA-N
BMGC_DG15237,BMG_DG190291,C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C=CC(=C3)O)O)CCC=C2C)C,[C@]1([C@]2([C@](C(C)=CCC2)(C)CC[C@@H]1C)[H])(Cc3c(ccc(c3)O)O)C,"InChI=1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h6,8-9,12,15,19,22-23H,5,7,10-11,13H2,1-4H3/t15-,19+,20+,21+/m0/s1",JSPUCPNQXKTYRO-LWILDLIXSA-N
BMGC_DG15238,BMG_DG190295,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=[N+]=[N-],n1(c([nH]c(c(c1)C)=O)=O)[C@@H]2O[C@H](COP(OP(OP(=O)(O)O)(=O)O)(=O)O)[C@H](C2)N=[N+]=[N-],"InChI=1S/C10H16N5O13P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1",GLWHPRRGGYLLRV-XLPZGREQSA-N
BMGC_DG15239,BMG_DG190297,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N,C(CCCCCCCCCCCCCCC)(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N)Cc1ccccc1)=O)CC(C)C)=O)C)=O)CCCNC(=N)N)=O)CO)=O)CCCCN)=O)CCCCN,"InChI=1S/C55H99N13O9/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-31-47(70)63-41(28-21-23-32-56)51(74)64-42(29-22-24-33-57)52(75)68-46(37-69)54(77)65-43(30-25-34-61-55(59)60)50(73)62-39(4)49(72)67-45(35-38(2)3)53(76)66-44(48(58)71)36-40-26-18-17-19-27-40/h17-19,26-27,38-39,41-46,69H,5-16,20-25,28-37,56-57H2,1-4H3,(H2,58,71)(H,62,73)(H,63,70)(H,64,74)(H,65,77)(H,66,76)(H,67,72)(H,68,75)(H4,59,60,61)/t39-,41-,42-,43-,44-,45-,46-/m0/s1",VZRIKWNVDCTBTF-BKGFHLQYSA-N
BMGC_DG15240,BMG_DG190305,CN(C)C(=O)C1=CC=C(C=C1)C2=NC(=CS2)COC3=CC(=CC4=C3C=C(O4)C5=CN6C(=N5)SC(=N6)OC)OC,C(c1ccc(cc1)-c2scc(n2)COc3cc(cc4c3cc(o4)-c5nc6sc(nn6c5)OC)OC)(=O)N(C)C,"InChI=1S/C27H23N5O5S2/c1-31(2)25(33)16-7-5-15(6-8-16)24-28-17(14-38-24)13-36-21-9-18(34-3)10-22-19(21)11-23(37-22)20-12-32-26(29-20)39-27(30-32)35-4/h5-12,14H,13H2,1-4H3",KEEBLYWBELVGPQ-UHFFFAOYSA-N
BMGC_DG15241,BMG_DG190308,CC1=C(N=C(S1)N2CCOCC2)COC3=CC(=CC4=C3C=C(O4)C5=CN6C(=N5)SC(=N6)OC)OC,N1(CCOCC1)c2sc(c(n2)COc3cc(cc4c3cc(o4)-c5nc6sc(nn6c5)OC)OC)C,"InChI=1S/C23H23N5O5S2/c1-13-17(25-21(34-13)27-4-6-31-7-5-27)12-32-18-8-14(29-2)9-19-15(18)10-20(33-19)16-11-28-22(24-16)35-23(26-28)30-3/h8-11H,4-7,12H2,1-3H3",MINMDCMSHDBHKG-UHFFFAOYSA-N
BMGC_DG15242,BMG_DG190309,COC[C@H](C1=CC(=C(C=C1)OC(F)(F)F)F)NC(=O)N2CC(=O)NC3=C2N=CC(=C3)OC,c12c(NC(CN1C(=O)N[C@H](COC)c3cc(c(cc3)OC(F)(F)F)F)=O)cc(cn2)OC,"InChI=1S/C19H18F4N4O5/c1-30-9-14(10-3-4-15(12(20)5-10)32-19(21,22)23)26-18(29)27-8-16(28)25-13-6-11(31-2)7-24-17(13)27/h3-7,14H,8-9H2,1-2H3,(H,25,28)(H,26,29)/t14-/m1/s1",AWJSRXUQLSPAOI-CQSZACIVSA-N
BMGC_DG15243,BMG_DG190314,C1CN(C[C@@]2(C1=CC3=C(C2)C=NN3C4=CC=C(C=C4)F)C(=O)C5=CC=CC=N5)S(=O)(=O)C6=CC=C(C=C6)C(F)(F)F,C(=O)([C@@]12C(=Cc3c(C1)cnn3-c4ccc(F)cc4)CCN(S(=O)(=O)c5ccc(C(F)(F)F)cc5)C2)c6ccccn6,"InChI=1S/C29H22F4N4O3S/c30-22-6-8-23(9-7-22)37-26-15-21-12-14-36(41(39,40)24-10-4-20(5-11-24)29(31,32)33)18-28(21,16-19(26)17-35-37)27(38)25-3-1-2-13-34-25/h1-11,13,15,17H,12,14,16,18H2/t28-/m0/s1",VXOBXKQLNWYQPQ-NDEPHWFRSA-N
BMGC_DG15244,BMG_DG190390,,,,
BMGC_DG15245,BMG_DG190392,CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5,N(c1c2c(ncn1)[nH]cc2)c3c(C(Nc4ccc(cc4)CN5CCN(CC5)C)=O)n[nH]c3,"InChI=1S/C22H25N9O/c1-30-8-10-31(11-9-30)13-15-2-4-16(5-3-15)27-22(32)19-18(12-26-29-19)28-21-17-6-7-23-20(17)24-14-25-21/h2-7,12,14H,8-11,13H2,1H3,(H,26,29)(H,27,32)(H2,23,24,25,28)",VXLAKHWYGRKCGI-UHFFFAOYSA-N
BMGC_DG15246,BMG_DG190393,,c1(ccc(cc1)Cn2ccc(n2)CCCCC(NO)=O)N3CCOCC3,,XLLRRWQLIXDREV-UHFFFAOYSA-N
BMGC_DG15247,BMG_DG190394,,c1(ccc(cc1)Cn2ccc(n2)CCCCC(NO)=O)[N+]([O-])=O,,IGBASONUCXPAGV-UHFFFAOYSA-N
BMGC_DG15248,BMG_DG190395,,C(n1ccc(CCCCC(=O)NO)n1)c2ccc(cc2)Br,,KUMOWDXVWDYLCE-UHFFFAOYSA-N
BMGC_DG15249,BMG_DG190402,C1=CC2=NNN=C2C=C1,c1ccc2[nH]nnc2c1,"InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)",QRUDEWIWKLJBPS-UHFFFAOYSA-N
BMGC_DG15250,BMG_DG190414,,C1CO[C@H](CNc2cc(Nc3ncc(C#N)nc3)ncc2C(F)(F)F)CN1,,YBYYWUUUGCNAHQ-NSHDSACASA-N
BMGC_DG15251,BMG_DG190427,C1=CC=C2C(=C1)N=CS2,c12c(scn1)cccc2,InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,IOJUPLGTWVMSFF-UHFFFAOYSA-N
BMGC_DG15252,BMG_DG190428,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)C,[C@]12([C@]([C@]3([C@@]([C@@]4([C@](CC3)(C[C@@H](CC4)OS(O)(=O)=O)[H])C)(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(NCC(O)=O)=O)C)[H])[H])C,"InChI=1S/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1",FHXBAFXQVZOILS-OETIFKLTSA-N
BMGC_DG15253,BMG_DG190431,,,,
BMGC_DG15254,BMG_DG190438,C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1",LXBIFEVIBLOUGU-KVTDHHQDSA-N
BMGC_DG15255,BMG_DG190439,C1CN[C@@H]([C@H]([C@@H]1O)O)CO,C(O)[C@@H]1[C@@H](O)[C@H](O)CCN1,"InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1",YZNNBIPIQWYLDM-HSUXUTPPSA-N
BMGC_DG15256,BMG_DG190443,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)[C@H](NC6=O)O)NC)OC,[C@@]12(n3c4c5c(c6c(c4c7c3cccc7)[C@H](NC6=O)O)c8c(n5[C@](O1)(C[C@H]([C@H]2OC)NC)[H])cccc8)C,"InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1",PBCZSGKMGDDXIJ-HQCWYSJUSA-N
BMGC_DG15257,BMG_DG190444,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O,O1c2c(c(O)cc(c2)O)C[C@H]([C@H]1c3cc(O)c(cc3)O)O,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",PFTAWBLQPZVEMU-UKRRQHHQSA-N
BMGC_DG15258,BMG_DG190445,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O,O1c2c(c(O)cc(c2)O)C[C@H]([C@H]1c3cc(O)c(c(c3)O)O)O,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1",XMOCLSLCDHWDHP-IUODEOHRSA-N
BMGC_DG15259,BMG_DG190449,C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)O,c1(cc(=O)c2c(o1)ccc(c2)O)-c3ccccc3,"InChI=1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H",GPZYYYGYCRFPBU-UHFFFAOYSA-N
BMGC_DG15260,BMG_DG190451,COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O,c12C(C[C@H](Oc1cc(cc2O)O)c3cc(O)c(cc3)OC)=O,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",AIONOLUJZLIMTK-AWEZNQCLSA-N
BMGC_DG15261,BMG_DG190455,C[C@@H](CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C,N1(c2c(ccc(c2)OC)Sc3c1cccc3)C[C@@H](CN(C)C)C,"InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1",VRQVVMDWGGWHTJ-CQSZACIVSA-N
BMGC_DG15262,BMG_DG190461,C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)O,c1(-c2c(ccc(c2)CC=C)O)c(ccc(c1)CC=C)O,"InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2",VVOAZFWZEDHOOU-UHFFFAOYSA-N
BMGC_DG15263,BMG_DG190462,COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC,N12[C@](c3cc(OC)c(cc3CC1)OC)(Cc4c(C2)c(c(cc4)OC)OC)[H],"InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1",AEQDJSLRWYMAQI-KRWDZBQOSA-N
BMGC_DG15264,BMG_DG190463,C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C,C=CCc1c(ccc(c1)-c2c(O)ccc(CC=C)c2)O,"InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2",FVYXIJYOAGAUQK-UHFFFAOYSA-N
BMGC_DG15265,BMG_DG190464,C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O,c1(c(c2ccccc2oc1)=O)-c3ccccc3,InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H,GOMNOOKGLZYEJT-UHFFFAOYSA-N
BMGC_DG15266,BMG_DG190467,COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)O)OC,c-12c(CC[n+]3cc4c(cc31)ccc(c4OC)OC)cc(c(c2)O)OC,"InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1",YYFOFDHQVIODOQ-UHFFFAOYSA-O
BMGC_DG15267,BMG_DG190470,,c12[nH]c3cc(OC)ccc3c1CCN4[C@]2(C[C@@]5(C(=CO[C@H]([C@]5([H])C4)C)C(=O)OC)[H])[H],,KXEMQEGRZWUKJS-RURTYGRKSA-N
BMGC_DG15268,BMG_DG190475,C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6,c-12c(CC[n+]3cc4c(cc31)ccc5c4OCO5)cc6c(OCO6)c2,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",XYHOBCMEDLZUMP-UHFFFAOYSA-N
BMGC_DG15269,BMG_DG190476,,[n+]12c(-c3cc(OC)c(cc3CC1)O)cc4c(c2)c(c(OC)cc4)OC,,MXTLAHSTUOXGQF-UHFFFAOYSA-O
BMGC_DG15270,BMG_DG190478,CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO,C[C@]12[C@@]([H])([C@@]3([H])[C@H](C(C)=C)CC[C@@]3(CC1)CO)CC[C@]4([H])[C@]5(C)[C@@]([H])(CC[C@]42C)C(C)(C)[C@@H](O)CC5,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",FVWJYYTZTCVBKE-ROUWMTJPSA-N
BMGC_DG15271,BMG_DG190479,CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F,n1([C@H]2[C@H]([C@H](O)[C@H](O2)CO)F)c([nH]c(c(c1)C)=O)=O,"InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m1/s1",GBBJCSTXCAQSSJ-JVZYCSMKSA-N
BMGC_DG15272,BMG_DG190486,,CN1CCc2cc(OC)c3cc2[C@@]1(Cc4ccc(Oc5cc(C[C@]6(c7c(O3)c(c(c(OC)c7CCN6C)OC)OC)[H])ccc5OC)cc4)[H],,FUZMQNZACIFDBL-KYJUHHDHSA-N
BMGC_DG15273,BMG_DG190487,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC,c12c(oc(cc1=O)-c3cc(OC)c(cc3)OC)c(OC)c(c(c2OC)OC)OC,"InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3",MRIAQLRQZPPODS-UHFFFAOYSA-N
BMGC_DG15274,BMG_DG190497,CC1=CC=CC=C1C,c1cccc(c1C)C,"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",CTQNGGLPUBDAKN-UHFFFAOYSA-N
BMGC_DG15275,BMG_DG190505,C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2C1=C[C@@H]([C@H]5O)O)OCO4,[C@@]12(c3c(cc4c(c3)OCO4)CN5[C@@]1(C(CC5)=C[C@@H]([C@H]2O)O)[H])[H],"InChI=1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14-,15+,16+/m0/s1",XGVJWXAYKUHDOO-DANNLKNASA-N
BMGC_DG15276,BMG_DG190508,CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO,,"InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3",FBWNMEQMRUMQSO-UHFFFAOYSA-N
BMGC_DG15277,BMG_DG190513,C1[C@H](NC(=O)S1)C(=O)O,O=C1SC[C@@H](C(=O)O)N1,"InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1",BMLMGCPTLHPWPY-REOHCLBHSA-N
BMGC_DG15278,BMG_DG190515,,[C@@]1([C@@H]([C@H]([C@H](O)[C@H](O1)CN)O)N)(O[C@H]2[C@@H]([C@H]([C@H](N)C[C@@H]2N)O)O)[H],,SYJXFKPQNSDJLI-HKEUSBCWSA-N
BMGC_DG15279,BMG_DG190517,,N[C@H]1[C@@H]([C@]([C@](O[C@H]2O[C@@H]([C@H](C[C@H]2N)O)CO)([C@H](C1)N)[H])(O[C@@H]3O[C@@H]([C@@H](O[C@@]4([C@@H]([C@H]([C@@]([C@@H](O4)CN)(O[C@H]5O[C@@H]([C@H]([C@@H]([C@@H]5O)O)O)CO)[H])O)N)[H])[C@H]3O)CO)[H])O,,DBLVDAUGBTYDFR-SWMBIRFSSA-N
BMGC_DG15280,BMG_DG190518,C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC,[C@H]1([C@H]([C@H](O[C@]2(O[C@@](CC[C@H]2N)([C@H](NC)C)[H])[H])[C@@H](N)C[C@H]1N)O)O[C@@]3([C@@H]([C@H]([C@](O)(C)CO3)NC)O)[H],"InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1",CEAZRRDELHUEMR-CAMVTXANSA-N
BMGC_DG15281,BMG_DG190519,,[C@H]1([C@H]([C@H](O[C@]2(O[C@@H](CC[C@H]2N)CN)[H])[C@@H](N)C[C@H]1N)O)O[C@@]3([C@@H]([C@@H](NC)[C@](CO3)(O)C)O)[H],,VEGXETMJINRLTH-BOZYPMBZSA-N
BMGC_DG15282,BMG_DG190526,CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O,n12c(-c3nc4cccc(c4cc3C1)N)cc5c(c2=O)COC(=O)[C@]5(O)CC,"InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1",FUXVKZWTXQUGMW-FQEVSTJZSA-N
BMGC_DG15283,BMG_DG190529,,Cc1ccccc1F,,MMZYCBHLNZVROM-UHFFFAOYSA-N
BMGC_DG15284,BMG_DG190536,CC(C)[C@H]1C(=O)N[C@@H](CC2=CNC3=C4C(=CC(=C23)N1C)[C@@](CC[C@]4(C)C=C)(C)C(C)C)CO,N1(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c3c(c4[C@@](C)(C=C)CC[C@](C)(C(C)C)c4cc31)[nH]c2,"InChI=1S/C28H41N3O2/c1-9-27(6)10-11-28(7,17(4)5)20-13-21-22-18(14-29-24(22)23(20)27)12-19(15-32)30-26(33)25(16(2)3)31(21)8/h9,13-14,16-17,19,25,29,32H,1,10-12,15H2,2-8H3,(H,30,33)/t19-,25-,27-,28+/m0/s1",PEYTUVXFLCCGCC-YGHSORLUSA-N
BMGC_DG15285,BMG_DG190537,CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C=O)NC(=O)C,N(C(C)=O)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C=O)CCCNC(=N)N)CC(C)C,"InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17-/m0/s1",GDBQQVLCIARPGH-ULQDDVLXSA-N
BMGC_DG15286,BMG_DG190539,CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C=O)NC(=O)OCC2=CC=CC=C2,C(C)(C)[C@H](NC(OCc1ccccc1)=O)C(=O)N[C@@H](Cc2ccccc2)C=O,"InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1",NGBKFLTYGSREKK-PMACEKPBSA-N
BMGC_DG15287,BMG_DG190541,COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O,[C@@]12([C@]([C@H](c3cc(OC)c(c(c3)OC)OC)c4c([C@@H]1O)cc5OCOc5c4)(C(=O)OC2)[H])[H],"InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19+,20-/m0/s1",YJGVMLPVUAXIQN-HAEOHBJNSA-N
BMGC_DG15288,BMG_DG190544,C1=CC=C(C(=C1)O)Br,c1ccc(c(c1)Br)O,"InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H",VADKRMSMGWJZCF-UHFFFAOYSA-N
BMGC_DG15289,BMG_DG190551,C1=CC=C(C(=C1)O)Cl,c1(c(cccc1)Cl)O,"InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H",ISPYQTSUDJAMAB-UHFFFAOYSA-N
BMGC_DG15290,BMG_DG190552,CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=NNC5=CC=CC(=C5)C(=N)N)N,[n+]1(c2c(ccc(c2)N)c3c(c1-c4ccccc4)cc(N/N=N/c5cc(C(=N)N)ccc5)cc3)CC,"InChI=1S/C28H25N7/c1-2-35-26-16-20(29)11-13-24(26)23-14-12-22(17-25(23)27(35)18-7-4-3-5-8-18)33-34-32-21-10-6-9-19(15-21)28(30)31/h3-17,29H,2H2,1H3,(H4,30,31,32,33)/p+1",UGKOYGZYLRKTJH-UHFFFAOYSA-O
BMGC_DG15291,BMG_DG190556,,c1ccc2c(c1)c(c[nH]2)-c3c[nH]c(C(=O)c4c[nH]c5cc(ccc45)O)n3,,TVPNFKRGOFJQOO-UHFFFAOYSA-N
BMGC_DG15292,BMG_DG190558,C1=CC2=NC(=CN=C2C(=C1)Cl)NS(=O)(=O)C3=CC=C(C=C3)N,S(Nc1nc2cccc(c2nc1)Cl)(c3ccc(cc3)N)(=O)=O,"InChI=1S/C14H11ClN4O2S/c15-11-2-1-3-12-14(11)17-8-13(18-12)19-22(20,21)10-6-4-9(16)5-7-10/h1-8H,16H2,(H,18,19)",CTSNHMQGVWXIEG-UHFFFAOYSA-N
BMGC_DG15293,BMG_DG190559,CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.OS(=O)(=O)[O-],,"InChI=1S/C55H83N17O21S3.H2O4S/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;1-5(2,3)4/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);(H2,1,2,3,4)/t21?,22?,23?,24?,25?,29-,30+,34?,35?,36?,37+,38+,39-,40-,41?,42-,43-,53+,54-;/m0./s1",WUIABRMSWOKTOF-OCBSMOPSSA-N
BMGC_DG15294,BMG_DG190561,CC1CN(CCN1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)C)F,c1(c(c2c(c(F)c(cc2n(c1)C3CC3)N4CC(C)NCC4)C)=O)C(=O)O,"InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)",AIJTTZAVMXIJGM-UHFFFAOYSA-N
BMGC_DG15295,BMG_DG190567,CC1=C(C=C(C=C1)O)C,c1c(cc(c(c1)C)C)O,"InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3",YCOXTKKNXUZSKD-UHFFFAOYSA-N
BMGC_DG15296,BMG_DG190571,C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C,[C@@]12(C([C@@H]([C@H]([C@H]([C@H](OC([C@@H]([C@]([C@@H]([C@]([C@H](C1)C)(O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)[H])C)(O[C@@H]4O[C@H]([C@H](O)[C@H](C4)OC)C)[H])C)=O)C)C)O)C)=O)OC2,"InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1",RZPAKFUAFGMUPI-QESOVKLGSA-N
BMGC_DG15297,BMG_DG190573,C[C@H](CC[C@H](C(C)C)OS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@@H](C4)NCCCNCCCCN)C)O)C,[C@]12([C@]([C@@]3([C@@H](C[C@@]4([C@@](CC[C@H](NCCCNCCCCN)C4)(C)[C@]3(CC1)[H])[H])O)[H])(CC[C@@]2([C@@H](CC[C@@H](OS(=O)(O)=O)C(C)C)C)[H])[H])C,"InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1",UIRKNQLZZXALBI-MSVGPLKSSA-N
BMGC_DG15298,BMG_DG190577,C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C2C=CN=C3N)O)O)CO,,"InChI=1S/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8-,10-,11+/m1/s1",XNJHAZWZQGXOSC-IALJFVCMSA-N
BMGC_DG15299,BMG_DG190579,C[C@]12CCCC([C@@H]1CC=C([C@@H]2C=O)C=O)(C)C,C[C@]12CCCC(C)(C)[C@]1([H])CC=C(C=O)[C@@H]2C=O;[C@@]12([C@@](CC=C([C@@H]1C=O)C=O)(C(C)(C)CCC2)[H])C,"InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13-,15+/m0/s1",AZJUJOFIHHNCSV-KCQAQPDRSA-N
BMGC_DG15300,BMG_DG190590,C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C,C/1C[C@@]2([C@@H]([C@@]3([C@@](CC/C(=C1)/C)(C(C(O3)=O)=C)[H])[H])O2)C,"InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13+,15+/m0/s1",KTEXNACQROZXEV-ZRPLFPEYSA-N;KTEXNACQROZXEV-PVLRGYAZSA-N
BMGC_DG15301,BMG_DG190591,,c12c([nH]c3c1cc(cc3)OC)c(C)c4c(c2C)cncc4,,BKRMCDAOAQWNTG-UHFFFAOYSA-N
BMGC_DG15302,BMG_DG190607,C1C[C@H](C(=O)N(C1)[C@H]2CN(CC[C@@H]2C(=O)N)C3=NC=NC(=C3F)N)NC4=CC(=CC(=C4)C(F)(F)F)Cl,C([C@H]1CCN(c2ncnc(N)c2F)C[C@@H]1N3CCC[C@@H](Nc4cc(Cl)cc(C(F)(F)F)c4)C3=O)(=O)N,"InChI=1S/C22H24ClF4N7O2/c23-12-6-11(22(25,26)27)7-13(8-12)32-15-2-1-4-34(21(15)36)16-9-33(5-3-14(16)19(29)35)20-17(24)18(28)30-10-31-20/h6-8,10,14-16,32H,1-5,9H2,(H2,29,35)(H2,28,30,31)/t14-,15+,16-/m0/s1",QLRRJMOBVVGXEJ-XHSDSOJGSA-N
BMGC_DG15303,BMG_DG190610,CCC[C@@H](CCO)NC1=NC(=NC(=C1CC2=C(C=C(C=C2)CN(CC(=O)O)CC(F)(F)F)OC)C)N,N(c1c(Cc2c(OC)cc(cc2)CN(CC(F)(F)F)CC(O)=O)c(C)nc(n1)N)[C@@H](CCC)CCO,"InChI=1S/C24H34F3N5O4/c1-4-5-18(8-9-33)30-22-19(15(2)29-23(28)31-22)11-17-7-6-16(10-20(17)36-3)12-32(13-21(34)35)14-24(25,26)27/h6-7,10,18,33H,4-5,8-9,11-14H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t18-/m0/s1",XWGKZKKNJOQUSG-SFHVURJKSA-N
BMGC_DG15304,BMG_DG190617,COC(=O)NC1=NC=C(C(=C1)C(F)(F)F)C2=NN3C=C(C=C3C(=N2)N4CCOCC4)CN5CCN(CC5)S(=O)(=O)C,C(c1cc2n(c1)nc(nc2N3CCOCC3)-c4c(C(F)(F)F)cc(nc4)NC(OC)=O)N5CCN(CC5)S(C)(=O)=O,"InChI=1S/C24H29F3N8O5S/c1-39-23(36)29-20-12-18(24(25,26)27)17(13-28-20)21-30-22(33-7-9-40-10-8-33)19-11-16(15-35(19)31-21)14-32-3-5-34(6-4-32)41(2,37)38/h11-13,15H,3-10,14H2,1-2H3,(H,28,29,36)",KTLQDDGRBDLKMN-UHFFFAOYSA-N
BMGC_DG15305,BMG_DG190693,,c1c(ccc(c1)C[C@@H](C(=O)O)N)OCc2ccccc2,,KAFHLONDOVSENM-HNNXBMFYSA-N
BMGC_DG15306,BMG_DG190695,,c1(c(Nc2c(cc(cc2)-c3cc(OC)c(Nc4c(C(=O)O)cccc4)cc3)OC)cccc1)C(=O)O,,IQZIRNIZQHVBMB-UHFFFAOYSA-N
BMGC_DG15307,BMG_DG190696,,c12c3C(c4ccccc4-c1ncnc2c(C(=O)O)cc3)=O,,NARZOZMHJMTCGC-UHFFFAOYSA-N
BMGC_DG15308,BMG_DG190722,,OC1C=2N(CC1)Cc3c(N2)cccc3,,YIICVSCAKJMMDJ-UHFFFAOYSA-N
BMGC_DG15309,BMG_DG190743,,c12c(c(C(F)(F)F)cc(o1)=O)cc3CCCN4c3c2CCC4,,VSSSHNJONFTXHS-UHFFFAOYSA-N
BMGC_DG15310,BMG_DG190790,,,,
BMGC_DG15311,BMG_DG190793,,c1(cc2ccccc2cc1O)C(=O)NN,,FDNAQCWUERCJBK-UHFFFAOYSA-N
BMGC_DG15312,BMG_DG190795,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,[C@@H]1([C@@H]([C@@H]([C@@H](Cl)[C@@H]([C@H]1Cl)Cl)Cl)Cl)Cl;Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H]1Cl;[C@H]1([C@H]([C@H](Cl)[C@@H]([C@H]([C@@H]1Cl)Cl)Cl)Cl)Cl;Cl[C@@H]1[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H]1Cl;[C@@H]1([C@@H]([C@@H](Cl)[C@@H]([C@H]([C@@H]1Cl)Cl)Cl)Cl)Cl,InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H,JLYXXMFPNIAWKQ-UHFFFAOYSA-N;JLYXXMFPNIAWKQ-LKPKBOIGSA-N;JLYXXMFPNIAWKQ-GPIVLXJGSA-N;JLYXXMFPNIAWKQ-GNIYUCBRSA-N;JLYXXMFPNIAWKQ-DCLYFUHFSA-N;JLYXXMFPNIAWKQ-CDRYSYESSA-N
BMGC_DG15313,BMG_DG190805,,O=S1(c2c(cccc2-c3ccc(N4CCN5CCC4CC5)cc31)F)=O,,JIGWWGDIEUWCOR-UHFFFAOYSA-N
BMGC_DG15314,BMG_DG190806,,O=S1(c2ccc(cc2-c3ccc(N4CCN5CCC4CC5)cc31)F)=O,,RCCDDPHPJBBTOH-UHFFFAOYSA-N
BMGC_DG15315,BMG_DG190809,CC1=NC=CC(=C1)C(=O)NC2=NC3=C(N2[C@@H]4CCCCN(C4)C(=O)/C=C/CN(C)C)C(=CC=C3)Cl,c1cc2c(c(c1)Cl)n(c(n2)NC(c3ccnc(c3)C)=O)[C@H]4CN(CCCC4)C(/C=C/CN(C)C)=O,"InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1",IOMMMLWIABWRKL-WUTDNEBXSA-N
BMGC_DG15316,BMG_DG190823,,C[C@@H](Oc1c(ncc(c1)-c2c(nc(s2)[C@](C)(O)CO)C)N)c3c(ccc(c3)F)-n4nccn4,,DIXMBHMNEHPFCX-MCMMXHMISA-N
BMGC_DG15317,BMG_DG190977,,C(C=C)(=O)Nc1c(c(ccc1)C)Nc2nc3ccc(cc3cn2)-c4c(c(cc(c4Cl)OC)OC)Cl,,TXEBNKKOLVBTFK-UHFFFAOYSA-N
BMGC_DG15318,BMG_DG191046,,c12-c(cc(c(c1)O)=O)oc3c(c2C)cc(O)c(c3)O,,TZVNNUHRZXQCHM-UHFFFAOYSA-N
BMGC_DG15319,BMG_DG191049,C1=CC=C(C=C1)[C@@H]2[C@H]([C@@]2(C(=O)NO)F)C3=CC=C(C=C3)C4=NC=C(C=N4)F,,"InChI=1S/C20H15F2N3O2/c21-15-10-23-18(24-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)20(17,22)19(26)25-27/h1-11,16-17,27H,(H,25,26)/t16-,17-,20+/m1/s1",MREATSZIGJDNKB-HLIPFELVSA-N
BMGC_DG15320,BMG_DG191056,C1=CC=C2C(=C1)N=C3C=C(C(=O)C=C3O2)N,Nc1cc2-c(oc3c(n2)cccc3)cc1=O,"InChI=1S/C12H8N2O2/c13-7-5-9-12(6-10(7)15)16-11-4-2-1-3-8(11)14-9/h1-6H,13H2",RDJXPXHQENRCNG-UHFFFAOYSA-N
BMGC_DG15321,BMG_DG191066,CC1(CCC2=C(O1)C(=O)C3=CC=CC=C3C2=O)C,C12=C(C(=O)c3c(C1=O)cccc3)CCC(O2)(C)C,"InChI=1S/C15H14O3/c1-15(2)8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-15/h3-6H,7-8H2,1-2H3",PJWHOPKRRBUSDH-UHFFFAOYSA-N
BMGC_DG15322,BMG_DG191068,,C12=C(C(=O)c3c(C1=O)cccc3)C=CC(O2)(C)C,,OWFHAMHRUCUSRM-UHFFFAOYSA-N
BMGC_DG15323,BMG_DG191074,C1CC12CN(C[C@H]2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)[C@@H]5C[C@@H]5F)F.C1CC12CN(C[C@H]2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)[C@@H]5C[C@@H]5F)F.O.O.O,n1(c2c(cc(c(N3CC4(CC4)[C@@H](C3)N)c2Cl)F)c(=O)c(C(=O)O)c1)[C@@H]5C[C@@H]5F.O.O.O.n1(c2c(cc(c(N3CC4(CC4)[C@@H](C3)N)c2Cl)F)c(c(C(=O)O)c1)=O)[C@@H]5C[C@@H]5F,"InChI=1S/2C19H18ClF2N3O3.3H2O/c2*20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19;;;/h2*3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28);3*1H2/t2*10-,12+,13+;;;/m00.../s1",MPORYQCGWFQFLA-ONPDANIMSA-N
BMGC_DG15324,BMG_DG191076,COC(=O)CCC=C=CC[C@@H]1[C@@H](C[C@@H]([C@H]1/C=C/[C@@H](COC2=CC=CC=C2)O)O)O,[C@H]1(/C=C/[C@@H](COc2ccccc2)O)[C@@H]([C@H](O)C[C@@H]1O)CC=C=CCCC(OC)=O,"InChI=1S/C23H30O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-22,24-26H,8,11-12,15-16H2,1H3/b14-13+/t2?,17-,19-,20-,21+,22-/m0/s1",BYNHBQROLKAEDQ-CNDPCGPLSA-N
BMGC_DG15325,BMG_DG191078,CC(=O)O.C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N,,"InChI=1S/C52H74N16O15S2.C2H4O2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37;1-2(3)4/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80);1H3,(H,3,4)/t31-,32-,33-,34-,35-,36-,37-,38-;/m0./s1",BYDVFOPTAIPAGA-LCGYVTRFSA-N
BMGC_DG15326,BMG_DG191086,CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)F,c1(c(cc(cc1)Nc2nc(c3c(n2)[nH]cc3)Oc4cccc(c4)NC(C=C)=O)F)N5CCN(CC5)C,"InChI=1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32)",UOFYSRZSLXWIQB-UHFFFAOYSA-N
BMGC_DG15327,BMG_DG191088,,c1(c2c(cccc2NCCN(CC)CC)sc3c1cccc3)=O,,LJDRCIHLYQOFIR-UHFFFAOYSA-N
BMGC_DG15328,BMG_DG191098,,c1(c(ccc2-c3c(c(c(cc3CCc12)O)C)C=C)O)C,,XNVMKPYDOHZJLR-UHFFFAOYSA-N
BMGC_DG15329,BMG_DG191101,,C(/C=C/c1ccccc1)=C2C(=O)NC(=O)NC2=O,,CRQHPZFBGAKYRX-QPJJXVBHSA-N
BMGC_DG15330,BMG_DG191104,,C1(C(NC(NC1=O)=S)=O)=Cc2ccc(cc2)N(C)C,,UOUVLKPLCQPNES-UHFFFAOYSA-N
BMGC_DG15331,BMG_DG191112,,S(=O)(=O)(O)c1c(O)c2c(c(N)c1O)C(=O)c3c(C2=O)cccc3,,AMXZGMCPHWGQGT-UHFFFAOYSA-N
BMGC_DG15332,BMG_DG191147,[CH3-].CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3],,"InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;-1;+3/p-2",ZFLASALABLFSNM-UHFFFAOYSA-L
BMGC_DG15333,BMG_DG191152,,n1ccc(c2ccc3c(ccnc3c12)C)C,,JIVLDFFWTQYGSR-UHFFFAOYSA-N
BMGC_DG15334,BMG_DG191157,CC1=CC2=C(C(=CN2CC3=C(C(=NC=N3)OC)C)C(=O)NCCO)N=C1,c12c(cc(cn1)C)n(cc2C(=O)NCCO)Cc3ncnc(c3C)OC,"InChI=1S/C18H21N5O3/c1-11-6-15-16(20-7-11)13(17(25)19-4-5-24)8-23(15)9-14-12(2)18(26-3)22-10-21-14/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25)",VDRYGTNDKXIPSK-UHFFFAOYSA-N
BMGC_DG15335,BMG_DG191183,,C1(C(c2cccnc2-c3c1cccn3)=O)=O,,KCALAFIVPCAXJI-UHFFFAOYSA-N
BMGC_DG15336,BMG_DG191187,,c1(c(c(cnn1-c2ccccc2)Cl)Cl)=O,,VKWCOHVAHQOJGU-UHFFFAOYSA-N
BMGC_DG15337,BMG_DG191189,,c1(NC(NC(c2ccccc2)=O)=S)ccccc1,,GVHZQIIMGRLFMX-UHFFFAOYSA-N
BMGC_DG15338,BMG_DG191191,,N1(C(SCN(C1)CCc2ccccc2)=S)CCc3ccccc3,,NYQTVLZGKQXVIT-UHFFFAOYSA-N
BMGC_DG15339,BMG_DG191203,,c12c(sc3c(c1=O)cccc3)c(CO)ccc2NCCN4CCCCC4,,WKUYEBVLTZDQDV-UHFFFAOYSA-N
BMGC_DG15340,BMG_DG191222,,Cc1cc(=O)oc2cc(ccc12)OCc3ccccc3,,RTORNQDWFDEDPT-UHFFFAOYSA-N
BMGC_DG15341,BMG_DG191229,,c1(cc(O)c(cc1O)-c2ccccc2)-c3ccccc3,,BVVCBZSERKSMIE-UHFFFAOYSA-N
BMGC_DG15342,BMG_DG191231,,c1(c(ccc(c1)Br)O)C=O,,MKKSTJKBKNCMRV-UHFFFAOYSA-N
BMGC_DG15343,BMG_DG191239,,C(CCC(c1ccccc1)=O)(=O)O,,KMQLIDDEQAJAGJ-UHFFFAOYSA-N
BMGC_DG15344,BMG_DG191247,,S(=O)(=O)(N)C,,HNQIVZYLYMDVSB-UHFFFAOYSA-N
BMGC_DG15345,BMG_DG191249,C1=CSC(=C1)S(=O)(=O)N,S(c1sccc1)(=O)(=O)N,"InChI=1S/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)",KTFDYVNEGTXQCV-UHFFFAOYSA-N
BMGC_DG15346,BMG_DG191251,CC(=O)NNC(=O)C,C(NNC(=O)C)(=O)C,"InChI=1S/C4H8N2O2/c1-3(7)5-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)",ZLHNYIHIHQEHJQ-UHFFFAOYSA-N
BMGC_DG15347,BMG_DG191252,C([C@@H](C(=O)O)N)S(=O)(=O)O,S(C[C@@H](C(=O)O)N)(=O)(=O)O,"InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1",XVOYSCVBGLVSOL-REOHCLBHSA-N
BMGC_DG15348,BMG_DG191260,,S(c1c(N)cccc1)(=O)(=O)N,,YAZSBRQTAHVVGE-UHFFFAOYSA-N
BMGC_DG15349,BMG_DG191271,,C1=C(c2ccccc2C(C1=O)=O)N,,IGONFFFOEMASIA-UHFFFAOYSA-N
BMGC_DG15350,BMG_DG191293,,c1(C(=O)O)c(nccc1)N,,KPIVDNYJNOPGBE-UHFFFAOYSA-N
BMGC_DG15351,BMG_DG191296,CC(=CC[C@H](CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=C(C=C(C=C3)O)O)C(=C)C)C,,"InChI=1S/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,15,23,26-29H,3,6,9,12H2,1-2,4H3/t15-,23+/m1/s1",XRYVAQQLDYTHCL-CMJOXMDJSA-N
BMGC_DG15352,BMG_DG191308,[O-2].[O-2].[O-2].[Mg+2].[Si+4],[Si+4].[O-2].[Mg+2].[O-2].[O-2],InChI=1S/Mg.3O.Si/q+2;3*-2;+4,ZADYMNAVLSWLEQ-UHFFFAOYSA-N
BMGC_DG15353,BMG_DG191799,CC1=NC=CN1CC2=NN=CC(=C2)C3=CC(=C(C=C3)F)C(F)F.Cl.Cl,c1(cc(ccc1F)-c2cnnc(c2)Cn3ccnc3C)C(F)F.Cl.Cl,"InChI=1S/C16H13F3N4.2ClH/c1-10-20-4-5-23(10)9-13-6-12(8-21-22-13)11-2-3-15(17)14(7-11)16(18)19;;/h2-8,16H,9H2,1H3;2*1H",OJBLXSPBJMGZDN-UHFFFAOYSA-N
BMGC_DG15354,BMG_DG191854,CCOC(=O)NCCCC(=O)NCCC1=CC=CC=C1,,"InChI=1S/C15H22N2O3/c1-2-20-15(19)17-11-6-9-14(18)16-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)",HTOYBIILVCHURC-UHFFFAOYSA-N
BMGC_DG15355,BMG_DG191858,CN1C(=O)C=CC(=N1)N2CCC(CC2)OC(=O)N3CCN(CC3)C4CCC4,Cn1c(=O)ccc(n1)N2CCC(CC2)OC(=O)N3CCN(CC3)C4CCC4,"InChI=1S/C19H29N5O3/c1-21-18(25)6-5-17(20-21)23-9-7-16(8-10-23)27-19(26)24-13-11-22(12-14-24)15-3-2-4-15/h5-6,15-16H,2-4,7-14H2,1H3",BVUJMFFRMZRNAT-UHFFFAOYSA-N
BMGC_DG15356,BMG_DG191862,CCC(CC)CNC(=O)CN1C=CC=C(C1=O)NC(=O)[C@H](CC/C=C/C(=O)OC)NC(=O)C2=CN=CN2C,CCC(CNC(Cn1cccc(NC([C@@H](NC(c2cncn2C)=O)CC/C=C/C(OC)=O)=O)c1=O)=O)CC,"InChI=1S/C26H36N6O6/c1-5-18(6-2)14-28-22(33)16-32-13-9-11-20(26(32)37)30-24(35)19(10-7-8-12-23(34)38-4)29-25(36)21-15-27-17-31(21)3/h8-9,11-13,15,17-19H,5-7,10,14,16H2,1-4H3,(H,28,33)(H,29,36)(H,30,35)/b12-8+/t19-/m0/s1",VHGWUSABWIEXKQ-BEBFYNPSSA-N
BMGC_DG15357,BMG_DG191863,C[C@@H](C1=C(C(=O)C2=C(O1)C=CC(=C2)F)C3=CC(=CC=C3)F)N4C5=NC=NC(=C5C(=N4)C6=CC(=C(C=C6)OC(C)C)F)N,c1(cc2c(cc1)oc(c(c2=O)-c3cc(ccc3)F)[C@@H](n4nc(c5c4ncnc5N)-c6ccc(c(c6)F)OC(C)C)C)F,"InChI=1S/C31H24F3N5O3/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29/h4-16H,1-3H3,(H2,35,36,37)/t16-/m0/s1",IUVCFHHAEHNCFT-INIZCTEOSA-N
BMGC_DG15358,BMG_DG191873,C1=C([C@H]([C@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O)CO,,"InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1",XUGWUUDOWNZAGW-VDAHYXPESA-N
BMGC_DG15359,BMG_DG191892,,c1ccc(cc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N,,JWDLYKTZCRIGNW-UHFFFAOYSA-N
BMGC_DG15360,BMG_DG191903,,n1ccc(c(c1)-c2cc(c(c(c2)F)O)F)-c3ccc(cc3)N4CCN(CC4)C,,IKUFKDGKRLMXEX-UHFFFAOYSA-N
BMGC_DG15361,BMG_DG191920,C1CC(=O)OC1,C1(OCCC1)=O,InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,YEJRWHAVMIAJKC-UHFFFAOYSA-N
BMGC_DG15362,BMG_DG191925,,c-12sc3cc(N(C)C)ccc3nc1ccc(c2)=O,,ALJHHTHBYJROOG-UHFFFAOYSA-N
BMGC_DG15363,BMG_DG191945,,NC(NCCC[C@H](NC)C(=O)O)=N,,NTWVQPHTOUKMDI-YFKPBYRVSA-N
BMGC_DG15364,BMG_DG191951,C1CC(CCC1OP(=O)([O-])OCC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3.[Na+].[Na+].[Na+].[Gd+3],,"InChI=1S/C33H44N3O14P.Gd.3Na/c37-28(38)18-34(15-16-35(19-29(39)40)20-30(41)42)17-26(36(21-31(43)44)22-32(45)46)23-49-51(47,48)50-27-11-13-33(14-12-27,24-7-3-1-4-8-24)25-9-5-2-6-10-25;;;;/h1-10,26-27H,11-23H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48);;;;/q;+3;3*+1/p-6",XGOSYNSWSRUASG-UHFFFAOYSA-H
BMGC_DG15365,BMG_DG191961,CC1=CC2=C(C=CC=C2N1C3=NC4=C(COCC4)C(=N3)NCC5=CC=CC=C5)C(=O)N,Cc1n(c2c(c1)c(C(N)=O)ccc2)-c3nc(NCc4ccccc4)c5c(n3)CCOC5,"InChI=1S/C24H23N5O2/c1-15-12-18-17(22(25)30)8-5-9-21(18)29(15)24-27-20-10-11-31-14-19(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28)",RDALZZCKQFLGJP-UHFFFAOYSA-N
BMGC_DG15366,BMG_DG191962,CN1C=C(C=N1)S(=O)(=O)N2CCC3=CC4=C(C[C@@]3(C2)C(=O)C5=NC=CC(=C5)C(F)(F)F)C=NN4C6=CC=C(C=C6)F,C([C@@]12CN(S(c3cnn(C)c3)(=O)=O)CCC1=Cc4n(-c5ccc(F)cc5)ncc4C2)(c6nccc(C(F)(F)F)c6)=O,"InChI=1S/C27H22F4N6O3S/c1-35-15-22(14-33-35)41(39,40)36-9-7-18-11-24-17(13-34-37(24)21-4-2-20(28)3-5-21)12-26(18,16-36)25(38)23-10-19(6-8-32-23)27(29,30)31/h2-6,8,10-11,13-15H,7,9,12,16H2,1H3/t26-/m0/s1",WANIDIGFXJFFEL-SANMLTNESA-N
BMGC_DG15367,BMG_DG191964,C1CN(C(=O)C(=C1O)C(=O)NCC(=O)O)CC2=CN=C(C=C2)OC3=CC=C(C=C3)Cl,c1c(Oc2ccc(CN3CCC(O)=C(C(NCC(=O)O)=O)C3=O)cn2)ccc(Cl)c1,"InChI=1S/C20H18ClN3O6/c21-13-2-4-14(5-3-13)30-16-6-1-12(9-22-16)11-24-8-7-15(25)18(20(24)29)19(28)23-10-17(26)27/h1-6,9,25H,7-8,10-11H2,(H,23,28)(H,26,27)",HMMHKGLPKAQOOH-UHFFFAOYSA-N
BMGC_DG15368,BMG_DG191992,CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC,c12c3[C@@](N(C)CCc3cc(c1OC)OC)(Cc4cc(Oc5ccc(C[C@]6(c7cc(O2)c(cc7CCN6C)OC)[H])cc5)c(cc4)OC)[H],"InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1",WVTKBKWTSCPRNU-KYJUHHDHSA-N
BMGC_DG15369,BMG_DG192002,,n1([C@@H]2C=C(CO)[C@H]([C@H]2O)O)cnc3c1ccnc3N,,OMKHWTRUYNAGFG-IEBDPFPHSA-N
BMGC_DG15370,BMG_DG192021,CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl,,"InChI=1S/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3/t13-/m0/s1",RDFCSSHDJSZMTQ-ZDUSSCGKSA-N
BMGC_DG15371,BMG_DG192048,CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C,CC(C)(C)c1ccc(c(c1)C(C)(C)C)O,"InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3",ICKWICRCANNIBI-UHFFFAOYSA-N
BMGC_DG15372,BMG_DG192049,CO[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)N2C3=C(C=CC=C3Cl)C4=C5C(=C6C7=C(C(=CC=C7)Cl)NC6=C42)C(=O)NC5=O)CO,O[C@H]1[C@H](n2c3c4c(c5C(=O)NC(c5c3c6c2c(Cl)ccc6)=O)c7cccc(c7[nH]4)Cl)O[C@@H]([C@H]([C@@H]1O)OC)CO,"InChI=1S/C27H21Cl2N3O7/c1-38-24-13(8-33)39-27(23(35)22(24)34)32-20-10(5-3-7-12(20)29)15-17-16(25(36)31-26(17)37)14-9-4-2-6-11(28)18(9)30-19(14)21(15)32/h2-7,13,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37)/t13-,22-,23-,24-,27-/m1/s1",QEHOIJJIZXRMAN-QZQSLCQPSA-N
BMGC_DG15373,BMG_DG192051,C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O,c12C(c3c(O[C@H]4[C@@H]([C@@H](O)[C@@H]([C@H](O4)CO)O)O)cccc3[C@](c1cc(cc2O)C(=O)O)([C@]5(c6c(c(O)cc(c6)C(=O)O)C(c7c5cccc7O[C@H]8[C@@H]([C@@H](O)[C@@H]([C@H](O8)CO)O)O)=O)[H])[H])=O,"InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1",IPQVTOJGNYVQEO-KGFNBKMBSA-N
BMGC_DG15374,BMG_DG192052,CC1=CN(C(=O)NC1=O)[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)F,n1([C@@H]2[C@@H]([C@@H](O)[C@@H](O2)CO)F)c([nH]c(c(c1)C)=O)=O,"InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m0/s1",GBBJCSTXCAQSSJ-XQXXSGGOSA-N
BMGC_DG15375,BMG_DG192075,C1=NC(=C2C(=N1)N(C=N2)C[C@@H](CO)O)N,,"InChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)1-5(15)2-14/h3-5,14-15H,1-2H2,(H2,9,10,11)/t5-/m0/s1",GSLQFBVNOFBPRJ-YFKPBYRVSA-N
BMGC_DG15376,BMG_DG192092,C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]1CC(CC2)(C)C)C,[C@@]12(C([C@@]3(CC(C)(C)CC[C@@]3(CC1)C)[H])=CC[C@@]4([C@]5(CC[C@@H](C([C@@]5(CC[C@@]24C)[H])(C)C)O)C)[H])C,"InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1",JFSHUTJDVKUMTJ-QHPUVITPSA-N
BMGC_DG15377,BMG_DG192142,,O1c2c(c(O)cc(c2)O)C[C@H]([C@@H]1c3cc(O)c(cc3)O)O,,PFTAWBLQPZVEMU-HIFRSBDPSA-N
BMGC_DG15378,BMG_DG192151,CC1=CC2=C(C=C1)NC=C2CN3CCC(CC3)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)N,,"InChI=1S/C26H31N5O/c1-17-6-7-25-22(12-17)19(15-29-25)16-31-10-8-20(9-11-31)30-26(32)23(27)13-18-14-28-24-5-3-2-4-21(18)24/h2-7,12,14-15,20,23,28-29H,8-11,13,16,27H2,1H3,(H,30,32)/t23-/m0/s1",HAGXHOXTZOWANA-QHCPKHFHSA-N
BMGC_DG15379,BMG_DG192154,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C,C=12[C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC1)[H])(CC[C@H](O)C4(C)C)C)[H])C)(CC[C@@]5([C@]2([C@H]([C@@H](CC5)C)C)[H])C)C,"InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1",FSLPMRQHCOLESF-SFMCKYFRSA-N
BMGC_DG15380,BMG_DG192156,,N#Cc1nccnc1,,PMSVVUSIPKHUMT-UHFFFAOYSA-N
BMGC_DG15381,BMG_DG192161,C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O,[C@@H]1([C@@H]([C@H]([C@H](O)[C@H](O1)COC(c2cc(c(c(c2)O)O)O)=O)OC(c3cc(c(c(c3)O)O)O)=O)OC(c4cc(c(c(c4)O)O)O)=O)OC(c5cc(c(c(c5)O)O)O)=O,"InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1",RATQVALKDAUZBW-XPMKZLBQSA-N
BMGC_DG15382,BMG_DG192170,,C([C@@H]1Oc2cc3oc(=O)ccc3cc2C1)(C)(C)O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4,,HXCGUCZXPFBNRD-DNLMCPORSA-N
BMGC_DG15383,BMG_DG192172,,C(O)(=O)[C@]12[C@](C=3[C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](O)[C@H](O)C5)[H])[H])([C@](C)(O)[C@H](C)CC2)[H],,OXVUXGFZHDKYLS-BLIWDXROSA-N
BMGC_DG15384,BMG_DG192182,,c12C(C[C@H](Oc1cc(cc2O)OC)c3ccccc3)=O,,ORJDDOBAOGKRJV-AWEZNQCLSA-N
BMGC_DG15385,BMG_DG192183,C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O,O=C1c2c(O[C@@H]([C@H]1O)c3ccccc3)cc(cc2O)O,"InChI=1S/C15H12O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,14-17,19H/t14-,15+/m0/s1",SUYJZKRQHBQNCA-LSDHHAIUSA-N
BMGC_DG15386,BMG_DG192188,COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC)OC,c12c(oc(cc1=O)-c3ccc(cc3)O)c(OC)c(c(c2O)OC)OC,"InChI=1S/C18H16O7/c1-22-16-14(21)13-11(20)8-12(9-4-6-10(19)7-5-9)25-15(13)17(23-2)18(16)24-3/h4-8,19,21H,1-3H3",SAMBWAJRKKEEOR-UHFFFAOYSA-N
BMGC_DG15387,BMG_DG192193,,C(C(C)(C)F)N1C(N)=N[C@]2(c3cc(ccc3C[C@@]24C[C@@H](C)[C@H](O)[C@H](C4)C)C#N)C1=O,,VLVUTDRUCRXHBN-MDGQXXJFSA-N
BMGC_DG15388,BMG_DG192201,CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CO)F,C1(N(c2cc(F)c(N3CCN(CC3)C(=O)CO)cc2)C[C@@H](O1)CNC(=O)C)=O,"InChI=1S/C18H23FN4O5/c1-12(25)20-9-14-10-23(18(27)28-14)13-2-3-16(15(19)8-13)21-4-6-22(7-5-21)17(26)11-24/h2-3,8,14,24H,4-7,9-11H2,1H3,(H,20,25)/t14-/m0/s1",SIMWTRCFFSTNMG-AWEZNQCLSA-N
BMGC_DG15389,BMG_DG192206,C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O,S(c1cc(C(=O)O)c(O)cc1)(=O)(=O)O,"InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)",YCPXWRQRBFJBPZ-UHFFFAOYSA-N
BMGC_DG15390,BMG_DG192223,,S(c1cc([N+](=O)[O-])c(Cl)cc1)(N)(=O)=O,,SPZGXONNVLTQDE-UHFFFAOYSA-N
BMGC_DG15391,BMG_DG192237,,C=1(C(=C(Cl)C(C(C1Cl)=O)=O)Cl)Cl,,VRGCYEIGVVTZCC-UHFFFAOYSA-N
BMGC_DG15392,BMG_DG192249,,OC(=O)Cc1cc(=O)[nH]c(=O)[nH]1,,NQAUNZZEYKWTHM-UHFFFAOYSA-N
BMGC_DG15393,BMG_DG192260,C1=CC(=C(C=C1Cl)SC2=C(C=CC(=C2)Cl)O)O,S(c1cc(Cl)ccc1O)c2cc(Cl)ccc2O,"InChI=1S/C12H8Cl2O2S/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16/h1-6,15-16H",ANUSOIHIIPAHJV-UHFFFAOYSA-N
BMGC_DG15394,BMG_DG192268,,Cn1cnc2c1c(=O)n(cn2)Cc3nc(no3)CCc4ccc(cc4)Cl,,AWJBWNUUODWOKQ-UHFFFAOYSA-N
BMGC_DG15395,BMG_DG192269,CC1(CCC2(CC1)[C@@]3([C@H]([C@@H](N2)C(=O)N[C@@H]4CC[C@H](OC4)C(=O)N)C5=C(C(=NC=C5)Cl)F)C6=C(C=C(C=C6)Cl)NC3=O)C,CC1(C)CCC2(CC1)[C@]3(c4c(NC3=O)cc(cc4)Cl)[C@@H](c5ccnc(c5F)Cl)[C@@H](N2)C(=O)N[C@@H]6CC[C@H](OC6)C(N)=O,"InChI=1S/C30H34Cl2FN5O4/c1-28(2)8-10-29(11-9-28)30(18-5-3-15(31)13-19(18)37-27(30)41)21(17-7-12-35-24(32)22(17)33)23(38-29)26(40)36-16-4-6-20(25(34)39)42-14-16/h3,5,7,12-13,16,20-21,23,38H,4,6,8-11,14H2,1-2H3,(H2,34,39)(H,36,40)(H,37,41)/t16-,20+,21+,23-,30-/m1/s1",RYAYYVTWKAOAJF-QISPRATLSA-N
BMGC_DG15396,BMG_DG192270,,[C@@]12([C@]3([C@@]([C@@]4([C@]([C@@]([C@H](CC4)O)(CO)C)(CC3)[H])C)(CC=C1[C@]5([C@](CCC(C5)(C)C)(CC2)C(=O)O)[H])[H])C)C,,PGOYMURMZNDHNS-MYPRUECHSA-N
BMGC_DG15397,BMG_DG192273,C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O,N12C(=C(S[C@H]3C[C@@H](CNS(=O)(=O)N)NC3)[C@@H]([C@]1([H])[C@](C2=O)([C@H](O)C)[H])C)C(O)=O,"InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1",AVAACINZEOAHHE-VFZPANTDSA-N
BMGC_DG15398,BMG_DG192279,,[C@@]12(C([C@@]3(CC(C)(C)CC[C@@]3([C@@H](C1)O)C(=O)O)[H])=CC[C@@]4([C@]5(CC[C@@H](C([C@@]5(CC[C@@]24C)[H])(C)C)O)C)[H])C,,YKOPWPOFWMYZJZ-PRIAQAIDSA-N
BMGC_DG15399,BMG_DG192283,,,,
BMGC_DG15400,BMG_DG192284,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)[nH]c(=O)[nH]c2=O,"InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1",DCTLYFZHFGENCW-UUOKFMHZSA-N
BMGC_DG15401,BMG_DG192288,CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N,c1(NC(Nc2c(cccc2)C)=N)c(cccc1)C,"InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)",OPNUROKCUBTKLF-UHFFFAOYSA-N
BMGC_DG15402,BMG_DG192290,COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O,C(N1C(=O)CCC1=O)COC(=O)/C=C/C(=O)OC,"InChI=1S/C11H13NO6/c1-17-10(15)4-5-11(16)18-7-6-12-8(13)2-3-9(12)14/h4-5H,2-3,6-7H2,1H3/b5-4+",YIMYDTCOUQIDMT-SNAWJCMRSA-N
BMGC_DG15403,BMG_DG192292,,c1(cc2c(cc1)nc(s2)/C=C/C=C/c3ccc(nc3)NC)O,,LBCRWMJTAFCLCL-ZUVMSYQZSA-N
BMGC_DG15404,BMG_DG192295,CCNC(=O)N1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F,C(N1CCN(CC1)CCCC(c2ccc(cc2)F)c3ccc(cc3)F)(=O)NCC,"InChI=1S/C23H29F2N3O/c1-2-26-23(29)28-16-14-27(15-17-28)13-3-4-22(18-5-9-20(24)10-6-18)19-7-11-21(25)12-8-19/h5-12,22H,2-4,13-17H2,1H3,(H,26,29)",NNAIYOXJNVGUOM-UHFFFAOYSA-N
BMGC_DG15405,BMG_DG192304,CN(CC=CC1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32,,"InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3",OZGNYLLQHRPOBR-UHFFFAOYSA-N
BMGC_DG15406,BMG_DG192312,,C(SC#N)C(=O)O[C@@H]1C(=O)[C@@]2([C@]3(C[C@@H](c4cocc4)OC([C@]3([H])CC[C@]2([C@H](C(=O)OC)C1)C)=O)C)[H],,AZPUAKGNQXURGA-ZWLNRFIDSA-N
BMGC_DG15407,BMG_DG192315,,C[C@@]12[C@@]3([C@@](C)([C@@H](OC(C)=O)C[C@]1([C@@](COC(CC)=O)(C)[C@@H](OC(C)=O)CC2)[H])Oc4c([C@@H]3O)c(=O)oc(c4)-c5cccnc5)[H],,HQJYCJFUVSNJFK-NIGCWPKYSA-N
BMGC_DG15408,BMG_DG192326,,C(/C=C\C/C=C\C/C=C\CC)CCCCCCC(NCc1cc(ccc1)OC)=O,,XKHCEDYSKNATME-YSTUJMKBSA-N
BMGC_DG15409,BMG_DG192334,,C[C@@]12[C@@]([H])([C@@H](C)OC[C@H](C)C(O)(C)C)CC[C@@]1([H])/C(/CCC2)=C/C=C\3/C[C@@H](O)C(=C)[C@H](O)C3,,UECLGFUOBJOZRT-PIOAYZOASA-N
BMGC_DG15410,BMG_DG192345,CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1,C([C@@H](NC(=O)OCc1ccccc1)CC(C)C)(N[C@H](C=O)CCCC)=O,"InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1",PGGUOGKHUUUWAF-ROUUACIJSA-N
BMGC_DG15411,BMG_DG192350,C1=CC(=CC=C1C(=O)NCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F,c1cc(ccc1F)C(NCCCCCC(N[C@@H](CCC(N[C@@H](CCCOP(=O)(O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)=O)C(O)=O)=O)=O,"InChI=1S/C28H40FN4O14P/c29-18-9-7-17(8-10-18)25(38)30-15-3-1-2-6-22(34)32-20(27(41)42)11-13-23(35)31-19(26(39)40)5-4-16-47-48(45,46)33-21(28(43)44)12-14-24(36)37/h7-10,19-21H,1-6,11-16H2,(H,30,38)(H,31,35)(H,32,34)(H,36,37)(H,39,40)(H,41,42)(H,43,44)(H2,33,45,46)/t19-,20-,21-/m0/s1",IZLOSIXADNUSCM-ACRUOGEOSA-N
BMGC_DG15412,BMG_DG192354,CCOC1=C(C=CC(=C1)C2=NN=CN2C)NC3=NC=C4C=C(N=C(C4=N3)NCC(C)(C)C)C,O(c1c(Nc2nc3c(NCC(C)(C)C)nc(cc3cn2)C)ccc(c1)-c4n(C)cnn4)CC,"InChI=1S/C24H30N8O/c1-7-33-19-11-16(22-31-27-14-32(22)6)8-9-18(19)29-23-25-12-17-10-15(2)28-21(20(17)30-23)26-13-24(3,4)5/h8-12,14H,7,13H2,1-6H3,(H,26,28)(H,25,29,30)",SGWLRDAOCLITOM-UHFFFAOYSA-N
BMGC_DG15413,BMG_DG192358,CC(C)(/C=C(\C#N)/C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)F)N)N6CCN(CC6)C7COC7,n1c(c2c(nc1)n(nc2-c3ccc(cc3F)Oc4ccccc4)[C@H]5CN(CCC5)C(/C(=C/C(N6CCN(CC6)C7COC7)(C)C)/C#N)=O)N,"InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18+/t25-/m1/s1",LCFFREMLXLZNHE-GBOLQPHISA-N
BMGC_DG15414,BMG_DG192359,,n1c(c2c(nc1)n(nc2-c3ccc(cc3F)Oc4ccccc4)[C@@H]5CN(CCC5)C(/C(=C/C(N6CCN(CC6)C7COC7)(C)C)/C#N)=O)N,,LCFFREMLXLZNHE-GRBCXPRBSA-N
BMGC_DG15415,BMG_DG192361,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,O=P(O[C@H]1O[C@@H]([C@@H](O)[C@H]1O)COP(=O)(O)O)(O)OP(=O)(O)O,"InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1",PQGCEDQWHSBAJP-TXICZTDVSA-N
BMGC_DG15416,BMG_DG192363,C[C@H]1[C@H]2C[N+]3=C(C[C@@H]2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4,,"InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/p+1/t12-,15-,16+/m0/s1",WYTGDNHDOZPMIW-VBNZEHGJSA-O
BMGC_DG15417,BMG_DG192367,C[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O,C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](O)CC3)[H])(C(=O)C=C4[C@@]2(C)CC[C@]5(C)[C@@]4(C[C@](C(O)=O)(C)CC5)[H])[H],"InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21+,22+,23-,26-,27+,28+,29-,30-/m1/s1",MPDGHEJMBKOTSU-PMTKVOBESA-N
BMGC_DG15418,BMG_DG192370,CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC,c12[C@H](N(C)CCc1cc(OC)c(c2)OC)Cc3cc(Oc4ccc(C[C@@H]5c6c(cc(c(c6)OC)OC)CCN5C)cc4)c(cc3)O,"InChI=1S/C38H44N2O6/c1-39-15-13-26-20-35(42-3)37(44-5)22-29(26)31(39)17-24-7-10-28(11-8-24)46-34-19-25(9-12-33(34)41)18-32-30-23-38(45-6)36(43-4)21-27(30)14-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m1/s1",AQASRZOCERRGBL-ROJLCIKYSA-N
BMGC_DG15419,BMG_DG192377,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)O)C)[C@@H]2[C@H]1C)C)C(=O)O,C[C@@H]1CC[C@]2([C@]([H])(C=3[C@](CC2)(C)[C@]4([C@]([C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@]5([C@@H](C4)O)[H])([H])CC3)C)[C@H]1C)C(=O)O,"InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21-,22+,23-,24+,26-,27+,28-,29-,30+/m1/s1",PRAUVHZJPXOEIF-AOLYGAPISA-N
BMGC_DG15420,BMG_DG192385,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-2].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[Bi+3],[Bi+3].[O-2].[OH-].[N+](=O)([O-])[O-].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-],InChI=1S/5Bi.4NO3.9H2O.O/c;;;;;4*2-1(3)4;;;;;;;;;;/h;;;;;;;;;9*1H2;/q5*+3;4*-1;;;;;;;;;;-2/p-9,QGWDKKHSDXWPET-UHFFFAOYSA-E
BMGC_DG15421,BMG_DG192406,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.N#[O+].O.O.[Na+].[Na+].[Fe+2],[C-]#N.[Na+].O.N#[O+].[Fe+2].O.[Na+].[C-]#N.[C-]#N.[C-]#N.[C-]#N,InChI=1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q5*-1;+2;3*+1;;,SPBWMYPZWNFWES-UHFFFAOYSA-N
BMGC_DG15422,BMG_DG192412,[CH3-].CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3],C=1/2N=C(/C=C/3\N=C(C(/C)=C/4\[N-][C@]([C@@H]([C@]4(CCC(NC[C@@H](OP(O[C@H]5[C@H]([C@@H](n6c7c(cc(c(c7)C)C)nc6)O[C@@H]5CO)O)([O-])=O)C)=O)C)CC(=O)N)([C@@]8(N=C(/C1/C)[C@H]([C@@]8(CC(=O)N)C)CCC(=O)N)C)[H])[C@H](C3(C)C)CCC(=O)N)[C@H]([C@@]2(CC(=O)N)C)CCC(=O)N.[Co+3].[CH3-],"InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;-1;+3/p-2/t31-,34+,35+,36+,37-,41+,52+,53+,56+,57-,59+,60-,61-,62-;;/m0../s1",ZFLASALABLFSNM-QBOHGLHMSA-L
BMGC_DG15423,BMG_DG192428,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+2],C=1/2N=C(/C=C/3\N=C(C(/C)=C/4\[N-][C@]([C@@H]([C@]4(CCC(NC[C@@H](OP(O[C@H]5[C@H]([C@@H](n6c7c(cc(c(c7)C)C)nc6)O[C@@H]5CO)O)([O-])=O)C)=O)C)CC(=O)N)([C@@]8(N=C(/C1/C)[C@H]([C@@]8(CC(=O)N)C)CCC(=O)N)C)[H])[C@H](C3(C)C)CCC(=O)N)[C@H]([C@@]2(CC(=O)N)C)CCC(=O)N.[Co+2],"InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+2/p-2/t31-,34+,35+,36+,37-,41+,52+,53+,56+,57-,59+,60-,61-,62-;/m0./s1",ASARMUCNOOHMLO-WLORSUFZSA-L
BMGC_DG15424,BMG_DG192517,,,,
BMGC_DG15425,BMG_DG192519,,,,
BMGC_DG15426,BMG_DG192671,C1CN(CCC1(CC2=CC=CC=C2)O)C(=O)C3=C(N=CC=C3)C4=CC=NC=C4,c1cccc(c1)CC2(CCN(CC2)C(c3cccnc3-c4ccncc4)=O)O,"InChI=1S/C23H23N3O2/c27-22(20-7-4-12-25-21(20)19-8-13-24-14-9-19)26-15-10-23(28,11-16-26)17-18-5-2-1-3-6-18/h1-9,12-14,28H,10-11,15-17H2",XKUZMIUSBMCVPP-UHFFFAOYSA-N
BMGC_DG15427,BMG_DG192672,CC(C)(C)/C=C(\C#N)/C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)F)N,Nc1c2c(n(nc2-c3c(F)cc(Oc4ccccc4)cc3)[C@H]5CN(C(/C(=C/C(C)(C)C)/C#N)=O)CCC5)ncn1,"InChI=1S/C30H30FN7O2/c1-30(2,3)15-19(16-32)29(39)37-13-7-8-20(17-37)38-28-25(27(33)34-18-35-28)26(36-38)23-12-11-22(14-24(23)31)40-21-9-5-4-6-10-21/h4-6,9-12,14-15,18,20H,7-8,13,17H2,1-3H3,(H2,33,34,35)/b19-15+/t20-/m1/s1",KZMQPYCXSAGLTB-ZWUNQBBJSA-N
BMGC_DG15428,BMG_DG192684,CC1=CN(C=N1)C2=CC=C3C(=O)N(CCN3C2=O)[C@@H](C)[C@@H]4CC[C@@H](O4)C5=CC(=C(C=C5C(F)(F)F)Cl)F,,"InChI=1S/C25H23ClF4N4O3/c1-13-11-32(12-31-13)19-3-4-20-24(36)33(7-8-34(20)23(19)35)14(2)21-5-6-22(37-21)15-9-18(27)17(26)10-16(15)25(28,29)30/h3-4,9-12,14,21-22H,5-8H2,1-2H3/t14-,21-,22+/m0/s1",AKCDDYGYIGPEKL-JQOQJDEVSA-N
BMGC_DG15429,BMG_DG192688,[2H]C([2H])([2H])OC1=C(C=C2[C@@H]3CC(=O)[C@H](CN3CCC2=C1)CC(C)C)OC([2H])([2H])[2H],N12[C@](c3cc(OC([2H])([2H])[2H])c(cc3CC1)OC([2H])([2H])[2H])(CC([C@H](C2)CC(C)C)=O)[H],"InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m0/s1/i3D3,4D3",MKJIEFSOBYUXJB-WEZHFFAMSA-N
BMGC_DG15430,BMG_DG192700,,C12=C[C@@H](C(N[C@]3(C(N4[C@@](O3)([C@@]5(CCCN5C([C@@H]4C(C)C)=O)[H])O)=O)C(C)C)=O)CN([C@@]1(Cc6c[nH]c7c6c2ccc7)[H])C,,UJYGDMFEEDNVBF-OGGGUQDZSA-N
BMGC_DG15431,BMG_DG192715,CN(C)C(=S)SC(=S)N(C)C,CN(C)C(SC(N(C)C)=S)=S,InChI=1S/C6H12N2S3/c1-7(2)5(9)11-6(10)8(3)4/h1-4H3,REQPQFUJGGOFQL-UHFFFAOYSA-N
BMGC_DG15432,BMG_DG192722,C[C@H]1[C@H](O1)P(=O)([O-])[O-].[Na+].[Na+],[Na+].[C@@H]1(O[C@H]1C)P([O-])([O-])=O.[Na+],"InChI=1S/C3H7O4P.2Na/c1-2-3(7-2)8(4,5)6;;/h2-3H,1H3,(H2,4,5,6);;/q;2*+1/p-2/t2-,3+;;/m0../s1",QZIQJIKUVJMTDG-JSTPYPERSA-L
BMGC_DG15433,BMG_DG192723,,C[C@]12[C@@]3(C)[C@@]([C@](CC3)([C@]4(C)OC(C)(C)CCC4)[H])([C@H](O)C[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](O)CC5)[H])[H])[H],,PVLHOJXLNBFHDX-XHJPDDKBSA-N
BMGC_DG15434,BMG_DG192726,CN1CCN(CC1)CC2=CC=C(C=C2)C3=CN=C(N=C3)N4CCO[C@@H](C4)CN5C6=NC(=CN=C6N=N5)C7=CN(N=C7)C,C(n1c2c(nn1)ncc(n2)-c3cn(nc3)C)[C@@H]4CN(CCO4)c5ncc(cn5)-c6ccc(cc6)CN7CCN(CC7)C,"InChI=1S/C29H34N12O/c1-37-7-9-39(10-8-37)17-21-3-5-22(6-4-21)23-13-31-29(32-14-23)40-11-12-42-25(19-40)20-41-28-27(35-36-41)30-16-26(34-28)24-15-33-38(2)18-24/h3-6,13-16,18,25H,7-12,17,19-20H2,1-2H3/t25-/m0/s1",PQJGYYZYYMVBDF-VWLOTQADSA-N
BMGC_DG15435,BMG_DG192746,,n1-2c(nc3c(c1=O)cccc3)C(=O)c4c2cccc4,,VQQVWGVXDIPORV-UHFFFAOYSA-N
BMGC_DG15436,BMG_DG192775,,C(C(CC(O)=O)Br)(=O)O,,QQWGVQWAEANRTK-UHFFFAOYSA-N
BMGC_DG15437,BMG_DG192782,,N1C(NC(C1=O)Cc2ccccc2)=O,,DBOMTIHROGSFTI-UHFFFAOYSA-N
BMGC_DG15438,BMG_DG192783,C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O,,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1",TUSDEZXZIZRFGC-XIGLUPEJSA-N
BMGC_DG15439,BMG_DG192785,COC1=CC(=C2C(=O)C[C@H](OC2=C1)C3=CC=C(C=C3)O)O,c12C(C[C@H](Oc1cc(cc2O)OC)c3ccc(cc3)O)=O,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",DJOJDHGQRNZXQQ-AWEZNQCLSA-N
BMGC_DG15440,BMG_DG192787,,c1(c(cc(\C=C\C(O)=O)cc1OC)OC)OC,,YTFVRYKNXDADBI-SNAWJCMRSA-N
BMGC_DG15441,BMG_DG192797,,,,
BMGC_DG15442,BMG_DG192802,C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CN,[C@@H](NC(=O)CN)(C(=O)N[C@H](C(=O)O)CCCCN)Cc1nc[nH]c1,"InChI=1S/C14H24N6O4/c15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9/h7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24)/t10-,11-/m0/s1",MVORZMQFXBLMHM-QWRGUYRKSA-N
BMGC_DG15443,BMG_DG192803,,C[C@]12CCCC(C)(C)[C@]1([H])C(=O)C=C3C=C(C(C)C)C(=O)C(O)=C32,,FNNZMRSRVYUVQT-AZUAARDMSA-N
BMGC_DG15444,BMG_DG192814,,O=C(O)/C=C/c1sccc1,,KKMZQOIASVGJQE-ONEGZZNKSA-N
BMGC_DG15445,BMG_DG192827,,O=C(c1c(N)sc(-c2c(F)cccc2F)n1)Nc3c(N4CC[C@@H](N)[C@H](F)CC4)n(C)nc3,,NHXVGMQFCYBLTL-ZWNOBZJWSA-N
BMGC_DG15446,BMG_DG192835,,[C@@]12(c3c(cccc3CCN1C)-c4c(C2)ccc(O)c4O)[H],,VMWNQDUVQKEIOC-ZDUSSCGKSA-N
BMGC_DG15447,BMG_DG192838,C1=COC(=C1)CO,c1(ccco1)CO,"InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2",XPFVYQJUAUNWIW-UHFFFAOYSA-N
BMGC_DG15448,BMG_DG192844,,Oc1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F,,JIWHKBAFGFPZKM-UHFFFAOYSA-N
BMGC_DG15449,BMG_DG192850,COC1=C(C=C(C=C1)/C=C/C(=O)O)O,C(=C/C(=O)O)\c1cc(O)c(cc1)OC,"InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",QURCVMIEKCOAJU-HWKANZROSA-N
BMGC_DG15450,BMG_DG192857,,C(c1ccccc1)[C@H](N)C(=O)OC,,VSDUZFOSJDMAFZ-VIFPVBQESA-N
BMGC_DG15451,BMG_DG192862,CN1[C@H](CCC[C@H]1CC(=O)C2=CC=CC=C2)C[C@@H](C3=CC=CC=C3)O,,"InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21+/m1/s1",MXYUKLILVYORSK-HKBOAZHASA-N
BMGC_DG15452,BMG_DG192865,C1CCN[C@H](C1)C(=O)O,N1[C@H](CCCC1)C(=O)O,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1",HXEACLLIILLPRG-RXMQYKEDSA-N
BMGC_DG15453,BMG_DG192871,COC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O,c1(cc(c2c(c1)O[C@@](CC2=O)(c3cc(c(cc3)O)OC)[H])O)O,"InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3/t13-/m0/s1",FTODBIPDTXRIGS-ZDUSSCGKSA-N
BMGC_DG15454,BMG_DG192875,C1=CSC(=C1)C=O,s1c(ccc1)C=O,InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H,CNUDBTRUORMMPA-UHFFFAOYSA-N
BMGC_DG15455,BMG_DG192876,,,,
BMGC_DG15456,BMG_DG192877,,CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@]4([H])[C@@]5(C)C[C@H]([C@@H]([C@@](C)(CO)[C@]5([H])CC[C@]43C)O)O)[C@]2([H])C1)C(=O)O,,RWNHLTKFBKYDOJ-DDHMHSPCSA-N
BMGC_DG15457,BMG_DG192881,C1=CC=C(C=C1)[As](=O)(O)O,[As](=O)(c1ccccc1)(O)O,"InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)",LVKZSFMYNWRPJX-UHFFFAOYSA-N
BMGC_DG15458,BMG_DG192904,C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@@H](C3(C)C)O)O)C,[C@@]12(CC[C@@]3([C@@]([C@]2(CC=C4[C@]1(CC[C@@]5([C@]4(CC(C)(C)CC5)[H])C(O)=O)C)[H])(C[C@@H](O)[C@@H](C3(C)C)O)C)[H])C,"InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1",MDZKJHQSJHYOHJ-LLICELPBSA-N
BMGC_DG15459,BMG_DG192910,CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2,C(CN(C(=O)n1cncc1)CCC)Oc2c(Cl)cc(cc2Cl)Cl,"InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3",TVLSRXXIMLFWEO-UHFFFAOYSA-N
BMGC_DG15460,BMG_DG192922,C1=C(NC=N1)/C=C/C(=O)O,c1(/C=C/C(O)=O)c[nH]cn1,"InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+",LOIYMIARKYCTBW-OWOJBTEDSA-N
BMGC_DG15461,BMG_DG192932,CN1CC[C@]23[C@@H]4[C@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O)OCCOCCOCCOCCOCCOCCOC,O[C@]12[C@@]34c5c(O[C@]3([C@H](CC1)OCCOCCOCCOCCOCCOCCOC)[H])c(OC)ccc5C[C@]2(N(CC4)C)[H],"InChI=1S/C31H49NO10/c1-32-9-8-30-27-23-4-5-24(35-3)28(27)42-29(30)25(6-7-31(30,33)26(32)22-23)41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-34-2/h4-5,25-26,29,33H,6-22H2,1-3H3/t25-,26+,29-,30-,31+/m0/s1",RQHILGKAOIGUHU-XPLSERNMSA-N
BMGC_DG15462,BMG_DG192936,,OC1c2c3c(c(c(c2C(O1)=O)O)C)OC(c4c(O3)c(C=O)c(cc4C)OC)=O,,SKCUFZLDTAYNBZ-UHFFFAOYSA-N
BMGC_DG15463,BMG_DG192939,C1=C(N=C(S1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N,,"InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1",INQLNSVYIFCUML-QZTLEVGFSA-N
BMGC_DG15464,BMG_DG192940,,OCC1CCN(Cc2ccccc2)CC1,,FLQPYEOKVZYXRL-UHFFFAOYSA-N
BMGC_DG15465,BMG_DG192958,C1=CC=C(C=C1)S(=O)(=O)N,,"InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)",KHBQMWCZKVMBLN-UHFFFAOYSA-N
BMGC_DG15466,BMG_DG192998,,C(#N)N1CCCC1,,QJRYYOWARFCJQZ-UHFFFAOYSA-N
BMGC_DG15467,BMG_DG193005,,c1ccc2ccnc(N)c2c1,,OSILBMSORKFRTB-UHFFFAOYSA-N
BMGC_DG15468,BMG_DG193070,,c1(cc(ccc1)N)S(N)(=O)=O,,JPVKCHIPRSQDKL-UHFFFAOYSA-N
BMGC_DG15469,BMG_DG193074,C1=CC(=CC(=C1)F)C2=CN(N=N2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)N5C=C(N=N5)C6=CC(=CC=C6)F)O)CO)O,[C@H]1([C@@H]([C@H]([C@](S[C@]2([C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3nnc(-c4cc(F)ccc4)c3)O)[H])(O[C@@H]1CO)[H])O)n5nnc(-c6cc(F)ccc6)c5)O,"InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1",YGIDGBAHDZEYMT-MQFIMZJJSA-N
BMGC_DG15470,BMG_DG193079,,n12CCCc3c(c(c(c(c13)nc2N4CCNCC4)C)Br)Br,,FSBMCTDYWXIBLM-UHFFFAOYSA-N
BMGC_DG15471,BMG_DG193082,CC1=CC=CC=C1CN2C(=O)C3=C(CCN(C3)CC4=CC=CC=C4)N5C2=NCC5,Cc1c(CN2C(=O)C3=C(CCN(C3)Cc4ccccc4)N5C2=NCC5)cccc1,"InChI=1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10H,11-17H2,1H3",VLULRUCCHYVXOH-UHFFFAOYSA-N
BMGC_DG15472,BMG_DG193224,,[nH]1c(noc1=O)-c2ccccc2,,LMBDRBXGTCUBIH-UHFFFAOYSA-N
BMGC_DG15473,BMG_DG193279,,c1(C(=O)O)ncccc1N,,BOOMHTFCWOJWFO-UHFFFAOYSA-N
BMGC_DG15474,BMG_DG193280,,c1c(cc2c(c1)c(ccn2)N3CCNCC3)Cl,,DNXNPMDUDGUXOB-UHFFFAOYSA-N
BMGC_DG15475,BMG_DG193287,,C(c1occc1)(C(=O)O)=O,,IXVPCJUAKDVYKX-UHFFFAOYSA-N
BMGC_DG15476,BMG_DG193293,,C(=O)(c1ccc(cc1O)O)c2ccc(cc2)O,,OKJFKPFBSPZTAH-UHFFFAOYSA-N
BMGC_DG15477,BMG_DG193303,,c1ccc2c(C(=O)C(=O)O)c[nH]c2c1,,DWLVFWDCSFTDOD-UHFFFAOYSA-N
BMGC_DG15478,BMG_DG193310,,C(CN)c1cc2c(cc1)OCO2,,RRIRDPSOCUCGBV-UHFFFAOYSA-N
BMGC_DG15479,BMG_DG193316,,C(c1ccc(OCc2ccccc2)cc1)(=O)O,,AQSCHALQLXXKKC-UHFFFAOYSA-N
BMGC_DG15480,BMG_DG193325,C1=CC(=CC=C1N)[As](=O)(O)O,[As](c1ccc(cc1)N)(=O)(O)O,"InChI=1S/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)",XKNKHVGWJDPIRJ-UHFFFAOYSA-N
BMGC_DG15481,BMG_DG193330,,,,
BMGC_DG15482,BMG_DG193332,CCC(C)CCCCC(=O)NC(CCNCS(=O)(=O)O)C(=O)NC(C(C)O)C(=O)NC(CCNCS(=O)(=O)O)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCNCS(=O)(=O)O)CC(C)C)CC(C)C)CCN)CCNCS(=O)(=O)O)C(C)O,,"InChI=1S/C57H108N16O25S4/c1-9-34(6)12-10-11-13-45(76)64-38(15-21-59-28-99(87,88)89)52(81)73-47(36(8)75)57(86)69-40(17-23-61-30-101(93,94)95)49(78)68-42-19-25-63-56(85)46(35(7)74)72-53(82)41(18-24-62-31-102(96,97)98)67-48(77)37(14-20-58)65-54(83)43(26-32(2)3)71-55(84)44(27-33(4)5)70-51(80)39(66-50(42)79)16-22-60-29-100(90,91)92/h32-44,46-47,59-62,74-75H,9-31,58H2,1-8H3,(H,63,85)(H,64,76)(H,65,83)(H,66,79)(H,67,77)(H,68,78)(H,69,86)(H,70,80)(H,71,84)(H,72,82)(H,73,81)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)",ZXYYNNMHQSUIER-UHFFFAOYSA-N
BMGC_DG15483,BMG_DG193356,CC(C)(C)C1=CC=C(C=C1)O,C(c1ccc(O)cc1)(C)(C)C,"InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3",QHPQWRBYOIRBIT-UHFFFAOYSA-N
BMGC_DG15484,BMG_DG193360,,,,
BMGC_DG15485,BMG_DG193362,C1=CC(=C(C=C1Cl)Cl)C(=O)CN2C=NC=N2,,"InChI=1S/C10H7Cl2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2",XOHMICFWUQPTNP-UHFFFAOYSA-N
BMGC_DG15486,BMG_DG193370,,N(S(=O)(=O)c1c([N+](=O)[O-])cccc1)c2c3c(ccc2)cccn3,,YCXUFEOBLVZNAP-UHFFFAOYSA-N
BMGC_DG15487,BMG_DG193415,[OH-].[OH-].[Mg+2],[Mg+2].[OH-].[OH-],InChI=1S/Mg.2H2O/h;2*1H2/q+2;;/p-2,VTHJTEIRLNZDEV-UHFFFAOYSA-L
BMGC_DG15488,BMG_DG193439,,Clc1c2c(cc(Cl)cc2)sc1C(O)=O,,AAHPIJMQJAZYTM-UHFFFAOYSA-N
BMGC_DG15489,BMG_DG193453,,S(c1ccc(Cl)cc1)(O)(=O)=O,,RJWBTWIBUIGANW-UHFFFAOYSA-N
BMGC_DG15490,BMG_DG193495,CC(C)(C)C1=CC=C(C=C1)C(=O)O,CC(C)(C)c1ccc(cc1)C(O)=O,"InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)",KDVYCTOWXSLNNI-UHFFFAOYSA-N
BMGC_DG15491,BMG_DG193514,C1CC(=O)N[C@@H]1C(=O)O,N1C(=O)CC[C@H]1C(=O)O,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",ODHCTXKNWHHXJC-VKHMYHEASA-N
BMGC_DG15492,BMG_DG193535,,,,
BMGC_DG15493,BMG_DG193537,,n1c2c(O)cccc2ccc1C(=O)O,,UHBIKXOBLZWFKM-UHFFFAOYSA-N
BMGC_DG15494,BMG_DG193539,CC(C1=CC=CC=C1)N,NC(c1ccccc1)C,"InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3",RQEUFEKYXDPUSK-UHFFFAOYSA-N
BMGC_DG15495,BMG_DG193582,,O=S(=O)(N)c1ccc(O)cc1,,DIRCLGLKRZLKHG-UHFFFAOYSA-N
BMGC_DG15496,BMG_DG193591,CC(=O)C1=CC=CC=C1,C(=O)(c1ccccc1)C,"InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3",KWOLFJPFCHCOCG-UHFFFAOYSA-N
BMGC_DG15497,BMG_DG193619,,c1(ccccc1)C(=O)S,,UIJGNTRUPZPVNG-UHFFFAOYSA-N
BMGC_DG15498,BMG_DG193621,,s1cc(C)nc1N,,OUQMXTJYCAJLGO-UHFFFAOYSA-N
BMGC_DG15499,BMG_DG193637,,c1c(C(=O)C)cc(N)cc1,,CKQHAYFOPRIUOM-UHFFFAOYSA-N
BMGC_DG15500,BMG_DG193645,,c1(C(O)=O)cc(ccc1)C,,GPSDUZXPYCFOSQ-UHFFFAOYSA-N
BMGC_DG15501,BMG_DG193646,,Oc1c(cc(cc1Cc2c(O)ccc(C)c2)C)Cc3c(O)ccc(C)c3,,MAQOZOILPAMFSW-UHFFFAOYSA-N
BMGC_DG15502,BMG_DG193651,,c1cc(C(O)=O)cc(c1)N,,XFDUHJPVQKIXHO-UHFFFAOYSA-N
BMGC_DG15503,BMG_DG193652,,O=P(OCC)(O)O,,ZJXZSIYSNXKHEA-UHFFFAOYSA-N
BMGC_DG15504,BMG_DG193662,C1=CC(=CC(=C1)O)C(=O)O,c1(cc(ccc1)O)C(O)=O,"InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)",IJFXRHURBJZNAO-UHFFFAOYSA-N
BMGC_DG15505,BMG_DG193663,,S1c2ccccc2N(C(=O)C)c3c1cccc3,,DNVNQWUERFZASD-UHFFFAOYSA-N
BMGC_DG15506,BMG_DG193667,,N1(C(C=CC1=O)=O)Cc2ccccc2,,MKRBAPNEJMFMHU-UHFFFAOYSA-N
BMGC_DG15507,BMG_DG193681,CC1=CC(=CC=C1)[N+](=O)[O-],c1(cc(ccc1)C)[N+]([O-])=O,"InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3",QZYHIOPPLUPUJF-UHFFFAOYSA-N
BMGC_DG15508,BMG_DG193688,,[C@H](C)(c1cc2c(cc1)[nH]c(s2)=O)c3nn(cc3)-c4ccc(cn4)OCCO,,HLTKOFPQDKJCAN-LBPRGKRZSA-N
BMGC_DG15509,BMG_DG193698,,c1(cc(cc(c1)O)O)C(O)=O,,UYEMGAFJOZZIFP-UHFFFAOYSA-N
BMGC_DG15510,BMG_DG193714,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O,[C@@H]1([C@@H]([C@H]([C@@H](O[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[H])O[C@@H]1CO)O)O)O,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1",HDTRYLNUVZCQOY-LIZSDCNHSA-N
BMGC_DG15511,BMG_DG193720,,c1(c(cc(cc1O)C(=O)OC)O)O,,FBSFWRHWHYMIOG-UHFFFAOYSA-N
BMGC_DG15512,BMG_DG193732,,c1ccccc1S(=O)(=O)Nc2ccccc2,,XAUGWFWQVYXATQ-UHFFFAOYSA-N
BMGC_DG15513,BMG_DG193735,,B(c1ccc(cc1)Cl)(O)O,,CAYQIZIAYYNFCS-UHFFFAOYSA-N
BMGC_DG15514,BMG_DG193736,C(CC(=O)O)CC(=O)O,C(=O)(O)CCCC(=O)O,"InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)",JFCQEDHGNNZCLN-UHFFFAOYSA-N
BMGC_DG15515,BMG_DG193742,,c1ccc(-c2nc3ccccc3nc2-c4ccccc4)cc1,,RSNQVABHABAKEZ-UHFFFAOYSA-N
BMGC_DG15516,BMG_DG193746,C1=CC=C2C(=C1)C(C3=CC=CC=C32)O,OC1c2c(cccc2)-c3c1cccc3,"InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H",AFMVESZOYKHDBJ-UHFFFAOYSA-N
BMGC_DG15517,BMG_DG193759,,c1(cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C(O)=O,,VYWYYJYRVSBHJQ-UHFFFAOYSA-N
BMGC_DG15518,BMG_DG193768,,Brc1c([C@H]2[C@@]3([C@](c4c(N2)cccc4)(C=CC3)[H])[H])cc5c(c1)OCO5,,YOLTZIVRJAPVPH-MJLGCCKJSA-N
BMGC_DG15519,BMG_DG193790,CNCC(=O)C1=CC(=C(C=C1)O)O,c1(cc(c(cc1)O)O)C(=O)CNC,"InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3",PZMVOUYYNKPMSI-UHFFFAOYSA-N
BMGC_DG15520,BMG_DG193907,CC(C)C1=CC(=CC=C1)C(C)C,c1(cc(ccc1)C(C)C)C(C)C,"InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3",UNEATYXSUBPPKP-UHFFFAOYSA-N
BMGC_DG15521,BMG_DG193919,C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-],[N+](c1cc([N+]([O-])=O)ccc1)([O-])=O,InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,WDCYWAQPCXBPJA-UHFFFAOYSA-N
BMGC_DG15522,BMG_DG193932,C1=CC(=CC=C1C(=O)CBr)Br,c1(ccc(Br)cc1)C(CBr)=O,"InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2",FKJSFKCZZIXQIP-UHFFFAOYSA-N
BMGC_DG15523,BMG_DG193947,COC(=O)C1=CC=C(C=C1)O,C(c1ccc(O)cc1)(=O)OC,"InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3",LXCFILQKKLGQFO-UHFFFAOYSA-N
BMGC_DG15524,BMG_DG193969,,N1(C(c2cccc3c2c1ccc3)=O)CC,,BYZKRKXJSNSHEE-UHFFFAOYSA-N
BMGC_DG15525,BMG_DG193975,,c1(S(=O)(=O)N)ccc(cc1)CCNC(=O)C,,IIMGUEXQORZTID-UHFFFAOYSA-N
BMGC_DG15526,BMG_DG194003,,c1ccc(cc1)OC=O,,GEOWCLRLLWTHDN-UHFFFAOYSA-N
BMGC_DG15527,BMG_DG194012,CC(C)C1=CC=C(C=C1)N,c1(C(C)C)ccc(N)cc1,"InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3",LRTFPLFDLJYEKT-UHFFFAOYSA-N
BMGC_DG15528,BMG_DG194035,CC(=O)C1=CC=C(C=C1)Cl,c1(C(C)=O)ccc(Cl)cc1,"InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3",BUZYGTVTZYSBCU-UHFFFAOYSA-N
BMGC_DG15529,BMG_DG194044,CC(=O)C1=CC=C(C=C1)O,C(c1ccc(cc1)O)(=O)C,"InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3",TXFPEBPIARQUIG-UHFFFAOYSA-N
BMGC_DG15530,BMG_DG194059,C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)O,,"InChI=1S/C13H8O3/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7,14H",WSACHQJPCNOREV-UHFFFAOYSA-N
BMGC_DG15531,BMG_DG194060,COC1=CC(=CC(=C1OC)O)C(=O)O,c1(c(cc(cc1OC)C(=O)O)O)OC,"InChI=1S/C9H10O5/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4,10H,1-2H3,(H,11,12)",WFIBQVFJXGQICQ-UHFFFAOYSA-N
BMGC_DG15532,BMG_DG194064,,s1c(ccc1C(=O)O)C,,VCNGNQLPFHVODE-UHFFFAOYSA-N
BMGC_DG15533,BMG_DG194075,CC1=CC=C(C=C1)[N+](=O)[O-],c1cc(ccc1C)[N+]([O-])=O,"InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3",ZPTVNYMJQHSSEA-UHFFFAOYSA-N
BMGC_DG15534,BMG_DG194093,CCCSS(=O)CCC,,"InChI=1S/C6H14OS2/c1-3-5-8-9(7)6-4-2/h3-6H2,1-2H3",XPRZAEWSYWTDSQ-UHFFFAOYSA-N
BMGC_DG15535,BMG_DG194106,CC(C)C1=C(C=CC(=C1)C(=O)N(C)CCCN(C)CCCN(C)C(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O)N3C(=CC(=N3)C(=O)NC4(C5CC6CC(C5)CC4C6)C(=O)O)C7=C(C=CC=C7OC)OC,N(C1(C2CC3CC(C2)CC1C3)C(=O)O)C(c4cc(-c5c(OC)cccc5OC)n(-c6ccc(C(=O)N(C)CCCN(C)CCCN(C)C(=O)CN7CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC7)cc6C(C)C)n4)=O,"InChI=1S/C58H84N10O13/c1-38(2)44-32-41(13-14-46(44)68-47(54-48(80-6)11-8-12-49(54)81-7)33-45(60-68)55(76)59-58(57(78)79)42-28-39-27-40(30-42)31-43(58)29-39)56(77)63(5)18-10-16-61(3)15-9-17-62(4)50(69)34-64-19-21-65(35-51(70)71)23-25-67(37-53(74)75)26-24-66(22-20-64)36-52(72)73/h8,11-14,32-33,38-40,42-43H,9-10,15-31,34-37H2,1-7H3,(H,59,76)(H,70,71)(H,72,73)(H,74,75)(H,78,79)",NQKDJWKHSVVCRZ-UHFFFAOYSA-N
BMGC_DG15536,BMG_DG194108,COC1=C(C=CC(=C1)F)C2=CC(=NC=C2F)NC3=NC=CC(=C3)CS(=N)(=O)C,,"InChI=1S/C19H18F2N4O2S/c1-27-17-8-13(20)3-4-14(17)15-9-19(24-10-16(15)21)25-18-7-12(5-6-23-18)11-28(2,22)26/h3-10,22H,11H2,1-2H3,(H,23,24,25)",YZCUMZWULWOUMD-UHFFFAOYSA-N
BMGC_DG15537,BMG_DG194119,,c1c(ccc(c1)C(=O)O)OC,,ZEYHEAKUIGZSGI-UHFFFAOYSA-N
BMGC_DG15538,BMG_DG194122,,c1ccc(C2=[N+]([O-])c3ccccc3C2=O)cc1,,WXFLHMJSSLDOPA-UHFFFAOYSA-N
BMGC_DG15539,BMG_DG194127,CN(C)C1=CC=C(C=C1)C=O,c1(ccc(C=O)cc1)N(C)C,"InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3",BGNGWHSBYQYVRX-UHFFFAOYSA-N
BMGC_DG15540,BMG_DG194201,,c1ccc(CCN)c(c1)O,,FMEVAQARAVDUNY-UHFFFAOYSA-N
BMGC_DG15541,BMG_DG194202,,c1c(OC)cccc1CCN,,WJBMRZAHTUFBGE-UHFFFAOYSA-N
BMGC_DG15542,BMG_DG194221,,,,
BMGC_DG15543,BMG_DG194227,,c1(c(CCN)cccc1)OC,,WSWPCNMLEVZGSM-UHFFFAOYSA-N
BMGC_DG15544,BMG_DG194255,,c1(C(O)=O)ccc(C(O)=O)nc1,,LVPMIMZXDYBCDF-UHFFFAOYSA-N
BMGC_DG15545,BMG_DG194473,C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O,C1(C(=C(C(c2ccccc12)=O)O)[C@H]3CC[C@H](CC3)c4ccc(cc4)Cl)=O;C1(=C(C(=O)c2c(C1=O)cccc2)O)[C@H]3CC[C@H](c4ccc(Cl)cc4)CC3,"InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,24H,5-8H2",BSJMWHQBCZFXBR-UHFFFAOYSA-N;KUCQYCKVKVOKAY-OTVXOJSOSA-N;KUCQYCKVKVOKAY-CTYIDZIISA-N
BMGC_DG15546,BMG_DG194479,C(C(=O)O)N,C(=O)(O)CN,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N
BMGC_DG15547,BMG_DG194484,CCCCCCCCC1CCC2(C1(CCC3(C2CCC4(C3(CC5=C(C4)N=C6CC7(C(CCC8C7(CCC9(C8(CCC9CCCCCCCC)C)C)C)(CC6=N5)C)C)C)C)C)C)C,,"InChI=1S/C60H100N2/c1-13-15-17-19-21-23-25-43-27-33-55(7)49-29-31-51(3)39-45-47(41-59(51,11)57(49,9)37-35-53(43,55)5)61-46-40-52(4)32-30-50-56(8)34-28-44(26-24-22-20-18-16-14-2)54(56,6)36-38-58(50,10)60(52,12)42-48(46)62-45/h43-44,49-50H,13-42H2,1-12H3",YRQNKMKHABXEJZ-UHFFFAOYSA-N
BMGC_DG15548,BMG_DG194493,,O=C1CCc2cc(OC)c(OC)cc21,,IHMQOBPGHZFGLC-UHFFFAOYSA-N
BMGC_DG15549,BMG_DG194504,,c1(C(=O)OCCCOC(c2c(O)cccc2)=O)c(O)cccc1,,RXRCNOIPYFJQPE-UHFFFAOYSA-N
BMGC_DG15550,BMG_DG194510,C1=CC=C(C=C1)CN,c1ccc(cc1)CN,"InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2",WGQKYBSKWIADBV-UHFFFAOYSA-N
BMGC_DG15551,BMG_DG194544,,c1(c(c(O)cc(c1)C(C)C)O)C(C)C,,VMYLKGAEBQHVPE-UHFFFAOYSA-N
BMGC_DG15552,BMG_DG194545,,C1(N(C(c2ccccc12)=O)Cc3ccccc3)=O,,WITXFYCLPDFRNM-UHFFFAOYSA-N
BMGC_DG15553,BMG_DG194583,,O=C(OC)c1cc(O)cc(O)c1,,RNVFYQUEEMZKLR-UHFFFAOYSA-N
BMGC_DG15554,BMG_DG194584,,c1(c(ccc(c1)O)O)C(OC)=O,,XGDPKUKRQHHZTH-UHFFFAOYSA-N
BMGC_DG15555,BMG_DG194598,C1=CC=C(C=C1)CS,c1ccc(CS)cc1,"InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",UENWRTRMUIOCKN-UHFFFAOYSA-N
BMGC_DG15556,BMG_DG194606,C(C(C=O)O)O,O=CC(O)CO,"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2",MNQZXJOMYWMBOU-UHFFFAOYSA-N
BMGC_DG15557,BMG_DG194607,C1=CC(=CN=C1)CO,n1cc(CO)ccc1,"InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2",MVQVNTPHUGQQHK-UHFFFAOYSA-N
BMGC_DG15558,BMG_DG194614,,C(CC(=O)O)(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)c3ccc(cc3)Cl,,LHIVWYJOCNGZRI-UHFFFAOYSA-N
BMGC_DG15559,BMG_DG194618,,C=C1CC(=O)OC1=O,,OFNISBHGPNMTMS-UHFFFAOYSA-N
BMGC_DG15560,BMG_DG194641,,c1c(NC(C#N)(C)C)cccc1,,NCTOGJVAFQWQOR-UHFFFAOYSA-N
BMGC_DG15561,BMG_DG194644,,O=C(Nc1cccc(Cl)c1)NC2CCCCC2,,WUPWWTKSYQSCFQ-UHFFFAOYSA-N
BMGC_DG15562,BMG_DG194679,C1=CC=C(C=C1)NN,c1(ccccc1)NN,"InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2",HKOOXMFOFWEVGF-UHFFFAOYSA-N
BMGC_DG15563,BMG_DG194695,C1=CC=C(C=C1)NO,c1(ccccc1)NO,"InChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H",CKRZKMFTZCFYGB-UHFFFAOYSA-N
BMGC_DG15564,BMG_DG194696,,n1([nH]c(=O)c2c1cccc2)Cc3ccccc3,,SXPJFDSMKWLOAB-UHFFFAOYSA-N
BMGC_DG15565,BMG_DG194702,COC1=CC=CC=C1,c1(OC)ccccc1,"InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3",RDOXTESZEPMUJZ-UHFFFAOYSA-N
BMGC_DG15566,BMG_DG194709,,OCC(C(O)=O)O,,RBNPOMFGQQGHHO-UHFFFAOYSA-N
BMGC_DG15567,BMG_DG194748,,,,
BMGC_DG15568,BMG_DG194756,,N(=N/c1nccs1)\c2c(O)cc(O)cc2,,SHNIKUXMZFPPCS-VAWYXSNFSA-N
BMGC_DG15569,BMG_DG194765,,C(=S)=NC(C)C,,VHBFEIBMZHEWSX-UHFFFAOYSA-N
BMGC_DG15570,BMG_DG194785,,Oc1c(ccc(O)c1)Cc2ccccc2,,QVFIWTNWKHFVEH-UHFFFAOYSA-N
BMGC_DG15571,BMG_DG194792,C(C(CO)O)O,C(C(CO)O)O,"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2",PEDCQBHIVMGVHV-UHFFFAOYSA-N
BMGC_DG15572,BMG_DG194793,,c1(cc(ccc1)C)OC,,OSIGJGFTADMDOB-UHFFFAOYSA-N
BMGC_DG15573,BMG_DG194812,C1=CC=C(C=C1)CS(=O)(=O)O,c1(CS(O)(=O)=O)ccccc1,"InChI=1S/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10)",NIXKBAZVOQAHGC-UHFFFAOYSA-N
BMGC_DG15574,BMG_DG194816,,CN1CCN(c2cc(N)nc(N)n2)CC1,,RBHNSRTVBDSNLG-UHFFFAOYSA-N
BMGC_DG15575,BMG_DG194818,C1CCC(CC1)NS(=O)(=O)O,S(NC1CCCCC1)(=O)(=O)O,"InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)",HCAJEUSONLESMK-UHFFFAOYSA-N
BMGC_DG15576,BMG_DG194846,,C(c1ccc(C#N)cc1)n2cncn2,,HQLYWHSJALKYOV-UHFFFAOYSA-N
BMGC_DG15577,BMG_DG194858,,P(O)(O)(OCC(O)CO)=O,,AWUCVROLDVIAJX-UHFFFAOYSA-N
BMGC_DG15578,BMG_DG194873,C[C@@H]1CN(C[C@@H](N1S(=O)(=O)C2=CC=CC3=C2CC(C3)C(=O)O)C)C4=CC=C(C=C4)OC(F)(F)F.CC1=CC=C(C=C1)S(=O)(=O)O,,"InChI=1S/C23H25F3N2O5S.C7H8O3S/c1-14-12-27(18-6-8-19(9-7-18)33-23(24,25)26)13-15(2)28(14)34(31,32)21-5-3-4-16-10-17(22(29)30)11-20(16)21;1-6-2-4-7(5-3-6)11(8,9)10/h3-9,14-15,17H,10-13H2,1-2H3,(H,29,30);2-5H,1H3,(H,8,9,10)/t14-,15+,17?;",SUTQDFLDQUPTKX-QVLMFNNZSA-N
BMGC_DG15579,BMG_DG194878,C1=NNC2=NC=NC(=C21)N,c12c(ncnc1N)[nH]nc2,"InChI=1S/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H3,6,7,8,9,10)",LHCPRYRLDOSKHK-UHFFFAOYSA-N
BMGC_DG15580,BMG_DG194879,,c12c(cccc1[nH]cc2)O,,NLMQHXUGJIAKTH-UHFFFAOYSA-N
BMGC_DG15581,BMG_DG194886,,N(=O)c1c(N)[nH]c(N)nc1=O,,HVMRLFSFHWCUCG-UHFFFAOYSA-N
BMGC_DG15582,BMG_DG194895,,O(c1ccc(cc1)CN)C,,IDPURXSQCKYKIJ-UHFFFAOYSA-N
BMGC_DG15583,BMG_DG194909,C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl,C(Nc1cc(Cl)c(cc1)Cl)(Nc2ccc(cc2)Cl)=O,"InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)",ICUTUKXCWQYESQ-UHFFFAOYSA-N
BMGC_DG15584,BMG_DG194913,,s1cc(-c2ccccc2)cc1,,ZDQZVKVIYAPRON-UHFFFAOYSA-N
BMGC_DG15585,BMG_DG194928,,Cc1cc(-c2cc(C)c(O)c(C)c2)cc(C)c1O,,YGYPMFPGZQPETF-UHFFFAOYSA-N
BMGC_DG15586,BMG_DG194944,,Cc1ccc(cc1)C(=O)C(=O)c2ccccc2,,QKFICTUTRIMBEX-UHFFFAOYSA-N
BMGC_DG15587,BMG_DG194990,,N1(c2ccncc2)CCCC1,,RGUKYNXWOWSRET-UHFFFAOYSA-N
BMGC_DG15588,BMG_DG194996,,Oc1c(cccc1)Cc2c(O)cccc2,,MQCPOLNSJCWPGT-UHFFFAOYSA-N
BMGC_DG15589,BMG_DG194998,CC(CC1CCCCC1)NC,N(C(CC1CCCCC1)C)C,"InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3",JCRIVQIOJSSCQD-UHFFFAOYSA-N
BMGC_DG15590,BMG_DG195048,,O=c1n2c([nH]c(c1)C)ncn2,,INVVMIXYILXINW-UHFFFAOYSA-N
BMGC_DG15591,BMG_DG195060,C1=CC=C(C=C1)NC2=CC=C(C=C2)N,c1cc(ccc1N)Nc2ccccc2,"InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2",ATGUVEKSASEFFO-UHFFFAOYSA-N
BMGC_DG15592,BMG_DG195097,,c1(cc(c2c([nH]1)cc(cc2)Cl)C)=O,,AMAMIEIWDWLEKT-UHFFFAOYSA-N
BMGC_DG15593,BMG_DG195113,C(C(=O)O)O,C(=O)(O)CO,"InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)",AEMRFAOFKBGASW-UHFFFAOYSA-N
BMGC_DG15594,BMG_DG195133,,C(C(NC)(C)C)(=O)O,,DLAMVQGYEVKIRE-UHFFFAOYSA-N
BMGC_DG15595,BMG_DG195159,,O=C(c1ccc(O)cc1)CCCC,,ZKCJJGOOPOIZTE-UHFFFAOYSA-N
BMGC_DG15596,BMG_DG195160,,O=C(c1ccc(O)cc1)CCCCCCC,,GPDYSJOGSNWMDZ-UHFFFAOYSA-N
BMGC_DG15597,BMG_DG195179,,c1ccc(cc1)C(C(O)=O)C(O)=O,,WWYDYZMNFQIYPT-UHFFFAOYSA-N
BMGC_DG15598,BMG_DG195192,CN1C=C(N=C1)CC(=O)O,n1c(CC(=O)O)cn(c1)C,"InChI=1S/C6H8N2O2/c1-8-3-5(7-4-8)2-6(9)10/h3-4H,2H2,1H3,(H,9,10)",ZHCKPJGJQOPTLB-UHFFFAOYSA-N
BMGC_DG15599,BMG_DG195195,C1=CC=C(C=C1)CCCN=C=S,C(=S)=NCCCc1ccccc1,"InChI=1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2",GRUOGLPIAPZLHJ-UHFFFAOYSA-N
BMGC_DG15600,BMG_DG195197,,C(CCCCCCCCCCC)OP(O)(O)=O,,TVACALAUIQMRDF-UHFFFAOYSA-N
BMGC_DG15601,BMG_DG195199,,N[C@H](c1ccccc1)C,,RQEUFEKYXDPUSK-ZETCQYMHSA-N
BMGC_DG15602,BMG_DG195201,C1CCC(CC1)NC2CCCCC2,C1(NC2CCCCC2)CCCCC1,"InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2",XBPCUCUWBYBCDP-UHFFFAOYSA-N
BMGC_DG15603,BMG_DG195208,,O=Cc1c(c(cc(c1)I)I)O,,MYWSBJKVOUZCIA-UHFFFAOYSA-N
BMGC_DG15604,BMG_DG195215,,c1cnccc1SSc2ccncc2,,UHBAPGWWRFVTFS-UHFFFAOYSA-N
BMGC_DG15605,BMG_DG195236,,c1(cc(Oc2cc(N)c(cc2)N)ccc1N)N,,RQBIGPMJQUKYAH-UHFFFAOYSA-N
BMGC_DG15606,BMG_DG195245,,c1ccccc1Oc2ccccc2N,,NMFFUUFPJJOWHK-UHFFFAOYSA-N
BMGC_DG15607,BMG_DG195267,C1=CC=NC(=C1)CCN,n1c(cccc1)CCN,"InChI=1S/C7H10N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5,8H2",XPQIPUZPSLAZDV-UHFFFAOYSA-N
BMGC_DG15608,BMG_DG195275,,c1c(cc(cc1F)O)F,,HJSSBIMVTMYKPD-UHFFFAOYSA-N
BMGC_DG15609,BMG_DG195277,,CCCCn1cnc2c(N)ncnc21,,BKXMJMZKKNIYRD-UHFFFAOYSA-N
BMGC_DG15610,BMG_DG195284,C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N,C(Nc1ccccc1)(Nc2ccccc2)=N,"InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)",OWRCNXZUPFZXOS-UHFFFAOYSA-N
BMGC_DG15611,BMG_DG195285,,Nc1ccccc1NC(=O)c2ccccc2,,RFDVMOUXHKTCDO-UHFFFAOYSA-N
BMGC_DG15612,BMG_DG195292,C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2,c1(NC(Nc2ccccc2)=O)ccccc1,"InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)",GWEHVDNNLFDJLR-UHFFFAOYSA-N
BMGC_DG15613,BMG_DG195325,C1CN(CCN1)CC2=CC=CC=C2,c1ccc(cc1)CN2CCNCC2,"InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2",IQXXEPZFOOTTBA-UHFFFAOYSA-N
BMGC_DG15614,BMG_DG195329,C(=O)C(=O)O,C(=O)C(=O)O,"InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)",HHLFWLYXYJOTON-UHFFFAOYSA-N
BMGC_DG15615,BMG_DG195339,,CCCC[N+]#[C-],,FSBLVBBRXSCOKU-UHFFFAOYSA-N
BMGC_DG15616,BMG_DG195343,,c12c(c(=O)n(c(n1C)=O)C)n(CCCCl)cn2,,MORVOYPJRATMRS-UHFFFAOYSA-N
BMGC_DG15617,BMG_DG195400,,s1cccc1C(=O)OCC,,JZGZKRJVTIRPOK-UHFFFAOYSA-N
BMGC_DG15618,BMG_DG195416,C[C@@H]1CNS(=O)(=O)N(C1)C2=CC3=C(C=C2)C(=NC=C3)C#N,c1(nccc2cc(ccc12)N3S(NC[C@H](C3)C)(=O)=O)C#N,"InChI=1S/C14H14N4O2S/c1-10-8-17-21(19,20)18(9-10)12-2-3-13-11(6-12)4-5-16-14(13)7-15/h2-6,10,17H,8-9H2,1H3/t10-/m1/s1",ZKAVFOXYJCREBQ-SNVBAGLBSA-N
BMGC_DG15619,BMG_DG195426,CC(CC1CCCC1)NC,N(C(CC1CCCC1)C)C,"InChI=1S/C9H19N/c1-8(10-2)7-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3",HFXKQSZZZPGLKQ-UHFFFAOYSA-N
BMGC_DG15620,BMG_DG195428,,c1(ccc(c(c1)C)O)N,,HDGMAACKJSBLMW-UHFFFAOYSA-N
BMGC_DG15621,BMG_DG195437,,c12c(ncnc1nc[nH]2)N3CCOCC3,,MEOMXKNIFWDDGZ-UHFFFAOYSA-N
BMGC_DG15622,BMG_DG195454,,c1(cc(c(OC)cc1)N)OC,,NAZDVUBIEPVUKE-UHFFFAOYSA-N
BMGC_DG15623,BMG_DG195458,,c1cccc2c1nc3cccc(c3n2)OC,,ZYDGCYWJDWIJCS-UHFFFAOYSA-N
BMGC_DG15624,BMG_DG195467,CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)O,[nH]1c(c(c2cc(ccc12)OC)CC(=O)O)C,"InChI=1S/C12H13NO3/c1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7/h3-5,13H,6H2,1-2H3,(H,14,15)",TXWGINUZLBAKDF-UHFFFAOYSA-N
BMGC_DG15625,BMG_DG195492,,c1ccc2C(c3ccccc3)=NCC(=O)Nc2c1,,IVUAAOBNUNMJQC-UHFFFAOYSA-N
BMGC_DG15626,BMG_DG195494,C(CO)N(CCO)CCO,N(CCO)(CCO)CCO,"InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2",GSEJCLTVZPLZKY-UHFFFAOYSA-N
BMGC_DG15627,BMG_DG195565,B(O)(O)O,B(O)(O)O,InChI=1S/BH3O3/c2-1(3)4/h2-4H,KGBXLFKZBHKPEV-UHFFFAOYSA-N
BMGC_DG15628,BMG_DG195568,CC1=CC(=CC(=C1CCS(=O)(=O)N2CCC3(CC2)C(=O)NC(=N3)C4=CC=C(C=C4)OC(F)(F)F)C)N5C(=O)NC(=O)C5(C)C,c1cc(ccc1OC(F)(F)F)C2=NC3(C(N2)=O)CCN(CC3)S(CCc4c(cc(cc4C)N5C(C(NC5=O)=O)(C)C)C)(=O)=O,"InChI=1S/C29H32F3N5O6S/c1-17-15-20(37-26(40)34-24(38)27(37,3)4)16-18(2)22(17)9-14-44(41,42)36-12-10-28(11-13-36)25(39)33-23(35-28)19-5-7-21(8-6-19)43-29(30,31)32/h5-8,15-16H,9-14H2,1-4H3,(H,33,35,39)(H,34,38,40)",LDZJFVOUPUFOHX-UHFFFAOYSA-N
BMGC_DG15629,BMG_DG195580,CCN1C=NC2=C1N=NC=C2C3=CC(=C(C=C3)F)C4=C(C=C(C=C4)S(=O)(=O)CC)OC,n1ncc(c2c1n(cn2)CC)-c3cc(c(cc3)F)-c4c(cc(cc4)S(CC)(=O)=O)OC,"InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3",PTTQXDBPTFOCMT-UHFFFAOYSA-N
BMGC_DG15630,BMG_DG195588,C(C(=O)O)N=C(N)N,C(=N)(NCC(=O)O)N,"InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)",BPMFZUMJYQTVII-UHFFFAOYSA-N
BMGC_DG15631,BMG_DG195599,,C1C[C@]2([C@](C(C1=O)(C)C)(CC[C@]3([C@]2([C@H](CC=4[C@@]3(C[C@]5(C4[C@@H](C[C@](O5)([C@H](C(C)(C)O)O)[H])C)[H])C)O)[H])C)[H])C,,YNKJSQIXVXWFBK-SLGDLKFASA-N
BMGC_DG15632,BMG_DG195603,CN1CC[C@]23[C@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=CC4)OC(=O)C6=CC=CC=C6,,"InChI=1S/C25H25NO4/c1-26-13-12-25-17-9-11-20(29-24(27)15-6-4-3-5-7-15)23(25)30-22-19(28-2)10-8-16(21(22)25)14-18(17)26/h3-8,10-11,17-18,23H,9,12-14H2,1-2H3/t17-,18-,23+,25+/m1/s1",VPMRSLWWUXNYRY-NDOYXKHWSA-N
BMGC_DG15633,BMG_DG195613,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O.CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O.CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O,,"InChI=1S/2C22H34O2.C22H32O2.C21H32O2.C20H32O2.C20H30O2.C18H32O2.2C18H30O2/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-21H2,1H3,(H,23,24);3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24);3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24);3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-20H2,1H3,(H,22,23);3-4,6-7,9-10,12-13H,2,5,8,11,14-19H2,1H3,(H,21,22);3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22);6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20);3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-,16-15-,19-18-;4-3-,7-6-,10-9-,13-12-,16-15-;4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;4-3-,7-6-,10-9-,13-12-,16-15-;4-3-,7-6-,10-9-,13-12-;4-3-,7-6-,10-9-,13-12-,16-15-;7-6-,10-9-;7-6-,10-9-,13-12-;4-3-,7-6-,10-9-",QIQSYARFOIKJJR-LUTWCBITSA-N
BMGC_DG15634,BMG_DG195617,C[C@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@@H]3C[C@]([C@@H]([C@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@@H](O4)C)N(C)C,,"InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25+,26+,27-,28-,29+,30+,31-,32+,34+,35-,36-,37-,38-,39+,40+,41-,42+,43+/m1/s1",ACTOXUHEUCPTEW-IMDCDJEBSA-N
BMGC_DG15635,BMG_DG195626,,c1(cc(c(cc1)C(OCc2ccccc2)Cn3ccnc3)Cl)Cl,,CSENVQMNWOFZIZ-UHFFFAOYSA-N
BMGC_DG15636,BMG_DG195655,C1=CC=C(C=C1)COC2=CC=C(C=C2)O,O(c1ccc(cc1)O)Cc2ccccc2,"InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2",VYQNWZOUAUKGHI-UHFFFAOYSA-N
BMGC_DG15637,BMG_DG195669,,,,
BMGC_DG15638,BMG_DG195682,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,C(=O)(OCC(CC)CCCC)CCCCC(=O)OCC(CC)CCCC,"InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3",SAOKZLXYCUGLFA-UHFFFAOYSA-N
BMGC_DG15639,BMG_DG195702,,C(=O)c1cnc[nH]1,,ZQEXIXXJFSQPNA-UHFFFAOYSA-N
BMGC_DG15640,BMG_DG195732,,CC(C)CN(CC(C)C)C(=S)SSC(=S)N(CC(C)C)CC(C)C,,QOTYLQBPNZRMNL-UHFFFAOYSA-N
BMGC_DG15641,BMG_DG195738,,N1(SSN2CCOCC2)CCOCC1,,HLBZWYXLQJQBKU-UHFFFAOYSA-N
BMGC_DG15642,BMG_DG195758,,N(CCN(CCN(C)C)C)(CCN(C)C)C,,DWFKOMDBEKIATP-UHFFFAOYSA-N
BMGC_DG15643,BMG_DG195806,,c1ccccc1S(=O)(=O)Cc2ccccc2,,FABCMLOTUSCWOR-UHFFFAOYSA-N
BMGC_DG15644,BMG_DG195839,CCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O,Oc1cc(O)cc(CCCCCCCCCCCCCCC)c1,"InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3",KVVSCMOUFCNCGX-UHFFFAOYSA-N
BMGC_DG15645,BMG_DG195846,,O=C(NC(=N)N)c1ccccc1,,AJDQRQQNNLZLPM-UHFFFAOYSA-N
BMGC_DG15646,BMG_DG195848,COC1=CC(=C(C=C1)OC)CCN,c1(c(ccc(c1)OC)OC)CCN,"InChI=1S/C10H15NO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-4,7H,5-6,11H2,1-2H3",WNCUVUUEJZEATP-UHFFFAOYSA-N
BMGC_DG15647,BMG_DG195866,,Oc1cc(O)c(C(=O)OC)c(c1)C,,NCCWCZLEACWJIN-UHFFFAOYSA-N
BMGC_DG15648,BMG_DG195892,CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N,C(O)CC(N1CCC(c2nn(CC)c(-c3cnc(N)c(-c4oc(C(C)(C)C)nn4)n3)n2)CC1)=O,"InChI=1S/C22H31N9O3/c1-5-31-19(26-18(29-31)13-6-9-30(10-7-13)15(33)8-11-32)14-12-24-17(23)16(25-14)20-27-28-21(34-20)22(2,3)4/h12-13,32H,5-11H2,1-4H3,(H2,23,24)",ZGRDYKFVDCFJCZ-UHFFFAOYSA-N
BMGC_DG15649,BMG_DG195900,,c1ccc(c(c1)C(=O)Nc2c(C#N)c3CCCCc3s2)F,,YVYPYORTKAIUGJ-UHFFFAOYSA-N
BMGC_DG15650,BMG_DG195904,C(=O)(O)O,,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)",BVKZGUZCCUSVTD-UHFFFAOYSA-N
BMGC_DG15651,BMG_DG195926,C1=CC=C(C=C1)N=C=S,c1(ccccc1)N=C=S,InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H,QKFJKGMPGYROCL-UHFFFAOYSA-N
BMGC_DG15652,BMG_DG195941,,c1cc(C)ccc1CCN,,VKJXAQYPOTYDLO-UHFFFAOYSA-N
BMGC_DG15653,BMG_DG195959,C1=CC(=CC=C1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O,N1(C(C=CC1=O)=O)c2ccc(N3C(C=CC3=O)=O)cc2,InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H,AQGZJQNZNONGKY-UHFFFAOYSA-N
BMGC_DG15654,BMG_DG195975,,N#CCc1ccc(cc1)C(C)(C)C,,QKJPXROEIJPNHG-UHFFFAOYSA-N
BMGC_DG15655,BMG_DG195979,,C(c1ccc(OC)cc1)(=O)NN,,REKQLYUAUXYJSZ-UHFFFAOYSA-N
BMGC_DG15656,BMG_DG195987,C#N,N#C,InChI=1S/CHN/c1-2/h1H,LELOWRISYMNNSU-UHFFFAOYSA-N
BMGC_DG15657,BMG_DG195991,CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N,,"InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t9-,10-/m0/s1",LCPYQJIKPJDLLB-UWVGGRQHSA-N
BMGC_DG15658,BMG_DG196047,C1CC2=C(NC1)N=C(C=C2)CCCN3CCN(C3=O)[C@@H](CC(=O)O)C4=CN=C(C=C4)OC(F)F,c12nc(ccc1CCCN2)CCCN3C(N(CC3)[C@@H](CC(O)=O)c4cnc(cc4)OC(F)F)=O,"InChI=1S/C23H27F2N5O4/c24-22(25)34-19-8-6-16(14-27-19)18(13-20(31)32)30-12-11-29(23(30)33)10-2-4-17-7-5-15-3-1-9-26-21(15)28-17/h5-8,14,18,22H,1-4,9-13H2,(H,26,28)(H,31,32)/t18-/m0/s1",IGUVQCZYMKVWFL-SFHVURJKSA-N
BMGC_DG15659,BMG_DG196048,C[C@H]1CNCCN1C2=NC=C(C(=C2)OC)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl,O(C)c1c(cnc(c1)N2[C@@H](C)CNCC2)-c3cc(O[C@H](C)c4c(Cl)c(F)ccc4Cl)c(N)nc3,"InChI=1S/C24H26Cl2FN5O2/c1-13-10-29-6-7-32(13)21-9-19(33-3)16(12-30-21)15-8-20(24(28)31-11-15)34-14(2)22-17(25)4-5-18(27)23(22)26/h4-5,8-9,11-14,29H,6-7,10H2,1-3H3,(H2,28,31)/t13-,14+/m0/s1",BVGDAZBTIVRTGO-UONOGXRCSA-N
BMGC_DG15660,BMG_DG196049,C(=O)(O)[O-],C([O-])(=O)O,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1",BVKZGUZCCUSVTD-UHFFFAOYSA-M
BMGC_DG15661,BMG_DG196054,CC1=C(C(=C(N1C(C)C)C2=CC=C(C=C2)Cl)C3=CC(=CC(=C3)F)N4CCN(CC4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC(=C(C=C6)N[C@H](CCN7CCC(CC7)C(=O)OCCCP(=O)(O)O)CSC8=CC=CC=C8)S(=O)(=O)C(F)(F)F)S(=O)(=O)C,C1(CCN(CC1)CC[C@H](CSc2ccccc2)Nc3ccc(cc3S(C(F)(F)F)(=O)=O)S(=O)(Nc4ccc(cc4)N5CCN(CC5)c6cc(cc(c6)-c7c(n(c(c7S(=O)(=O)C)C)C(C)C)-c8ccc(cc8)Cl)F)=O)C(OCCCP(O)(=O)O)=O,"InChI=1S/C57H66ClF4N6O11PS4/c1-38(2)68-39(3)55(82(4,73)74)53(54(68)40-11-13-43(58)14-12-40)42-33-44(59)35-48(34-42)67-29-27-66(28-30-67)47-17-15-45(16-18-47)64-84(77,78)50-19-20-51(52(36-50)83(75,76)57(60,61)62)63-46(37-81-49-9-6-5-7-10-49)23-26-65-24-21-41(22-25-65)56(69)79-31-8-32-80(70,71)72/h5-7,9-20,33-36,38,41,46,63-64H,8,21-32,37H2,1-4H3,(H2,70,71,72)/t46-/m1/s1",QIOCQCYXBYUYLH-YACUFSJGSA-N
BMGC_DG15662,BMG_DG196076,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,C(O)[C@H]1O[C@H](OC)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1",HOVAGTYPODGVJG-PZRMXXKTSA-N
BMGC_DG15663,BMG_DG196081,CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)N,,"InChI=1S/C174H300N56O49/c1-26-93(20)136(228-165(274)126(80-232)224-141(250)101(39-28-32-56-176)200-129(236)78-195-140(249)100(38-27-31-55-175)201-161(270)123(73-133(243)244)223-160(269)121(71-98-76-190-82-197-98)220-158(267)118(68-90(14)15)216-155(264)114(64-86(6)7)213-148(257)107(45-50-127(180)234)207-159(268)120(70-97-75-189-81-196-97)219-151(260)111(49-54-132(241)242)209-164(273)125(79-231)225-167(276)135(92(18)19)227-139(248)94(21)179)168(277)210-108(46-51-128(181)235)149(258)222-124(74-134(245)246)162(271)217-112(62-84(2)3)152(261)205-105(44-37-61-194-173(187)188)143(252)203-103(42-35-59-192-171(183)184)142(251)204-104(43-36-60-193-172(185)186)144(253)206-110(48-53-131(239)240)150(259)214-115(65-87(8)9)154(263)215-113(63-85(4)5)153(262)208-109(47-52-130(237)238)147(256)202-102(40-29-33-57-177)145(254)211-116(66-88(10)11)156(265)218-119(69-91(16)17)166(275)230-174(24,25)170(279)226-106(41-30-34-58-178)146(255)212-117(67-89(12)13)157(266)221-122(72-99-77-191-83-198-99)163(272)229-137(96(23)233)169(278)199-95(22)138(182)247/h75-77,81-96,100-126,135-137,231-233H,26-74,78-80,175-179H2,1-25H3,(H2,180,234)(H2,181,235)(H2,182,247)(H,189,196)(H,190,197)(H,191,198)(H,195,249)(H,199,278)(H,200,236)(H,201,270)(H,202,256)(H,203,252)(H,204,251)(H,205,261)(H,206,253)(H,207,268)(H,208,262)(H,209,273)(H,210,277)(H,211,254)(H,212,255)(H,213,257)(H,214,259)(H,215,263)(H,216,264)(H,217,271)(H,218,265)(H,219,260)(H,220,267)(H,221,266)(H,222,258)(H,223,269)(H,224,250)(H,225,276)(H,226,279)(H,227,248)(H,228,274)(H,229,272)(H,230,275)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H4,183,184,192)(H4,185,186,193)(H4,187,188,194)/t93-,94-,95-,96+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,135-,136-,137-/m0/s1",BVISQZFBLRSESR-XSCWXTNMSA-N
BMGC_DG15664,BMG_DG196090,CC1=CC2=NC(=C(N2C=C1)C[C@H]3CN(CCO3)C(=O)OC)C4=C(C=C(C=C4F)C(=O)NC)F,N1(C[C@@H](OCC1)Cc2c(nc3cc(ccn32)C)-c4c(cc(cc4F)C(NC)=O)F)C(=O)OC,"InChI=1S/C23H24F2N4O4/c1-13-4-5-29-18(11-15-12-28(6-7-33-15)23(31)32-3)21(27-19(29)8-13)20-16(24)9-14(10-17(20)25)22(30)26-2/h4-5,8-10,15H,6-7,11-12H2,1-3H3,(H,26,30)/t15-/m0/s1",SEHLMRJSQFAPCJ-HNNXBMFYSA-N
BMGC_DG15665,BMG_DG196091,CCCCCCS(=O)(=O)NC(=O)C1=CC=C(C=C1)CSCC2=CC=C(C=C2)C3=CC=CC=C3,,"InChI=1S/C27H31NO3S2/c1-2-3-4-8-19-33(30,31)28-27(29)26-17-13-23(14-18-26)21-32-20-22-11-15-25(16-12-22)24-9-6-5-7-10-24/h5-7,9-18H,2-4,8,19-21H2,1H3,(H,28,29)",MKXMABKUVSOEJF-UHFFFAOYSA-N
BMGC_DG15666,BMG_DG196324,CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5OC(=O)CCl)N3[C@@H]1O)C6=CC=CC=C6N4C,[C@]123[C@]([C@]4(N5[C@H](O)[C@H]([C@@](C4)([H])[C@H]([C@H]1OC(=O)CCl)[C@@H]5C2)CC)[H])(N(C)c6c3cccc6)[H],"InChI=1S/C22H27ClN2O3/c1-3-11-12-8-15-19-22(13-6-4-5-7-14(13)24(19)2)9-16(25(15)21(11)27)18(12)20(22)28-17(26)10-23/h4-7,11-12,15-16,18-21,27H,3,8-10H2,1-2H3/t11-,12-,15-,16-,18-,19-,20+,21+,22+/m0/s1",LAHDERDHXJFFJU-ZWNKPRIXSA-N
BMGC_DG15667,BMG_DG196412,,c1(cccc2c(ccnc21)Nc3ccccc3C(=O)OC[C@@H](CO)O)C(F)(F)F,,APQPGQGAWABJLN-GFCCVEGCSA-N
BMGC_DG15668,BMG_DG196458,,NC(=O)c1ccc(OC)cc1,,GUCPYIYFQVTFSI-UHFFFAOYSA-N
BMGC_DG15669,BMG_DG196503,CC1=C(SC(=C1)C2=NO[C@@](C2)(C3=CC(=C(C(=C3)Cl)Cl)Cl)C(F)(F)F)C(=O)NCC(=O)NCC(F)(F)F,c1(c(cc(s1)C2=NO[C@](C2)(C(F)(F)F)c3cc(c(c(c3)Cl)Cl)Cl)C)C(=O)NCC(NCC(F)(F)F)=O,"InChI=1S/C20H14Cl3F6N3O3S/c1-8-2-13(36-16(8)17(34)30-6-14(33)31-7-19(24,25)26)12-5-18(35-32-12,20(27,28)29)9-3-10(21)15(23)11(22)4-9/h2-4H,5-7H2,1H3,(H,30,34)(H,31,33)/t18-/m0/s1",HDKWFBCPLKNOCK-SFHVURJKSA-N
BMGC_DG15670,BMG_DG196549,CCC[N@@+]12[C@H]3C[C@@H]([C@@H]([C@H]1O)CC)[C@H]4[C@@H]2C[C@@]5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O,[C@]123[C@]([C@]4([N@@+]5([C@H](O)[C@H]([C@@](C4)([H])[C@H]([C@H]1O)[C@@H]5C2)CC)CCC)[H])(N(C)c6c3cccc6)[H],"InChI=1S/C23H33N2O2/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23/h6-9,13-14,17-22,26-27H,4-5,10-12H2,1-3H3/q+1/t13-,14-,17-,18-,19-,20-,21+,22+,23+,25-/m0/s1",UAUHEPXILIZYCU-ALHOSYKFSA-N
BMGC_DG15671,BMG_DG196670,C(#N)[Se-],,InChI=1S/CHNSe/c2-1-3/h3H/p-1,CRDYSYOERSZTHZ-UHFFFAOYSA-M
BMGC_DG15672,BMG_DG196729,CC[C@@H]1[C@H](C2=CC\3=NC(=C(/C3=C(\C)/[O-])C)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=NCCS(=O)(=O)O)[O-])CC(=O)OC)CCC(=O)O)C)C.[Pd+2],[C@@]1([H])([C@H](c2cc3c(c(c(cc4nc([C@@]([C@@]4(C)[H])([H])CCC(O)=O)c(CC(OC)=O)c5[n-]c(cc1n2)c(C)c5C(NCCS(=O)(=O)O)=O)[n-]3)C)C(C)=O)C)CC.[Pd+2],"InChI=1S/C37H45N5O9S.Pd/c1-8-22-17(2)25-16-30-33(21(6)43)19(4)27(40-30)14-26-18(3)23(9-10-31(44)45)35(41-26)24(13-32(46)51-7)36-34(37(47)38-11-12-52(48,49)50)20(5)28(42-36)15-29(22)39-25;/h14-18,22-23,39,43H,8-13H2,1-7H3,(H,38,47)(H,44,45)(H,48,49,50);/q;+2/p-2/b25-16?,26-14?,29-15?,33-21-,36-24?;/t17-,18+,22-,23+;/m1./s1",ONVJOHYXODCMDN-XNUYRYHJSA-L;MZRDSGWDVDESRC-VNWQTDIGSA-L
BMGC_DG15673,BMG_DG196852,C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)C[C@@H](C4=CC(=O)C=C[C@@]43C)F)Cl)Cl,[C@]12([C@@]3([C@]([C@]4([C@]([C@](C(=O)CO)(O)[C@@H](C4)O)(C)C[C@@H]3Cl)[H])(C[C@@H](C1=CC(C=C2)=O)F)[H])Cl)C,"InChI=1S/C21H25Cl2FO5/c1-18-4-3-10(26)5-13(18)14(24)6-12-11-7-16(27)21(29,17(28)9-25)19(11,2)8-15(22)20(12,18)23/h3-5,11-12,14-16,25,27,29H,6-9H2,1-2H3/t11-,12-,14-,15-,16+,18-,19-,20-,21-/m0/s1",VTWKPILBIUBMDS-OTJLYDAYSA-N
BMGC_DG15674,BMG_DG196861,C(CN(CP(=O)(O)[O-])CP(=O)(O)[O-])N(CP(=O)(O)O)CP(=O)(O)[O-].[153Sm+3],[153Sm+3].P(CN(CCN(CP([O-])(=O)O)CP(O)(=O)O)CP(O)([O-])=O)([O-])(=O)O,"InChI=1S/C6H20N2O12P4.Sm/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);/q;+3/p-3/i;1+3",JSTADIGKFYFAIY-GJNDDOAHSA-K
BMGC_DG15675,BMG_DG196913,[H+].C[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O,[H+].n1([C@H]2[C@@H]([C@H](O)[C@H](O2)COP(OP([O-])(=O)OCC[N+](C)(C)C)(=O)[O-])O)c(nc(N)cc1)=O,"InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1",RZZPDXZPRHQOCG-OJAKKHQRSA-N
BMGC_DG15676,BMG_DG197174,C[C@@]1(CC[C@@H](C[C@@H]1CO)O)[C@H]2CC[C@]3([C@H]([C@@H]2CN)CCC3=C)C,C[C@@]1([C@@]2([C@@H](CN)[C@]3([C@@](CC2)(C)C(CC3)=C)[H])[H])[C@@H](CO)C[C@H](CC1)O,"InChI=1S/C20H35NO2/c1-13-4-5-17-16(11-21)18(7-9-19(13,17)2)20(3)8-6-15(23)10-14(20)12-22/h14-18,22-23H,1,4-12,21H2,2-3H3/t14-,15+,16+,17+,18+,19-,20+/m1/s1",MDEJTPWQNNMAQF-BVMLLJBZSA-N
BMGC_DG15677,BMG_DG197298,CN(C)CC(=O)OC[C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O.CN(C)CC(=O)OC[C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O.[Ca+2],[Ca+2].O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(CN(C)C)=O.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(CN(C)C)=O,"InChI=1S/2C10H19NO8.Ca/c2*1-11(2)3-6(13)19-4-5(12)7(14)8(15)9(16)10(17)18;/h2*5,7-9,12,14-16H,3-4H2,1-2H3,(H,17,18);/q;;+2/p-2/t2*5-,7-,8+,9-;/m11./s1",JWLAOERSRUNGEF-JQVJEGKNSA-L
BMGC_DG15678,BMG_DG197343,C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)N[C@@H]([C@@H](C)O)C(=O)O)O.[177Lu+3],O[C@H](C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](C(N[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc32)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1)[C@H](O)C)Cc4ccc(O)cc4)=O)NC(=O)[C@H](NC(CN5CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC5)=O)Cc6ccccc6)C(O)=O.[177Lu+3],"InChI=1S/C65H90N14O19S2.Lu/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66;/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98);/q;+3/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+;/m1./s1/i;1+2",MXDPZUIOZWKRAA-PRDSJKGBSA-K
BMGC_DG15679,BMG_DG197531,CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)([O-])OP(=O)(O)OP(=O)(O)O,C(c1cnc(C)nc1N)[n+]2csc(CCOP([O-])(=O)OP(O)(=O)OP(O)(O)=O)c2C,"InChI=1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)",IWLROWZYZPNOFC-UHFFFAOYSA-N
BMGC_DG15680,BMG_DG197567,C1CO[P@@](=O)(N[C@H]1SCCS(=O)(=O)O)N(CCCl)CCCl,C1C[C@@H](N[P@@](O1)(=O)N(CCCl)CCCl)SCCS(O)(=O)=O,"InChI=1S/C9H19Cl2N2O5PS2/c10-2-4-13(5-3-11)19(14)12-9(1-6-18-19)20-7-8-21(15,16)17/h9H,1-8H2,(H,12,14)(H,15,16,17)/t9-,19-/m0/s1",PBUUPFTVAPUWDE-UGZDLDLSSA-N
BMGC_DG15681,BMG_DG197573,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[O-2].[O-2].[O-2].[Na+].[Fe+3].[Fe+3],[Fe+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].[O-2].[Na+].OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.[O-2].[O-2].[Fe+3].OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/5C12H22O11.C6H12O7.2Fe.Na.3O/c5*13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12;7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;/h5*4-11,13-20H,1-3H2;2-5,7-11H,1H2,(H,12,13);;;;;;/q;;;;;;2*+3;+1;3*-2/p-1/t5*4-,5-,6-,7-,8+,9-,10+,11-,12+;2-,3-,4+,5-;;;;;;/m111111....../s1",MQBDAEHWGRMADS-XNHLMZCASA-M
BMGC_DG15682,BMG_DG197611,,C1([C@H]2C[C@@H]1CC=C2CCOCCN(CC)CC)(C)C,,BZRYYBWNOUALTQ-HOTGVXAUSA-N
BMGC_DG15683,BMG_DG197707,C1=CC(=CC=C1OCC(CO)O)Cl,O(c1ccc(cc1)Cl)CC(O)CO,"InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2",MXOAEAUPQDYUQM-UHFFFAOYSA-N
BMGC_DG15684,BMG_DG198014,C1CN(CCC1NC2=C3C=C(SC3=NC=N2)Cl)CC4=CC(=C(C=C4)F)C#N.C(=C/C(=O)O)\C(=O)O,OC(/C=C/C(O)=O)=O.C(c1c(ccc(c1)CN2CCC(CC2)Nc3c4c(ncn3)sc(c4)Cl)F)#N,"InChI=1S/C19H17ClFN5S.C4H4O4/c20-17-8-15-18(23-11-24-19(15)27-17)25-14-3-5-26(6-4-14)10-12-1-2-16(21)13(7-12)9-22;5-3(6)1-2-4(7)8/h1-2,7-8,11,14H,3-6,10H2,(H,23,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1+",RPYIKXHIQXRXEM-WLHGVMLRSA-N
BMGC_DG15685,BMG_DG198042,CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC,N(CCCC)c1ccc(C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)=O)cc1,"InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3",MAFMQEKGGFWBAB-UHFFFAOYSA-N
BMGC_DG15686,BMG_DG198046,,Cc1ccc(cc1)C(=O)C(=O)c2ccc(C)cc2,,BCWCEHMHCDCJAD-UHFFFAOYSA-N
BMGC_DG15687,BMG_DG198068,,c1c(cn[nH]1)I,,LLNQWPTUJJYTTE-UHFFFAOYSA-N
BMGC_DG15688,BMG_DG198074,,O=C(N[C@H](C(=O)OCC)Cc1ccc(O)cc1)c2ccccc2,,SRLROPAFMUDDRC-INIZCTEOSA-N
BMGC_DG15689,BMG_DG198077,,C(CCN(C)C)(=O)c1ccccc1,,QMNXJNURJISYMS-UHFFFAOYSA-N
BMGC_DG15690,BMG_DG198084,CCCCC1=CC=CC=C1,c1(ccccc1)CCCC,"InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3",OCKPCBLVNKHBMX-UHFFFAOYSA-N
BMGC_DG15691,BMG_DG198086,CCCCCC[C@@H]1CCC2=C(C1)C=CC(=C2)[C@H]3CC[C@@](C3)(CO)N,c12ccc(cc1CC[C@H](C2)CCCCCC)[C@H]3CC[C@](C3)(N)CO,"InChI=1S/C22H35NO/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-24/h9-10,14,17,21,24H,2-8,11-13,15-16,23H2,1H3/t17-,21+,22-/m1/s1",BPMMYKAHRIEVDH-VOQZNFBZSA-N
BMGC_DG15692,BMG_DG198088,C1=CC(=CC=C1C2=CN=C(C=C2)C([C@](CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)O)(F)F)OCC(F)(F)F,C([C@@](Cn1nnnc1)(O)c2c(cc(cc2)F)F)(c3ccc(cn3)-c4ccc(cc4)OCC(F)(F)F)(F)F,"InChI=1S/C23H16F7N5O2/c24-16-4-7-18(19(25)9-16)21(36,11-35-13-32-33-34-35)23(29,30)20-8-3-15(10-31-20)14-1-5-17(6-2-14)37-12-22(26,27)28/h1-10,13,36H,11-12H2/t21-/m0/s1",IDUYJRXRDSPPRC-NRFANRHFSA-N
BMGC_DG15693,BMG_DG198090,,C(c1ccccc1O)(=O)CCc2ccccc2,,JCPGMXJLFWGRMZ-UHFFFAOYSA-N
BMGC_DG15694,BMG_DG198113,C1=CC=C(C=C1)COC=O,c1(ccccc1)COC=O,"InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2",UYWQUFXKFGHYNT-UHFFFAOYSA-N
BMGC_DG15695,BMG_DG198124,CCCCCC1CCC(=O)O1,C1(OC(=O)CC1)CCCCC,"InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3",OALYTRUKMRCXNH-UHFFFAOYSA-N
BMGC_DG15696,BMG_DG198126,C#CCNC1=NC(=NC(=C1Br)N)N2C=NC=N2,c1(nc(c(c(n1)N)Br)NCC#C)-n2ncnc2,"InChI=1S/C9H8BrN7/c1-2-3-13-8-6(10)7(11)15-9(16-8)17-5-12-4-14-17/h1,4-5H,3H2,(H3,11,13,15,16)",OQCWNHHZPYJHQR-UHFFFAOYSA-N
BMGC_DG15697,BMG_DG198129,CN1C2=CC=CC=C2OC[C@@H](C1=O)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4,[nH]1nc(nc1Cc2ccccc2)C(=O)N[C@@H]3C(N(c4c(OC3)cccc4)C)=O,"InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1",LYPAFUINURXJSG-AWEZNQCLSA-N
BMGC_DG15698,BMG_DG198141,,Clc1c(-c2[nH]c3c(n2)cccc3)cccc1,,OILIYWFQRJOPAI-UHFFFAOYSA-N
BMGC_DG15699,BMG_DG198153,CCCCCCCC1CCC(=O)O1,CCCCCCCC1CCC(=O)O1,"InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3",PHXATPHONSXBIL-UHFFFAOYSA-N
BMGC_DG15700,BMG_DG198161,CN1CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O,C(C(c1ccccc1)(c2ccccc2)O)(OC3CCN(CC3)C)=O,"InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3",UGYPGJCVNPPUPE-UHFFFAOYSA-N
BMGC_DG15701,BMG_DG198191,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O,,"InChI=1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)",HTTJABKRGRZYRN-UHFFFAOYSA-N
BMGC_DG15702,BMG_DG198216,,c1(ccc(C)cc1)C#N,,VCZNNAKNUVJVGX-UHFFFAOYSA-N
BMGC_DG15703,BMG_DG198219,CC1=CC=C(C=C1)C=O,c1cc(ccc1C)C=O,"InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3",FXLOVSHXALFLKQ-UHFFFAOYSA-N
BMGC_DG15704,BMG_DG198220,,C(c1ncccc1)(c2ccccc2)c3ccccc3,,MMXYNKLYVRNTCK-UHFFFAOYSA-N
BMGC_DG15705,BMG_DG198221,,C(c1cnccc1)(c2ccccc2)c3ccccc3,,HGVLJGHVYCBNBB-UHFFFAOYSA-N
BMGC_DG15706,BMG_DG198222,,n1ccc(cc1)C(c2ccccc2)c3ccccc3,,ZWLWOTHDIGRTNE-UHFFFAOYSA-N
BMGC_DG15707,BMG_DG198243,,SC(c1ccccc1)(c2ccccc2)c3ccccc3,,JQZIKLPHXXBMCA-UHFFFAOYSA-N
BMGC_DG15708,BMG_DG198261,,c1ccc2c(=O)c3ccc(cc3oc2c1)OC,,HGWDKWJYTURSFE-UHFFFAOYSA-N
BMGC_DG15709,BMG_DG198262,CC1=CC=C(C=C1)OC,c1c(ccc(c1)C)OC,"InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3",CHLICZRVGGXEOD-UHFFFAOYSA-N
BMGC_DG15710,BMG_DG198298,C1CCN(C1)C=O,O=CN1CCCC1,"InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2",AGRIQBHIKABLPJ-UHFFFAOYSA-N
BMGC_DG15711,BMG_DG198301,,[nH]1cc(CCN)c2c1ccc(Cl)c2,,FVQKQPVVCKOWLM-UHFFFAOYSA-N
BMGC_DG15712,BMG_DG198309,,O(c1ccc2nc(/N=N/c3ccc(N(C)C)cc3)sc2c1)C,,AVPFTROGVGTTEC-VHEBQXMUSA-N
BMGC_DG15713,BMG_DG198313,C1=C(NC=N1)CCN,NCCc1c[nH]cn1,"InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)",NTYJJOPFIAHURM-UHFFFAOYSA-N
BMGC_DG15714,BMG_DG198320,,O=c1ccc2cc3CCOc3c(OC)c2o1,,BUNGCZLFHHXKBX-UHFFFAOYSA-N
BMGC_DG15715,BMG_DG198321,C1=C(NN=C1)CCN,n1[nH]ccc1CCN,"InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)",JXDFEQONERDKSS-UHFFFAOYSA-N
BMGC_DG15716,BMG_DG198328,CCCC1CCC(=O)O1,C1(CCC)OC(=O)CC1,"InChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3",VLSVVMPLPMNWBH-UHFFFAOYSA-N
BMGC_DG15717,BMG_DG198333,,,,
BMGC_DG15718,BMG_DG198351,CC1=CC=CC=C1C2=CC=C(C=C2)C3=CC(=C4C(=C3)N=NN4C)C(=O)O,,"InChI=1S/C21H17N3O2/c1-13-5-3-4-6-17(13)15-9-7-14(8-10-15)16-11-18(21(25)26)20-19(12-16)22-23-24(20)2/h3-12H,1-2H3,(H,25,26)",GSBZRCGZLMBSNY-UHFFFAOYSA-N
BMGC_DG15719,BMG_DG198355,,CNC(=O)c1ccc(cc1F)N2[C@@]3(C(N(C2=S)c4cc(c(cc4)C#N)C(F)(F)F)=O)COCC3,,QKKPJFTYJCXESR-OAQYLSRUSA-N
BMGC_DG15720,BMG_DG198410,,C(c1cc(O)c(cc1)O)(=O)OCC,,KBPUBCVJHFXPOC-UHFFFAOYSA-N
BMGC_DG15721,BMG_DG198411,,c1(C(=O)OCC)c(ccc(c1)O)O,,GCUPAENRSCPHBM-UHFFFAOYSA-N
BMGC_DG15722,BMG_DG198416,,O=c1c(cc2c(cccc2)o1)C(=O)C,,CSPIFKKOBWYOEX-UHFFFAOYSA-N
BMGC_DG15723,BMG_DG198428,,C(c1ccccc1)(c2ccccc2)CN,,RXMTUVIKZRXSSM-UHFFFAOYSA-N
BMGC_DG15724,BMG_DG198439,,O(CCOC)CCl,,BIAAQBNMRITRDV-UHFFFAOYSA-N
BMGC_DG15725,BMG_DG198464,,,,
BMGC_DG15726,BMG_DG198492,,O=C1OC(=O)c2cccc3c2c1ccc3Cl,,UJEUBSWHCGDJQU-UHFFFAOYSA-N
BMGC_DG15727,BMG_DG198507,,OC(C(c1sccc1)=O)=O,,GIWRVUADKUVEGU-UHFFFAOYSA-N
BMGC_DG15728,BMG_DG198511,CC1=NC=C(C(=N1)N)CO,c1(c(nc(C)nc1)N)CO,"InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)",VUTBELPREDJDDH-UHFFFAOYSA-N
BMGC_DG15729,BMG_DG198573,C(CS)C(C(=O)O)N,C(=O)(C(N)CCS)O,"InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)",FFFHZYDWPBMWHY-UHFFFAOYSA-N
BMGC_DG15730,BMG_DG198580,,c1(C(c2ccc(cc2)OC)=O)sccc1,,KYVBFEMQEUXVQB-UHFFFAOYSA-N
BMGC_DG15731,BMG_DG198599,CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4(CCCC4)CCNC(=O)C5=C(C(=C(C=C5)O)O)Cl)C(=O)[O-],C(C1=C(C[N+]2(CCCC2)CCNC(c3ccc(O)c(O)c3Cl)=O)CS[C@]4([H])[C@H](NC(=O)/C(/c5nc(N)sc5)=N\OC(C)(C)C(=O)O)C(=O)N41)(=O)[O-],"InChI=1S/C30H34ClN7O10S2/c1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31/h5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47)/t20-,26-/m1/s1",DBPPRLRVDVJOCL-FQRUVTKNSA-N
BMGC_DG15732,BMG_DG198652,CC(C(C(=O)O)N)OC1C(C(C(C(O1)COC2(CC(C(C(O2)C(C(CO)O)O)NC(=O)CNC(=O)OCCOC)O)C(=O)O)O)O)NC(=O)C,,"InChI=1S/C27H46N4O19/c1-10(16(28)23(40)41)48-24-18(30-11(2)33)21(39)20(38)14(49-24)9-47-27(25(42)43)6-12(34)17(22(50-27)19(37)13(35)8-32)31-15(36)7-29-26(44)46-5-4-45-3/h10,12-14,16-22,24,32,34-35,37-39H,4-9,28H2,1-3H3,(H,29,44)(H,30,33)(H,31,36)(H,40,41)(H,42,43)",GAQMWPRWVIGRRV-UHFFFAOYSA-N
BMGC_DG15733,BMG_DG198660,C1=CC=C(C=C1)CN2C=CN=C2,c1nccn1Cc2ccccc2,"InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2",KKKDZZRICRFGSD-UHFFFAOYSA-N
BMGC_DG15734,BMG_DG198683,,O=C(Nc1c(OC)cc(c(OC)c1)Cl)c2c(O)cc3c(cccc3)c2,,QIHKTBRNOLQDGQ-UHFFFAOYSA-N
BMGC_DG15735,BMG_DG198684,,S(=O)(=O)(c1c(N)cccc1)c2ccccc2,,JBCUKQQIWSWEOK-UHFFFAOYSA-N
BMGC_DG15736,BMG_DG198685,,c1ccccc1CC(Cc2ccccc2)N,,BWYYVSNVUCFQQN-UHFFFAOYSA-N
BMGC_DG15737,BMG_DG198693,,C([C@@H](C(OC)=O)N)c1c2c([nH]c1)cccc2,,KCUNTYMNJVXYKZ-JTQLQIEISA-N
BMGC_DG15738,BMG_DG198695,C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O,P(OC[C@H]([C@H]([C@H](C=O)O)O)O)(=O)(O)O,"InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1",PPQRONHOSHZGFQ-LMVFSUKVSA-N
BMGC_DG15739,BMG_DG198699,CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,,"InChI=1S/C14H22N2O2.C4H6O6/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4;5-1(3(7)8)2(6)4(9)10/h7-11H,6H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;1-,2-/m00/s1",GWHQHAUAXRMMOT-RWALOXMOSA-N
BMGC_DG15740,BMG_DG198700,CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C,C(Oc1cc(ccc1)[C@@H](N(C)C)C)(N(CC)C)=O,"InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1",XSVMFMHYUFZWBK-NSHDSACASA-N
BMGC_DG15741,BMG_DG198701,CN[C@@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N,c12c([nH]c3c1cc(C(=O)N)cc3)CC[C@H](C2)NC,"InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1",XPSQPHWEGNHMSK-SECBINFHSA-N
BMGC_DG15742,BMG_DG198703,CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4,S(c1ccccc1)(CCc2ccc3c(c2)c(C[C@@H]4N(CCC4)C)c[nH]3)(=O)=O,"InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1",PWVXXGRKLHYWKM-LJQANCHMSA-N
BMGC_DG15743,BMG_DG198706,CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3.C1=CC=C(C=C1)C(=O)O,n1cnn(c1)Cc2ccc3c(c2)c(c[nH]3)CCN(C)C.C(=O)(c1ccccc1)O,"InChI=1S/C15H19N5.C7H6O2/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;8-7(9)6-4-2-1-3-5-6/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3;1-5H,(H,8,9)",JPRXYLQNJJVCMZ-UHFFFAOYSA-N
BMGC_DG15744,BMG_DG198707,CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3,N1C(SC(C1=O)Cc2ccc(cc2)OCCN(c3ncccc3)C)=O,"InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)",YASAKCUCGLMORW-UHFFFAOYSA-N
BMGC_DG15745,BMG_DG198708,C1=CC(=C(C=C1O)CC(=O)O)O,c1(c(ccc(c1)O)O)CC(=O)O,"InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)",IGMNYECMUMZDDF-UHFFFAOYSA-N
BMGC_DG15746,BMG_DG198721,COC1=C(C=C(C=C1O)C(=O)O)O,O=C(O)c1cc(O)c(OC)c(O)c1,"InChI=1S/C8H8O5/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,9-10H,1H3,(H,11,12)",UBXDWYFLYYJQFR-UHFFFAOYSA-N
BMGC_DG15747,BMG_DG198729,C1=CC(=CC=C1Br)Br,c1(ccc(Br)cc1)Br,InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H,SWJPEBQEEAHIGZ-UHFFFAOYSA-N
BMGC_DG15748,BMG_DG198737,,CCOCCOCCOCCOCCOCC,,HYDWALOBQJFOMS-UHFFFAOYSA-N
BMGC_DG15749,BMG_DG198738,,CCOCCOCCOCCOCCOCCO,,NJRFAMBTWHGSDE-UHFFFAOYSA-N
BMGC_DG15750,BMG_DG198746,,c1cc(ccc1CSC(=N)N)[N+](=O)[O-],,YNTWTDHRYRBPOL-UHFFFAOYSA-N
BMGC_DG15751,BMG_DG198750,C1=CC(=CC=C1N)Br,c1(ccc(Br)cc1)N,"InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2",WDFQBORIUYODSI-UHFFFAOYSA-N
BMGC_DG15752,BMG_DG198762,C1=CC(=CC=C1O)Br,c1cc(ccc1Br)O,"InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H",GZFGOTFRPZRKDS-UHFFFAOYSA-N
BMGC_DG15753,BMG_DG198771,CC1=CC=C(C=C1)C,Cc1ccc(C)cc1,"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",URLKBWYHVLBVBO-UHFFFAOYSA-N
BMGC_DG15754,BMG_DG198774,C1C2=CC=CC=C2COC1=O,c1ccc2CC(=O)OCc2c1,"InChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2",ILHLUZUMRJQEAH-UHFFFAOYSA-N
BMGC_DG15755,BMG_DG198781,C(#N)S,C(#N)S,InChI=1S/CHNS/c2-1-3/h3H,ZMZDMBWJUHKJPS-UHFFFAOYSA-N
BMGC_DG15756,BMG_DG198788,,S(N)(=O)(=O)c1ccc(NN)cc1,,NBJSNAGTUCWQRO-UHFFFAOYSA-N
BMGC_DG15757,BMG_DG198799,C1=CC(=CC=C1N)Cl,c1cc(ccc1Cl)N,"InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2",QSNSCYSYFYORTR-UHFFFAOYSA-N
BMGC_DG15758,BMG_DG198811,CC1=CC=C(C=C1)N,c1(ccc(N)cc1)C,"InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3",RZXMPPFPUUCRFN-UHFFFAOYSA-N
BMGC_DG15759,BMG_DG198826,,c1(ccc(Cl)cc1)S,,VZXOZSQDJJNBRC-UHFFFAOYSA-N
BMGC_DG15760,BMG_DG198828,,S=C=NC(C)CC,,TUFJIDJGIQOYFY-UHFFFAOYSA-N
BMGC_DG15761,BMG_DG198924,C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C,c1(cc2c(cc1OC)ncnc2Nc3cccc(c3F)Cl)OC(N4CCN(C[C@H]4C)C)=O,"InChI=1S/C22H23ClFN5O3/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27)/t13-/m1/s1",MXDSJQHFFDGFDK-CYBMUJFWSA-N
BMGC_DG15762,BMG_DG198929,COC1=NC=C(N=C1)C(=O)NC2=CC(=C(C=C2)F)[C@]34CN(C[C@H]3CSC(=N4)N)C5=NC=C(C=N5)F,Fc1c([C@@]23[C@@](CN(C2)c4ncc(F)cn4)(CSC(N)=N3)[H])cc(NC(=O)c5cnc(OC)cn5)cc1,"InChI=1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1",VQSRKMNBWMHJKY-YTEVENLXSA-N
BMGC_DG15763,BMG_DG198933,,[C@@H]1([C@@H](c2ccccc2)[C@@H]([C@@H]1c3ccccc3)C(=O)O)C(=O)O,,QWFRRFLKWRIKSZ-BIAGXBKMSA-N
BMGC_DG15764,BMG_DG198959,,c1(n[nH]c2c1cccc2)C(=O)OCC,,YLKPTYMNELPKOL-UHFFFAOYSA-N
BMGC_DG15765,BMG_DG198960,,SCc1ccc(cc1)C,,AGFYZLVFPSGUIX-UHFFFAOYSA-N
BMGC_DG15766,BMG_DG198968,,c1ccc(-c2nnc(N)nc2-c3ccccc3)cc1,,NZRHOWNFGASHMN-UHFFFAOYSA-N
BMGC_DG15767,BMG_DG198986,,S(c1ccc(NC(CC(=O)C)=O)cc1)(=O)(=O)N,,FDZMNCCKUUOJEX-UHFFFAOYSA-N
BMGC_DG15768,BMG_DG199007,,O=S(=O)(N)Cc1ccccc1,,ABOYDMHGKWRPFD-UHFFFAOYSA-N
BMGC_DG15769,BMG_DG199009,CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC=C(C=C7)O)O)O)[C@@H](C)O)C)O)OCC[N+](C)(C)C)O,O=C1N2[C@](C(=O)N[C@H](OCC[N+](C)(C)C)[C@H](O)C[C@H](NC(=O)c3ccc(cc3)-c4ccc(cc4)-c5ccc(OCCCCC)cc5)C(=O)N[C@@]([C@@H](C)O)(C(=O)N6[C@](C(=O)N[C@@]([C@@H]([C@@H](O)c7ccc(O)cc7)O)(C(=O)N[C@]1([C@@H](C)O)[H])[H])(C[C@@H](O)C6)[H])[H])([C@@H](O)[C@@H](C)C2)[H],"InChI=1S/C63H84N8O17/c1-8-9-10-28-87-45-25-21-40(22-26-45)38-13-11-37(12-14-38)39-15-17-42(18-16-39)56(80)64-46-31-48(76)61(88-29-27-71(5,6)7)68-60(84)52-53(77)34(2)32-70(52)63(86)50(36(4)73)66-59(83)51(55(79)54(78)41-19-23-43(74)24-20-41)67-58(82)47-30-44(75)33-69(47)62(85)49(35(3)72)65-57(46)81/h11-26,34-36,44,46-55,61,72-73,75-79H,8-10,27-33H2,1-7H3,(H5-,64,65,66,67,68,74,80,81,82,83,84)/p+1/t34-,35+,36+,44+,46-,47-,48+,49-,50-,51-,52-,53-,54-,55-,61+/m0/s1",LNFCWEXGZIEGJW-TXSVMFMRSA-O
BMGC_DG15770,BMG_DG199011,CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(N(C3=CC=CC=C32)[C@H](C)C4CCN(CC4)CC(F)(F)F)C)OC,[C@@H](C1CCN(CC(F)(F)F)CC1)(n2c(C)c(C(=O)NCc3c(=O)[nH]c(C)cc3OC)c4ccccc42)C,"InChI=1S/C27H33F3N4O3/c1-16-13-23(37-4)21(25(35)32-16)14-31-26(36)24-18(3)34(22-8-6-5-7-20(22)24)17(2)19-9-11-33(12-10-19)15-27(28,29)30/h5-8,13,17,19H,9-12,14-15H2,1-4H3,(H,31,36)(H,32,35)/t17-/m1/s1",HPODOLXTMDHLLC-QGZVFWFLSA-N
BMGC_DG15771,BMG_DG199012,CC1=C(C=CC(=C1)C2=CN=C3N2N=C(C=C3NCCC(F)(F)F)OC4=C(C(=C(C=C4)OC)F)F)C(=O)NC5CC5,c1c(c2n(nc1Oc3ccc(c(c3F)F)OC)c(cn2)-c4cc(c(cc4)C(NC5CC5)=O)C)NCCC(F)(F)F,"InChI=1S/C27H24F5N5O3/c1-14-11-15(3-6-17(14)26(38)35-16-4-5-16)19-13-34-25-18(33-10-9-27(30,31)32)12-22(36-37(19)25)40-21-8-7-20(39-2)23(28)24(21)29/h3,6-8,11-13,16,33H,4-5,9-10H2,1-2H3,(H,35,38)",WNEILUNVMHVMPH-UHFFFAOYSA-N
BMGC_DG15772,BMG_DG199017,CNC(=O)N1C=CC2=CC(=C(C=C21)OCCOC)OC3=CC(=NC=C3)NC(=O)C4=CC=C(C=C4)C5CCN(CC5)CCO,CNC(n1ccc2cc(c(cc21)OCCOC)Oc3ccnc(NC(c4ccc(C5CCN(CCO)CC5)cc4)=O)c3)=O,"InChI=1S/C32H37N5O6/c1-33-32(40)37-14-10-25-19-29(28(21-27(25)37)42-18-17-41-2)43-26-7-11-34-30(20-26)35-31(39)24-5-3-22(4-6-24)23-8-12-36(13-9-23)15-16-38/h3-7,10-11,14,19-21,23,38H,8-9,12-13,15-18H2,1-2H3,(H,33,40)(H,34,35,39)",IBHOLSBDZMIPPT-UHFFFAOYSA-N
BMGC_DG15773,BMG_DG199018,CCCS(=O)(=O)NC1CC(C1)N(C)C2=NC=NC3=C2C=CN3,c1nc2c(c(n1)N(C)[C@@H]3C[C@@H](C3)NS(CCC)(=O)=O)cc[nH]2,"InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)",IUEWXNHSKRWHDY-UHFFFAOYSA-N;IUEWXNHSKRWHDY-PHIMTYICSA-N
BMGC_DG15774,BMG_DG199022,,C1(CC1)(C(=O)Nc2ccc(cc2)Oc3cc[n+](c4cc(c(cc34)OC)OC)[O-])C(=O)Nc5ccc(cc5)F,,FKJJTKYQXXLFPS-UHFFFAOYSA-N
BMGC_DG15775,BMG_DG199031,,C(c1cncnc1)(=O)O,,IIVUJUOJERNGQX-UHFFFAOYSA-N
BMGC_DG15776,BMG_DG199044,CC(C)[C@](C1=CC2=CC(=C(C=C2C=C1)OC(F)F)OC(F)F)(C3=NNN=C3)O,[nH]1nncc1[C@](O)(C(C)C)c2cc3cc(c(cc3cc2)OC(F)F)OC(F)F,"InChI=1S/C18H17F4N3O3/c1-9(2)18(26,15-8-23-25-24-15)12-4-3-10-6-13(27-16(19)20)14(28-17(21)22)7-11(10)5-12/h3-9,16-17,26H,1-2H3,(H,23,24,25)/t18-/m0/s1",ZBRAJOQFSNYJMF-SFHVURJKSA-N
BMGC_DG15777,BMG_DG199136,C(CBr)Br,C(CBr)Br,InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2,PAAZPARNPHGIKF-UHFFFAOYSA-N
BMGC_DG15778,BMG_DG199144,OO,OO,InChI=1S/H2O2/c1-2/h1-2H,MHAJPDPJQMAIIY-UHFFFAOYSA-N
BMGC_DG15779,BMG_DG199147,,CCCCCCCCCCCCCCP(=O)(O)O,,BVQJQTMSTANITJ-UHFFFAOYSA-N
BMGC_DG15780,BMG_DG199193,,O=C(Nc1ccc(OCC)cc1)c2c(O)cc3c(cccc3)c2,,FYJKEJZGNQVNLC-UHFFFAOYSA-N
BMGC_DG15781,BMG_DG199204,,O=C(O)c1ccc(-c2ccccc2Cl)o1,,PJGGWIHXGHQXMM-UHFFFAOYSA-N
BMGC_DG15782,BMG_DG199207,C=CC=O,C(C=C)=O,"InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2",HGINCPLSRVDWNT-UHFFFAOYSA-N
BMGC_DG15783,BMG_DG199215,,N(CCCNCCN)CCN,,UWMHHZFHBCYGCV-UHFFFAOYSA-N
BMGC_DG15784,BMG_DG199229,C1=CC(=CC=C1O)O,c1(ccc(cc1)O)O,"InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H",QIGBRXMKCJKVMJ-UHFFFAOYSA-N
BMGC_DG15785,BMG_DG199243,,COc1ccc(C(=O)Nc2ccccc2N)cc1,,BDYVCYUXCNZYRW-UHFFFAOYSA-N
BMGC_DG15786,BMG_DG199255,,c1(c(C2CCCCC2)cccc1C3CCCCC3)O,,AUEZNTKYSSUTGZ-UHFFFAOYSA-N
BMGC_DG15787,BMG_DG199290,COC1=CC2=C(C=C1)N=CN2,n1c2cc(OC)ccc2[nH]c1,"InChI=1S/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)",ILMHAGCURJPNRZ-UHFFFAOYSA-N
BMGC_DG15788,BMG_DG199295,,c1ccc(cc1)CCc2ccccc2C(=O)O,,IOHPVZBSOKLVMN-UHFFFAOYSA-N
BMGC_DG15789,BMG_DG199297,,C1CCCCN1C2CCNCC2,,QDVBKXJMLILLLB-UHFFFAOYSA-N
BMGC_DG15790,BMG_DG199314,,c1c(N)cc2C(c3ccccc3)=NCC(=O)Nc2c1,,OYOUQHVDCKOOAL-UHFFFAOYSA-N
BMGC_DG15791,BMG_DG199349,CC(C)OP(=O)(C)F,P(F)(=O)(OC(C)C)C,"InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3",DYAHQFWOVKZOOW-UHFFFAOYSA-N
BMGC_DG15792,BMG_DG199355,,O=C(O)c1c(cccc1)C(=O)c2c3c(cccc3)ccc2,,OXCYAVHGYGKEJY-UHFFFAOYSA-N
BMGC_DG15793,BMG_DG199362,,n1cn(CCCN)cc1,,KDHWOCLBMVSZPG-UHFFFAOYSA-N
BMGC_DG15794,BMG_DG199371,,n1c(N)cncc1,,XFTQRUTUGRCSGO-UHFFFAOYSA-N
BMGC_DG15795,BMG_DG199403,C1=C(C(=C(N1)CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)CO)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O,,"InChI=1S/C40H46N4O17/c45-17-32-25(12-40(60)61)21(4-8-36(52)53)29(44-32)15-31-24(11-39(58)59)20(3-7-35(50)51)28(43-31)14-30-23(10-38(56)57)19(2-6-34(48)49)27(42-30)13-26-22(9-37(54)55)18(16-41-26)1-5-33(46)47/h16,41-45H,1-15,17H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)",WDFJYRZCZIUBPR-UHFFFAOYSA-N
BMGC_DG15796,BMG_DG199406,,c1(nc(c([nH]1)-c2ccccc2)-c3ccccc3)-c4ccc(cc4)OC,,SNFCQJAJPFWBDJ-UHFFFAOYSA-N
BMGC_DG15797,BMG_DG199438,,C([N+](C)(C)C)COP(O)(=O)O.[Cl-],,PYJNAPOPMIJKJZ-UHFFFAOYSA-N
BMGC_DG15798,BMG_DG199442,,[nH]1c2ccc(N)cc2cc1,,ZCBIFHNDZBSCEP-UHFFFAOYSA-N
BMGC_DG15799,BMG_DG199451,CC(CCCC(C)(C)O)CC=O,O=CCC(CCCC(O)(C)C)C,"InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3",WPFVBOQKRVRMJB-UHFFFAOYSA-N
BMGC_DG15800,BMG_DG199453,,NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1,,RXAAVLURIXEENO-UHFFFAOYSA-N
BMGC_DG15801,BMG_DG199468,,c1cc2cccc3c2c(c1)C(=O)O3,,QGYVYNJHKNNLFL-UHFFFAOYSA-N
BMGC_DG15802,BMG_DG199478,,c1ccc(C(c2ccccc2)(c3ccccc3)C)cc1,,QIDUHGHFWAMMPV-UHFFFAOYSA-N
BMGC_DG15803,BMG_DG199482,CC(C)CCN,C(C(C)C)CN,"InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3",BMFVGAAISNGQNM-UHFFFAOYSA-N
BMGC_DG15804,BMG_DG199502,C(C#N)C(=O)N,C(C#N)C(=O)N,"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)",DGJMPUGMZIKDRO-UHFFFAOYSA-N
BMGC_DG15805,BMG_DG199511,C1=CC(=CN=C1)C#N,c1(cccnc1)C#N,"InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H",GZPHSAQLYPIAIN-UHFFFAOYSA-N
BMGC_DG15806,BMG_DG199512,C1=NC2=C(N1)C(=O)N=CN2,c12c(nc[nH]c1=O)[nH]cn2,"InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",FDGQSTZJBFJUBT-UHFFFAOYSA-N
BMGC_DG15807,BMG_DG199521,C([C@H](C=O)O)O,O=C[C@H](O)CO,"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1",MNQZXJOMYWMBOU-VKHMYHEASA-N
BMGC_DG15808,BMG_DG199525,CN(C)CCO,N(CCO)(C)C,"InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3",UEEJHVSXFDXPFK-UHFFFAOYSA-N
BMGC_DG15809,BMG_DG199526,,O=C(OCC)C1C(=CC(=O)CC1)C,,VLTANIMRIRCCOQ-UHFFFAOYSA-N
BMGC_DG15810,BMG_DG199529,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,[C@H]1([C@H]([C@@H]([C@@H](CO)O[C@@H]1O)O)O)O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1",WQZGKKKJIJFFOK-DVKNGEFBSA-N
BMGC_DG15811,BMG_DG199533,C(CCCCCC(=O)O)CCCCCO,C(CCCCCCCCCCC(=O)O)O,"InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)",ZDHCZVWCTKTBRY-UHFFFAOYSA-N
BMGC_DG15812,BMG_DG199566,,CCC[N+]#[C-],,FFDKYFGBIQQMSR-UHFFFAOYSA-N
BMGC_DG15813,BMG_DG199588,,CCN=O,,IFYCAQIXDKZDTB-UHFFFAOYSA-N
BMGC_DG15814,BMG_DG199626,CC1CCC(=O)O1,C1(OC(=O)CC1)C,"InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3",GAEKPEKOJKCEMS-UHFFFAOYSA-N
BMGC_DG15815,BMG_DG199677,CC1=CC(=CC=C1)C,c1c(cccc1C)C,"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",IVSZLXZYQVIEFR-UHFFFAOYSA-N
BMGC_DG15816,BMG_DG199717,,c1(c(cc(c(c1)OC)OC)Br)C=O,,UQQROBHFUDBOOK-UHFFFAOYSA-N
BMGC_DG15817,BMG_DG199718,,c1(c2c(cccc2)ccc1OC)C=O,,YIQGLTKAOHRZOL-UHFFFAOYSA-N
BMGC_DG15818,BMG_DG199720,CC1=CC(=NC=C1)C,c1c(ccnc1C)C,"InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3",JYYNAJVZFGKDEQ-UHFFFAOYSA-N
BMGC_DG15819,BMG_DG199770,,O=C(Nc1c(O)ccc(-c2ccccc2)c1)C,,ODBZGVNPNRYIIU-UHFFFAOYSA-N
BMGC_DG15820,BMG_DG199786,CCOC(=O)C1=C(NC(=S)N[C@H]1C2=CC(=CC=C2)O)C,C(C1=C(C)NC(=S)N[C@H]1c2cccc(O)c2)(=O)OCC,"InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)/t12-/m0/s1",LOBCDGHHHHGHFA-LBPRGKRZSA-N
BMGC_DG15821,BMG_DG199838,C1=CN=CN1,c1[nH]cnc1,"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)",RAXXELZNTBOGNW-UHFFFAOYSA-N
BMGC_DG15822,BMG_DG199860,,C1(c2c(cccc2)C(c3c1cccc3)=O)(C)C,,GWFCYDIAPRIMLA-UHFFFAOYSA-N
BMGC_DG15823,BMG_DG199873,C1(=NC(=NC(=N1)N)N)N,c1(nc(nc(n1)N)N)N,"InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)",JDSHMPZPIAZGSV-UHFFFAOYSA-N
BMGC_DG15824,BMG_DG199925,,n1c2c(cc(cc2N)Cl)ccc1,,RRFMPCSQKFOUFO-UHFFFAOYSA-N
BMGC_DG15825,BMG_DG199932,,c1(c(cc(c(c1)O)CC(=O)O)O)CC(=O)O,,MCLKERLHVBEZIW-UHFFFAOYSA-N
BMGC_DG15826,BMG_DG199940,,,,
BMGC_DG15827,BMG_DG199952,C1CCC(CC1)O,C1CCCCC1O,"InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2",HPXRVTGHNJAIIH-UHFFFAOYSA-N
BMGC_DG15828,BMG_DG199960,C1CCC(=O)CC1,O=C1CCCCC1,InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2,JHIVVAPYMSGYDF-UHFFFAOYSA-N
BMGC_DG15829,BMG_DG199978,,C(c1ccccc1)(c2ccccc2)CCN,,KISZTEOELCMZPY-UHFFFAOYSA-N
BMGC_DG15830,BMG_DG199980,CC1=CN=CC=C1,c1(cccnc1)C,"InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3",ITQTTZVARXURQS-UHFFFAOYSA-N
BMGC_DG15831,BMG_DG199983,C1=CC(=CN=C1)O,c1c(cccn1)O,"InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H",GRFNBEZIAWKNCO-UHFFFAOYSA-N
BMGC_DG15832,BMG_DG199986,,,,
BMGC_DG15833,BMG_DG200025,C1=CN=C(N=C1)N,c1(ncccn1)N,"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)",LJXQPZWIHJMPQQ-UHFFFAOYSA-N
BMGC_DG15834,BMG_DG200034,,B(c1ccc(cc1)C)(O)O,,BIWQNIMLAISTBV-UHFFFAOYSA-N
BMGC_DG15835,BMG_DG200035,C1=CC=C2C(=C1)C=CN2,[nH]1ccc2c1cccc2,"InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H",SIKJAQJRHWYJAI-UHFFFAOYSA-N
BMGC_DG15836,BMG_DG200072,,c1(c(cc(cc1)O)O)C(=O)CC,,LLBBBYLDTDJMNU-UHFFFAOYSA-N
BMGC_DG15837,BMG_DG200085,,c1cc(c(cc1CC(=O)O)Cl)Cl,,ZOUPGSMSNQLUNW-UHFFFAOYSA-N
BMGC_DG15838,BMG_DG200105,CCCCC(=O)O,CCCCC(=O)O,"InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)",NQPDZGIKBAWPEJ-UHFFFAOYSA-N
BMGC_DG15839,BMG_DG200124,CCCOC(=O)C,O(C(C)=O)CCC,"InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3",YKYONYBAUNKHLG-UHFFFAOYSA-N
BMGC_DG15840,BMG_DG200138,C1=CC=C2C(=C1)C(=CN2)CC=O,[nH]1cc(c2ccccc12)CC=O,"InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2",WHOOUMGHGSPMGR-UHFFFAOYSA-N
BMGC_DG15841,BMG_DG200141,,c1(c(cc(cc1)Cl)N)C(=O)OC,,YPSSCICDVDOEAI-UHFFFAOYSA-N
BMGC_DG15842,BMG_DG200172,CCCCCl,ClCCCC,"InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3",VFWCMGCRMGJXDK-UHFFFAOYSA-N
BMGC_DG15843,BMG_DG200179,,c12c(c(OC)ccc1C#N)cccc2,,FRCZUGOIGNQOID-UHFFFAOYSA-N
BMGC_DG15844,BMG_DG200184,CCCCN,C(CC)CN,"InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3",HQABUPZFAYXKJW-UHFFFAOYSA-N
BMGC_DG15845,BMG_DG200193,CC[N+](C)(CC)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.[I-],[I-].C[N+](CCOC(c1ccccc1)c2ccccc2)(CC)CC,"InChI=1S/C20H28NO.HI/c1-4-21(3,5-2)16-17-22-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,20H,4-5,16-17H2,1-3H3;1H/q+1;/p-1",HKOZYKMXXBHEHT-UHFFFAOYSA-M
BMGC_DG15846,BMG_DG200201,,CCCN(CP(O)(O)=O)CP(O)(O)=O,,HSEVIBLFMJQZMK-UHFFFAOYSA-N
BMGC_DG15847,BMG_DG200240,,CC(C)N(CP(O)(O)=O)CP(O)(O)=O,,MOJRXHQNPURCNP-UHFFFAOYSA-N
BMGC_DG15848,BMG_DG200256,COCCO,COCCO,"InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3",XNWFRZJHXBZDAG-UHFFFAOYSA-N
BMGC_DG15849,BMG_DG200264,C1=CC=C2C(=C1)C(=CN2)CC(=O)O,c1(c[nH]c2c1cccc2)CC(=O)O,"InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)",SEOVTRFCIGRIMH-UHFFFAOYSA-N
BMGC_DG15850,BMG_DG200276,CN1C(=O)C2=C(NC1=O)N=CN2,n1(c([nH]c2c(c1=O)[nH]cn2)=O)C,"InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)",MVOYJPOZRLFTCP-UHFFFAOYSA-N
BMGC_DG15851,BMG_DG200289,C=COC=C,C(=C)OC=C,"InChI=1S/C4H6O/c1-3-5-4-2/h3-4H,1-2H2",QYKIQEUNHZKYBP-UHFFFAOYSA-N
BMGC_DG15852,BMG_DG200313,CC[C@@H](C(=O)O)N,CC[C@@H](C(=O)O)N,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",QWCKQJZIFLGMSD-VKHMYHEASA-N
BMGC_DG15853,BMG_DG200315,,C1(CCCC1)c2ccccc2O,,JHEKSKQMOBLXQS-UHFFFAOYSA-N
BMGC_DG15854,BMG_DG200321,,C(C)(C)c1c(O)c(=O)cccc1,,TUFYVOCKVJOUIR-UHFFFAOYSA-N
BMGC_DG15855,BMG_DG200324,C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O,c1(c[nH]c2c1cccc2)CC(C(=O)O)=O,"InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)",RSTKLPZEZYGQPY-UHFFFAOYSA-N
BMGC_DG15856,BMG_DG200334,CN(C)CCN(CC1=CC=C(C=C1)Cl)C2=CC=CC=N2.Cl,c1c(nccc1)N(Cc2ccc(Cl)cc2)CCN(C)C.Cl,"InChI=1S/C16H20ClN3.ClH/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14;/h3-10H,11-13H2,1-2H3;1H",VEYWWAGBHABATA-UHFFFAOYSA-N
BMGC_DG15857,BMG_DG200383,,c1(ccc(cc1)CS)OC,,PTDVPWWJRCOIIO-UHFFFAOYSA-N
BMGC_DG15858,BMG_DG200408,,OC(=O)c1c(N)ccc(Cc2ccc(N)c(c2)C(=O)O)c1,,QRUWUSOUUMPANJ-UHFFFAOYSA-N
BMGC_DG15859,BMG_DG200410,,[N+](c1ccc(N2CCNCC2)cc1)([O-])=O,,VWOJSRICSKDKAW-UHFFFAOYSA-N
BMGC_DG15860,BMG_DG200420,,O=C1c2c(OC1)c(O)c(O)cc2,,ZDHCVQNIRWDINX-UHFFFAOYSA-N
BMGC_DG15861,BMG_DG200441,,n1c([nH]c2c1cc(cc2)C)N,,MZZZAWDOYQWKMR-UHFFFAOYSA-N
BMGC_DG15862,BMG_DG200473,,c12c([N+]([O-])=O)cccc2[nH]nn1,,UTMDJGPRCLQPBT-UHFFFAOYSA-N
BMGC_DG15863,BMG_DG200491,,c1cc(C(=O)N)ccc1S(=O)(=O)N,,MWFFIRCXGDGFQB-UHFFFAOYSA-N
BMGC_DG15864,BMG_DG200502,,[nH]1c(c(Br)c([nH]c1=O)=O)N,,FSLBEEVCUZFKRL-UHFFFAOYSA-N
BMGC_DG15865,BMG_DG200522,,NCCCCC,,DPBLXKKOBLCELK-UHFFFAOYSA-N
BMGC_DG15866,BMG_DG200536,,N#CCC(=O)NC,,LIHUTSFYFGCWQP-UHFFFAOYSA-N
BMGC_DG15867,BMG_DG200538,CCCCC=O,CCCCC=O,"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3",HGBOYTHUEUWSSQ-UHFFFAOYSA-N
BMGC_DG15868,BMG_DG200544,C(CCO)CO,C(CCO)CO,"InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2",WERYXYBDKMZEQL-UHFFFAOYSA-N
BMGC_DG15869,BMG_DG200555,C1=CC=C(C=C1)CNC=O,C(=O)NCc1ccccc1,"InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)",IIBOGKHTXBPGEI-UHFFFAOYSA-N
BMGC_DG15870,BMG_DG200576,,N(C(=O)NCc1ccc(cc1)C(F)(F)F)c2c3ccncc3ccc2,,SJGVXVZUSQLLJB-UHFFFAOYSA-N
BMGC_DG15871,BMG_DG200582,II,II,InChI=1S/I2/c1-2,PNDPGZBMCMUPRI-UHFFFAOYSA-N
BMGC_DG15872,BMG_DG200588,,COCCOC,,XTHFKEDIFFGKHM-UHFFFAOYSA-N
BMGC_DG15873,BMG_DG200612,CCOCCO,OCCOCC,"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3",ZNQVEEAIQZEUHB-UHFFFAOYSA-N
BMGC_DG15874,BMG_DG200636,CC(C)(C1=CC(=C(C=C1)O)Br)C2=CC(=C(C(=C2)Br)O)Br,Oc1c(cc(cc1Br)C(c2ccc(O)c(Br)c2)(C)C)Br,"InChI=1S/C15H13Br3O2/c1-15(2,8-3-4-13(19)10(16)5-8)9-6-11(17)14(20)12(18)7-9/h3-7,19-20H,1-2H3",WYBOEVJIVYIEJL-UHFFFAOYSA-N
BMGC_DG15875,BMG_DG200649,CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N,,"InChI=1S/C11H20N2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t8-,9-/m0/s1",VTJUNIYRYIAIHF-IUCAKERBSA-N
BMGC_DG15876,BMG_DG200650,C1CCNCC1,N1CCCCC1,"InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2",NQRYJNQNLNOLGT-UHFFFAOYSA-N
BMGC_DG15877,BMG_DG200653,C1COCCN1,C1COCCN1,"InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2",YNAVUWVOSKDBBP-UHFFFAOYSA-N
BMGC_DG15878,BMG_DG200681,CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C,C(CC(C)C)CC(CCCC(CCCCC(CCCC(CCCC(C)C)C)C)C)C,"InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3",PRAKJMSDJKAYCZ-UHFFFAOYSA-N
BMGC_DG15879,BMG_DG200694,,c1(c(cc(cc1OC)C)OC)OC,,KCIZTNZGSBSSRM-UHFFFAOYSA-N
BMGC_DG15880,BMG_DG200704,CCCCCCC(=O)O,C(=O)(O)CCCCCC,"InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)",MNWFXJYAOYHMED-UHFFFAOYSA-N
BMGC_DG15881,BMG_DG200758,,c1cc([N+](=O)[O-])ccc1N2CCCCC2,,SGPLAXFUDTWHRS-UHFFFAOYSA-N
BMGC_DG15882,BMG_DG200768,,c1(CC(=O)O)c(Cl)cccc1Cl,,SFAILOOQFZNOAU-UHFFFAOYSA-N
BMGC_DG15883,BMG_DG200769,CCCCCCS,C(CCC)CCS,"InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3",PMBXCGGQNSVESQ-UHFFFAOYSA-N
BMGC_DG15884,BMG_DG200771,,c1(c2nsnc2ccc1)[N+]([O-])=O,,IWQKAMJGVIHECB-UHFFFAOYSA-N
BMGC_DG15885,BMG_DG200791,C=C(CC(=O)O)C(=O)O,C(CC(O)=O)(C(O)=O)=C,"InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)",LVHBHZANLOWSRM-UHFFFAOYSA-N
BMGC_DG15886,BMG_DG200800,C(CNCCN)N,N(CCN)CCN,"InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2",RPNUMPOLZDHAAY-UHFFFAOYSA-N
BMGC_DG15887,BMG_DG200820,,S1c2ccccc2Nc3c1ccc(C(=O)C)c3,,JWGBOHJGWOPYCL-UHFFFAOYSA-N
BMGC_DG15888,BMG_DG200821,,N1(c2c(ccc(c2)C(=O)C)Sc3c1cccc3)C(=O)C,,JZADVKPETZDDHU-UHFFFAOYSA-N
BMGC_DG15889,BMG_DG200839,,c1(cc2cc(OCc3ccccc3)ccc2[nH]1)C(=O)O,,MVCLSAMNMAWXFQ-UHFFFAOYSA-N
BMGC_DG15890,BMG_DG200855,,N1=C2N(CCCCC2)CCC1,,GQHTUMJGOHRCHB-UHFFFAOYSA-N
BMGC_DG15891,BMG_DG200921,[K+],[K+],InChI=1S/K/q+1,NPYPAHLBTDXSSS-UHFFFAOYSA-N
BMGC_DG15892,BMG_DG200999,,n1[nH]c2cc(N)ccc2c1,,KEJFADGISRFLFO-UHFFFAOYSA-N
BMGC_DG15893,BMG_DG201004,,N1(c2cc(OC)ccc2)CCNCC1,,PZIBVWUXWNYTNL-UHFFFAOYSA-N
BMGC_DG15894,BMG_DG201034,,CCOC(=O)c1cn[nH]c1N,,YPXGHKWOJXQLQU-UHFFFAOYSA-N
BMGC_DG15895,BMG_DG201048,COCCOCCOC,COCCOCCOC,"InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3",SBZXBUIDTXKZTM-UHFFFAOYSA-N
BMGC_DG15896,BMG_DG201061,CCCCCCCCCCCC[N+](C)(C)C,[N+](CCCCCCCCCCCC)(C)(C)C,"InChI=1S/C15H34N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3/q+1",VICYBMUVWHJEFT-UHFFFAOYSA-N
BMGC_DG15897,BMG_DG201078,,C(CCCCCCCCCCCCCCCCC)[N+](C)(C)C,,PDSVZUAJOIQXRK-UHFFFAOYSA-N
BMGC_DG15898,BMG_DG201122,CCCCCCCCCC(=O)C,C(CCCCCC)CCC(C)=O,"InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3",KYWIYKKSMDLRDC-UHFFFAOYSA-N
BMGC_DG15899,BMG_DG201152,,N(CCCCCCCCCCCC)(C)C,,YWFWDNVOPHGWMX-UHFFFAOYSA-N
BMGC_DG15900,BMG_DG201156,,N(N(c1cc(c2c(n1)n(nc2C)C)C(C)C)CCO)C(=O)Nc3cc(nc(c3)OCCC)Cl,,GOQBSVFOBGVWTA-UHFFFAOYSA-N
BMGC_DG15901,BMG_DG201157,CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)OC4=NC(=NC=C4)NC5=CC(=CC(=C5)C(=O)NCCOCCOCCOC)C#C,C(c1cc(cc(c1)C#C)Nc2nc(ccn2)Oc3ccc(c4ccccc34)NC(=O)Nc5c(c(cc(c5)C(C)(C)C)NS(=O)(=O)C)OC)(=O)NCCOCCOCCOC,"InChI=1S/C43H49N7O9S/c1-8-28-23-29(40(51)44-17-18-57-21-22-58-20-19-55-5)25-31(24-28)46-41-45-16-15-38(49-41)59-37-14-13-34(32-11-9-10-12-33(32)37)47-42(52)48-35-26-30(43(2,3)4)27-36(39(35)56-6)50-60(7,53)54/h1,9-16,23-27,50H,17-22H2,2-7H3,(H,44,51)(H,45,46,49)(H2,47,48,52)",FWXVGKSWZJEPQI-UHFFFAOYSA-N
BMGC_DG15902,BMG_DG201176,C(COCCOCCO)O,OCCOCCOCCO,"InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2",ZIBGPFATKBEMQZ-UHFFFAOYSA-N
BMGC_DG15903,BMG_DG201178,,C(N[C@H](C(O)=O)C)([C@H](CC(C)C)N)=O,,HSQGMTRYSIHDAC-BQBZGAKWSA-N
BMGC_DG15904,BMG_DG201184,,N1(C(C=CC1=O)=O)c2ccc(cc2)O,,BLLFPKZTBLMEFG-UHFFFAOYSA-N
BMGC_DG15905,BMG_DG201190,,c1(c(c(C=O)cc(c1)C)O)C=O,,ZBOUXALQDLLARY-UHFFFAOYSA-N
BMGC_DG15906,BMG_DG201191,,N(CCCCCCCCCCCC)C,,OMEMQVZNTDHENJ-UHFFFAOYSA-N
BMGC_DG15907,BMG_DG201219,,O(CCOCC)CCOCC,,RRQYJINTUHWNHW-UHFFFAOYSA-N
BMGC_DG15908,BMG_DG201238,,O=c1[nH][nH]c2ccccc12,,SWEICGMKXPNXNU-UHFFFAOYSA-N
BMGC_DG15909,BMG_DG201240,,C(CO)(CO)(CO)NCCS(O)(=O)=O,,JOCBASBOOFNAJA-UHFFFAOYSA-N
BMGC_DG15910,BMG_DG201253,CCCCCCCCCCC=O,C(CCCCC=O)CCCCC,"InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3",KMPQYAYAQWNLME-UHFFFAOYSA-N
BMGC_DG15911,BMG_DG201274,,COCCOCCOCCOC,,YFNKIDBQEZZDLK-UHFFFAOYSA-N
BMGC_DG15912,BMG_DG201280,,n1[nH]c2cc(N)c(cc2c1)N,,QJPUNSUXMNSPCN-UHFFFAOYSA-N
BMGC_DG15913,BMG_DG201289,,n1c(oc2c1cc(cc2)C)-c3ccccc3,,RDBLNMQDEWOUIB-UHFFFAOYSA-N
BMGC_DG15914,BMG_DG201296,CCCCCCCCCCCCO,OCCCCCCCCCCCC,"InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3",LQZZUXJYWNFBMV-UHFFFAOYSA-N
BMGC_DG15915,BMG_DG201328,C(CNCCNCCNCCN)N,N(CCNCCN)CCNCCN,"InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2",FAGUFWYHJQFNRV-UHFFFAOYSA-N
BMGC_DG15916,BMG_DG201391,,C(CN(c1ccc(cc1)N)CCO)O,,ISCYHXYLVTWDJT-UHFFFAOYSA-N
BMGC_DG15917,BMG_DG201401,,CCOP(=O)(OCC)CC(OCC)OCC,,LUQYELQXRPNKRY-UHFFFAOYSA-N
BMGC_DG15918,BMG_DG201403,,c1(c([nH]c2c1cc(cc2)O)C)C(=O)OCC,,BSNHKSUAAMJXBB-UHFFFAOYSA-N
BMGC_DG15919,BMG_DG201407,,c1cc2c(cc1)c(cc(o2)=O)N,,AHZAKFLOHIRCDU-UHFFFAOYSA-N
BMGC_DG15920,BMG_DG201464,CN1C2=CC=CC=C2C=C3C1=C4C=CC=CC4=N3,c1cc2c(cc1)cc3-c(n2C)c4c(n3)cccc4,"InChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14/h2-10H,1H3",KURWKDDWCJELSV-UHFFFAOYSA-N
BMGC_DG15921,BMG_DG201465,,c12c(OC)c3c(cco3)c(c1ccc(=O)o2)OCC=C(C)C,,NNDOCYLWULORAM-UHFFFAOYSA-N
BMGC_DG15922,BMG_DG201467,CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C,c12c(cc(c(c1)C(c3ccc(C(=O)O)cc3)=C)C)C(C)(C)CCC2(C)C,"InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)",NAVMQTYZDKMPEU-UHFFFAOYSA-N
BMGC_DG15923,BMG_DG201468,CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC,c1c(CCNC(C)=O)c2cc(ccc2cc1)OC,"InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)",YJYPHIXNFHFHND-UHFFFAOYSA-N
BMGC_DG15924,BMG_DG201471,CCCCCCCCCCCCCCCCCCCCCC(=O)O,C(=O)(O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)",UKMSUNONTOPOIO-UHFFFAOYSA-N
BMGC_DG15925,BMG_DG201473,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@]35C)F)O,[C@@]12([C@@]3([C@@]([H])(C[C@@]1([H])OC(C)(C)O2)[C@@]4([H])[C@@]([H])([C@@]5(C([C@H](C4)F)=CC(C=C5)=O)C)[C@@H](O)C3)C)C(CO)=O,"InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1",XSFJVAJPIHIPKU-XWCQMRHXSA-N
BMGC_DG15926,BMG_DG201496,,C=CC(=O)Nc1ccc(cc1)OC,,YMHDGRAROYGJLT-UHFFFAOYSA-N
BMGC_DG15927,BMG_DG201497,,NC(=O)c1sc2ccccc2c1N,,LTNWICBPQWPXDK-UHFFFAOYSA-N
BMGC_DG15928,BMG_DG201524,C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C,[C@@]12(N(C(=O)[C@@](O1)(NC([C@@H]3C=C4c5c6c([nH]cc6C[C@]4(N(C3)C)[H])ccc5)=O)C)[C@@H](Cc7ccccc7)C(N8[C@]2(CCC8)[H])=O)O,"InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1",XCGSFFUVFURLIX-VFGNJEKYSA-N
BMGC_DG15929,BMG_DG201548,CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C,C=12[C@](N(C)C[C@@H](C1)C(N[C@H](CO)CC)=O)(Cc3c4c2cccc4[nH]c3)[H],"InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1",UNBRKDKAWYKMIV-QWQRMKEZSA-N
BMGC_DG15930,BMG_DG201552,,O=C1N(O)C(=O)c2c3c(cccc13)ccc2,,KTWCUGUUDHJVIH-UHFFFAOYSA-N
BMGC_DG15931,BMG_DG201554,,O=S(=O)(N)N,,NVBFHJWHLNUMCV-UHFFFAOYSA-N
BMGC_DG15932,BMG_DG201569,C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N,,"InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)",KBZOIRJILGZLEJ-UHFFFAOYSA-N
BMGC_DG15933,BMG_DG201580,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,[C@H]1([C@H]([C@@H]([C@@H](CO)O[C@@H]1O)O)O)NC(=O)C,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1",OVRNDRQMDRJTHS-PVFLNQBWSA-N
BMGC_DG15934,BMG_DG201581,,,,
BMGC_DG15935,BMG_DG201582,,n1(ccnc1)-c2ccc(cc2)C(=O)C,,GAIQQJIMVVUTQN-UHFFFAOYSA-N
BMGC_DG15936,BMG_DG201585,CCN1C2=CC=CC=C2NC1=O,c1(n(c2ccccc2[nH]1)CC)=O,"InChI=1S/C9H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9(11)12/h3-6H,2H2,1H3,(H,10,12)",CXUCKELNYMZTRT-UHFFFAOYSA-N
BMGC_DG15937,BMG_DG201586,,C(c1c[nH]c2ccccc21)CNC(=O)/C=C/c3ccccc3,,YSNGDZDGGGVGHU-ZHACJKMWSA-N
BMGC_DG15938,BMG_DG201611,,c1(-c2nc3c(cccc3)c(o2)=O)c(NS(c4cc5c(cccc5)cc4)(=O)=O)cccc1,,SYRKOPHMPLPLPQ-UHFFFAOYSA-N
BMGC_DG15939,BMG_DG201615,,Cc1cc(Br)ccc1NC(=O)c2ccc3ccccc3c2,,QDOYRUBXBHREAH-UHFFFAOYSA-N
BMGC_DG15940,BMG_DG201622,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O,C(OP(=O)(O)O)[C@H]1O[C@H](OP(=O)(O)O)[C@@H]([C@H]([C@@H]1O)O)O,"InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1",RWHOZGRAXYWRNX-VFUOTHLCSA-N
BMGC_DG15941,BMG_DG201651,CC(=O)NNC1=CC=CC=C1,c1cccc(c1)NNC(C)=O,"InChI=1S/C8H10N2O/c1-7(11)9-10-8-5-3-2-4-6-8/h2-6,10H,1H3,(H,9,11)",UICBCXONCUFSOI-UHFFFAOYSA-N
BMGC_DG15942,BMG_DG201661,C1=CC=C(C=C1)CCN=C(N)N=C(N)N,N(C(=N)NCCc1ccccc1)C(=N)N,"InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)",ICFJFFQQTFMIBG-UHFFFAOYSA-N
BMGC_DG15943,BMG_DG201687,COC,COC,InChI=1S/C2H6O/c1-3-2/h1-2H3,LCGLNKUTAGEVQW-UHFFFAOYSA-N
BMGC_DG15944,BMG_DG201716,C(C(Cl)(Cl)Cl)O,C(Cl)(Cl)(Cl)CO,"InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2",KPWDGTGXUYRARH-UHFFFAOYSA-N
BMGC_DG15945,BMG_DG201721,,O(C)c1c2c(c(OC)ccc2)[nH]c(=O)c1,,HPPSTURWGYFXQN-UHFFFAOYSA-N
BMGC_DG15946,BMG_DG201773,CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C,C1(C(c2ccccc2N1)(c3ccc(OC(=O)C)cc3)c4ccc(OC(=O)C)cc4)=O,"InChI=1S/C24H19NO5/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)21-5-3-4-6-22(21)25-23(24)28/h3-14H,1-2H3,(H,25,28)",PHPUXYRXPHEJDF-UHFFFAOYSA-N
BMGC_DG15947,BMG_DG201774,,c1([nH]c2ccc(cc2c1)Cl)C(=O)O,,FUQOTYRCMBZFOL-UHFFFAOYSA-N
BMGC_DG15948,BMG_DG201778,,NCCCCCCCCCCCCCCCCCCCC,,BUHXFUSLEBPCEB-UHFFFAOYSA-N
BMGC_DG15949,BMG_DG201783,CCC1(C(=O)NC(=O)N(C1=O)C)C2=CC=CC=C2,N1(C(C(C(=O)NC1=O)(c2ccccc2)CC)=O)C,"InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)",ALARQZQTBTVLJV-UHFFFAOYSA-N
BMGC_DG15950,BMG_DG201787,C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C(=C3)Br)O)Br)C4=CC(=C(C(=C4)Br)O)Br,Oc1c(cc(cc1Br)C2(OS(=O)(=O)c3c2cccc3)c4cc(Br)c(O)c(Br)c4)Br,"InChI=1S/C19H10Br4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H",UDSAIICHUKSCKT-UHFFFAOYSA-N
BMGC_DG15951,BMG_DG201810,,C(N(c1ccccc1)C)(SSC(N(c2ccccc2)C)=S)=S,,RDQQCSOIXMZZQR-UHFFFAOYSA-N
BMGC_DG15952,BMG_DG201813,CCC(C)C1(C(=O)NC(=O)NC1=O)CC=C,C1(C(C(=O)NC(N1)=O)(C(CC)C)CC=C)=O,"InChI=1S/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)",BJVVMKUXKQHWJK-UHFFFAOYSA-N
BMGC_DG15953,BMG_DG201816,C1=CC(=C(C=C1CCO)O)O,Oc1ccc(CCO)cc1O,"InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2",JUUBCHWRXWPFFH-UHFFFAOYSA-N
BMGC_DG15954,BMG_DG201829,C(CC(C(=O)O)N)CN=C(N)NC(CC(=O)O)C(=O)O,,"InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)",KDZOASGQNOPSCU-UHFFFAOYSA-N
BMGC_DG15955,BMG_DG201830,CCC1(C(=O)N(C(=O)O1)C)C,N1(C(OC(C1=O)(CC)C)=O)C,"InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3",VQASKUSHBVDKGU-UHFFFAOYSA-N
BMGC_DG15956,BMG_DG201831,CC(=CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N)C,CC(=CC(=O)NS(=O)(=O)c1ccc(cc1)N)C,"InChI=1S/C11H14N2O3S/c1-8(2)7-11(14)13-17(15,16)10-5-3-9(12)4-6-10/h3-7H,12H2,1-2H3,(H,13,14)",XRVJPLDTMUSSDE-UHFFFAOYSA-N
BMGC_DG15957,BMG_DG201835,,C(CO)(CO)(CC)CC,,XRVCFZPJAHWYTB-UHFFFAOYSA-N
BMGC_DG15958,BMG_DG201837,C(C(CO)(CO)CO)O,C(CO)(CO)(CO)CO,"InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2",WXZMFSXDPGVJKK-UHFFFAOYSA-N
BMGC_DG15959,BMG_DG201876,C(C[Ge](=O)O[Ge](=O)CCC(=O)O)C(=O)O,,"InChI=1S/C6H10Ge2O7/c9-5(10)1-3-7(13)15-8(14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)",XEABSBMNTNXEJM-UHFFFAOYSA-N
BMGC_DG15960,BMG_DG201880,,O=S(=O)(Nc1cccc2cccnc12)c3cccs3,,CPSRVVXBTZFZPM-UHFFFAOYSA-N
BMGC_DG15961,BMG_DG201884,,C(c1cc(O)ccc1)(=O)c2ccccc2,,SHULEACXTONYPS-UHFFFAOYSA-N
BMGC_DG15962,BMG_DG201887,,Cc1ccnc(c1)NCc2ccccc2,,QHDJYTUZWBABGW-UHFFFAOYSA-N
BMGC_DG15963,BMG_DG201915,,Cc1cccc(c1)N2CCNCC2,,JIWHIRLNKIUYSM-UHFFFAOYSA-N
BMGC_DG15964,BMG_DG201918,,Clc1ccccc1CCN,,RZBOMSOHMOVUES-UHFFFAOYSA-N
BMGC_DG15965,BMG_DG201922,CN1C2=C(NC1=O)N(C(=O)NC2=O)C,n1(c([nH]c2n(c([nH]c(c12)=O)=O)C)=O)C,"InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)",HMLZLHKHNBLLJD-UHFFFAOYSA-N
BMGC_DG15966,BMG_DG201939,C1=CC=C(C(=C1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O,N1(c2c(N3C(C=CC3=O)=O)cccc2)C(C=CC1=O)=O,InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10(9)16-13(19)7-8-14(16)20/h1-8H,UFFVWIGGYXLXPC-UHFFFAOYSA-N
BMGC_DG15967,BMG_DG201942,,,,
BMGC_DG15968,BMG_DG201959,,c12c(C(c3ccccc3C1=O)=O)c(ccc2OC)N,,KXOGXZAXERYOTC-UHFFFAOYSA-N
BMGC_DG15969,BMG_DG201967,,c12c(C(c3ccccc3C1=O)=O)c(ccc2N)O,,AQXYVFBSOOBBQV-UHFFFAOYSA-N
BMGC_DG15970,BMG_DG201973,C1=CC=C(C=C1)CCCCN,NCCCCc1ccccc1,"InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2",AGNFWIZBEATIAK-UHFFFAOYSA-N
BMGC_DG15971,BMG_DG201992,,C(Nc1ccc(cc1)-c2ccccc2)(=O)N,,FAVOSJNIJZMFAB-UHFFFAOYSA-N
BMGC_DG15972,BMG_DG202001,,c1c(Cl)cccc1Nc2ccccc2C(=O)O,,OVMWPVYEBVFZHM-UHFFFAOYSA-N
BMGC_DG15973,BMG_DG202016,,C(c1ccccc1)(c2ccccc2)C(O)=O,,PYHXGXCGESYPCW-UHFFFAOYSA-N
BMGC_DG15974,BMG_DG202044,,,,
BMGC_DG15975,BMG_DG202049,C1CC[C@@H]([C@H](C1)N2CCC(CC2)C3=CC=CC=C3)O,,"InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m0/s1",YSSBJODGIYRAMI-IRXDYDNUSA-N
BMGC_DG15976,BMG_DG202063,C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)Cl,C1(=C(C(=O)c2c(C1=O)cccc2)Cl)Cl,InChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,SVPKNMBRVBMTLB-UHFFFAOYSA-N
BMGC_DG15977,BMG_DG202068,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC,c1(c(C(OCC(CC)CCCC)=O)cccc1)C(OCC(CC)CCCC)=O,"InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3",BJQHLKABXJIVAM-UHFFFAOYSA-N
BMGC_DG15978,BMG_DG202095,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O,c12C(C[C@H](Oc1cc(cc2O)O[C@H]3[C@@H]([C@@H](O)[C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H](O)[C@H]([C@@H](O4)C)O)O)O)O)c5cc(O)c(cc5)O)=O,"InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1",OMQADRGFMLGFJF-MNPJBKLOSA-N
BMGC_DG15979,BMG_DG202117,,O=C(N1[C@@H](CCC1)C(O)=O)[C@@H](N)C,,WPWUFUBLGADILS-WDSKDSINSA-N
BMGC_DG15980,BMG_DG202145,C1=CC=C2C(=C1)C(=O)OC(=O)N2,c12c([nH]c(=O)oc1=O)cccc2,"InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)",TXJUTRJFNRYTHH-UHFFFAOYSA-N
BMGC_DG15981,BMG_DG202151,C1=CC(=C(C=C1CC(C(=O)O)N)O)O,C(C(Cc1cc(O)c(cc1)O)N)(=O)O,"InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)",WTDRDQBEARUVNC-UHFFFAOYSA-N
BMGC_DG15982,BMG_DG202155,C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O,C(c1c(O)cccc1)(Oc2ccccc2)=O,"InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H",ZQBAKBUEJOMQEX-UHFFFAOYSA-N
BMGC_DG15983,BMG_DG202164,CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O,C(c1c(O)cccc1)(OC2CC(C)(C)CC(C2)C)=O,"InChI=1S/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3",WSSJONWNBBTCMG-UHFFFAOYSA-N
BMGC_DG15984,BMG_DG202172,,c1(C(CN(C)C)c2ccccc2)ccccc1,,UAUJDKBNVRSJBD-UHFFFAOYSA-N
BMGC_DG15985,BMG_DG202182,,O=C1C=CC(=O)N1c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2,,XQUPVDVFXZDTLT-UHFFFAOYSA-N
BMGC_DG15986,BMG_DG202219,,Cc1nccn1Cc2ccccc2,,FBHPRUXJQNWTEW-UHFFFAOYSA-N
BMGC_DG15987,BMG_DG202220,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,c1(c(c(c(Cl)c(c1Cl)Cl)Cl)Cl)Cl,InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9,CKAPSXZOOQJIBF-UHFFFAOYSA-N
BMGC_DG15988,BMG_DG202228,C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl,C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl,InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11,UGNWTBMOAKPKBL-UHFFFAOYSA-N
BMGC_DG15989,BMG_DG202256,CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],c1([N+]([O-])=O)c(c([N+]([O-])=O)cc([N+]([O-])=O)c1)C,"InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3",SPSSULHKWOKEEL-UHFFFAOYSA-N
BMGC_DG15990,BMG_DG202259,,C(=O)(COC(=O)C)O,,MLXDUYUQINCFFV-UHFFFAOYSA-N
BMGC_DG15991,BMG_DG202264,,S(c1c([N+]([O-])=O)cc(cc1)Cl)(=O)(=O)N,,QOQQUXGKXVOXTH-UHFFFAOYSA-N
BMGC_DG15992,BMG_DG202268,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N,[C@@H]1([C@](O[C@@H]2[C@@H]([C@@H](O)[C@@H]([C@H](O2)CN)O)N)([C@H](C[C@H]([C@@H]1O)N)N)[H])O[C@]3([C@@H]([C@H](O[C@@]4([C@@H]([C@H]([C@H](O)[C@@H](O4)CN)O)N)[H])[C@H](O3)CO)O)[H],"InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",PGBHMTALBVVCIT-VCIWKGPPSA-N
BMGC_DG15993,BMG_DG202277,CNCC(C1=CC(=C(C=C1)O)O)O,c1(c(O)ccc(C(CNC)O)c1)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3",UCTWMZQNUQWSLP-UHFFFAOYSA-N
BMGC_DG15994,BMG_DG202288,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2,S1C[C@@]2(NC(N[C@]2([H])[C@@H]1CCCCC(NCCCC[C@@H](C(=O)O)N)=O)=O)[H],"InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1",BAQMYDQNMFBZNA-MNXVOIDGSA-N
BMGC_DG15995,BMG_DG202311,,c12c(ccc(c1)S(O)(=O)=O)cccc2N,,QEZZCWMQXHXAFG-UHFFFAOYSA-N
BMGC_DG15996,BMG_DG202321,C([C@H](C(=O)O)N)C(=O)O,[C@H](N)(C(=O)O)CC(=O)O,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1",CKLJMWTZIZZHCS-UWTATZPHSA-N
BMGC_DG15997,BMG_DG202324,C[C@@H]1O[C@]2(CN3CCC2CC3)CS1,,"InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10-/m1/s1",WUTYZMFRCNBCHQ-PSASIEDQSA-N
BMGC_DG15998,BMG_DG202327,CC1=CC(=C(C=C1)O)[N+](=O)[O-],c1(c(ccc(c1)C)O)[N+](=O)[O-],"InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3",SYDNSSSQVSOXTN-UHFFFAOYSA-N
BMGC_DG15999,BMG_DG202341,,O[C@@]1(C)[C@H](O)[C@@H](C)[C@@H](N)[C@H](C)C[C@](O)(C)[C@@H]([C@H]([C@@H]([C@H](C(O[C@@H]1CC)=O)C)O[C@]2([H])O[C@@H](C)[C@H](O)[C@](C)(OC)C2)C)O[C@]3([H])O[C@H](C)C[C@H](N(C)C)[C@H]3O,,XCLJRCAJSCMIND-JCTYMORFSA-N
BMGC_DG16000,BMG_DG202342,CC[C@@H]1[C@@]([C@@H]([C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)O)(C)O,[C@]1([C@@H]([C@@H](N(C)C)C[C@H](O1)C)O)(O[C@@H]2[C@H]([C@@H]([C@H](C(O[C@@H]([C@]([C@@H]([C@H](C3=C(C[C@]2(O3)C)C)C)O)(O)C)CC)=O)C)O[C@]4(C[C@]([C@H]([C@@H](O4)C)O)(OC)C)[H])C)[H],"InChI=1S/C37H65NO12/c1-14-25-37(10,43)30(40)20(4)28-18(2)16-36(9,50-28)32(49-34-27(39)24(38(11)12)15-19(3)45-34)21(5)29(22(6)33(42)47-25)48-26-17-35(8,44-13)31(41)23(7)46-26/h19-27,29-32,34,39-41,43H,14-17H2,1-13H3/t19-,20+,21+,22-,23+,24+,25-,26+,27-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",JFVYXJKGJMUGRG-KJPZRSJGSA-N
BMGC_DG16001,BMG_DG202349,CCCS(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC,c1cc2c(nc(NC(OC)=O)[nH]2)cc1[S+](CCC)[O-],"InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)",VXTGHWHFYNYFFV-UHFFFAOYSA-N
BMGC_DG16002,BMG_DG202351,CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C,C1(C(C(OCN2C(C=3CCCCC3C2=O)=O)=O)C1(C)C)C=C(C)C,"InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3",CXBMCYHAMVGWJQ-UHFFFAOYSA-N
BMGC_DG16003,BMG_DG202352,,c1(c(c(cc(c1)C)C(C)(C)C)O)Cc2c(c(cc(c2)C)C(C)(C)C)O,,KGRVJHAUYBGFFP-UHFFFAOYSA-N
BMGC_DG16004,BMG_DG202357,C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O,C(C(c1ccccc1)O)(=O)c2ccccc2,"InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H",ISAOCJYIOMOJEB-UHFFFAOYSA-N
BMGC_DG16005,BMG_DG202359,C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O.C(C(CO)(CO)N)O,n12c(C(CC1)C(=O)O)ccc2C(=O)c3ccccc3.C(N)(CO)(CO)CO,"InChI=1S/C15H13NO3.C4H11NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13;5-4(1-6,2-7)3-8/h1-7,11H,8-9H2,(H,18,19);6-8H,1-3,5H2",BWHLPLXXIDYSNW-UHFFFAOYSA-N
BMGC_DG16006,BMG_DG202366,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O,[C@@H]1([C@@H]([C@@H](N(C)C)C[C@H](O1)C)O)O[C@@]2([C@H]([C@@]([C@H](C(O[C@H](CC)[C@]([C@@H]([C@H](C([C@@H](C[C@]2(OC)C)C)=O)C)O)(O)C)=O)C)(O[C@H]3C[C@](OC)(C)[C@H]([C@@H](O3)C)O)[H])C)[H],"InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",AGOYDEPGAOXOCK-KCBOHYOISA-N
BMGC_DG16007,BMG_DG202371,,N1C(C(OC1=O)c2ccccc2)=O,,SBYYYVAMWBVIIX-UHFFFAOYSA-N
BMGC_DG16008,BMG_DG202375,C1=CC=C2C=NC=CC2=C1,n1cc2ccccc2cc1,InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H,AWJUIBRHMBBTKR-UHFFFAOYSA-N
BMGC_DG16009,BMG_DG202381,,c1-2c(cc(=O)c(cc1)SC)[C@@H](NC(=O)C)CCc3c2c(c(OC)c(c3)O)OC,,PKYOHQGXPPVIGD-HNNXBMFYSA-N
BMGC_DG16010,BMG_DG202382,,c12c(ccc(c1)S(O)(=O)=O)c(ccc2)N,,UWPJYQYRSWYIGZ-UHFFFAOYSA-N
BMGC_DG16011,BMG_DG202383,CCN(CC)CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O,[C@@]12([C@@](C(COC(=O)CN(CC)CC)=O)(CC[C@]2([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)[H])(CCC(=O)C4)C)[H])[H])O)C,"InChI=1S/C27H41NO6/c1-5-28(6-2)15-23(32)34-16-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4/h13,19-21,24,30,33H,5-12,14-16H2,1-4H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1",FWFVLWGEFDIZMJ-FOMYWIRZSA-N
BMGC_DG16012,BMG_DG202387,CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3,c1(oncc1C(c2c(cc(C(F)(F)F)cc2)S(C)(=O)=O)=O)C3CC3,"InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3",OYIKARCXOQLFHF-UHFFFAOYSA-N
BMGC_DG16013,BMG_DG202420,COC1=C(C=C2C(=C1)C=CC(=O)O2)OC,c12c(cc(OC)c(c1)OC)oc(=O)cc2,"InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3",GUAFOGOEJLSQBT-UHFFFAOYSA-N
BMGC_DG16014,BMG_DG202432,,c12c(ccc(c1)S(O)(=O)=O)cccc2,,KVBGVZZKJNLNJU-UHFFFAOYSA-N
BMGC_DG16015,BMG_DG202439,C1=CC=C2C=C(C=CC2=C1)OCC(=O)O,c12c(ccc(c1)OCC(O)=O)cccc2,"InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)",RZCJYMOBWVJQGV-UHFFFAOYSA-N
BMGC_DG16016,BMG_DG202446,,C(CNN)(=O)O,,RRBZUCWNYQUCTR-UHFFFAOYSA-N
BMGC_DG16017,BMG_DG202462,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,O[C@@H]1[C@H](NC(C)=O)[C@@H](O)[C@@H](O)[C@@H](CO)O1,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1",OVRNDRQMDRJTHS-CBQIKETKSA-N
BMGC_DG16018,BMG_DG202490,C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2,c1(C(CC(c2ccccc2)=O)=O)ccccc1,"InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2",NZZIMKJIVMHWJC-UHFFFAOYSA-N
BMGC_DG16019,BMG_DG202494,CCOC(=O)C1=CC=C(C=C1)O,C(c1ccc(cc1)O)(=O)OCC,"InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3",NUVBSKCKDOMJSU-UHFFFAOYSA-N
BMGC_DG16020,BMG_DG202548,C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3,s1c(nc2c1cccc2)SSc3sc4ccccc4n3,InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H,AFZSMODLJJCVPP-UHFFFAOYSA-N
BMGC_DG16021,BMG_DG202622,C(C(=O)[O-])N.C(C(=O)[O-])N.[Mg+2],NCC([O-])=O.[Mg+2].NCC([O-])=O,"InChI=1S/2C2H5NO2.Mg/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2",AACACXATQSKRQG-UHFFFAOYSA-L
BMGC_DG16022,BMG_DG202624,,c1(cc(c(O)cc1)O)C(CNC(C)C)=O,,BIQMIYWSZZTXEX-UHFFFAOYSA-N
BMGC_DG16023,BMG_DG202641,COC1=C(C=CC(=C1)C(=O)O)O,c1(cc(ccc1O)C(O)=O)OC,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",WKOLLVMJNQIZCI-UHFFFAOYSA-N
BMGC_DG16024,BMG_DG202652,CS(=O)CCC(C(=O)O)N,C[S+]([O-])CCC(N)C(=O)O,"InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",QEFRNWWLZKMPFJ-UHFFFAOYSA-N
BMGC_DG16025,BMG_DG202658,,,,
BMGC_DG16026,BMG_DG202665,,n1nc(sc1N)S(=O)(=O)N,,VGMVBPQOACUDRU-UHFFFAOYSA-N
BMGC_DG16027,BMG_DG202687,,CCC(=O)Nc1ccc(S(N)(=O)=O)cc1,,KEFCIQSZJXXOLO-UHFFFAOYSA-N
BMGC_DG16028,BMG_DG202691,CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-],C(c1ccc(OCCOCC[N+](Cc2ccccc2)(C)C)cc1)(CC(C)(C)C)(C)C.[Cl-],"InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1",UREZNYTWGJKWBI-UHFFFAOYSA-M
BMGC_DG16029,BMG_DG202701,C1=CC(=CC=C1NC(=O)N)[As](=O)(O)O,[As](c1ccc(NC(=O)N)cc1)(=O)(O)O,"InChI=1S/C7H9AsN2O4/c9-7(11)10-6-3-1-5(2-4-6)8(12,13)14/h1-4H,(H3,9,10,11)(H2,12,13,14)",WWXBHTZSYYGCSG-UHFFFAOYSA-N
BMGC_DG16030,BMG_DG202702,,C1(CCCCC)=CC(C=C(C1=O)OC)=O,,WLWIMKWZMGJRBS-UHFFFAOYSA-N
BMGC_DG16031,BMG_DG202710,CSCC[C@H](C(=O)O)N,C(=O)([C@H](N)CCSC)O,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1",FFEARJCKVFRZRR-SCSAIBSYSA-N
BMGC_DG16032,BMG_DG202713,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N,CC(=O)Nc1ccc(cc1)S(=O)(=O)N,"InChI=1S/C8H10N2O3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)",PKOFBDHYTMYVGJ-UHFFFAOYSA-N
BMGC_DG16033,BMG_DG202735,,,,
BMGC_DG16034,BMG_DG202744,C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F,,"InChI=1S/C17H11F3O3/c18-17(19,20)14-9-16(21)23-15-8-12(6-7-13(14)15)22-10-11-4-2-1-3-5-11/h1-9H,10H2",WVKLERKKJXUPIK-UHFFFAOYSA-N
BMGC_DG16035,BMG_DG202772,,[O-]I(=O)=O,,ICIWUVCWSCSTAQ-UHFFFAOYSA-M
BMGC_DG16036,BMG_DG202781,C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,O(C[C@@H](O)[C@@H](O)[C@H](O)C(COP(=O)(O)O)=O)P(=O)(O)O,"InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1",XPYBSIWDXQFNMH-UYFOZJQFSA-N
BMGC_DG16037,BMG_DG202797,COC1=CC=C(C=C1)C(=O)OC,c1(ccc(OC)cc1)C(OC)=O,"InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3",DDIZAANNODHTRB-UHFFFAOYSA-N
BMGC_DG16038,BMG_DG202809,,COc1cc2oc(=O)ccc2cc1C(C)=O,,QDWMZGNQFSIPKO-UHFFFAOYSA-N
BMGC_DG16039,BMG_DG202844,,n1c2cc(NC(=O)C)ccc2cc3c1cc(NC(=O)C)cc3,,IPBVFYCAVIISQF-UHFFFAOYSA-N
BMGC_DG16040,BMG_DG202955,,c12c3-c4c(cccc4)C(c1cccc2[nH]n3)=O,,ACPOUJIDANTYHO-UHFFFAOYSA-N
BMGC_DG16041,BMG_DG202987,,C([C@H](NC([C@H](Cc1ccccc1)N)=O)C(N)=O)c2ccccc2,,XXPXQEQOAZMUDD-HOTGVXAUSA-N
BMGC_DG16042,BMG_DG203006,C1CN(CCN1)C2=C(C(=CC=C2)Cl)Cl,C1N(c2cccc(Cl)c2Cl)CCNC1,"InChI=1S/C10H12Cl2N2/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14/h1-3,13H,4-7H2",UDQMXYJSNNCRAS-UHFFFAOYSA-N
BMGC_DG16043,BMG_DG203202,,N1(c2c(cc(N)cc2)C)CCCC1,,HXGBHCCAZHQXQV-UHFFFAOYSA-N
BMGC_DG16044,BMG_DG203228,,c1(c(cc(cc1I)CC(C(=O)O)N)I)Oc2cc(I)c(c(c2)I)O,,XUIIKFGFIJCVMT-UHFFFAOYSA-N
BMGC_DG16045,BMG_DG203229,C1=CC=C2C(=O)C=CC(=O)C2=C1,c12c(C(C=CC1=O)=O)cccc2,InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,FRASJONUBLZVQX-UHFFFAOYSA-N
BMGC_DG16046,BMG_DG203275,C/C=C/C1=CC(=C(C=C1)O)OC,c1(c(ccc(/C=C/C)c1)O)OC,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+",BJIOGJUNALELMI-ONEGZZNKSA-N
BMGC_DG16047,BMG_DG203280,,COC(=O)[C@@H](Cc1ccccc1)N,,VSDUZFOSJDMAFZ-SECBINFHSA-N
BMGC_DG16048,BMG_DG203294,,,,
BMGC_DG16049,BMG_DG203331,C(C(C(C(C=O)O)O)O)O,,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2",PYMYPHUHKUWMLA-UHFFFAOYSA-N
BMGC_DG16050,BMG_DG203334,CN1[C@@H](CCC1=O)C2=CN=CC=C2,N1([C@@H](CCC1=O)c2cnccc2)C,"InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1",UIKROCXWUNQSPJ-VIFPVBQESA-N
BMGC_DG16051,BMG_DG203335,C1C[C@@H]2[C@H](C[C@H]1N2)C3=CN=C(C=C3)Cl,C1[C@@H]2[C@H](C[C@H](C1)N2)c3ccc(nc3)Cl,"InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1",NLPRAJRHRHZCQQ-IVZWLZJFSA-N
BMGC_DG16052,BMG_DG203337,C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3,[C@]\12(c3c([nH]c(cc3)=O)C[C@@H](/C1=C\C)C=C(C2)C)N,"InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1",ZRJBHWIHUMBLCN-YQEJDHNASA-N
BMGC_DG16053,BMG_DG203341,,C([C@@H](NC)C)c1cc2c(cc1)OCO2,,SHXWCVYOXRDMCX-QMMMGPOBSA-N
BMGC_DG16054,BMG_DG203342,,c1(c(cc(cc1O)C=O)Br)O,,GVSGSHGXUXLQNS-UHFFFAOYSA-N
BMGC_DG16055,BMG_DG203345,,c1(ccc(cc1)O)[C@@H](O)CNC,,YRCWQPVGYLYSOX-VIFPVBQESA-N
BMGC_DG16056,BMG_DG203371,CC1=CC[C@H](C[C@@H]1O)C(C)(C)O,C=1([C@H](C[C@H](C(C)(O)C)CC1)O)C,"InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3/t8-,9+/m1/s1",OMDMTHRBGUBUCO-BDAKNGLRSA-N
BMGC_DG16057,BMG_DG203378,,c1(c(c(Cc2c(c(C(=O)O)cc3c2cccc3)O)c4c(c1)cccc4)O)C(=O)O,,WLJNZVDCPSBLRP-UHFFFAOYSA-N
BMGC_DG16058,BMG_DG203379,,c1(c2c(c(cc1)O)C(c3c(C2=O)c(ccc3N)N)=O)O,,QVEMRPAUHFWHRV-UHFFFAOYSA-N
BMGC_DG16059,BMG_DG203384,C1CC1[C@H]2C3(CCS(=O)(=O)CC3)C4=C(N2S(=O)(=O)C5=CC=C(C=C5)F)C=CC(=C4)C(=O)NCC6=C(C=C(C=N6)C(F)(F)F)Cl,n1cc(cc(Cl)c1CNC(c2ccc3c(c2)C4([C@H](C5CC5)N3S(=O)(c6ccc(F)cc6)=O)CCS(CC4)(=O)=O)=O)C(F)(F)F,"InChI=1S/C29H26ClF4N3O5S2/c30-23-14-19(29(32,33)34)15-35-24(23)16-36-27(38)18-3-8-25-22(13-18)28(9-11-43(39,40)12-10-28)26(17-1-2-17)37(25)44(41,42)21-6-4-20(31)5-7-21/h3-8,13-15,17,26H,1-2,9-12,16H2,(H,36,38)/t26-/m0/s1",PZGSYNNVPNLHQG-SANMLTNESA-N
BMGC_DG16060,BMG_DG203402,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O,,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19-,20+/m0/s1",LOUPRKONTZGTKE-VOMFEXJBSA-N
BMGC_DG16061,BMG_DG203405,,C12(c3cc(Br)c(c(c3Oc4c(O)c(O)c(Br)cc14)O)O)OS(=O)(=O)c5ccccc52,,QFXYYBXMARTXHI-UHFFFAOYSA-N
BMGC_DG16062,BMG_DG203407,,Cn1nc2ccccc2n1,,PWORFEDVDWBHSJ-UHFFFAOYSA-N
BMGC_DG16063,BMG_DG203409,CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,c12c(c3ccccc3[nH]1)CCN4[C@@]2(C[C@@]5([C@@H]([C@@H](OC)[C@@H](C[C@]5([H])C4)OC(c6cc(OC)c(c(c6)OC)OC)=O)C(=O)OC)[H])[H],"InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1",CVBMAZKKCSYWQR-WCGOZPBSSA-N
BMGC_DG16064,BMG_DG203412,,C(=O)c1cc(c(cc1)Cl)[N+]([O-])=O,,HETBKLHJEWXWBM-UHFFFAOYSA-N
BMGC_DG16065,BMG_DG203441,COC(=O)C1=CC=CC=C1C(=O)OC,c1(c(C(=O)OC)cccc1)C(=O)OC,"InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3",NIQCNGHVCWTJSM-UHFFFAOYSA-N
BMGC_DG16066,BMG_DG203443,,S(c1ccc(cc1)CCNC(c2c(ccc(c2)Cl)OC)=O)(=O)(=O)N,,KVWWTCSJLGHLRM-UHFFFAOYSA-N
BMGC_DG16067,BMG_DG203452,CC1=C(C2=CC=CC=C2C(=C1)OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+],P([O-])([O-])(=O)Oc1c(cc(c2c1cccc2)OP([O-])([O-])=O)C.[Na+].[Na+].[Na+].[Na+],"InChI=1S/C11H12O8P2.4Na/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17;;;;/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4",GZBACHSOZNEZOG-UHFFFAOYSA-J
BMGC_DG16068,BMG_DG203488,C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC=C(C=C3)Cl,C(=O)(c1ccc(cc1)Cl)c2c3c(sc2N)CCCC3,"InChI=1S/C15H14ClNOS/c16-10-7-5-9(6-8-10)14(18)13-11-3-1-2-4-12(11)19-15(13)17/h5-8H,1-4,17H2",OTZVBZFYMFTYKH-UHFFFAOYSA-N
BMGC_DG16069,BMG_DG203551,CC1(C(=C)N(C2=CC=CC=C21)CCCCCC(=O)O)C,,"InChI=1S/C17H23NO2/c1-13-17(2,3)14-9-6-7-10-15(14)18(13)12-8-4-5-11-16(19)20/h6-7,9-10H,1,4-5,8,11-12H2,2-3H3,(H,19,20)",LVVRHAVPVOVPGG-UHFFFAOYSA-N
BMGC_DG16070,BMG_DG203564,COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O,C(c1c(cc(cc1)OC)O)(c2c(O)cccc2)=O,"InChI=1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3",MEZZCSHVIGVWFI-UHFFFAOYSA-N
BMGC_DG16071,BMG_DG203585,C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)O)O,c1(C(=O)c2ccccc2)c(cc(cc1)O)O,"InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H",ZXDDPOHVAMWLBH-UHFFFAOYSA-N
BMGC_DG16072,BMG_DG203648,C1=CC(=C(C=C1C(C(=O)O)O)O)O,O=C(O)C(O)c1cc(O)c(O)cc1,"InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)",RGHMISIYKIHAJW-UHFFFAOYSA-N
BMGC_DG16073,BMG_DG203692,,,,
BMGC_DG16074,BMG_DG203737,CC1=CC(=C(C=C1OC)CC(C)N)OC,c1(c(cc(C)c(c1)OC)OC)CC(C)N,"InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3",NTJQREUGJKIARY-UHFFFAOYSA-N
BMGC_DG16075,BMG_DG203779,C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O,c1(cc(-c2ccccc2)nc3c1cccc3)C(=O)O,"InChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19)",YTRMTPPVNRALON-UHFFFAOYSA-N
BMGC_DG16076,BMG_DG203783,C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3C(=O)O,C(Nc1c2c(cccc2)ccc1)(c3c(C(=O)O)cccc3)=O,"InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)",JXTHEWSKYLZVJC-UHFFFAOYSA-N
BMGC_DG16077,BMG_DG203824,C1=CC(=C(C(=C1)O)N)C(=O)O,c1(c(c(O)ccc1)N)C(=O)O,"InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)",WJXSWCUQABXPFS-UHFFFAOYSA-N
BMGC_DG16078,BMG_DG203831,,c12c(cc(O)cc1O)cccc2,,XOOMNEFVDUTJPP-UHFFFAOYSA-N
BMGC_DG16079,BMG_DG203836,,c12c(OC(CCCl)NC1=O)cccc2,,YEKMWXFHPZBZLR-UHFFFAOYSA-N
BMGC_DG16080,BMG_DG203876,C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)N)O,c1(C(Oc2ccccc2)=O)c(cc(cc1)N)O,"InChI=1S/C13H11NO3/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h1-8,15H,14H2",DNVVZWSVACQWJE-UHFFFAOYSA-N
BMGC_DG16081,BMG_DG203879,,c1(c(cc(cc1I)CC(C(=O)O)N)I)Oc2cc(I)c(cc2)O,,AUYYCJSJGJYCDS-UHFFFAOYSA-N
BMGC_DG16082,BMG_DG203881,CCN1CCC[C@H]1CNC(=O)C2=C(C(=CC(=C2)I)OC)OC,,"InChI=1S/C16H23IN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1",APNNSBJHVTUORL-LBPRGKRZSA-N
BMGC_DG16083,BMG_DG203894,CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl,c1(c(cc(cc1)N)Cl)C(=O)OCCN(CC)CC,"InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3",VDANGULDQQJODZ-UHFFFAOYSA-N
BMGC_DG16084,BMG_DG203932,C1=CC=C(C(=C1)C(=O)NCC(=O)O)I,c1(C(NCC(O)=O)=O)c(I)cccc1,"InChI=1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)",CORFWQGVBFFZHF-UHFFFAOYSA-N
BMGC_DG16085,BMG_DG203947,C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O,OC(CCCc1c2ccccc2[nH]c1)=O,"InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)",JTEDVYBZBROSJT-UHFFFAOYSA-N
BMGC_DG16086,BMG_DG204118,CC1=C(C=CC(=N1)C2=CN=C(N(C2=O)C)NC(C)C)OC3=CC(=NC=C3)C4=CN(N=C4)C,c1(n(c(c(cn1)-c2ccc(c(n2)C)Oc3cc(ncc3)-c4cnn(c4)C)=O)C)NC(C)C,"InChI=1S/C23H25N7O2/c1-14(2)27-23-25-12-18(22(31)30(23)5)19-6-7-21(15(3)28-19)32-17-8-9-24-20(10-17)16-11-26-29(4)13-16/h6-14H,1-5H3,(H,25,27)",TVGAHWWPABTBCX-UHFFFAOYSA-N
BMGC_DG16087,BMG_DG204122,COCCOCCOCC#CC1=C2C(=CC=C1)N=C(N(C2=O)CC3=CC=CC=C3C(F)(F)F)CN4C5=NC=NC(=C5C(=N4)C6=CC(=CC(=C6)F)O)N,FC(F)(F)c1c(Cn2c(nc3c(c2=O)c(ccc3)C#CCOCCOCCOC)Cn4nc(c5c4ncnc5N)-c6cc(O)cc(F)c6)cccc1,"InChI=1S/C36H31F4N7O5/c1-50-12-13-52-15-14-51-11-5-8-22-7-4-10-28-30(22)35(49)46(19-23-6-2-3-9-27(23)36(38,39)40)29(44-28)20-47-34-31(33(41)42-21-43-34)32(45-47)24-16-25(37)18-26(48)17-24/h2-4,6-7,9-10,16-18,21,48H,11-15,19-20H2,1H3,(H2,41,42,43)",JTACVHJPXOKMTI-UHFFFAOYSA-N
BMGC_DG16088,BMG_DG204123,CC(C)N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C5C(=O)NCC6(N5C4=N3)CCCCC6,O=C1c2n(C3(CN1)CCCCC3)c4c(c2)cnc(n4)Nc5ccc(cn5)N6CCN(CC6)C(C)C,"InChI=1S/C26H34N8O/c1-18(2)32-10-12-33(13-11-32)20-6-7-22(27-16-20)30-25-28-15-19-14-21-24(35)29-17-26(8-4-3-5-9-26)34(21)23(19)31-25/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,29,35)(H,27,28,30,31)",YPJRHEKCFKOVRT-UHFFFAOYSA-N
BMGC_DG16089,BMG_DG204125,,C1(CC1)(C(=O)Nc2ccc(cc2)Oc3ccnc4cc(c(cc34)OC)OC)C(=O)Nc5c(cc(cc5)F)O,,IMBCTWUTGHKFAD-UHFFFAOYSA-N
BMGC_DG16090,BMG_DG204130,,C1(CC1)(C(=O)Nc2ccc(cc2)Oc3ccnc4cc(c(cc34)O)OC)C(=O)Nc5ccc(cc5)F,,NHMICDOYSFGBAB-UHFFFAOYSA-N
BMGC_DG16091,BMG_DG204134,CN1CCN(CC1)C2=NN=C(C(=C2)C3=CC=NC=C3)C4=CC5=CC=CC=C5C=C4,CN1CCN(CC1)c2cc(c(nn2)-c3cc4c(cc3)cccc4)-c5ccncc5,"InChI=1S/C24H23N5/c1-28-12-14-29(15-13-28)23-17-22(19-8-10-25-11-9-19)24(27-26-23)21-7-6-18-4-2-3-5-20(18)16-21/h2-11,16-17H,12-15H2,1H3",CIIVUDIZZJLXCN-UHFFFAOYSA-N
BMGC_DG16092,BMG_DG204137,,Cc1n(-c2cc([C@@H](CN3C[C@H](CCC=4NC=5C(=CC4)CCCN5)CC3)CC(O)=O)ccc2)nc(C)c1,,ZMXBIIQMSGOIRZ-RCZVLFRGSA-N
BMGC_DG16093,BMG_DG204143,CC(C)(C1=CC=CC=C1)NC(=O)C2=NN(C3=CC=CC=C32)CCCCCF,c1cc2c(cc1)n(nc2C(=O)NC(c3ccccc3)(C)C)CCCCCF,"InChI=1S/C22H26FN3O/c1-22(2,17-11-5-3-6-12-17)24-21(27)20-18-13-7-8-14-19(18)26(25-20)16-10-4-9-15-23/h3,5-8,11-14H,4,9-10,15-16H2,1-2H3,(H,24,27)",XSHGVIPHMOTDCS-UHFFFAOYSA-N
BMGC_DG16094,BMG_DG204196,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]([C@@H](CO)O)[C@H]([C@@H](C(=O)[O-])O)O)CO)CO)O)O)O)O.O.[OH-].[O-2].[Fe+3],,"InChI=1S/C24H42O22.Fe.2H2O.O/c25-1-5(29)18(11(32)14(35)21(39)40)44-23-16(37)12(33)20(7(3-27)42-23)46-24-17(38)13(34)19(8(4-28)43-24)45-22-15(36)10(31)9(30)6(2-26)41-22;;;;/h5-20,22-38H,1-4H2,(H,39,40);;2*1H2;/q;+3;;;-2/p-2/t5-,6-,7-,8-,9-,10+,11+,12-,13-,14+,15-,16-,17-,18+,19-,20-,22-,23-,24-;;;;/m1..../s1",MFBBZTDYOYZJGB-HAONTEFVSA-L
BMGC_DG16095,BMG_DG204328,COCCOC(=O)NCCCCC(C(=O)NCCCCCCOP(=O)(O)O)NC(=O)OCCOC,,"InChI=1S/C20H40N3O11P/c1-30-13-15-32-19(25)22-11-7-5-9-17(23-20(26)33-16-14-31-2)18(24)21-10-6-3-4-8-12-34-35(27,28)29/h17H,3-16H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)(H2,27,28,29)",QGVYYLZOAMMKAH-UHFFFAOYSA-N
BMGC_DG16096,BMG_DG204348,COCCOC(=O)NCCCCC(CCN1CCC[C@H]1C(=O)O)NC(=O)OCCOC,,"InChI=1S/C20H37N3O8/c1-28-12-14-30-19(26)21-9-4-3-6-16(22-20(27)31-15-13-29-2)8-11-23-10-5-7-17(23)18(24)25/h16-17H,3-15H2,1-2H3,(H,21,26)(H,22,27)(H,24,25)/t16?,17-/m0/s1",LICFWYDUJZDCLK-DJNXLDHESA-N
BMGC_DG16097,BMG_DG204349,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O)O)O)O)O)O)O.[Fe+3],,"InChI=1S/C18H34O16.Fe/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18;/h5-30H,1-4H2;/q;+3/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17-,18-;/m0./s1",JTQTXQSGPZRXJF-DOJSGGEQSA-N
BMGC_DG16098,BMG_DG204359,CC1=CC(=NC(=N1)N2C[C@@H]3CN(C[C@@H]3C2)C(=O)C4=C(C=CC=C4F)N5N=CC=N5)C,C(=O)(c1c(cccc1F)-n2nccn2)N3C[C@]4([C@@](C3)(CN(C4)c5nc(C)cc(n5)C)[H])[H],"InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+",SQOCEMCKYDVLMM-IYBDPMFKSA-N
BMGC_DG16099,BMG_DG204362,COCCOCCCCCC(=O)NCCCC[C@@H](C(=O)O)N,,"InChI=1S/C15H30N2O5/c1-21-11-12-22-10-6-2-3-8-14(18)17-9-5-4-7-13(16)15(19)20/h13H,2-12,16H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1",NPOCDVAOUKODSQ-ZDUSSCGKSA-N
BMGC_DG16100,BMG_DG204372,CC(=O)OC[C@H](COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)OC(=O)C)OC(=O)C,c1cc(ccc1OC[C@@H](COC(C)=O)OC(C)=O)C(c2ccc(cc2)OC[C@@H](CCl)OC(C)=O)(C)C,"InChI=1S/C27H33ClO8/c1-18(29)32-16-26(36-20(3)31)17-34-24-12-8-22(9-13-24)27(4,5)21-6-10-23(11-7-21)33-15-25(14-28)35-19(2)30/h6-13,25-26H,14-17H2,1-5H3/t25-,26-/m1/s1",HGHVYYKTOXUQNT-CLJLJLNGSA-N
BMGC_DG16101,BMG_DG204405,C1CN(/C(=N/[N+](=O)[O-])/N1)CC2=CN=C(C=C2)Cl,,"InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)",YWTYJOPNNQFBPC-UHFFFAOYSA-N
BMGC_DG16102,BMG_DG204414,C[C@@H]1CC2=C([C@H](N1CC(C)(C)F)C3=C(C=C(C=C3F)/C=C/C(=O)O)F)NC4=CC=CC=C24,C[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c4c(F)cc(/C=C/C(=O)O)cc4F)N1CC(F)(C)C,"InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1",DFBDRVGWBHBJNR-BBNFHIFMSA-N
BMGC_DG16103,BMG_DG204754,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,O[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)O[C@H]1n3ccc(=O)[nH]c3=O,"InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1",HSCJRCZFDFQWRP-JZMIEXBBSA-N
BMGC_DG16104,BMG_DG204831,C[C@H]1C2=CC=CC(=C2C[C@@H](N1C(=O)CC3=C(C=CC=C3Cl)Cl)CO)CCC(C)(C)O,C(Cc1c(cccc1Cl)Cl)(N2[C@H](c3cccc(c3C[C@@H]2CO)CCC(C)(C)O)C)=O,"InChI=1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1",XHCSBQBBGNQINS-DOTOQJQBSA-N
BMGC_DG16105,BMG_DG204833,CC[C@@H](C1=C(C(=O)C2=CC=CC=C2O1)C3=CC(=CC=C3)F)NC4=NC=NC5=C4NC=N5,c1cc2c(cc1)oc(c(c2=O)-c3cc(ccc3)F)[C@H](CC)Nc4c5c(ncn4)[nH]cn5,"InChI=1S/C23H18FN5O2/c1-2-16(29-23-19-22(26-11-25-19)27-12-28-23)21-18(13-6-5-7-14(24)10-13)20(30)15-8-3-4-9-17(15)31-21/h3-12,16H,2H2,1H3,(H2,25,26,27,28,29)/t16-/m0/s1",HDXDQPRPFRKGKZ-INIZCTEOSA-N
BMGC_DG16106,BMG_DG204834,CC1=CC(=C(C(=O)N1C2=CC(=NC=C2C)C3=NC(=NC=C3)C(C)(C)O)Cl)OCC4=C(C=C(C=N4)F)F,C(c1ncc(cc1F)F)Oc2c(c(n(c(c2)C)-c3cc(-c4nc(C(O)(C)C)ncc4)ncc3C)=O)Cl,"InChI=1S/C25H22ClF2N5O3/c1-13-10-30-18(17-5-6-29-24(32-17)25(3,4)35)9-20(13)33-14(2)7-21(22(26)23(33)34)36-12-19-16(28)8-15(27)11-31-19/h5-11,35H,12H2,1-4H3",FQPQMJULRZINPV-UHFFFAOYSA-N
BMGC_DG16107,BMG_DG204840,COC1=NN=C(C=C1)[C@H](C2=C(C=C(C(=C2)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F)Cl)O,c1cc2c(cc1N3CCOCC3)ncnc2-c4cc(c(cc4F)Cl)[C@@H](c5nnc(cc5)OC)O,"InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1",MOWXJLUYGFNTAL-DEOSSOPVSA-N
BMGC_DG16108,BMG_DG204843,CC1=C(N=CC=C1)OCC(C)(C)NC(=O)C2[C@H]3[C@@H]2CNC3,,"InChI=1S/C16H23N3O2/c1-10-5-4-6-18-15(10)21-9-16(2,3)19-14(20)13-11-7-17-8-12(11)13/h4-6,11-13,17H,7-9H2,1-3H3,(H,19,20)/t11-,12+,13?",PCINBSQTEDBZDB-FUNVUKJBSA-N
BMGC_DG16109,BMG_DG204844,C[C@]1(CC[C@H]2[C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CN5C=C(C=N5)C#N)C)O,C[C@@]12[C@@H](C(=O)Cn3ncc(C#N)c3)CC[C@@]1([H])[C@]4([H])CC[C@]5([H])C[C@@](O)(C)CC[C@]5([H])[C@@]4([H])CC2,"InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1",HARRKNSQXBRBGZ-GVKWWOCJSA-N
BMGC_DG16110,BMG_DG204845,C1CC(C1)(C(=O)O)SC2=C3C=C(C=CC3=NC=C2)Br,C1CCC1(Sc2ccnc3c2cc(cc3)Br)C(=O)O,"InChI=1S/C14H12BrNO2S/c15-9-2-3-11-10(8-9)12(4-7-16-11)19-14(13(17)18)5-1-6-14/h2-4,7-8H,1,5-6H2,(H,17,18)",QGBWIYLNOBYNDL-UHFFFAOYSA-N
BMGC_DG16111,BMG_DG204857,,[C@H](NP(OCCC[C@H](NC(CC[C@H](NC(CCCCCN)=O)C(O)=O)=O)C(O)=O)(=O)O)(CCC(O)=O)C(O)=O,,OZFJRKAKSNINHF-KKUMJFAQSA-N
BMGC_DG16112,BMG_DG204861,C1CN(CC1(F)F)C2=NC(=CC(=N2)N3C[C@@H]4C[C@H]3CO4)C5=CC(=C(N=C5)N)OC(F)F,c1c(nc(nc1N2C[C@H]3OC[C@@H]2C3)N4CC(CC4)(F)F)-c5cnc(c(c5)OC(F)F)N,"InChI=1S/C19H20F4N6O2/c20-17(21)31-14-3-10(6-25-16(14)24)13-5-15(29-7-12-4-11(29)8-30-12)27-18(26-13)28-2-1-19(22,23)9-28/h3,5-6,11-12,17H,1-2,4,7-9H2,(H2,24,25)/t11-,12-/m0/s1",SKMKJBYBPYBDMN-RYUDHWBXSA-N
BMGC_DG16113,BMG_DG204869,CCOC(=O)C[N+]1(CC[C@H](C1)OC(=O)[C@@](C2CCCC2)(C3=CC=CC=C3)O)C.[Br-],[C@@](C(O[C@H]1C[N+](CC1)(CC(OCC)=O)C)=O)(O)(C2CCCC2)c3ccccc3.[Br-],"InChI=1S/C22H32NO5.BrH/c1-3-27-20(24)16-23(2)14-13-19(15-23)28-21(25)22(26,18-11-7-8-12-18)17-9-5-4-6-10-17;/h4-6,9-10,18-19,26H,3,7-8,11-16H2,1-2H3;1H/q+1;/p-1/t19-,22+,23?;/m1./s1",FIAFMTCUJCWADZ-JOFREBOKSA-M
BMGC_DG16114,BMG_DG204871,C[C@H](C1CC1)C2=CC=CC(=C2O)C(C)C,[C@H](c1c(O)c(ccc1)C(C)C)(C2CC2)C,"InChI=1S/C14H20O/c1-9(2)12-5-4-6-13(14(12)15)10(3)11-7-8-11/h4-6,9-11,15H,7-8H2,1-3H3/t10-/m1/s1",BMEARIQHWSVDBS-SNVBAGLBSA-N
BMGC_DG16115,BMG_DG204873,CN1C=C(C=N1)C2=CN3C(=NN=C3SC4=CC5=C6C(=CN=C5C=C4)N(C(=O)CO6)C)C(=C2)F,S(c1cc2c3c(cnc2cc1)N(C)C(=O)CO3)c4n5c(nn4)c(F)cc(c5)-c6cn(C)nc6,"InChI=1S/C22H16FN7O2S/c1-28-9-13(7-25-28)12-5-16(23)21-26-27-22(30(21)10-12)33-14-3-4-17-15(6-14)20-18(8-24-17)29(2)19(31)11-32-20/h3-10H,11H2,1-2H3",MFEXYTURXUZOID-UHFFFAOYSA-N
BMGC_DG16116,BMG_DG204878,C[C@H](CC[C@@](C)(C(F)(F)F)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@](C4)(C)O)C)C,[C@]1([H])(CC[C@@]2([H])[C@]3([H])CC=C4C[C@](C)(CC[C@]4(C)[C@@]3([H])CC[C@]12C)O)[C@@H](CC[C@](C(F)(F)F)(C)O)C,"InChI=1S/C27H43F3O2/c1-17(10-13-26(5,32)27(28,29)30)20-8-9-21-19-7-6-18-16-23(2,31)14-15-24(18,3)22(19)11-12-25(20,21)4/h6,17,19-22,31-32H,7-16H2,1-5H3/t17-,19+,20-,21+,22+,23+,24+,25-,26+/m1/s1",BVBRUQYHUXKZMQ-JNVAYQLDSA-N
BMGC_DG16117,BMG_DG204887,,C[C@]12C([C@]3(C[C@@]4([C@@]1(CC[C@@]5(C)[C@]4(CCC5=O)[H])[H])[H])CO3)=CC(=O)C=C2,,GFNJDRLFFJDJAC-FLVPGIQOSA-N
BMGC_DG16118,BMG_DG204906,,c1(c(c(I)cc(c1)I)O)C(=O)O,,DHZVWQPHNWDCFS-UHFFFAOYSA-N
BMGC_DG16119,BMG_DG204941,CC[C@H](C)[C@H]1C(=O)O[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C[C@H]2CN=C(N2)N)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC3=CC=CC=C3)NC)C,CC[C@H](C)[C@@H](C(N[C@@H](CO)C(N[C@H](CCC(N)=O)C(N[C@H]([C@@H](C)CC)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CO)C(N[C@@H]1[C@H](C)OC([C@]([C@@H](C)CC)(NC([C@H](C[C@H]2CNC(=N)N2)NC([C@H](C)NC1=O)=O)=O)[H])=O)=O)=O)=O)=O)=O)=O)NC([C@@H](Cc3ccccc3)NC)=O,"InChI=1S/C58H95N15O15/c1-12-28(5)42(70-49(79)37(61-11)23-34-19-17-16-18-20-34)53(83)67-39(26-74)51(81)65-36(21-22-41(59)76)48(78)69-44(30(7)14-3)55(85)71-43(29(6)13-2)54(84)68-40(27-75)52(82)73-46-33(10)88-57(87)45(31(8)15-4)72-50(80)38(24-35-25-62-58(60)64-35)66-47(77)32(9)63-56(46)86/h16-20,28-33,35-40,42-46,61,74-75H,12-15,21-27H2,1-11H3,(H2,59,76)(H,63,86)(H,65,81)(H,66,77)(H,67,83)(H,68,84)(H,69,78)(H,70,79)(H,71,85)(H,72,80)(H,73,82)(H3,60,62,64)/t28-,29-,30-,31-,32-,33-,35-,36+,37+,38-,39-,40-,42-,43-,44+,45-,46+/m0/s1",LMBFAGIMSUYTBN-MPZNNTNKSA-N
BMGC_DG16120,BMG_DG204944,,CCCn1c(=O)n(C)c(=O)c2[nH]cnc12,,MCPROACZLSAAPY-UHFFFAOYSA-N
BMGC_DG16121,BMG_DG204951,,c1c(cc(nc1)CNCC(N(CCN(C)C)CC)=O)C(O)=O,,RGGMVQDDHDCRDM-UHFFFAOYSA-N
BMGC_DG16122,BMG_DG204961,CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)NS(=O)(=O)C)Cl)Cl,Clc1cc(Cl)c(NS(=O)(=O)C)cc1-n2nc(C)n(C(F)F)c2=O,"InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,1-2H3",OORLZFUTLGXMEF-UHFFFAOYSA-N
BMGC_DG16123,BMG_DG204976,C1CSSC1CCCCC(=O)O,S1SCCC1CCCCC(=O)O,"InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)",AGBQKNBQESQNJD-UHFFFAOYSA-N
BMGC_DG16124,BMG_DG204977,C1=CC=C2C(=C1)C=CC=C2N,c12c(N)cccc1cccc2,"InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2",RUFPHBVGCFYCNW-UHFFFAOYSA-N
BMGC_DG16125,BMG_DG204983,C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl,N(C=1N(Cc2cnc(cc2)Cl)CCN1)[N+]([O-])=O,"InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)",YWTYJOPNNQFBPC-UHFFFAOYSA-N
BMGC_DG16126,BMG_DG204984,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O,O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n2cc(F)c(=O)[nH]c2=O,"InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1",HFEKDTCAMMOLQP-RRKCRQDMSA-N
BMGC_DG16127,BMG_DG204994,,,,
BMGC_DG16128,BMG_DG204999,CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)C)C,c12c(c(C)c(c(c1C)C)OC(=O)C)CC[C@](O2)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C,"InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1",ZAKOWWREFLAJOT-CEFNRUSXSA-N
BMGC_DG16129,BMG_DG205002,,C1(NC(=O)CC[C@@]1(c2ccc(cc2)N)CC)=O,,ROBVIMPUHSLWNV-CYBMUJFWSA-N
BMGC_DG16130,BMG_DG205004,C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2,C(c1ccccc1)(=O)C(c2ccccc2)=O,InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H,WURBFLDFSFBTLW-UHFFFAOYSA-N
BMGC_DG16131,BMG_DG205020,COC1=CC(=C(C=C1C=C)C(=O)NC2=CC=C(C=C2)C(=N)N)C3=C(N=C(C=C3)C(=O)NCC4CC4)C(=O)O,C(c1cc(C=C)c(OC)cc1-c2ccc(C(=O)NCC3CC3)nc2C(=O)O)(=O)Nc4ccc(C(N)=N)cc4,"InChI=1S/C28H27N5O5/c1-3-16-12-21(26(34)32-18-8-6-17(7-9-18)25(29)30)20(13-23(16)38-2)19-10-11-22(33-24(19)28(36)37)27(35)31-14-15-4-5-15/h3,6-13,15H,1,4-5,14H2,2H3,(H3,29,30)(H,31,35)(H,32,34)(H,36,37)",TUWMKPVJGGWGNL-UHFFFAOYSA-N
BMGC_DG16132,BMG_DG205024,C[C@H]1CN(CCN1C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO)C8COC8,n12CCN(C(c1cc3c2CC(C3)(C)C)=O)c4c(c(ccn4)-c5cc(c(n(c5)C)=O)Nc6ncc(cc6)N7CCN(C[C@@H]7C)C8COC8)CO,"InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1",WNEODWDFDXWOLU-QHCPKHFHSA-N
BMGC_DG16133,BMG_DG205043,CC1=C(C=CC=C1N2C(=O)C3=C(C(=CC=C3)F)N(C2=O)C)C4=C(C=C(C5=C4C6=C(N5)C[C@H](CC6)C(C)(C)O)C(=O)N)F,n1(c(c2c(n(c1=O)C)c(ccc2)F)=O)-c3cccc(c3C)-c4c5c(c(cc4F)C(=O)N)[nH]c6c5CC[C@@H](C6)C(O)(C)C,"InChI=1S/C32H30F2N4O4/c1-15-17(7-6-10-24(15)38-30(40)19-8-5-9-21(33)28(19)37(4)31(38)41)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-23(18)36-27/h5-10,14,16,36,42H,11-13H2,1-4H3,(H2,35,39)/t16-/m0/s1",ZRYMMWAJAFUANM-INIZCTEOSA-N
BMGC_DG16134,BMG_DG205142,C1=CC=C2C=C(C=CC2=C1)O,c12cc(O)ccc1cccc2,"InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H",JWAZRIHNYRIHIV-UHFFFAOYSA-N
BMGC_DG16135,BMG_DG205158,C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4,,"InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29?/m1/s1",OHUHVTCQTUDPIJ-RNHBAAACSA-N
BMGC_DG16136,BMG_DG205161,,C(=O)(NS(=O)(c1cc(c(cc1)N[C@H](CCN(C)CCO)CSc2ccccc2)S(=O)(=O)C(F)(F)F)=O)c3ccc(N4CCC(CC4)[C@H](c5c(cccc5)-c6ccc(Cl)cc6)O)cc3,,UNEJSHNDABUZNY-UJNHCCGESA-N
BMGC_DG16137,BMG_DG205166,,N(c1ncccc1)(Cc2sccc2)CCN(C)C.Cl,,BONORRGKLJBGRV-UHFFFAOYSA-N
BMGC_DG16138,BMG_DG205172,CC1=CC(=CC(=N1)Cl)C2=C(N=C(N=N2)N)C3=CC=C(C=C3)F,c1(nnc(nc1-c2ccc(cc2)F)N)-c3cc(nc(c3)Cl)C,"InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)",NCWQLHHDGDXIJN-UHFFFAOYSA-N
BMGC_DG16139,BMG_DG205175,CCOC1=C(C(=C(C=C1[C@H](C)N2C3=NC=NC(=C3C(=N2)C)N)Cl)F)[C@H]4CC(=O)NC4,n1(nc(c2c1ncnc2N)C)[C@H](c3cc(c(c(c3OCC)[C@@H]4CNC(C4)=O)F)Cl)C,"InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11-/m0/s1",ZQPDJCIXJHUERQ-QWRGUYRKSA-N
BMGC_DG16140,BMG_DG205205,C(C(=O)O)C(=O)O,C(C(=O)O)C(=O)O,"InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)",OFOBLEOULBTSOW-UHFFFAOYSA-N
BMGC_DG16141,BMG_DG205210,CCN1C2=C3C=C(NC3=NC=C2CN(C1=O)C4=C(C(=CC(=C4F)OC)OC)F)CN5CCOCC5,c1c(c(c(c(c1OC)F)N2C(N(c3c(C2)cnc4c3cc([nH]4)CN5CCOCC5)CC)=O)F)OC,"InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)",HCDMJFOHIXMBOV-UHFFFAOYSA-N
BMGC_DG16142,BMG_DG205213,C[C@H](CS(=O)(=O)C)N1C=CC2=C1C=CC(=C2C(F)(F)F)C#N,n1(ccc2c(c(ccc12)C#N)C(F)(F)F)[C@@H](CS(=O)(=O)C)C,"InChI=1S/C14H13F3N2O2S/c1-9(8-22(2,20)21)19-6-5-11-12(19)4-3-10(7-18)13(11)14(15,16)17/h3-6,9H,8H2,1-2H3/t9-/m1/s1",SKDVMPZQJMZEAC-SECBINFHSA-N
BMGC_DG16143,BMG_DG205227,C=CC(=O)N1CCC(CC1)(CNC2=NC=NC(=C2C3=CC=C(C=C3)OC4=CC=CC=C4)N)F,,"InChI=1S/C25H26FN5O2/c1-2-21(32)31-14-12-25(26,13-15-31)16-28-24-22(23(27)29-17-30-24)18-8-10-20(11-9-18)33-19-6-4-3-5-7-19/h2-11,17H,1,12-16H2,(H3,27,28,29,30)",OXOXFDSEGFLWLU-UHFFFAOYSA-N
BMGC_DG16144,BMG_DG205257,C1CC1[C@@H](C2=NC3=C(C=CC(=C3C(=O)N2C4=CN=CC=C4)Cl)F)NC5=NC(=NC(=C5C#N)N)N,c1cc(F)c2nc([C@H](C3CC3)Nc4c(C#N)c(N)nc(N)n4)n(-c5cnccc5)c(=O)c2c1Cl,"InChI=1S/C22H17ClFN9O/c23-13-5-6-14(24)17-15(13)21(34)33(11-2-1-7-28-9-11)20(30-17)16(10-3-4-10)29-19-12(8-25)18(26)31-22(27)32-19/h1-2,5-7,9-10,16H,3-4H2,(H5,26,27,29,31,32)/t16-/m0/s1",XDSXYMOZKDUASY-INIZCTEOSA-N
BMGC_DG16145,BMG_DG205301,,c1(N/N=N/c2ccccc2)ccccc1,,ALIFPGGMJDWMJH-UHFFFAOYSA-N
BMGC_DG16146,BMG_DG205313,,N1(C(C=CC1=O)=O)c2ccc(C(=O)O)cc2,,LKUOJDGRNKVVFF-UHFFFAOYSA-N
BMGC_DG16147,BMG_DG205325,,C(C(=O)CCCCC(O)=O)(O)=O,,HABHUTWTLGRDDU-UHFFFAOYSA-N
BMGC_DG16148,BMG_DG205337,,C(=O)(Cc1ccc(cc1)O)N,,YBPAYPRLUDCSEY-UHFFFAOYSA-N
BMGC_DG16149,BMG_DG205355,,NS(=O)(=O)c1cccc2c(O)cccc12,,NFVBVKHGDDDCEA-UHFFFAOYSA-N
BMGC_DG16150,BMG_DG205364,,ClCC(=O)Nc1ccc(cc1)S(c2ccc(cc2)NC(CCl)=O)(=O)=O,,SHRCVZJKZJGIHQ-UHFFFAOYSA-N
BMGC_DG16151,BMG_DG205365,CC1=C([C@@H](OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CC(C4)CF)C5=CC(=CC=C5)O,c1(cc2c(cc1)O[C@H](C(=C2C)c3cccc(c3)O)c4ccc(cc4)OCCN5CC(C5)CF)O,"InChI=1S/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3/t28-/m0/s1",KJAAPZIFCQQQKX-NDEPHWFRSA-N
BMGC_DG16152,BMG_DG205367,CN1C=C(C=N1)NC2=NC(=NC(=N2)N)C3=C(C(=CC=C3)N4C=CC5=CC(=CC(=C5C4=O)F)C6CC6)CO,C(O)c1c(cccc1-c2nc(Nc3cn(C)nc3)nc(N)n2)-n4c(=O)c5c(cc4)cc(cc5F)C6CC6,"InChI=1S/C26H23FN8O2/c1-34-12-17(11-29-34)30-26-32-23(31-25(28)33-26)18-3-2-4-21(19(18)13-36)35-8-7-15-9-16(14-5-6-14)10-20(27)22(15)24(35)37/h2-4,7-12,14,36H,5-6,13H2,1H3,(H3,28,30,31,32,33)",RQYDQAPLARKISN-UHFFFAOYSA-N
BMGC_DG16153,BMG_DG205373,C1=CC=C2C(=C1)N=C(S2)N,c12c(sc(n1)N)cccc2,"InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)",UHGULLIUJBCTEF-UHFFFAOYSA-N
BMGC_DG16154,BMG_DG205421,,c12c([nH]cc1)ccc(c2)Cl,,MYTGFBZJLDLWQG-UHFFFAOYSA-N
BMGC_DG16155,BMG_DG205423,,c12[nH]ccc1ccc(c2)Cl,,YTYIMDRWPTUAHP-UHFFFAOYSA-N
BMGC_DG16156,BMG_DG205424,,c1(c(c2ccccc2oc1)=O)C=O,,FSMYWBQIMDSGQP-UHFFFAOYSA-N
BMGC_DG16157,BMG_DG205456,,O=S(=O)(c1ccc2[nH]c(=N)sc2c1)C,,ZYHNHJAMVNINSY-UHFFFAOYSA-N
BMGC_DG16158,BMG_DG205491,C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O,,"InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2",DLRVVLDZNNYCBX-UHFFFAOYSA-N
BMGC_DG16159,BMG_DG205564,C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@H](C(=O)O)N,c1(c(cc(cc1I)C[C@H](C(=O)O)N)I)Oc2cc(I)c(c(c2)I)O,"InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1",XUIIKFGFIJCVMT-GFCCVEGCSA-N
BMGC_DG16160,BMG_DG205617,,COc1ccc2c(c1)c3CCNC(=O)c3[nH]2,,PWARHDUWOJUADN-UHFFFAOYSA-N
BMGC_DG16161,BMG_DG205630,,S(c1ccc(C(=O)O)cc1)(=O)(=O)N,,UCAGLBKTLXCODC-UHFFFAOYSA-N
BMGC_DG16162,BMG_DG205647,,CN(C)CCCC1(c2ccccc2C=Cc3ccccc31)O,,VMLRQKQUOMJJAN-UHFFFAOYSA-N
BMGC_DG16163,BMG_DG205653,,c1(nn[nH]n1)-c2ccccc2,,MARUHZGHZWCEQU-UHFFFAOYSA-N
BMGC_DG16164,BMG_DG205655,,c1([nH]c(cc(c1)=O)C(O)=O)C(O)=O,,XTLJJHGQACAZMS-UHFFFAOYSA-N
BMGC_DG16165,BMG_DG205677,CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC6=CNC=N6)N,,"InChI=1S/C152H232N40O45/c1-20-78(10)119(145(233)168-81(13)125(213)174-105(63-87-66-162-92-39-28-27-38-90(87)92)134(222)176-101(59-75(4)5)135(223)187-117(76(6)7)143(231)173-95(41-30-32-56-154)142(230)192-152(18,19)148(236)184-93(122(157)210)42-33-57-161-150(158)159)189-136(224)103(60-84-34-23-21-24-35-84)177-131(219)99(50-54-115(206)207)172-130(218)94(40-29-31-55-153)170-124(212)80(12)166-123(211)79(11)167-129(217)98(47-51-110(156)199)169-111(200)68-163-127(215)96(48-52-113(202)203)171-132(220)100(58-74(2)3)175-133(221)102(62-86-43-45-89(198)46-44-86)178-139(227)107(70-193)181-141(229)109(72-195)182-144(232)118(77(8)9)188-138(226)106(65-116(208)209)179-140(228)108(71-194)183-147(235)121(83(15)197)190-137(225)104(61-85-36-25-22-26-37-85)180-146(234)120(82(14)196)186-112(201)69-164-128(216)97(49-53-114(204)205)185-149(237)151(16,17)191-126(214)91(155)64-88-67-160-73-165-88/h21-28,34-39,43-46,66-67,73-83,91,93-109,117-121,162,193-198H,20,29-33,40-42,47-65,68-72,153-155H2,1-19H3,(H2,156,199)(H2,157,210)(H,160,165)(H,163,215)(H,164,216)(H,166,211)(H,167,217)(H,168,233)(H,169,200)(H,170,212)(H,171,220)(H,172,218)(H,173,231)(H,174,213)(H,175,221)(H,176,222)(H,177,219)(H,178,227)(H,179,228)(H,180,234)(H,181,229)(H,182,232)(H,183,235)(H,184,236)(H,185,237)(H,186,201)(H,187,223)(H,188,226)(H,189,224)(H,190,225)(H,191,214)(H,192,230)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H4,158,159,161)/t78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,117-,118-,119-,120-,121-/m0/s1",WRGVLTAWMNZWGT-VQSPYGJZSA-N
BMGC_DG16166,BMG_DG205692,,,,
BMGC_DG16167,BMG_DG205713,,c1ccc(C(=O)OCCCCCC)c(c1)N,,YMQOKTHPONOAKK-UHFFFAOYSA-N
BMGC_DG16168,BMG_DG205722,,c1ccc2cc(C(=O)Nc3ccc(cc3)Cl)c(cc2c1)OP(=O)(O)O,,RQAQWBFHPMSXKR-UHFFFAOYSA-N
BMGC_DG16169,BMG_DG205734,CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1,c1(ccccc1)C[N+](C)(C)CCCCCCCCCCCC,"InChI=1S/C21H38N/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19-20H2,1-3H3/q+1",CYDRXTMLKJDRQH-UHFFFAOYSA-N
BMGC_DG16170,BMG_DG205747,CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1,CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1S/C23H42N/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1",WNBGYVXHFTYOBY-UHFFFAOYSA-N
BMGC_DG16171,BMG_DG205748,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Al+3],CC([O-])=O.[Al+3].CC([O-])=O.CC([O-])=O,"InChI=1S/3C2H4O2.Al/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",WCOATMADISNSBV-UHFFFAOYSA-K
BMGC_DG16172,BMG_DG205752,C(C(=O)O)N(CC(=O)O)CC(=O)O,C(C(=O)O)N(CC(=O)O)CC(=O)O,"InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)",MGFYIUFZLHCRTH-UHFFFAOYSA-N
BMGC_DG16173,BMG_DG205757,C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na+].[Na+],N(CC(O)=O)(CCN(CC(=O)O)CC([O-])=O)CC(=O)[O-].[Na+].[Na+],"InChI=1S/C10H16N2O8.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+1/p-2",ZGTMUACCHSMWAC-UHFFFAOYSA-L
BMGC_DG16174,BMG_DG205763,CSCCC(C(=O)O)N,C(O)(C(N)CCSC)=O,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",FFEARJCKVFRZRR-UHFFFAOYSA-N
BMGC_DG16175,BMG_DG205770,C[C@H]([C@@H](CC1=CN=C(C=C1)N)C(=O)O)S,C[C@@H](S)[C@@H](Cc1ccc(nc1)N)C(O)=O,"InChI=1S/C10H14N2O2S/c1-6(15)8(10(13)14)4-7-2-3-9(11)12-5-7/h2-3,5-6,8,15H,4H2,1H3,(H2,11,12)(H,13,14)/t6-,8-/m1/s1",GYIYAOUGKJSCCG-HTRCEHHLSA-N
BMGC_DG16176,BMG_DG205771,C(CO)N(CCO)CC(=O)O,N(CC(O)=O)(CCO)CCO,"InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)",FSVCELGFZIQNCK-UHFFFAOYSA-N
BMGC_DG16177,BMG_DG205793,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,n1([C@H]2[C@H](O)[C@H](OP(=O)(O)O)[C@@H](COP(OP(OCC([C@H](C(=O)NCCC(=O)NCCS)O)(C)C)(=O)O)(=O)O)O2)c3c(c(N)ncn3)nc1,"InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1",RGJOEKWQDUBAIZ-IBOSZNHHSA-N
BMGC_DG16178,BMG_DG205802,C1=CSC(=N1)CCN,,"InChI=1S/C5H8N2S/c6-2-1-5-7-3-4-8-5/h3-4H,1-2,6H2",TWZOYAWHWDRMEZ-UHFFFAOYSA-N
BMGC_DG16179,BMG_DG205816,C1=CC(=C(C=C1C=O)O)O,c1cc(c(cc1C=O)O)O,"InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H",IBGBGRVKPALMCQ-UHFFFAOYSA-N
BMGC_DG16180,BMG_DG205839,CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)O,S(O)(OC(CC(C)C)CCC(CC)CCCC)(=O)=O,"InChI=1S/C14H30O4S/c1-5-7-8-13(6-2)9-10-14(11-12(3)4)18-19(15,16)17/h12-14H,5-11H2,1-4H3,(H,15,16,17)",GROJOWHVXQYQGN-UHFFFAOYSA-N
BMGC_DG16181,BMG_DG205851,,CC(C)C[C@H](C(=O)NCC(=O)NCC(=O)O)N,,VWHGTYCRDRBSFI-SSDOTTSWSA-N
BMGC_DG16182,BMG_DG205855,,CCC(C)(C)c1ccc(OCCCCNC(=O)c2c(O)c3ccccc3c(Oc4ccc(cc4)[N+]([O-])=O)c2)c(c1)C(C)(C)CC,,ZSDDKJNSRHOOHU-UHFFFAOYSA-N
BMGC_DG16183,BMG_DG205866,,c1ccc(c(c1)CC(=O)O)Br,,DWXSYDKEWORWBT-UHFFFAOYSA-N
BMGC_DG16184,BMG_DG205883,CCCCCCCCCCCCOS(=O)(=O)O,S(=O)(=O)(O)OCCCCCCCCCCCC,"InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)",MOTZDAYCYVMXPC-UHFFFAOYSA-N
BMGC_DG16185,BMG_DG205893,CS,CS,"InChI=1S/CH4S/c1-2/h2H,1H3",LSDPWZHWYPCBBB-UHFFFAOYSA-N
BMGC_DG16186,BMG_DG205929,,C(=N)(SCCCC)N,,BPMPPVUBRPXMNX-UHFFFAOYSA-N
BMGC_DG16187,BMG_DG205930,[H+].[H+].C([C@@H](C(=O)[O-])N)C(=O)[O-].C([C@@H](C(=O)[O-])N)C(=O)[O-].[Mg+2],[Mg+2].[H+].[O-]C(C[C@@H](C([O-])=O)N)=O.[H+].[O-]C(=O)C[C@H](N)C(=O)[O-],"InChI=1S/2C4H7NO4.Mg/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*2-;/m00./s1",RXMQCXCANMAVIO-CEOVSRFSSA-L
BMGC_DG16188,BMG_DG205933,,C(=O)(OCc1ccccc1)CCC(=O)O,,UGUBQKZSNQWWEV-UHFFFAOYSA-N
BMGC_DG16189,BMG_DG205948,,c1(cn(C)c2c1cccc2)C=O,,KXYBYRKRRGSZCX-UHFFFAOYSA-N
BMGC_DG16190,BMG_DG205953,,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=O,,NELQYZRSPDCGRQ-DBRKOABJSA-N
BMGC_DG16191,BMG_DG205964,,S(NC(=N)N)(c1ccc(NC(=O)C)cc1)(=O)=O,,BDTLWPHLHNDHRC-UHFFFAOYSA-N
BMGC_DG16192,BMG_DG206020,CC(=O)C=O,C(C=O)(C)=O,"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3",AIJULSRZWUXGPQ-UHFFFAOYSA-N
BMGC_DG16193,BMG_DG206027,,n1[nH]c2c(c1)cc(N)cc2,,XBTOSRUBOXQWBO-UHFFFAOYSA-N
BMGC_DG16194,BMG_DG206046,C([C@@H](C(=O)O)NC=O)C(=O)O,,"InChI=1S/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m0/s1",MQUUQXIFCBBFDP-VKHMYHEASA-N
BMGC_DG16195,BMG_DG206052,C[C@@H](C(=O)O)NC(=O)C,C([C@H](C)NC(C)=O)(=O)O,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",KTHDTJVBEPMMGL-VKHMYHEASA-N
BMGC_DG16196,BMG_DG206060,CC[C@H](C)[C@@H](C(=O)O)NC(=O)CN,,"InChI=1S/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,7-/m0/s1",KGVHCTWYMPWEGN-FSPLSTOPSA-N
BMGC_DG16197,BMG_DG206088,CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O,C(c1ccc(O)cc1)(CC(C)(C)C)(C)C,"InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3",ISAVYTVYFVQUDY-UHFFFAOYSA-N
BMGC_DG16198,BMG_DG206089,,N(C(Nc1cc(Cl)ccc1Cl)=S)C(=O)c2ccccc2,,DEWHSBUUMWHCGU-UHFFFAOYSA-N
BMGC_DG16199,BMG_DG206171,CCCCOC(=O)CCC(=O)OCCCC,C(CCC(OCCCC)=O)(OCCCC)=O,"InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3",YUXIBTJKHLUKBD-UHFFFAOYSA-N
BMGC_DG16200,BMG_DG206195,,Nc1nc2c(nn1)cccc2,,BHHRGAKNBXQGIO-UHFFFAOYSA-N
BMGC_DG16201,BMG_DG206256,CC(CCC=C(C)C)CCO,C(CCC=C(C)C)(CCO)C,"InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3",QMVPMAAFGQKVCJ-UHFFFAOYSA-N
BMGC_DG16202,BMG_DG206277,,c12oc3ccccc3c1ccc(c2)O,,GOQIZPVZGYUGIA-UHFFFAOYSA-N
BMGC_DG16203,BMG_DG206295,,[N+](c1cc(OC)c(cc1C=O)OC)([O-])=O,,YWSPWKXREVSQCA-UHFFFAOYSA-N
BMGC_DG16204,BMG_DG206333,CCOC(=O)C,C(=O)(OCC)C,"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3",XEKOWRVHYACXOJ-UHFFFAOYSA-N
BMGC_DG16205,BMG_DG206343,,O=c1ccc2ccc(N(CC)CC)cc2o1,,QXAMGWKESXGGNV-UHFFFAOYSA-N
BMGC_DG16206,BMG_DG206346,C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)C2=C(C=CC(=N2)NC(=O)C3=C(C=C(C=N3)C(F)(F)F)Cl)F,c1(c(cc(cn1)C(F)(F)F)Cl)C(=O)Nc2ccc(c(n2)[C@@]3(CO[C@](C(=N3)N)(C(F)(F)F)C)C)F,"InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1",PSBBWFNMHDUTRH-DLBZAZTESA-N
BMGC_DG16207,BMG_DG206400,,c1(c(ccc(c1)OC)CNCc2c(cc(cc2)OC)OC)OC,,IZWMZVDEYOKQCG-UHFFFAOYSA-N
BMGC_DG16208,BMG_DG206402,CO,CO,"InChI=1S/CH4O/c1-2/h2H,1H3",OKKJLVBELUTLKV-UHFFFAOYSA-N
BMGC_DG16209,BMG_DG206409,,OC(c1cncc(c1)Br)=O,,FQIUCPGDKPXSLL-UHFFFAOYSA-N
BMGC_DG16210,BMG_DG206414,C1=CC(=O)NC=C1,c1(cccc[nH]1)=O,"InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)",UBQKCCHYAOITMY-UHFFFAOYSA-N
BMGC_DG16211,BMG_DG206434,C1CN(CCN1)C2=NC=CC=N2,c1(N2CCNCC2)ncccn1,"InChI=1S/C8H12N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2",MRBFGEHILMYPTF-UHFFFAOYSA-N
BMGC_DG16212,BMG_DG206463,[Mg+2],[Mg+2],InChI=1S/Mg/q+2,JLVVSXFLKOJNIY-UHFFFAOYSA-N
BMGC_DG16213,BMG_DG206471,C[C@H](CCCC(C)(C)O)[C@H]1CCC2[C@@]1(CCCC2=C/C=C\3/C[C@H](CCC3=C)O)C,,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11?,22-12-/t20-,23+,24-,25?,27-/m1/s1",JWUBBDSIWDLEOM-UXXTVWJXSA-N
BMGC_DG16214,BMG_DG206492,CC1(N=C(N=C(N1C2=CC=C(C=C2)OC)N)N)C,c1cc(OC)ccc1N2C(N)=NC(N)=NC2(C)C,"InChI=1S/C12H17N5O/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H4,13,14,15,16)",KLCSZLKQTXQCTD-UHFFFAOYSA-N
BMGC_DG16215,BMG_DG206498,CC(=CCCC(=CCCC(C)(C=C)O)C)C,,"InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3",FQTLCLSUCSAZDY-UHFFFAOYSA-N
BMGC_DG16216,BMG_DG206499,COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=CC=C3,c1ccc(-c2oc3cc(cc(c3c(c2)=O)OC)OC)cc1,"InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3",JRFZSUMZAUHNSL-UHFFFAOYSA-N
BMGC_DG16217,BMG_DG206537,,O1CCCCC1,,DHXVGJBLRPWPCS-UHFFFAOYSA-N
BMGC_DG16218,BMG_DG206552,,c1([nH]c2ccc(cc2c1)O)C(=O)O,,BIMHWDJKNOMNLD-UHFFFAOYSA-N
BMGC_DG16219,BMG_DG206554,CC(=O)[O-].CC(=O)[O-].[Mg+2],CC([O-])=O.[Mg+2].CC([O-])=O,"InChI=1S/2C2H4O2.Mg/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",UEGPKNKPLBYCNK-UHFFFAOYSA-L
BMGC_DG16220,BMG_DG206581,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,OP(O)(=O)O[C@H]1[C@H]([C@H]([C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(=O)(O)O)OP(O)(O)=O)OP(O)(O)=O,"InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)",IMQLKJBTEOYOSI-GPIVLXJGSA-N;IMQLKJBTEOYOSI-UHFFFAOYSA-N
BMGC_DG16221,BMG_DG206635,C1CN1C2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-],C1CN1c2cc(C(=O)N)c([N+](=O)[O-])cc2[N+]([O-])=O,"InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)",WOCXQMCIOTUMJV-UHFFFAOYSA-N
BMGC_DG16222,BMG_DG206638,,c1(n(nc(c1)C(O)=O)-c2ccc(cc2)S(=O)(=O)O)O,,FWCFCFWLTZFWFS-UHFFFAOYSA-N
BMGC_DG16223,BMG_DG206646,CCCCCCCCCO,CCCCCCCCCO,"InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3",ZWRUINPWMLAQRD-UHFFFAOYSA-N
BMGC_DG16224,BMG_DG206658,,C(CCCCC)CCCCN,,MHZGKXUYDGKKIU-UHFFFAOYSA-N
BMGC_DG16225,BMG_DG206661,,C(CCCCC)CCCCS,,VTXVGVNLYGSIAR-UHFFFAOYSA-N
BMGC_DG16226,BMG_DG206665,,,,
BMGC_DG16227,BMG_DG206670,C1(C(C(C(C(C1O)O)O)O)O)O,[C@H]1([C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)O)O)O;[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)O;[C@@H]1([C@H]([C@H]([C@@H]([C@@H]([C@@H]1O)O)O)O)O)O;[C@H]1([C@H]([C@H](O)[C@H]([C@@H]([C@H]1O)O)O)O)O;[C@H]1([C@@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)O;[C@@H]1([C@H]([C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)O)O)O;[C@H]1([C@@H]([C@H]([C@@H]([C@@H]([C@@H]1O)O)O)O)O)O;[C@H]1([C@H]([C@H](O)[C@@H]([C@@H]([C@H]1O)O)O)O)O;[C@@H]1([C@@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)O;[C@@H]1([C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)O)O)O,InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H,CDAISMWEOUEBRE-JMVOWJSSSA-N;CDAISMWEOUEBRE-LKPKBOIGSA-N;CDAISMWEOUEBRE-UHFFFAOYSA-N;CDAISMWEOUEBRE-DCLYFUHFSA-N;CDAISMWEOUEBRE-CDRYSYESSA-N;CDAISMWEOUEBRE-SHFUYGGZSA-N;CDAISMWEOUEBRE-OQYPVSDDSA-N;CDAISMWEOUEBRE-GPIVLXJGSA-N;CDAISMWEOUEBRE-GNIYUCBRSA-N;CDAISMWEOUEBRE-NIPYSYMMSA-N
BMGC_DG16228,BMG_DG206718,[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4,[B-](c1ccccc1)(c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1S/C24H20B/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q-1",SVHQOIWIRUVWII-UHFFFAOYSA-N
BMGC_DG16229,BMG_DG206739,CCOC1=C(C(=C(C=C1[C@H](C)N2C3=NC=NC(=C3C(=N2)C)N)Cl)F)C4CC(=O)NC4,,"InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11?/m0/s1",ZQPDJCIXJHUERQ-VUWPPUDQSA-N
BMGC_DG16230,BMG_DG206752,CCOC(=O)C1(CCN(CC1)CCC2=CC=C(C=C2)N)C3=CC=CC=C3,C1(C(=O)OCC)(CCN(CC1)CCc2ccc(cc2)N)c3ccccc3,"InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3",LKYQLAWMNBFNJT-UHFFFAOYSA-N
BMGC_DG16231,BMG_DG206766,C[As](=O)(O)O,[As](=O)(O)(O)C,"InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)",QYPPRTNMGCREIM-UHFFFAOYSA-N
BMGC_DG16232,BMG_DG206773,CN1CCN(CC1)CC2=CC=C(C=C2)C3=CN(C4=NC(=NC=C34)NCCC5CC5)C6CCC(CC6)O,n1cc2c(nc1NCCC3CC3)n(cc2-c4ccc(cc4)CN5CCN(CC5)C)[C@H]6CC[C@@H](CC6)O,"InChI=1S/C29H40N6O/c1-33-14-16-34(17-15-33)19-22-4-6-23(7-5-22)27-20-35(24-8-10-25(36)11-9-24)28-26(27)18-31-29(32-28)30-13-12-21-2-3-21/h4-7,18,20-21,24-25,36H,2-3,8-17,19H2,1H3,(H,30,31,32)",LBEJYFVJIPQSNX-UHFFFAOYSA-N;LBEJYFVJIPQSNX-SOAUALDESA-N
BMGC_DG16233,BMG_DG206790,CNC[C@H]1C2=C(CCO1)C=CS2,C1Cc2c([C@@H](O1)CNC)scc2,"InChI=1S/C9H13NOS/c1-10-6-8-9-7(2-4-11-8)3-5-12-9/h3,5,8,10H,2,4,6H2,1H3/t8-/m0/s1",ABDDQTDRAHXHOC-QMMMGPOBSA-N
BMGC_DG16234,BMG_DG206794,,c1(c(c(c2cc(c(c(c2o1)C=O)O)OC)C)CC(=O)N3CCOCC3)=O,,IFDGMRMUJYGWQQ-UHFFFAOYSA-N
BMGC_DG16235,BMG_DG206797,,C[C@@H]1CN(Cc2ccc3c(c2)nc(cc3-c4cn(C)nc4)C(N)=O)C[C@@H](O1)C(F)(F)F,,KTYWQIWONODXST-CWTRNNRKSA-N
BMGC_DG16236,BMG_DG206800,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,[C@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC1)[H])(CC[C@H](O)C4)C)[H])(CC[C@@H]2C(=O)C)[H])C,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1",ORNBQBCIOKFOEO-QGVNFLHTSA-N
BMGC_DG16237,BMG_DG206802,,Fc1cc(ccc1-c2cc(nc3c2ccc(c3)CCc4cnc(C)nc4)C(N)=O)OC,,YFISEEHEDYLAHH-UHFFFAOYSA-N
BMGC_DG16238,BMG_DG206808,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O,[C@]12([C@]([C@]3([C@]([C@@]([C@H](C)O)(CC3)[H])(C)CC1)[H])(CCC=4[C@@]2(CCC(C4)=O)C)[H])[H],"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16-,17+,18-,19-,20-,21+/m0/s1",RWBRUCCWZPSBFC-RXRZZTMXSA-N
BMGC_DG16239,BMG_DG206820,,C(CN)c1c2c([nH]c1)ccc(OCc3ccccc3)c2,,WKPDXBXNJWWWGQ-UHFFFAOYSA-N
BMGC_DG16240,BMG_DG206831,CN1CCC[C@H]1C2=CN=CC=C2,N1([C@H](c2cnccc2)CCC1)C,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1",SNICXCGAKADSCV-JTQLQIEISA-N
BMGC_DG16241,BMG_DG206834,CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC,[nH]1cc(CCNC(=O)C)c2c1ccc(OC)c2,"InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)",DRLFMBDRBRZALE-UHFFFAOYSA-N
BMGC_DG16242,BMG_DG206840,,O=S(=O)(N)c1cc(c(N)c(Cl)c1)Cl,,DVZMRTJKNJKEGV-UHFFFAOYSA-N
BMGC_DG16243,BMG_DG206845,C[C@H]1CCCCN1C2=NN=C3N2C=C(C=C3)O[C@@H]4CC[C@@H](C5=CC=CC=C45)NC(=O)NC6=CC(=NN6C7=CN(N=C7)CCN(C)C)C(C)(C)C,O(c1cn2c(nnc2cc1)N3[C@@H](C)CCCC3)[C@H]4c5c([C@H](CC4)NC(Nc6n(nc(c6)C(C)(C)C)-c7cn(nc7)CCN(C)C)=O)cccc5,"InChI=1S/C37H49N11O2/c1-25-11-9-10-18-46(25)36-42-41-33-17-14-27(24-47(33)36)50-31-16-15-30(28-12-7-8-13-29(28)31)39-35(49)40-34-21-32(37(2,3)4)43-48(34)26-22-38-45(23-26)20-19-44(5)6/h7-8,12-14,17,21-25,30-31H,9-11,15-16,18-20H2,1-6H3,(H2,39,40,49)/t25-,30-,31+/m0/s1",PPZSTJQLZOPKBO-LGXAAPQCSA-N
BMGC_DG16244,BMG_DG206852,,n1c2c(cccc2)ccc1Sc3ccccc3,,BCOSVBKPHCKEII-UHFFFAOYSA-N
BMGC_DG16245,BMG_DG206862,,O=C1C2=C(C(=O)c3c1c(O)cc(OC)c3)[C@@H](O)[C@](C)(O)[C@H](O)[C@H]2O,,VSMBLBOUQJNJIL-JJXSEGSLSA-N
BMGC_DG16246,BMG_DG206874,CC1=C(C2=C(C=C1)C(=NC=C2)NC3=C(C(=CC=C3)Cl)F)NC(=O)C4=CSC5=C4N=CN=C5N,N(C(=O)c1c2c(sc1)c(N)ncn2)c3c4c(c(Nc5c(F)c(Cl)ccc5)ncc4)ccc3C,"InChI=1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)",KVCQTKNUUQOELD-UHFFFAOYSA-N
BMGC_DG16247,BMG_DG206879,C=CCN1CC2=CC=CC=C2C3=CC=CC=C3C1,c12-c3c(CN(Cc1cccc2)CC=C)cccc3,"InChI=1S/C17H17N/c1-2-11-18-12-14-7-3-5-9-16(14)17-10-6-4-8-15(17)13-18/h2-10H,1,11-13H2",NYGHGTMKALXFIA-UHFFFAOYSA-N
BMGC_DG16248,BMG_DG206887,C1CC(=O)NC2=NC=CC(=C21)OC3=CC4=C(C=C3)O[C@H]5[C@@H]4[C@@H]5C6=NC7=C(N6)C=C(C=C7)C(F)(F)F,FC(c1cc2[nH]c([C@@H]3[C@]4(Oc5ccc(Oc6ccnc7NC(=O)CCc76)cc5[C@]43[H])[H])nc2cc1)(F)F,"InChI=1S/C25H17F3N4O3/c26-25(27,28)11-1-4-15-16(9-11)31-24(30-15)21-20-14-10-12(2-5-17(14)35-22(20)21)34-18-7-8-29-23-13(18)3-6-19(33)32-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,30,31)(H,29,32,33)/t20-,21-,22-/m0/s1",NGFFVZQXSRKHBM-FKBYEOEOSA-N
BMGC_DG16249,BMG_DG206894,CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O,N(c1ccnc(C(F)(F)F)c1)c2nc(NCC(O)(C)C)nc(-c3cccc(C(F)(F)F)n3)n2,"InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)",DYLUUSLLRIQKOE-UHFFFAOYSA-N
BMGC_DG16250,BMG_DG206896,COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O,c12c(c3ccccc3[nH]1)CCN4[C@]2(C[C@@]5([C@@H](C(=O)OC)[C@@H](O)CC[C@]5(C4)[H])[H])[H],"InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1",BLGXFZZNTVWLAY-SCYLSFHTSA-N
BMGC_DG16251,BMG_DG206943,,c12n([C@@H]3O[C@H](CO)[C@H]([C@H]3O)O)cnc1c(nc(n2)Cl)N,,BIXYYZIIJIXVFW-UUOKFMHZSA-N
BMGC_DG16252,BMG_DG206946,CCC1=NC(=CN2C1=CC(=N2)C3=CC(=O)N4C=C(C=C(C4=N3)C)C5CCN(CC5)C)C,,"InChI=1S/C24H28N6O/c1-5-19-22-11-21(27-30(22)13-16(3)25-19)20-12-23(31)29-14-18(10-15(2)24(29)26-20)17-6-8-28(4)9-7-17/h10-14,17H,5-9H2,1-4H3",GYFRQCMDLBNZSF-UHFFFAOYSA-N
BMGC_DG16253,BMG_DG206950,,n1(c2c(c(N)nc(n2)F)nc1)[C@H]3[C@@H]([C@H](O)[C@H](O3)CO)O,,HBUBKKRHXORPQB-UUOKFMHZSA-N
BMGC_DG16254,BMG_DG206968,CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOCCC)C)C,N1C(C)=C(C(=O)OCCOCCC)C(c2cc([N+]([O-])=O)ccc2)C(C(=O)OCCOCCC)=C1C,"InChI=1S/C25H34N2O8/c1-5-10-32-12-14-34-24(28)21-17(3)26-18(4)22(25(29)35-15-13-33-11-6-2)23(21)19-8-7-9-20(16-19)27(30)31/h7-9,16,23,26H,5-6,10-15H2,1-4H3",VZWXXKDFACOXNT-UHFFFAOYSA-N
BMGC_DG16255,BMG_DG206970,,,,
BMGC_DG16256,BMG_DG206987,,O=C1c2n(C3(CN1)CCCCC3)c4c(c2)cnc(Nc5ccc(cn5)N6CCNCC6)n4,,TWTKMJWAXOPXSX-UHFFFAOYSA-N
BMGC_DG16257,BMG_DG206989,,C(C(=O)c1ccccc1)(c2ccc(cc2)Cl)=O,,QDCKVAZDINMMHO-UHFFFAOYSA-N
BMGC_DG16258,BMG_DG206996,C1CN(C1)C[C@H](C2=CC(=C(C=C2)Cl)C(F)(F)F)NC3=NC=NC4=C3C=CC=C4C(=O)N,c1cc(c2c(c1)c(ncn2)N[C@H](CN3CCC3)c4ccc(c(c4)C(F)(F)F)Cl)C(N)=O,"InChI=1S/C21H19ClF3N5O/c22-16-6-5-12(9-15(16)21(23,24)25)17(10-30-7-2-8-30)29-20-14-4-1-3-13(19(26)31)18(14)27-11-28-20/h1,3-6,9,11,17H,2,7-8,10H2,(H2,26,31)(H,27,28,29)/t17-/m1/s1",HXAUJHZZPCBFPN-QGZVFWFLSA-N
BMGC_DG16259,BMG_DG207008,CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,N12[C@@](SC([C@@H]1C(O)=O)(C)C)([H])[C@@H](C2=O)NC(c3c4c(cccc4)ccc3OCC)=O,"InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1",GPXLMGHLHQJAGZ-JTDSTZFVSA-N
BMGC_DG16260,BMG_DG207036,CC1=C[C@@H]2CN([C@@H]1C(=O)N)C(=O)N2OS(=O)(=O)O,C(N)(=O)[C@H]1[N@@]2C(=O)N(OS(=O)(=O)O)[C@H](C=C1C)C2,"InChI=1S/C8H11N3O6S/c1-4-2-5-3-10(6(4)7(9)12)8(13)11(5)17-18(14,15)16/h2,5-6H,3H2,1H3,(H2,9,12)(H,14,15,16)/t5-,6+/m1/s1",BISPBXFUKNXOQY-RITPCOANSA-N
BMGC_DG16261,BMG_DG207042,CC(C)NS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2CCN3)NC4=C(C=C(C=C4)N5CCC(CC5)N6CCN(CC6)C)OC,N(c1c2c(nc(n1)Nc3c(OC)cc(cc3)N4CCC(CC4)N5CCN(CC5)C)NCC2)c6c(S(NC(C)C)(=O)=O)cccc6,"InChI=1S/C32H45N9O3S/c1-22(2)38-45(42,43)29-8-6-5-7-27(29)34-31-25-11-14-33-30(25)36-32(37-31)35-26-10-9-24(21-28(26)44-4)40-15-12-23(13-16-40)41-19-17-39(3)18-20-41/h5-10,21-23,38H,11-20H2,1-4H3,(H3,33,34,35,36,37)",NPJCURIANJMFEO-UHFFFAOYSA-N
BMGC_DG16262,BMG_DG207048,CCN(CC)C(=S)S,C(S)(=S)N(CC)CC,"InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)",LMBWSYZSUOEYSN-UHFFFAOYSA-N
BMGC_DG16263,BMG_DG207052,CCC1=CC=C(C=C1)N(CC(C)C)S(=O)(=O)C2=CC(=C(C=C2)OCC3CCOCC3)CO,O=S(c1ccc(OCC2CCOCC2)c(CO)c1)(=O)N(c3ccc(CC)cc3)CC(C)C,"InChI=1S/C25H35NO5S/c1-4-20-5-7-23(8-6-20)26(16-19(2)3)32(28,29)24-9-10-25(22(15-24)17-27)31-18-21-11-13-30-14-12-21/h5-10,15,19,21,27H,4,11-14,16-18H2,1-3H3",LZLBRISQTJVZNP-UHFFFAOYSA-N
BMGC_DG16264,BMG_DG207055,C1C[C@@H](NC1)C(=O)O,C(O)(=O)[C@H]1CCCN1,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",ONIBWKKTOPOVIA-SCSAIBSYSA-N
BMGC_DG16265,BMG_DG207060,CC1=C(C(=CC=C1)Cl)C(=O)NNC(=O)C2=CC(=C(C=C2)C)C#CC3=CC4=CC=CC=C4N=C3,c1cc2c(cc1)cc(cn2)C#Cc3cc(ccc3C)C(NNC(c4c(cccc4Cl)C)=O)=O,"InChI=1S/C27H20ClN3O2/c1-17-10-12-22(26(32)30-31-27(33)25-18(2)6-5-8-23(25)28)15-20(17)13-11-19-14-21-7-3-4-9-24(21)29-16-19/h3-10,12,14-16H,1-2H3,(H,30,32)(H,31,33)",ZQOBVMHBVWNVBG-UHFFFAOYSA-N
BMGC_DG16266,BMG_DG207076,,c1(c(c(ccc1)C=O)O)OC,,JJVNINGBHGBWJH-UHFFFAOYSA-N
BMGC_DG16267,BMG_DG207082,CN1C=C(C=C1C#N)C2=CNC3=C2C(=NC=N3)N4CCOCC4,,"InChI=1S/C16H16N6O/c1-21-9-11(6-12(21)7-17)13-8-18-15-14(13)16(20-10-19-15)22-2-4-23-5-3-22/h6,8-10H,2-5H2,1H3,(H,18,19,20)",IYQTYHISVSPMSU-UHFFFAOYSA-N
BMGC_DG16268,BMG_DG207083,C1=C(C(=CC2=C1NC=NS2(=O)=O)S(=O)(=O)N)C(F)(F)F,S1(c2cc(S(=O)(=O)N)c(cc2N=CN1)C(F)(F)F)(=O)=O,"InChI=1S/C8H6F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-3H,(H,13,14)(H2,12,15,16)",RGUQWGXAYZNLMI-UHFFFAOYSA-N
BMGC_DG16269,BMG_DG207084,CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCC(C6=NC7=C(C=C(C=C7)OC)N=C6O2)(F)F)C(C)(C)C,N([C@@]1(C[C@H]1C(F)F)C(=O)NS(C2(CC2)C)(=O)=O)C([C@@H]3[C@H](CC)[C@@]4([H])Oc5nc6cc(OC)ccc6nc5C(CCCC[C@@H]7C[C@H]7OC(=O)N[C@@H](C(C)(C)C)C(=O)N3C4)(F)F)=O,"InChI=1S/C40H52F4N6O9S/c1-7-22-27-19-50(28(22)32(51)48-39(18-23(39)31(41)42)35(53)49-60(55,56)38(5)14-15-38)34(52)30(37(2,3)4)47-36(54)59-26-16-20(26)10-8-9-13-40(43,44)29-33(58-27)46-25-17-21(57-6)11-12-24(25)45-29/h11-12,17,20,22-23,26-28,30-31H,7-10,13-16,18-19H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t20-,22-,23+,26-,27+,28+,30-,39-/m1/s1",MZBLZLWXUBZHSL-FZNJKFJKSA-N
BMGC_DG16270,BMG_DG207093,,C(C)(=C)[C@H]1[C@@](C=C(C)CC1)(c2c(CCCCC)cc(O)cc2O)[H],,YWEZXUNAYVCODW-RBUKOAKNSA-N
BMGC_DG16271,BMG_DG207095,,,,
BMGC_DG16272,BMG_DG207130,COC(=O)C1=C(NC(=N[C@H]1C2=C(C=C(C=C2)F)Cl)C3=NC=CS3)CN4CCOC[C@H]4C(=O)O,,"InChI=1S/C21H20ClFN4O5S/c1-31-21(30)16-14(9-27-5-6-32-10-15(27)20(28)29)25-18(19-24-4-7-33-19)26-17(16)12-3-2-11(23)8-13(12)22/h2-4,7-8,15,17H,5-6,9-10H2,1H3,(H,25,26)(H,28,29)/t15-,17-/m0/s1",QJLRUAVQNXTCMO-RDJZCZTQSA-N
BMGC_DG16273,BMG_DG207162,,C[C@H](NCc1cc2c(cc1)n(C[C@@H]3N(CCC3)C(=O)C=C)c(NC(=O)c4sc(cc4)C(F)F)n2)C(C)(C)C,,NXTKFBGDLDPFLB-PKOBYXMFSA-N
BMGC_DG16274,BMG_DG207170,C[C@H](C(=O)OC(C)C)N[P@@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)Cl)O)OC3=CC=CC=C3,[C@@]1([C@H](n2c(=O)[nH]c(=O)cc2)O[C@@H]([C@H]1O)CO[P@](N[C@H](C)C(=O)OC(C)C)(Oc3ccccc3)=O)(C)Cl,"InChI=1S/C22H29ClN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16-,18-,20-,22-,36-/m1/s1",SFPFZQKYPOWCSI-KHFYHRBSSA-N
BMGC_DG16275,BMG_DG207192,,c1c(cc(nc1)CNCC(N(CCN(C)C)CC)=O)C(OCC)=O,,WCILOMUUNVPIKQ-UHFFFAOYSA-N
BMGC_DG16276,BMG_DG207204,C1=CC(=CC(=C1)Cl)C2=NC(=CC(=C2)CC3=CC=C(C=C3)CC(=O)O)C(F)(F)F,c1(nc(cc(c1)Cc2ccc(cc2)CC(O)=O)-c3cc(ccc3)Cl)C(F)(F)F,"InChI=1S/C21H15ClF3NO2/c22-17-3-1-2-16(12-17)18-9-15(10-19(26-18)21(23,24)25)8-13-4-6-14(7-5-13)11-20(27)28/h1-7,9-10,12H,8,11H2,(H,27,28)",LTSUMTMGJHPGFX-UHFFFAOYSA-N
BMGC_DG16277,BMG_DG207226,COC1=CC=C(C=C1)O,c1(ccc(cc1)OC)O,"InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3",NWVVVBRKAWDGAB-UHFFFAOYSA-N
BMGC_DG16278,BMG_DG207230,COC1=CC=C(C=C1)OC,c1c(ccc(c1)OC)OC,"InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3",OHBQPCCCRFSCAX-UHFFFAOYSA-N
BMGC_DG16279,BMG_DG207235,CC(CCC=C(C)C)CCOC(=O)C,C(=O)(OCCC(CCC=C(C)C)C)C,"InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3",JOZKFWLRHCDGJA-UHFFFAOYSA-N
BMGC_DG16280,BMG_DG207247,,c1ccc(cc1)CSc2ccncc2S(=O)(=O)N,,FUJBJSOIYVUFSM-UHFFFAOYSA-N
BMGC_DG16281,BMG_DG207250,CN1C(=CC(=N1)C(=O)OCCCCNC[C@@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O)COC4=CC=CC(=C4)[C@H](C5=CC=CC=C5)NC(=O)O[C@H]6CN7CCC6CC7,,"InChI=1S/C42H48N6O8/c1-47-30(23-34(46-47)41(52)54-21-6-5-18-43-24-36(50)32-12-14-35(49)40-33(32)13-15-38(51)44-40)26-55-31-11-7-10-29(22-31)39(28-8-3-2-4-9-28)45-42(53)56-37-25-48-19-16-27(37)17-20-48/h2-4,7-15,22-23,27,36-37,39,43,49-50H,5-6,16-21,24-26H2,1H3,(H,44,51)(H,45,53)/t36-,37-,39-/m0/s1",YWSIONULMMKTSJ-UZGNFBRWSA-N
BMGC_DG16282,BMG_DG207251,,C(c1cnccc1)(=O)OCCCCCC,,RVYGVBZGSFLJKH-UHFFFAOYSA-N
BMGC_DG16283,BMG_DG207258,,CCOCCOCCOCCOCCOCCOCC,,IXFAFGFZFQHRLB-UHFFFAOYSA-N
BMGC_DG16284,BMG_DG207297,,,,
BMGC_DG16285,BMG_DG207314,C[C@H]1CN(C[C@H]([C@@H]1O)N)C2=C3CC[C@H](C3=NC=C2NC(=O)C4=NC(=C(C=C4)F)C5=C(C=CC=C5F)F)O,N(c1cnc2[C@H](O)CCc2c1N3C[C@@H](N)[C@H](O)[C@@H](C)C3)C(c4ccc(F)c(-c5c(F)cccc5F)n4)=O,"InChI=1S/C26H26F3N5O3/c1-12-10-34(11-17(30)25(12)36)24-13-5-8-20(35)22(13)31-9-19(24)33-26(37)18-7-6-16(29)23(32-18)21-14(27)3-2-4-15(21)28/h2-4,6-7,9,12,17,20,25,35-36H,5,8,10-11,30H2,1H3,(H,33,37)/t12-,17+,20+,25+/m0/s1",PTORCEYGCGXHDH-OVMXCRKPSA-N
BMGC_DG16286,BMG_DG207325,C1=CC2=C(C=CC(=C2)N)C(=C1)O,,"InChI=1S/C10H9NO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6,12H,11H2",QYFYIOWLBSPSDM-UHFFFAOYSA-N
BMGC_DG16287,BMG_DG207328,CC(=O)NCCC1=CNC2=C1C=C(C=C2)O,CC(NCCc1c[nH]c2c1cc(cc2)O)=O,"InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)",MVAWJSIDNICKHF-UHFFFAOYSA-N
BMGC_DG16288,BMG_DG207332,C1C[C@@H]2C[C@H]1N3[C@H](O2)CN4C=C(C(=O)C(=C4C3=O)O)C(=O)NCC5=C(C=C(C=C5F)F)F,[C@@]12(N(C(c3n(C1)cc(c(c3O)=O)C(NCc4c(cc(cc4F)F)F)=O)=O)[C@H]5CC[C@@H](O2)C5)[H],"InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1",SOLUWJRYJLAZCX-LYOVBCGYSA-N
BMGC_DG16289,BMG_DG207341,,[C@]12(N(C(c3n(C1)cc(c(c3O)=O)C(NCc4c(cc(cc4F)F)F)=O)=O)[C@@H]5CC[C@H](O2)C5)[H],,SOLUWJRYJLAZCX-GDLVEWKHSA-N
BMGC_DG16290,BMG_DG207346,CC1=CC(=C(C=C1)NC2=NC(=NC=C2C(F)(F)F)NC3=CC(=NC=C3C)OC)NC(=O)C=C,,"InChI=1S/C22H21F3N6O2/c1-5-18(32)28-17-8-12(2)6-7-15(17)29-20-14(22(23,24)25)11-27-21(31-20)30-16-9-19(33-4)26-10-13(16)3/h5-11H,1H2,2-4H3,(H,28,32)(H2,26,27,29,30,31)",ILUKRINUNLAVMH-UHFFFAOYSA-N
BMGC_DG16291,BMG_DG207348,,Nc1ncccc1OCc2ccccc2,,NMCBWICNRJLKKM-UHFFFAOYSA-N
BMGC_DG16292,BMG_DG207351,CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C,N1(C(C(C(=O)NC1=O)(C(C#CCC)C)CC=C)=O)C,"InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)",NZXKDOXHBHYTKP-UHFFFAOYSA-N
BMGC_DG16293,BMG_DG207382,CC(=O)NC1=CC=CC=C1,C(Nc1ccccc1)(=O)C,"InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)",FZERHIULMFGESH-UHFFFAOYSA-N
BMGC_DG16294,BMG_DG207387,C[C@H]1CC2=C(CN1C(=O)C3=C(C(=NC=C3)C(F)(F)F)F)N=NN2C4=NC=C(C=N4)F,c1nc(ncc1F)-n2c3C[C@@H](N(C(=O)c4c(F)c(ncc4)C(F)(F)F)Cc3nn2)C,"InChI=1S/C17H12F5N7O/c1-8-4-12-11(26-27-29(12)16-24-5-9(18)6-25-16)7-28(8)15(30)10-2-3-23-14(13(10)19)17(20,21)22/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1",LMDWZBQISRTEBH-QMMMGPOBSA-N
BMGC_DG16295,BMG_DG207388,C[C@@H]1C2=C(CCN1C(=O)C3=C(C(=CC=C3)C(F)(F)F)Cl)N(N=N2)C4=NC=C(C=N4)F,c1(c(c(ccc1)C(N2[C@@H](c3c(CC2)n(nn3)-c4ncc(cn4)F)C)=O)Cl)C(F)(F)F,"InChI=1S/C18H13ClF4N6O/c1-9-15-13(29(27-26-15)17-24-7-10(20)8-25-17)5-6-28(9)16(30)11-3-2-4-12(14(11)19)18(21,22)23/h2-4,7-9H,5-6H2,1H3/t9-/m1/s1",CWFVVQFVGMFTBD-SECBINFHSA-N
BMGC_DG16296,BMG_DG207396,CCC1=C(N2C=C(C=C(C2=N1)C)N3CCN(CC3)CC(=O)N4CC(C4)O)N(C)C5=NC(=C(S5)C#N)C6=CC=C(C=C6)F,c1(cn2c(c(c1)C)nc(c2N(c3sc(c(n3)-c4ccc(cc4)F)C#N)C)CC)N5CCN(CC5)CC(N6CC(C6)O)=O,"InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3",REQQVBGILUTQNN-UHFFFAOYSA-N
BMGC_DG16297,BMG_DG207403,,C1(CC1)(C(=O)Nc2ccc(cc2)Oc3ccnc4cc(c(cc34)OC)OC)C(=O)Nc5cc(c(cc5)F)O,,ACPMVTQPBYQJIM-UHFFFAOYSA-N
BMGC_DG16298,BMG_DG207419,CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)C(F)(F)F)C3=CC(=NC(=C3)OCCO)N4CCOCC4,Cc1ccc(NC(c2ccnc(C(F)(F)F)c2)=O)cc1-c3cc(OCCO)nc(N4CCOCC4)c3,"InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34)",UEPXBTCUIIGYCY-UHFFFAOYSA-N
BMGC_DG16299,BMG_DG207425,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC5CCCC5,[C@]12([C@]([C@@]3(CCc4c([C@]3(CC1)[H])ccc(OC5CCCC5)c4)[H])(CC[C@]2(C#C)O)[H])C,"InChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1",PWZUUYSISTUNDW-VAFBSOEGSA-N
BMGC_DG16300,BMG_DG207454,COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)N,S(Nc1c(nccn1)OC)(c2ccc(cc2)N)(=O)=O,"InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)",KXRZBTAEDBELFD-UHFFFAOYSA-N
BMGC_DG16301,BMG_DG207456,,,,
BMGC_DG16302,BMG_DG207458,C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OC3=CC(=CC(=C3O)O)C(=O)O,O=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1,"InChI=1S/C21H14O13/c22-10-2-8(3-11(23)16(10)26)20(31)34-15-6-9(4-13(25)18(15)28)21(32)33-14-5-7(19(29)30)1-12(24)17(14)27/h1-6,22-28H,(H,29,30)",QUXNYZHQBWMPNX-UHFFFAOYSA-N
BMGC_DG16303,BMG_DG207477,CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC8=CNC=N8)N,,"InChI=1S/C215H347N61O65S/c1-16-115(10)173(210(337)256-141(68-74-170(299)300)194(321)261-148(94-122-98-232-126-50-24-23-49-124(122)126)199(326)258-143(89-111(2)3)196(323)247-134(58-32-40-83-223)189(316)262-149(96-160(226)285)180(307)235-100-161(286)233-104-165(290)274-85-42-60-156(274)207(334)267-154(108-280)206(333)265-151(105-277)181(308)237-101-162(287)239-117(12)213(340)276-87-44-62-158(276)214(341)275-86-43-61-157(275)208(335)268-153(107-279)204(331)249-132(56-30-38-81-221)187(314)246-131(55-29-37-80-220)186(313)245-130(54-28-36-79-219)185(312)244-129(53-27-35-78-218)184(311)243-128(52-26-34-77-217)183(310)242-127(176(227)303)51-25-33-76-216)272-201(328)146(92-120-45-19-17-20-46-120)260-197(324)144(90-112(4)5)257-190(317)135(59-41-84-231-215(228)229)255-209(336)172(114(8)9)271-177(304)116(11)240-182(309)138(65-71-167(293)294)251-192(319)139(66-72-168(295)296)252-193(320)140(67-73-169(297)298)253-195(322)142(75-88-342-15)254-191(318)137(63-69-159(225)284)250-188(315)133(57-31-39-82-222)248-203(330)152(106-278)266-198(325)145(91-113(6)7)259-200(327)150(97-171(301)302)263-205(332)155(109-281)269-212(339)175(119(14)283)273-202(329)147(93-121-47-21-18-22-48-121)264-211(338)174(118(13)282)270-164(289)103-236-179(306)136(64-70-166(291)292)241-163(288)102-234-178(305)125(224)95-123-99-230-110-238-123/h17-24,45-50,98-99,110-119,125,127-158,172-175,232,277-283H,16,25-44,51-97,100-109,216-224H2,1-15H3,(H2,225,284)(H2,226,285)(H2,227,303)(H,230,238)(H,233,286)(H,234,305)(H,235,307)(H,236,306)(H,237,308)(H,239,287)(H,240,309)(H,241,288)(H,242,310)(H,243,311)(H,244,312)(H,245,313)(H,246,314)(H,247,323)(H,248,330)(H,249,331)(H,250,315)(H,251,319)(H,252,320)(H,253,322)(H,254,318)(H,255,336)(H,256,337)(H,257,317)(H,258,326)(H,259,327)(H,260,324)(H,261,321)(H,262,316)(H,263,332)(H,264,338)(H,265,333)(H,266,325)(H,267,334)(H,268,335)(H,269,339)(H,270,289)(H,271,304)(H,272,328)(H,273,329)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H4,228,229,231)/t115-,116-,117-,118+,119+,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,172-,173-,174-,175-/m0/s1",XVVOERDUTLJJHN-IAEQDCLQSA-N
BMGC_DG16304,BMG_DG207584,,[Na+].S(N)(=O)(=O)c1cc(N)c(cc1)[AsH](=O)[O-],,KNPMNTVLVJAYFS-UHFFFAOYSA-M
BMGC_DG16305,BMG_DG207586,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N6CCC[C@H]6C(=O)N[C@H](CC7=CNC8=CC=CC=C87)C(=O)N[C@@H](CC9=CNC1=CC=CC=C19)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)N,C([C@H](NC(=O)[C@H](NC([C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC([C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@@H](C)CC)=O)Cc3c[nH]c4ccccc43)Cc5c[nH]c6ccccc65)=O)Cc7c[nH]c8ccccc87)C(N9CCC[C@H]9C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(=O)N)CCCNC(N)=N)Cc%10c[nH]c%11ccccc%11%10)=O)c%12c[nH]c%13ccccc%13%12,"InChI=1S/C100H132N26O13/c1-5-57(4)85(102)95(136)123-79(45-56(2)3)96(137)124-42-20-36-82(124)92(133)118-76(46-58-51-110-68-28-11-6-23-63(58)68)89(130)116-74(33-16-17-39-101)88(129)121-80(49-61-54-113-71-31-14-9-26-66(61)71)97(138)125-43-21-38-84(125)94(135)120-78(48-60-53-112-70-30-13-8-25-65(60)70)91(132)122-81(50-62-55-114-72-32-15-10-27-67(62)72)98(139)126-44-22-37-83(126)93(134)119-77(47-59-52-111-69-29-12-7-24-64(59)69)90(131)117-75(35-19-41-109-100(106)107)87(128)115-73(86(103)127)34-18-40-108-99(104)105/h6-15,23-32,51-57,73-85,110-114H,5,16-22,33-50,101-102H2,1-4H3,(H2,103,127)(H,115,128)(H,116,130)(H,117,131)(H,118,133)(H,119,134)(H,120,135)(H,121,129)(H,122,132)(H,123,136)(H4,104,105,108)(H4,106,107,109)/t57-,73-,74-,75-,76-,77-,78+,79-,80-,81-,82-,83-,84-,85-/m0/s1",USSYUMHVHQSYNA-PYODXXEMSA-N
BMGC_DG16306,BMG_DG207654,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])[O-].O.O.O.O.O.O.O.O.O.O.[Fe+3].[Fe+3].[Fe+3].[Fe+3],[Fe+3].[O-]C(=O)CC(CC([O-])=O)([O-])C(=O)[O-].O.O.O.O.O.O.O.O.O.O.[Fe+3].[Fe+3].[Fe+3].[O-]C(=O)CC(CC([O-])=O)([O-])C(=O)[O-].[O-]C(=O)CC(CC([O-])=O)([O-])C(=O)[O-],"InChI=1S/3C6H7O7.4Fe.10H2O/c3*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;;;;;;;/h3*1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;10*1H2/q3*-1;4*+3;;;;;;;;;;/p-9",UISKQNNAQKPSDO-UHFFFAOYSA-E
BMGC_DG16307,BMG_DG207897,,C(NO)(=O)/C=C/c1ccc(CN(CC23CC4CC(CC(C4)C2)C3)C)cc1,,WNIDBXBLQFPAJA-VOTSOKGWSA-N
BMGC_DG16308,BMG_DG208046,CC[C@H](C)[C@H]1C(=O)N[C@@H](CSSC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N2)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N1)CCC(=O)O)CC5=CNC=N5)CC(=O)O)CC6=CC=C(C=C6)O)CC(=O)N)CCCNC(=N)N)CC(=O)O)CO)C(=O)N,C(=O)(CN)N[C@@H]1C(=O)N[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CSSC2)[C@H](CC)C)CCC(=O)O)CCC4)Cc5c[nH]cn5)CC(=O)O)Cc6ccc(O)cc6)CC(=O)N)CSSC1)CCCNC(=N)N)CCC3)CC(=O)O)CO,"InChI=1S/C71H103N23O25S4/c1-3-32(2)55-68(117)89-44(56(74)105)27-120-122-30-47-65(114)88-43(26-95)62(111)87-42(23-54(103)104)70(119)94-18-6-8-48(94)66(115)81-36(7-4-16-78-71(75)76)57(106)90-46(29-123-121-28-45(63(112)91-47)80-51(98)24-72)64(113)84-39(21-50(73)97)60(109)83-38(19-33-10-12-35(96)13-11-33)59(108)85-40(22-53(101)102)61(110)86-41(20-34-25-77-31-79-34)69(118)93-17-5-9-49(93)67(116)82-37(58(107)92-55)14-15-52(99)100/h10-13,25,31-32,36-49,55,95-96H,3-9,14-24,26-30,72H2,1-2H3,(H2,73,97)(H2,74,105)(H,77,79)(H,80,98)(H,81,115)(H,82,116)(H,83,109)(H,84,113)(H,85,108)(H,86,110)(H,87,111)(H,88,114)(H,89,117)(H,90,106)(H,91,112)(H,92,107)(H,99,100)(H,101,102)(H,103,104)(H4,75,76,78)/t32-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-/m0/s1",KJQOYUHYAZGPIZ-PIJHVLQJSA-N
BMGC_DG16309,BMG_DG208056,,COc1cc(C#N)c(OC)cc1CCNCc2ccccc2O,,VWEDZTZAXHMZIL-UHFFFAOYSA-N
BMGC_DG16310,BMG_DG208060,CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C,N1(c2ccc(Cl)cc2)C(N=C(N)N=C1N)(C)C,"InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)",QMNFFXRFOJIOKZ-UHFFFAOYSA-N
BMGC_DG16311,BMG_DG208072,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2C=CC4=CC(=O)CC[C@@]34C)C,[C@]12([C@]([C@@]3(C=CC=4[C@]([C@@]3(CC1)[H])(CCC(=O)C4)C)[H])(CC[C@@H]2C(=O)C)[H])C,"InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1",JGMOKGBVKVMRFX-HQZYFCCVSA-N
BMGC_DG16312,BMG_DG208081,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@H]1C(=O)CO)C)O)C)F,[C@@]12(C([C@@H](F)C[C@]3([C@@]4(C[C@@H](C)[C@@H]([C@]4(C[C@@H]([C@@]31[H])O)C)C(=O)CO)[H])[H])=CC(=O)C=C2)C,"InChI=1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1",GAKMQHDJQHZUTJ-ULHLPKEOSA-N
BMGC_DG16313,BMG_DG208103,,c1ccc(cc1)C(=O)C(OC)(OC)c2ccccc2,,KWVGIHKZDCUPEU-UHFFFAOYSA-N
BMGC_DG16314,BMG_DG208104,,c1(c(C=O)cccc1O)O,,IXWOUPGDGMCKGT-UHFFFAOYSA-N
BMGC_DG16315,BMG_DG208115,CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O,,"InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)",SQVRNKJHWKZAKO-UHFFFAOYSA-N
BMGC_DG16316,BMG_DG208116,,c1(c[nH]c2c1cccc2)C[C@H](C(=O)O)N,,QIVBCDIJIAJPQS-SECBINFHSA-N
BMGC_DG16317,BMG_DG208119,C1=CC2=C(C=C1O)C(=CN2)CCO,c1c(O)cc2c(c1)[nH]cc2CCO,"InChI=1S/C10H11NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,5-6,11-13H,3-4H2",KQROHCSYOGBQGJ-UHFFFAOYSA-N
BMGC_DG16318,BMG_DG208129,,O=S(=O)(N)c1ccc(O)c([N+](=O)[O-])c1,,SXSOYEBKXCZKDH-UHFFFAOYSA-N
BMGC_DG16319,BMG_DG208133,C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O,O1c2c(c(O)cc(c2)O)C[C@@H]([C@H]1c3cc(O)c(cc3)O)O,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",PFTAWBLQPZVEMU-DZGCQCFKSA-N
BMGC_DG16320,BMG_DG208140,,C[C@H]1CNCCc2c1nc(nc2NC)Cc3ccccc3,,IHHALLDEDARSAL-LBPRGKRZSA-N
BMGC_DG16321,BMG_DG208152,,C([C@H]1Oc2cc3oc(=O)ccc3cc2C1)(C)(C)OC(=O)/C(/C)=C/C,,HHNCJFKRMZDTHW-WQRDJFRPSA-N
BMGC_DG16322,BMG_DG208154,,O=C(c1ccccc1)CCCN2C[C@]3(c4c5c(N(C)CCN5[C@]3(CC2)[H])ccc4)[H],,KIOLUKGHLOUGFU-SFTDATJTSA-N
BMGC_DG16323,BMG_DG208956,CC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C3=CC=CC=C3C4=NNN=N4)N(CC(C)C)CC(C)C,,"InChI=1S/C29H35N7O/c1-19(2)17-36(18-20(3)4)27-15-12-22(24-8-6-7-9-25(24)28-32-34-35-33-28)16-26(27)31-29(37)30-23-13-10-21(5)11-14-23/h6-16,19-20H,17-18H2,1-5H3,(H2,30,31,37)(H,32,33,34,35)",CJNMMPAEIYFQIJ-UHFFFAOYSA-N
BMGC_DG16324,BMG_DG208996,C(C(=O)[O-])C(=O)[O-],C(CC(=O)[O-])(=O)[O-],"InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2",OFOBLEOULBTSOW-UHFFFAOYSA-L
BMGC_DG16325,BMG_DG209001,C(CCN=C(N)N)C[C@@H](C(=O)O)N,N[C@@H](CCCCNC(N)=N)C(=O)O,"InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1",QUOGESRFPZDMMT-YFKPBYRVSA-N
BMGC_DG16326,BMG_DG209046,C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)NC=O,C(=O)(CC(N)C(O)=O)c1ccccc1NC=O,"InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)",BYHJHXPTQMMKCA-UHFFFAOYSA-N
BMGC_DG16327,BMG_DG209094,,c1(cnc[nH]1)CCNC,,PHSPJQZRQAJPPF-UHFFFAOYSA-N
BMGC_DG16328,BMG_DG209121,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CC3=CC(=C(C=C3C[C@H]2C(=O)O)OC)OC,N1(C([C@@H](N[C@H](C(=O)OCC)CCc2ccccc2)C)=O)[C@@H](Cc3c(C1)cc(c(OC)c3)OC)C(=O)O,"InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21-,22-/m0/s1",UWWDHYUMIORJTA-HSQYWUDLSA-N
BMGC_DG16329,BMG_DG209123,C(CCCN=C(N)N)CCC(=O)N[C@H](C(=O)NCCCCNCCCN)O,C(CCCC(=O)N[C@H](C(=O)NCCCCNCCCN)O)CCNC(=N)N,"InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23)/t16-/m0/s1",IDINUJSAMVOPCM-INIZCTEOSA-N
BMGC_DG16330,BMG_DG209124,C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5,[C@@]12([C@](C(=O)N(C1=O)CCCCN3CCN(CC3)c4ncccn4)([C@H]5CC[C@@H]2C5)[H])[H],"InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-",CEIJFEGBUDEYSX-FZDBZEDMSA-N
BMGC_DG16331,BMG_DG209126,C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CO,C1N(CCCC1)Cc2cccc(OCCCNC(CO)=O)c2,"InChI=1S/C17H26N2O3/c20-14-17(21)18-8-5-11-22-16-7-4-6-15(12-16)13-19-9-2-1-3-10-19/h4,6-7,12,20H,1-3,5,8-11,13-14H2,(H,18,21)",BCCREUFCSIMJFS-UHFFFAOYSA-N
BMGC_DG16332,BMG_DG209148,,C(C(=O)O)(C1(O)CCCC1)c2ccccc2,,MHVVPVXRMHIATI-UHFFFAOYSA-N
BMGC_DG16333,BMG_DG209195,,N12CC[C@@H](C[C@]1([C@@H](c3c4c(ccc(c4)OC)ncc3)O)[H])[C@H](C2)C=C.Cl.Cl,,NNKXWRRDHYTHFP-HZQSTTLBSA-N
BMGC_DG16334,BMG_DG209196,,CCOC(=O)c1cc2ccc(OC)cc2oc1=O,,FWFVXBZXJKTVGL-UHFFFAOYSA-N
BMGC_DG16335,BMG_DG209201,CC(C(=O)[O-])O,[O-]C(=O)C(O)C,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1",JVTAAEKCZFNVCJ-UHFFFAOYSA-M
BMGC_DG16336,BMG_DG209203,CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)O,[C@@]12([C@@](C(COC(=O)C)=O)(CC[C@]2([C@]3([C@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([H])C(C1)=O)[H])[H])O)C,"InChI=1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-17,20,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1",MOVRKLZUVNCBIP-RFZYENFJSA-N
BMGC_DG16337,BMG_DG209207,C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O,[H][C@@]1(c2cccc(O[C@@H]3O[C@H](CO)[C@H]([C@H](O)[C@H]3O)O)c2C(c4c(cc(C(O)=O)cc14)O)=O)[C@]5([H])c6c(c(ccc6)O[C@@H]7O[C@H](CO)[C@H]([C@H](O)[C@H]7O)O)C(=O)c8c(O)cc(cc85)C(O)=O,"InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1",IPQVTOJGNYVQEO-AIFLABODSA-N
BMGC_DG16338,BMG_DG209210,,,,
BMGC_DG16339,BMG_DG209215,CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O,O[C@H]1CC[C@@]2([C@]3(CC[C@@]4([C@@](CC[C@]4([C@@]3(CC=C2C1)[H])[H])(O)C(=O)C)C)[H])C,"InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1",JERGUCIJOXJXHF-TVWVXWENSA-N
BMGC_DG16340,BMG_DG209218,,O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@H]1OC[C@H]2O[C@H](OC[C@H]3O[C@](O[C@@]4(O[C@@H]([C@@H](O)[C@@H]4O)CO)CO)([C@H](O)[C@@H](O)[C@H]3O)[H])[C@H](O)[C@@H](O)[C@H]2O)CO,,UQZIYBXSHAGNOE-SWXGLOGKSA-N
BMGC_DG16341,BMG_DG209223,CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)O,[C@@H]12[C@H]([C@H](C[C@@H](N1C)CC2)O)C(=O)O,"InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8+/m0/s1",PHMBVCPLDPDESM-FKSUSPILSA-N
BMGC_DG16342,BMG_DG209225,C1C[C@H](NC1)C2=CN=CC=C2,c1ncccc1[C@H]2NCCC2,"InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/t9-/m0/s1",MYKUKUCHPMASKF-VIFPVBQESA-N
BMGC_DG16343,BMG_DG209226,CC1=CCC(CC1O)C(C)(C)O,,"InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3",OMDMTHRBGUBUCO-UHFFFAOYSA-N
BMGC_DG16344,BMG_DG209228,C1C[C@@H]2[C@H]3CCCN4[C@H]3[C@@H](CCC4)CN2C(=O)C1,N12CCC[C@@]3([C@@]4(N(C[C@@]([C@]13[H])(CCC2)[H])C(CCC4)=O)[H])[H],"InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1",ZSBXGIUJOOQZMP-JLNYLFASSA-N
BMGC_DG16345,BMG_DG209230,C1[C@H](COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O,c1c(cc2OC[C@@H](Cc2c1)c3ccc(cc3)O)O,"InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1",ADFCQWZHKCXPAJ-GFCCVEGCSA-N
BMGC_DG16346,BMG_DG209233,C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C)C,C[C@@]12[C@@]3([H])CC[C@]4(C)[C@@H](C)C(=O)CC[C@@]4([H])[C@]3(C)CC[C@]1([C@]5([H])CC(C)(C)CC[C@]5(C)CC2)C,"InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1",OFMXGFHWLZPCFL-SVRPQWSVSA-N
BMGC_DG16347,BMG_DG209235,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C,[C@@]12([C@](CC[C@]2([C@@]3(C(C=C4C[C@@H](O)CC[C@]4(C)[C@]3(CC1)[H])=O)[H])[H])([C@@H](CCCC(C)C)C)[H])C,"InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1",YIKKMWSQVKJCOP-ABXCMAEBSA-N
BMGC_DG16348,BMG_DG209242,CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O,C(CCCCCCCCCCCCCC)[C@H]([C@H](CO)N)O,"InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1",OTKJDMGTUTTYMP-ZWKOTPCHSA-N
BMGC_DG16349,BMG_DG209244,C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O,[C@]12([C@@]3([C@@]([C@@]4(C[C@@H](O)[C@@]([C@]4(C[C@@H]3O)C)(C(=O)CO)O)[H])([H])C[C@@H](C1=CC(C=C2)=O)F)F)C,"InChI=1S/C21H26F2O6/c1-18-4-3-10(25)5-13(18)14(22)6-12-11-7-15(26)21(29,17(28)9-24)19(11,2)8-16(27)20(12,18)23/h3-5,11-12,14-16,24,26-27,29H,6-9H2,1-2H3/t11-,12-,14-,15+,16-,18-,19-,20-,21-/m0/s1",UUOUOERPONYGOS-CLCRDYEYSA-N
BMGC_DG16350,BMG_DG209248,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,P(O)(OC[C@@H](O)[C@H]([C@@H]([C@H](C(=O)O)O)O)O)(=O)O,"InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1",BIRSGZKFKXLSJQ-SQOUGZDYSA-N
BMGC_DG16351,BMG_DG209252,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C,O[C@H]1CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(C[C@H]([C@@]2(O)C1)O)[H])[H])([C@@H](CCCC(C)C)C)[H])C)[H])C,"InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1",YMMFNKXZULYSOQ-RUXQDQFYSA-N
BMGC_DG16352,BMG_DG209258,CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O,[C@@H]([C@@]1([N@]2CC[C@H]([C@H](C2)CC)C1)[H])(c3ccnc4ccc(OC)cc43)O,"InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19+,20-/m0/s1",LJOQGZACKSYWCH-LHHVKLHASA-N
BMGC_DG16353,BMG_DG209261,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(C)(CC(=O)O)O)O,,"InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,19-,20-,21+,25-,27?/m1/s1",CABVTRNMFUVUDM-SJBCKIPMSA-N
BMGC_DG16354,BMG_DG209278,C1=CC(=C(C=C1C(CO)O)O)O,c1cc(c(cc1C(CO)O)O)O,"InChI=1S/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2",MTVWFVDWRVYDOR-UHFFFAOYSA-N
BMGC_DG16355,BMG_DG209281,,,,
BMGC_DG16356,BMG_DG209282,,c12c(OC[C@H](CNC(C)C)O)cccc1cccc2,,AQHHHDLHHXJYJD-AWEZNQCLSA-N
BMGC_DG16357,BMG_DG209290,,,,
BMGC_DG16358,BMG_DG209293,C(CS)[C@@H](C(=O)O)N,C(=O)([C@@H](N)CCS)O,"InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1",FFFHZYDWPBMWHY-VKHMYHEASA-N
BMGC_DG16359,BMG_DG209298,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N,O[C@H]1[C@H](n2c3c(nc2)c(N)ncn3)O[C@@H]([C@H]1O)COP(CP(OP(=O)(O)O)(=O)O)(=O)O,"InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1",CAWZRIXWFRFUQB-IOSLPCCCSA-N
BMGC_DG16360,BMG_DG209301,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(O)=O)COC(=O)C)[H])NC(CC#N)=O,"InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1",RRYMAQUWDLIUPV-BXKDBHETSA-N
BMGC_DG16361,BMG_DG209315,C[Se+](C)C,[Se+](C)(C)C,InChI=1S/C3H9Se/c1-4(2)3/h1-3H3/q+1,BWJVPBNHAHLFAZ-UHFFFAOYSA-N
BMGC_DG16362,BMG_DG209320,C[C@H]1C2=CC(=C(C=C2CCN1)O)O,Oc1cc2[C@H](C)NCCc2cc1O,"InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m0/s1",IBRKLUSXDYATLG-LURJTMIESA-N
BMGC_DG16363,BMG_DG209344,CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4CCCCC4)C,C(=O)(NC1CCCCC1)NS(c2ccc(CCN3C(c4c(C(C3=O)(C)C)ccc(OC)c4)=O)cc2)(=O)=O,"InChI=1S/C27H33N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33)",LLJFMFZYVVLQKT-UHFFFAOYSA-N
BMGC_DG16364,BMG_DG209346,CN1C2=C(NC1=O)NC(=O)N(C2=O)C,Cn1c(=O)[nH]c2[nH]c(=O)n(c2c1=O)C,"InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)",NOFNCLGCUJJPKU-UHFFFAOYSA-N
BMGC_DG16365,BMG_DG209348,,c1(nc(c[nH]1)CCN)C,,XDKYTXBAVJELDQ-UHFFFAOYSA-N
BMGC_DG16366,BMG_DG209399,C1CCC(CC1)N2C(=O)C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O,C1CCCC(C1)N2C(C(C(N(C2=O)C3CCCCC3)=O)C(=O)NCC(=O)O)=O,"InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24)",RUEYEZADQJCKGV-UHFFFAOYSA-N
BMGC_DG16367,BMG_DG209595,C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3SC5=CC=C(C=C5)Cl)N)O)OP(=O)(O1)O,,"InChI=1S/C16H15ClN5O6PS/c17-7-1-3-8(4-2-7)30-16-21-10-13(18)19-6-20-14(10)22(16)15-11(23)12-9(27-15)5-26-29(24,25)28-12/h1-4,6,9,11-12,15,23H,5H2,(H,24,25)(H2,18,19,20)/t9-,11-,12-,15-/m1/s1",AAZMHPMNAVEBRE-SDBHATRESA-N
BMGC_DG16368,BMG_DG209600,CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C,c12c([nH]c3c1cc(cc3)O)c(C)c4c(c2C)cncc4,"InChI=1S/C17H14N2O/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17/h3-8,19-20H,1-2H3",QZTWUDDGLIDXSE-UHFFFAOYSA-N
BMGC_DG16369,BMG_DG209606,CC(C)(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)O,c1cc(NC(C(C)(C)O)=O)cc(c1[N+]([O-])=O)C(F)(F)F,"InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)",YPQLFJODEKMJEF-UHFFFAOYSA-N
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BMGC_DG16391,BMG_DG210185,,n12c(ccc(c1)COc3ccc(cc3)[C@H](CC(O)=O)C#CC)nc(n2)-c4c(cccc4C)C,,FDIWCHYTKOPHPS-QFIPXVFZSA-N
BMGC_DG16392,BMG_DG210187,CCCN1C=C(C=N1)N2C3=C(C=CC(=C3F)Cl)C(=C2Cl)SC4=CC=CC(=C4F)C(=O)O,C(c1c(c(ccc1)Sc2c(n(c3c(c(ccc23)Cl)F)-c4cnn(c4)CCC)Cl)F)(=O)O,"InChI=1S/C21H15Cl2F2N3O2S/c1-2-8-27-10-11(9-26-27)28-18-13(6-7-14(22)17(18)25)19(20(28)23)31-15-5-3-4-12(16(15)24)21(29)30/h3-7,9-10H,2,8H2,1H3,(H,29,30)",NMDFAQXLJQRHMS-UHFFFAOYSA-N
BMGC_DG16393,BMG_DG210191,C1CN(C1)S(=O)(=O)NC(=O)C2=C(C=C(C(=C2)C3CC3)OCC45CC6CC(C4)CC(C6)C5)F,C(Oc1c(cc(c(c1)F)C(NS(=O)(=O)N2CCC2)=O)C3CC3)C45CC6CC(C4)CC(C5)C6,"InChI=1S/C24H31FN2O4S/c25-21-10-22(31-14-24-11-15-6-16(12-24)8-17(7-15)13-24)19(18-2-3-18)9-20(21)23(28)26-32(29,30)27-4-1-5-27/h9-10,15-18H,1-8,11-14H2,(H,26,28)",PTCBNPULJWGSML-UHFFFAOYSA-N
BMGC_DG16394,BMG_DG210322,C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCC(=O)N1,[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CO)=O)CO)=O)CC(N)=O)=O)CC(C)C)=O)C)=O)CCCNC(=N)N)=O)CCC(O)=O)=O)CC(C)C)=O)CCC(N)=O)=O)(NC(=O)[C@@H]1CCC(N1)=O)CCC(O)=O,"InChI=1S/C51H84N16O21/c1-22(2)17-30(47(84)65-32(19-36(53)71)48(85)66-33(20-68)49(86)67-34(21-69)50(87)88)63-40(77)24(5)57-41(78)25(7-6-16-56-51(54)55)59-43(80)29(11-15-39(75)76)62-46(83)31(18-23(3)4)64-45(82)27(8-12-35(52)70)60-44(81)28(10-14-38(73)74)61-42(79)26-9-13-37(72)58-26/h22-34,68-69H,6-21H2,1-5H3,(H2,52,70)(H2,53,71)(H,57,78)(H,58,72)(H,59,80)(H,60,81)(H,61,79)(H,62,83)(H,63,77)(H,64,82)(H,65,84)(H,66,85)(H,67,86)(H,73,74)(H,75,76)(H,87,88)(H4,54,55,56)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1",WZTIQQBMSJTRBR-WYKNNRPVSA-N
BMGC_DG16395,BMG_DG210352,C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCC(C(=O)N)S(=O)(=O)O)C)\C)OC)(NC(=O)O2)O,,"InChI=1S/C42H61ClN4O14S3/c1-23-12-11-13-31(58-10)42(53)22-29(59-39(52)45-42)24(2)36-41(6,61-36)32(21-34(49)47(8)27-19-26(18-23)20-28(57-9)35(27)43)60-38(51)25(3)46(7)33(48)14-16-40(4,5)63-62-17-15-30(37(44)50)64(54,55)56/h11-13,19-20,24-25,29-32,36,53H,14-18,21-22H2,1-10H3,(H2,44,50)(H,45,52)(H,54,55,56)/b13-11+,23-12+/t24-,25+,29+,30?,31-,32+,36+,41+,42+/m1/s1",ZOHXWSHGANNQGO-DSIKUUPMSA-N
BMGC_DG16396,BMG_DG210530,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@@H](C)CNC(=O)CC[C@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-][C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co],,"InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;/p-2/t31-,34+,35+,36+,37-,41+,52+,53+,56+,57-,59-,60-,61-,62-;4-,6-,7-,10-;/m01./s1",DFDCDQDATCDZSO-YGHJOQEPSA-L
BMGC_DG16397,BMG_DG210660,CC1(C(=C)N(C2=CC=CC=C21)CCCCCC(=O)O)C.Br,,"InChI=1S/C17H23NO2.BrH/c1-13-17(2,3)14-9-6-7-10-15(14)18(13)12-8-4-5-11-16(19)20;/h6-7,9-10H,1,4-5,8,11-12H2,2-3H3,(H,19,20);1H",SVMKEDBUSSWSFY-UHFFFAOYSA-N
BMGC_DG16398,BMG_DG210669,CC(C)(C)ONC(=O)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)F)C(=O)NCC2=CC=CC3=CC=CC=C32)NC(=O)CCC4=CC=CC=C4,,"InChI=1S/C37H41FN4O5/c1-37(2,3)47-42-34(44)23-32(40-33(43)21-18-25-10-5-4-6-11-25)36(46)41-31(22-26-16-19-29(38)20-17-26)35(45)39-24-28-14-9-13-27-12-7-8-15-30(27)28/h4-17,19-20,31-32H,18,21-24H2,1-3H3,(H,39,45)(H,40,43)(H,41,46)(H,42,44)/t31-,32-/m0/s1",DDEQIWLWJUDFKG-ACHIHNKUSA-N
BMGC_DG16399,BMG_DG210675,CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC4=CNC5=CC=CC=C54)[C@@H](C)O)CO)C)CCN)CCN)CC6=CNC7=CC=CC=C76)CCN)CCN)CCCN)CCN,C(c1c2c([nH]c1)cccc2)[C@H]3C(=O)N[C@@]([C@H](CC)C)(C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCN)C(=O)N[C@H](CCN)C(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc4c5c([nH]c4)cccc5)C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N6[C@@](C(N7[C@](C(N[C@](C(N3)=O)([C@@H](C)O)[H])=O)(CCC7)[H])=O)(CCC6)[H])=O)CO)=O)C)=O)CCN)=O)CCN)[H],"InChI=1S/C73H112N22O16/c1-5-38(2)58-70(108)88-52(24-30-79)65(103)83-47(17-10-25-74)62(100)85-49(21-27-76)63(101)86-51(23-29-78)66(104)89-53(33-41-35-80-45-15-8-6-13-43(41)45)67(105)87-50(22-28-77)64(102)84-48(20-26-75)61(99)82-39(3)60(98)91-55(37-96)72(110)95-32-12-19-57(95)73(111)94-31-11-18-56(94)69(107)93-59(40(4)97)71(109)90-54(68(106)92-58)34-42-36-81-46-16-9-7-14-44(42)46/h6-9,13-16,35-36,38-40,47-59,80-81,96-97H,5,10-12,17-34,37,74-79H2,1-4H3,(H,82,99)(H,83,103)(H,84,102)(H,85,100)(H,86,101)(H,87,105)(H,88,108)(H,89,104)(H,90,109)(H,91,98)(H,92,106)(H,93,107)/t38-,39-,40+,47-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57+,58-,59-/m0/s1",RIDRXGOBXZLKHZ-NZUANIILSA-N
BMGC_DG16400,BMG_DG210678,C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)O.[Na+].[Fe],,"InChI=1S/C10H16N2O8.Fe.Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;;+1/p-1",KWDVOSKBHNYJOX-UHFFFAOYSA-M
BMGC_DG16401,BMG_DG210743,,c1c(occ1C(C)(O)C)S(=O)(=O)[N-]C(=O)Nc2c3c(cc4c2CCC4)CCC3.[Na+],,LFQQNXFKPNZRFT-UHFFFAOYSA-M
BMGC_DG16402,BMG_DG210811,,,,
BMGC_DG16403,BMG_DG210943,CC1=NN(C=N1)C2=C(C=C(C=C2)NC3=NC4=C(CC[C@H]4C5=CC=C(C=C5)F)C(=N3)NC)OC,Fc1ccc([C@H]2c3c(CC2)c(NC)nc(Nc4ccc(-n5cnc(C)n5)c(OC)c4)n3)cc1,"InChI=1S/C24H24FN7O/c1-14-27-13-32(31-14)20-11-8-17(12-21(20)33-3)28-24-29-22-18(15-4-6-16(25)7-5-15)9-10-19(22)23(26-2)30-24/h4-8,11-13,18H,9-10H2,1-3H3,(H2,26,28,29,30)/t18-/m0/s1",NDVMOVOEROCRIO-SFHVURJKSA-N
BMGC_DG16404,BMG_DG210944,CC1=C(C=CO1)C(=O)NC2=NN(C3=CC=CC=C32)CC4=CC=C(C=C4)C(F)(F)F,c12c(cccc1)n(nc2NC(=O)c3ccoc3C)Cc4ccc(cc4)C(F)(F)F,"InChI=1S/C21H16F3N3O2/c1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24/h2-11H,12H2,1H3,(H,25,26,28)",XLLRLAABUFOJPC-UHFFFAOYSA-N
BMGC_DG16405,BMG_DG210946,CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NC[C@H]4CCNC[C@@H]4O,c1c(nc2n(c1NCc3ccccc3)ncc2C(C)C)NC[C@H]4CCNC[C@@H]4O,"InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1",YCVGLKWJKIKVBI-MJGOQNOKSA-N
BMGC_DG16406,BMG_DG211078,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@@H](CCC3=C)O)C,,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12?/t20-,23-,24-,25+,27-/m1/s1",JWUBBDSIWDLEOM-LQOOILFQSA-N
BMGC_DG16407,BMG_DG211102,C1C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CCCCN)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C6=CC=C(C=C6)F)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC7=CC=C(C=C7)O,O=C1[C@]2(N(C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@](CCCNC(N)=O)(NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H](CSSC[C@](NC([C@@H](NC([C@@](NC([C@@H](N1)Cc4ccc(cc4)O)=O)(CCCNC(=N)N)[H])=O)CCCNC(N)=O)=O)(C(N[C@@H](CCCNC(=N)N)C(N)=O)=O)[H])NC([C@H](Cc5cc6c(cc5)cccc6)NC([C@@H](NC([C@@H](NC(=O)c7ccc(cc7)F)CCCNC(=N)N)=O)CCCNC(=N)N)=O)=O)[H])CCC2)[H],"InChI=1S/C97H144FN33O19S2/c98-60-33-31-58(32-34-60)78(135)119-65(19-8-42-113-93(104)105)79(136)121-68(21-10-44-115-95(108)109)83(140)126-73(51-56-25-30-57-14-1-2-15-59(57)48-56)87(144)130-75-53-152-151-52-74(88(145)118-63(77(101)134)18-7-41-112-92(102)103)129-84(141)69(23-12-46-117-97(111)150)122-81(138)66(20-9-43-114-94(106)107)124-86(143)72(50-55-28-37-62(133)38-29-55)128-90(147)76-24-13-47-131(76)91(148)70(17-4-6-40-100)125-82(139)64(16-3-5-39-99)120-80(137)67(22-11-45-116-96(110)149)123-85(142)71(127-89(75)146)49-54-26-35-61(132)36-27-54/h1-2,14-15,25-38,48,63-76,132-133H,3-13,16-24,39-47,49-53,99-100H2,(H2,101,134)(H,118,145)(H,119,135)(H,120,137)(H,121,136)(H,122,138)(H,123,142)(H,124,143)(H,125,139)(H,126,140)(H,127,146)(H,128,147)(H,129,141)(H,130,144)(H4,102,103,112)(H4,104,105,113)(H4,106,107,114)(H4,108,109,115)(H3,110,116,149)(H3,111,117,150)/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-/m0/s1",JJVZSYKFCOBILL-MKMRYRNGSA-N
BMGC_DG16408,BMG_DG211122,,OCc1ccc(F)cc1F,,NIJZBWHOHNWJBX-UHFFFAOYSA-N
BMGC_DG16409,BMG_DG211143,C[C@H](CCCC(C)(C)O)[C@H]1CCC2[C@@]1(CCCC2=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)C,,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10?,21-11-/t18-,22-,23-,24?,25+,27-/m1/s1",GMRQFYUYWCNGIN-SYVMCHADSA-N
BMGC_DG16410,BMG_DG211153,CC1=CC(=C(N1C)C(=O)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=NC=C(C=N4)F)C5=CC=CC=C5,Cn1c(C)cc(-c2ccccc2)c1C(C(Nc3ccc(N4CCN(c5ncc(F)cn5)CC4)cc3)=O)=O,"InChI=1S/C28H27FN6O2/c1-19-16-24(20-6-4-3-5-7-20)25(33(19)2)26(36)27(37)32-22-8-10-23(11-9-22)34-12-14-35(15-13-34)28-30-17-21(29)18-31-28/h3-11,16-18H,12-15H2,1-2H3,(H,32,37)",SUFPWYYDCOKDLL-UHFFFAOYSA-N
BMGC_DG16411,BMG_DG211154,COC1=CC(=C(C(=C1Cl)C2=CC3=CN=C(N=C3C=C2)N[C@@H]4COCC[C@@H]4NC(=O)C=C)Cl)OC,C(C=C)(=O)N[C@@H]1[C@@H](COCC1)Nc2nc3ccc(cc3cn2)-c4c(c(cc(c4Cl)OC)OC)Cl,"InChI=1S/C24H24Cl2N4O4/c1-4-20(31)28-16-7-8-34-12-17(16)30-24-27-11-14-9-13(5-6-15(14)29-24)21-22(25)18(32-2)10-19(33-3)23(21)26/h4-6,9-11,16-17H,1,7-8,12H2,2-3H3,(H,28,31)(H,27,29,30)/t16-,17+/m0/s1",MGZKYOAQVGSSGC-DLBZAZTESA-N
BMGC_DG16412,BMG_DG211158,,[C@@](c1ccc(F)cc1F)(O)(Cn2nnnc2)C(c3ncc(-c4ccc(OC(F)(F)F)cc4)cc3)(F)F,,NCEHACHJIXJSPD-FQEVSTJZSA-N
BMGC_DG16413,BMG_DG211182,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,,"InChI=1S/C62H90N13O14P/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86)/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+/m1/s1",RHYVGCKRBKDRDX-RQJMMSBLSA-L
BMGC_DG16414,BMG_DG211190,,C[C@@H](O)CCc1ccc(O)cc1,,SFUCGABQOMYVJW-MRVPVSSYSA-N
BMGC_DG16415,BMG_DG211196,CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@@H]4CSSC[C@H](C(=O)N[C@@H](C(=O)N[C@H]5CSSC[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N4)CC6=CC=CC=C6)CC7=CC=C(C=C7)O)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC5=O)CO)CO)CC(C)C)CCSC)CC(=O)O)CCCCN)CCC(=O)O)CO)N,,"InChI=1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64+,66-,67-,68-,69+,70-,71-,72+,73-,74+,75-,76-,77+,78-,79+,80-,81-,82+,86-,87-,88-/m0/s1",ZUBDGKVDJUIMQQ-UBFCDGJISA-N
BMGC_DG16416,BMG_DG211197,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@H]2OS(=O)(=O)[O-])O[C@H]3[C@@H]([C@H](O[C@@H]([C@H]3OS(=O)(=O)[O-])O[C@H]4[C@@H]([C@H](O[C@@H]([C@H]4OS(=O)(=O)[O-])O[C@H]5[C@H]([C@@H]([C@H](O[C@@H]5OS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OP(=O)([O-])[O-],,"InChI=1S/C30H53O77PS16/c31-108(32,33)82-1-6-14(99-116(55,56)57)20(102-119(64,65)66)25(106-123(76,77)78)29(87-6)94-17-12(97-114(49,50)51)8(3-84-110(37,38)39)89-27(23(17)104-121(70,71)72)92-16-11(96-113(46,47)48)7(2-83-109(34,35)36)88-26(22(16)103-120(67,68)69)93-18-13(98-115(52,53)54)9(4-85-111(40,41)42)90-28(24(18)105-122(73,74)75)95-21-19(101-118(61,62)63)15(100-117(58,59)60)10(5-86-112(43,44)45)91-30(21)107-124(79,80)81/h6-30H,1-5H2,(H2,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)/p-18/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29-,30-/m1/s1",IPOGMIXXMPIMID-RIWCUPLTSA-A
BMGC_DG16417,BMG_DG211203,CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)NC2=CC(=C(C=C2)OC(F)(F)F)F,c1cc(cc(F)c1OC(F)(F)F)NC(=O)NC2CCN(C(=O)[C@H](CC)C)CC2,"InChI=1S/C18H23F4N3O3/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-15(14(19)10-13)28-18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1",LHRXHTKENPCGSZ-NSHDSACASA-N
BMGC_DG16418,BMG_DG211204,CC1=CC(=CC(=C1C2=CC=C(C=C2)C(C)(C)C)C)O[C@@H](CCC(F)(F)F)C3=CC=C(C=C3)C(=O)NCCC(=O)O,c1cc(ccc1C(C)(C)C)-c2c(cc(cc2C)O[C@H](c3ccc(cc3)C(NCCC(O)=O)=O)CCC(F)(F)F)C,"InChI=1S/C32H36F3NO4/c1-20-18-26(19-21(2)29(20)23-10-12-25(13-11-23)31(3,4)5)40-27(14-16-32(33,34)35)22-6-8-24(9-7-22)30(39)36-17-15-28(37)38/h6-13,18-19,27H,14-17H2,1-5H3,(H,36,39)(H,37,38)/t27-/m0/s1",FASLTMSUPQDLIB-MHZLTWQESA-N
BMGC_DG16419,BMG_DG211205,C[C@@H](C1=CC2=C(C(=CC=C2)C#CC3=CN(N=C3)C)C(=O)N1C4=CC=CC=C4)NC(=O)C5=C6N=CC=CN6N=C5N,c12ncccn1nc(c2C(=O)N[C@@H](C)c3n(c(c4c(cccc4c3)C#Cc5cnn(c5)C)=O)-c6ccccc6)N,"InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1",XUMALORDVCFWKV-IBGZPJMESA-N
BMGC_DG16420,BMG_DG211206,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CN=CN5)N,,"InChI=1S/C142H224N40O39S/c1-16-75(10)113(179-108(191)66-156-120(201)102(63-109(192)193)173-135(216)104(67-183)176-119(200)88(146)62-84-65-153-70-157-84)139(220)174-101(58-80-28-18-17-19-29-80)133(214)182-114(79(14)186)140(221)175-103(64-110(194)195)132(213)178-106(69-185)136(217)172-100(61-83-39-45-87(189)46-40-83)131(212)177-105(68-184)134(215)164-93(34-27-54-155-142(151)152)126(207)170-98(59-81-35-41-85(187)42-36-81)129(210)163-92(33-26-53-154-141(149)150)124(205)161-89(30-20-23-50-143)122(203)165-94(47-48-107(147)190)127(208)166-95(49-55-222-15)121(202)159-78(13)118(199)180-111(73(6)7)137(218)167-91(32-22-25-52-145)123(204)162-90(31-21-24-51-144)125(206)171-99(60-82-37-43-86(188)44-38-82)130(211)169-97(57-72(4)5)128(209)160-76(11)116(197)158-77(12)117(198)181-112(74(8)9)138(219)168-96(115(148)196)56-71(2)3/h17-19,28-29,35-46,65,70-79,88-106,111-114,183-189H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,190)(H2,148,196)(H,153,157)(H,156,201)(H,158,197)(H,159,202)(H,160,209)(H,161,205)(H,162,204)(H,163,210)(H,164,215)(H,165,203)(H,166,208)(H,167,218)(H,168,219)(H,169,211)(H,170,207)(H,171,206)(H,172,217)(H,173,216)(H,174,220)(H,175,221)(H,176,200)(H,177,212)(H,178,213)(H,179,191)(H,180,199)(H,181,198)(H,182,214)(H,192,193)(H,194,195)(H4,149,150,154)(H4,151,152,155)/t75-,76-,77-,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1",RZGBUJXSKLDAFE-QYHUGZLJSA-N
BMGC_DG16421,BMG_DG211207,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CN=CN6)N,,"InChI=1S/C203H331N63O53S/c1-18-109(12)162(262-156(279)99-230-170(290)147(95-157(280)281)255-193(313)149(100-267)259-168(288)124(211)93-119-97-224-103-231-119)198(318)257-145(88-114-40-20-19-21-41-114)191(311)266-163(113(16)270)199(319)258-148(96-158(282)283)190(310)261-151(102-269)194(314)253-144(92-118-59-67-123(274)68-60-118)188(308)260-150(101-268)192(312)243-134(51-38-83-227-202(220)221)180(300)251-142(90-116-55-63-121(272)64-56-116)186(306)242-132(49-36-81-225-200(216)217)176(296)237-127(44-24-31-76-206)173(293)245-137(70-72-153(213)276)182(302)246-138(73-85-320-17)171(291)233-112(15)167(287)263-159(106(6)7)195(315)247-130(47-27-34-79-209)175(295)238-129(46-26-33-78-208)177(297)252-143(91-117-57-65-122(273)66-58-117)187(307)249-140(87-105(4)5)184(304)234-110(13)165(285)232-111(14)166(286)264-160(107(8)9)197(317)256-139(86-104(2)3)169(289)229-98-155(278)235-126(43-23-30-75-205)172(292)239-133(50-37-82-226-201(218)219)179(299)250-141(89-115-53-61-120(271)62-54-115)185(305)241-128(45-25-32-77-207)174(294)244-136(69-71-152(212)275)181(301)240-135(52-39-84-228-203(222)223)183(303)265-161(108(10)11)196(316)248-131(48-28-35-80-210)178(298)254-146(94-154(214)277)189(309)236-125(164(215)284)42-22-29-74-204/h19-21,40-41,53-68,97,103-113,124-151,159-163,267-274H,18,22-39,42-52,69-96,98-102,204-211H2,1-17H3,(H2,212,275)(H2,213,276)(H2,214,277)(H2,215,284)(H,224,231)(H,229,289)(H,230,290)(H,232,285)(H,233,291)(H,234,304)(H,235,278)(H,236,309)(H,237,296)(H,238,295)(H,239,292)(H,240,301)(H,241,305)(H,242,306)(H,243,312)(H,244,294)(H,245,293)(H,246,302)(H,247,315)(H,248,316)(H,249,307)(H,250,299)(H,251,300)(H,252,297)(H,253,314)(H,254,298)(H,255,313)(H,256,317)(H,257,318)(H,258,319)(H,259,288)(H,260,308)(H,261,310)(H,262,279)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,280,281)(H,282,283)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109-,110-,111-,112-,113+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1",UFTCZKMBJOPXDM-XXFCQBPRSA-N
BMGC_DG16422,BMG_DG211228,CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC4=C(C=C3)N5[C@@H](OC6=C(C5=C4)C(=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)F)C9=CN=C(S9)C1CC1)NC(=O)OC,c1(cc2c(cc1)n3c(c2)-c4c(O[C@H]3c5cnc(s5)C6CC6)cc(cc4F)-c7cnc([nH]7)[C@H]8N(CCC8)C([C@H](C(C)C)NC(OC)=O)=O)-c9[nH]c(nc9)[C@@H]%10CCCN%10C([C@H](C(C)C)NC(OC)=O)=O,"InChI=1S/C49H55FN10O7S/c1-24(2)40(56-48(63)65-5)45(61)58-15-7-9-34(58)42-51-21-31(54-42)27-13-14-33-29(17-27)19-36-39-30(50)18-28(20-37(39)67-47(60(33)36)38-23-53-44(68-38)26-11-12-26)32-22-52-43(55-32)35-10-8-16-59(35)46(62)41(25(3)4)57-49(64)66-6/h13-14,17-26,34-35,40-41,47H,7-12,15-16H2,1-6H3,(H,51,54)(H,52,55)(H,56,63)(H,57,64)/t34-,35-,40-,41-,47-/m0/s1",AXWDHVUJXNOWCC-RAEGKSCOSA-N
BMGC_DG16423,BMG_DG211259,CC(C)[C@@H](C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CCCCCF,c1ccc2c(c1)c(nn2CCCCCF)C(N[C@H](C(N)=O)C(C)C)=O,"InChI=1S/C18H25FN4O2/c1-12(2)15(17(20)24)21-18(25)16-13-8-4-5-9-14(13)23(22-16)11-7-3-6-10-19/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H2,20,24)(H,21,25)/t15-/m0/s1",WCBYXIBEPFZUBG-HNNXBMFYSA-N
BMGC_DG16424,BMG_DG211281,,c12c(c3ccccc3[nH]1)ccc4c2cccc4,,MYKQKWIPLZEVOW-UHFFFAOYSA-N
BMGC_DG16425,BMG_DG211284,,N1(CCNCC1)c2c(cccc2)C,,WICKLEOONJPMEQ-UHFFFAOYSA-N
BMGC_DG16426,BMG_DG211303,CCN1[C@H]([C@@H]([C@]2(C13CCCCC3)C4=C(C=C(C=C4)Cl)NC2=O)C5=C(C(=CC=C5)Cl)F)C(=O)NC67CCC(CC6)(CC7)C(=O)O,c1c(Cl)cc2c(c1)[C@]3(C4(CCCCC4)N(CC)[C@@H](C(=O)NC56CCC(C(=O)O)(CC5)CC6)[C@@H]3c7cccc(Cl)c7F)C(=O)N2,"InChI=1S/C34H38Cl2FN3O4/c1-2-40-27(28(41)39-32-16-13-31(14-17-32,15-18-32)30(43)44)25(21-7-6-8-23(36)26(21)37)34(33(40)11-4-3-5-12-33)22-10-9-20(35)19-24(22)38-29(34)42/h6-10,19,25,27H,2-5,11-18H2,1H3,(H,38,42)(H,39,41)(H,43,44)/t25-,27+,31?,32?,34+/m0/s1",YJCZPJQGFSSFOL-MNZPCBJKSA-N
BMGC_DG16427,BMG_DG211339,,c1(C(=O)c2ccc(cc2)O)ccc(c(c1O)O)O,,ZRDYULMDEGRWRC-UHFFFAOYSA-N
BMGC_DG16428,BMG_DG211404,O.O.[O-][Si]([O-])([O-])O[Si]([O-])([O-])[O-].[Al+3].[Al+3],[Al+3].O.[Si]([O-])(O[Si]([O-])([O-])[O-])([O-])[O-].O.[Al+3],"InChI=1S/2Al.O7Si2.2H2O/c;;1-8(2,3)7-9(4,5)6;;/h;;;2*1H2/q2*+3;-6;;",KGOIAFZMMLWXLM-UHFFFAOYSA-N
BMGC_DG16429,BMG_DG211455,COC1COC(C(C1OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC2COC(C(C2OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC3COC(C(C3OS(=O)(=O)[O-])OC4C(C(C(C(O4)C(=O)[O-])OC)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC5COC(C(C5OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],,"InChI=1S/C29H48O50S9.10Na/c1-59-8-4-63-27(21(77-86(50,51)52)12(8)71-80(32,33)34)68-11-7-65-28(22(78-87(53,54)55)15(11)74-83(41,42)43)67-9-6-64-26(66-10-5-62-25(61-3)20(76-85(47,48)49)14(10)73-82(38,39)40)19(13(9)72-81(35,36)37)70-29-23(79-88(56,57)58)17(75-84(44,45)46)16(60-2)18(69-29)24(30)31;;;;;;;;;;/h8-23,25-29H,4-7H2,1-3H3,(H,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;;;;;;;/q;10*+1/p-10",MSJQCBORNZDNDU-UHFFFAOYSA-D
BMGC_DG16430,BMG_DG211464,C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CCO)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O)(C)O,,"InChI=1S/C42H73NO16/c1-22-18-27(16-17-44)36(59-40-34(47)33(43(8)9)35(24(3)56-40)58-32-21-42(7,51)39(49)26(5)55-32)37(52-10)28(45)19-30(46)53-23(2)14-12-11-13-15-29(22)57-31-20-41(6,50)38(48)25(4)54-31/h11-13,15,22-29,31-40,44-45,47-51H,14,16-21H2,1-10H3/b12-11+,15-13+/t22-,23-,24-,25+,26+,27+,28-,29+,31+,32+,33-,34-,35-,36+,37+,38+,39+,40+,41-,42-/m1/s1",CJKGNDLRMLFWEX-IUJNAFBCSA-N
BMGC_DG16431,BMG_DG211476,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O.[Na+],,"InChI=1S/C26H42N2O37S5.Na/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36;/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);/q;+1",JRTRSJGZMRQDHI-UHFFFAOYSA-N
BMGC_DG16432,BMG_DG211484,CC(=O)N1CCC2=C(C1)NN=C2C(=O)N3CCC(CC3)C4=C(C(=C(C=C4)F)F)C(F)(F)F,C(C)(=O)N1CCc2c(C1)[nH]nc2C(=O)N3CCC(CC3)c4c(c(c(cc4)F)F)C(F)(F)F,"InChI=1S/C21H21F5N4O2/c1-11(31)30-9-6-14-16(10-30)27-28-19(14)20(32)29-7-4-12(5-8-29)13-2-3-15(22)18(23)17(13)21(24,25)26/h2-3,12H,4-10H2,1H3,(H,27,28)",HAGSLCBZFRRBLS-UHFFFAOYSA-N
BMGC_DG16433,BMG_DG211485,C[C@@H]1CN(CCN1C)C2=CN=C(N=C2NC3=NN(C(=C3)C)C)NC4=NC(=C(C(=C4)C5CC5)F)C,C[C@@H]1CN(CCN1C)c2cnc(Nc3nc(C)c(F)c(c3)C4CC4)nc2Nc5nn(C)c(C)c5,"InChI=1S/C24H32FN9/c1-14-10-21(31-33(14)5)28-23-19(34-9-8-32(4)15(2)13-34)12-26-24(30-23)29-20-11-18(17-6-7-17)22(25)16(3)27-20/h10-12,15,17H,6-9,13H2,1-5H3,(H2,26,27,28,29,30,31)/t15-/m1/s1",HKPQFVAUXAZCDY-OAHLLOKOSA-N
BMGC_DG16434,BMG_DG211505,,c12c([C@@H](C[C@H](S1(=O)=O)C)NCC)cc(s2)S(=O)(=O)N,,IAVUPMFITXYVAF-HTRCEHHLSA-N
BMGC_DG16435,BMG_DG211508,C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O,[C@@H](C(=O)CO)([C@H]([C@H](O)CO)O)O,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1",BJHIKXHVCXFQLS-PQLUHFTBSA-N
BMGC_DG16436,BMG_DG211511,C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1,[C@]12([C@]([C@]3([C@]([C@@]4([C@](C[C@@H](O)CC4)([H])CC3)C)([H])CC1)[H])(C[C@@]5(O[C@]6([C@H]([C@]25[H])C)OC[C@H](CC6)C)[H])[H])C,"InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1",GMBQZIIUCVWOCD-WWASVFFGSA-N
BMGC_DG16437,BMG_DG211515,,c12c(cccc1)ncnc2,,JWVCLYRUEFBMGU-UHFFFAOYSA-N
BMGC_DG16438,BMG_DG211518,CN1C=C(N=C1)C[C@@H](C(=O)O)N,C([C@H](N)C(=O)O)c1ncn(c1)C,"InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1",BRMWTNUJHUMWMS-LURJTMIESA-N
BMGC_DG16439,BMG_DG211521,C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O,C([C@@H]1[C@]23CC(=C)[C@H](CC[C@@]2([H])[C@]45CC[C@H](O)[C@](C)([C@]41[H])C(=O)O5)C3)(=O)O,"InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1",RSQSQJNRHICNNH-NFMPGMCNSA-N
BMGC_DG16440,BMG_DG211525,C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,O[C@H]1CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC=C2C1)[H])[H])([C@@H](CCC(=C)C(C)C)C)[H])C)[H])C,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",INDVLXYUCBVVKW-PXBBAZSNSA-N
BMGC_DG16441,BMG_DG211527,,C(CS(O)(=O)=O)C(N)C(=O)O,,VBOQYPQEPHKASR-UHFFFAOYSA-N
BMGC_DG16442,BMG_DG211560,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)C(=C7[C@@]([C@@H](C(=N7)C=C8C([C@@H](C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co+2],,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+2;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",DQOCFCZRZOAIBN-WZHZPDAFSA-L
BMGC_DG16443,BMG_DG211562,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,O[C@@H]1[C@H](OP(O)(O)=O)[C@@H](COP(O)(=O)OP(O)(=O)OCC([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)(C)C)O[C@H]1n2cnc3c(ncnc32)N,"InChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,18-,19-,20+,24-/m1/s1",VNOYUJKHFWYWIR-ITIYDSSPSA-N
BMGC_DG16444,BMG_DG211563,C[C@H](CC(=O)O)O,C(O)(=O)C[C@H](O)C,"InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1",WHBMMWSBFZVSSR-GSVOUGTGSA-N
BMGC_DG16445,BMG_DG211584,,O1C[C@@]1(C([C@@H](NC([C@H](Cc2c3c([nH]c2)cccc3)NC(=O)[C@@H](C)NC(C=4Cc5c(C4C)cccc5)=O)=O)Cc6ccccc6)=O)C,,ADBUEVSHEJICCM-LZNHGOJSSA-N
BMGC_DG16446,BMG_DG211684,C[C@H]1/C=C/[C@@H]([C@](CC[C@H](CC(=O)O[C@@H]1/C(=C/C=C/[C@@H](C)C2=CC=CC=N2)/C)O)(C)O)OC(=O)N3CCN(CC3)C,C=1\[C@@H]([C@](CC[C@H](CC(O[C@@H]([C@H](\C1)C)/C(/C)=C/C=C/[C@H](c2ncccc2)C)=O)O)(C)O)OC(N3CCN(CC3)C)=O,"InChI=1S/C31H45N3O6/c1-22(26-11-6-7-16-32-26)9-8-10-23(2)29-24(3)12-13-27(39-30(37)34-19-17-33(5)18-20-34)31(4,38)15-14-25(35)21-28(36)40-29/h6-13,16,22,24-25,27,29,35,38H,14-15,17-21H2,1-5H3/b9-8+,13-12+,23-10+/t22-,24+,25-,27+,29-,31-/m1/s1",YOIQWBAHJZGRFW-WVRLKXNASA-N
BMGC_DG16447,BMG_DG211685,C(C[C@@H](C(=O)O)N)CC(=O)O,C([C@@H](C(O)=O)N)CCC(O)=O,"InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",OYIFNHCXNCRBQI-BYPYZUCNSA-N
BMGC_DG16448,BMG_DG211730,C1=CC(=CC=C1C(C(=O)O)N)O,Oc1ccc(cc1)C(N)C(O)=O,"InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)",LJCWONGJFPCTTL-UHFFFAOYSA-N
BMGC_DG16449,BMG_DG211742,C1=CC=C2C(=C1)C=C3C=CC=CC3=N2,n1c2c(cccc2)cc3c1cccc3,InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H,DZBUGLKDJFMEHC-UHFFFAOYSA-N
BMGC_DG16450,BMG_DG211745,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O,,"InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1",OJFDKHTZOUZBOS-CITAKDKDSA-N
BMGC_DG16451,BMG_DG211762,,[C@H]([C@H]([C@H]([C@@H](CO)O)O)O)(NC(C)=O)C=O,,MBLBDJOUHNCFQT-OSMVPFSASA-N
BMGC_DG16452,BMG_DG211796,CC(=CCNC1=NC=NC2=C1NC=N2)C,C(=C(C)C)CNc1ncnc2c1[nH]cn2,"InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)",HYVABZIGRDEKCD-UHFFFAOYSA-N
BMGC_DG16453,BMG_DG211797,,c1(c[nH]c2c1cccc2)C[C@@H](C(=O)O)NC(=O)CN,,AJHCSUXXECOXOY-NSHDSACASA-N
BMGC_DG16454,BMG_DG211806,CC1C(OC(=N1)N)C2=CC=CC=C2,,"InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)",LJQBMYDFWFGESC-UHFFFAOYSA-N
BMGC_DG16455,BMG_DG211809,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)N,O[C@H]1[C@H](n2c3c(nc2)c(N)ncn3)O[C@@H]([C@H]1O)COP(CP(=O)(O)O)(=O)O,"InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1",OLCWZBFDIYXLAA-IOSLPCCCSA-N
BMGC_DG16456,BMG_DG211811,CC(C)([C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O,o1c(=O)ccc2c1c3C[C@@H](C(O)(C)C)Oc3cc2,"InChI=1S/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3/t11-/m0/s1",YRAQEMCYCSSHJG-NSHDSACASA-N
BMGC_DG16457,BMG_DG211822,,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO)O)c3c(c(NCc4ccccc4)ncn3)nc1,,MRPKNNSABYPGBF-LSCFUAHRSA-N
BMGC_DG16458,BMG_DG211828,,c12c([nH]nc1)cccc2,,BAXOFTOLAUCFNW-UHFFFAOYSA-N
BMGC_DG16459,BMG_DG211842,,c12c([nH]cc1)nccc2,,MVXVYAKCVDQRLW-UHFFFAOYSA-N
BMGC_DG16460,BMG_DG211844,C1=CC(=C(C=C1C[C@H](C(=O)O)N)O)O,C([C@@H](Cc1cc(c(O)cc1)O)N)(=O)O,"InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m1/s1",WTDRDQBEARUVNC-ZCFIWIBFSA-N
BMGC_DG16461,BMG_DG211845,C1CC(=O)N[C@@H]1C2=CN=CC=C2,c1ncccc1[C@@H]2CCC(=O)N2,"InChI=1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12)/t8-/m0/s1",FXFANIORDKRCCA-QMMMGPOBSA-N
BMGC_DG16462,BMG_DG211853,,[C@H]1([C@H]([C@@H](OC[C@H]1O)Oc2cc3oc(=O)cc(c3cc2)C)O)O,,JWIYLOHVJDJZOQ-KAOXEZKKSA-N
BMGC_DG16463,BMG_DG211854,C1=CC=C2C(=C1)C=CO2,c1ccc2c(c1)cco2,InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H,IANQTJSKSUMEQM-UHFFFAOYSA-N
BMGC_DG16464,BMG_DG211868,CC1=CC(=O)OC2=C1C=CC(=C2)N,O=c1cc(c2ccc(N)cc2o1)C,"InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3",GLNDAGDHSLMOKX-UHFFFAOYSA-N
BMGC_DG16465,BMG_DG211872,CCCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C,C(Nc1c(cccc1C)C)([C@H]2N(CCCC)CCCC2)=O,"InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1",LEBVLXFERQHONN-INIZCTEOSA-N
BMGC_DG16466,BMG_DG211879,,O=C=Nc1c(cccc1C(C)C)C(C)C,,FEUFNKALUGDEMQ-UHFFFAOYSA-N
BMGC_DG16467,BMG_DG211888,,C([C@H]1C[C@]2(OC(=O)c3c(O)c(OC)c(OC)cc3[C@]2(O1)[H])[H])CC,,VAYQNUBOZLPGDH-OLXJLDBKSA-N
BMGC_DG16468,BMG_DG211889,C12=C(NC(=O)N=C1NC(=O)N2)N,O=c1nc(c2c([nH]1)[nH]c(=O)[nH]2)N,"InChI=1S/C5H5N5O2/c6-2-1-3(9-4(11)7-1)10-5(12)8-2/h(H5,6,7,8,9,10,11,12)",XFBOJHLYDJZYSP-UHFFFAOYSA-N
BMGC_DG16469,BMG_DG211891,,Nc1cccc(c1)B(O)O,,JMZFEHDNIAQMNB-UHFFFAOYSA-N
BMGC_DG16470,BMG_DG211908,,,,
BMGC_DG16471,BMG_DG211909,C(=O)[C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O,[C@H]1(C(=O)O[C@@]([C@@H]1O)([C@H](C=O)O)[H])O,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3+,4-,5+/m0/s1",UYUXSRADSPPKRZ-SKNVOMKLSA-N
BMGC_DG16472,BMG_DG211932,,c12c(OCO1)cccc2,,FTNJQNQLEGKTGD-UHFFFAOYSA-N
BMGC_DG16473,BMG_DG211937,CN1C(=O)CN=C(C2=C1C=CC(=C2)N)C3=CC=CC=C3F,c12C(=NCC(N(c1ccc(N)c2)C)=O)c3c(F)cccc3,"InChI=1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3",LTCDLGUFORGHGY-UHFFFAOYSA-N
BMGC_DG16474,BMG_DG211944,[Na+],[Na+],InChI=1S/Na/q+1,FKNQFGJONOIPTF-UHFFFAOYSA-N
BMGC_DG16475,BMG_DG211945,,c1ccc2ccccn12,,HOBCFUWDNJPFHB-UHFFFAOYSA-N
BMGC_DG16476,BMG_DG211950,,[C@@](CCCN(CCc1cc(OC)c(cc1)OC)C)(C(C)C)(C#N)c2cc(OC)c(cc2)OC,,SGTNSNPWRIOYBX-MHZLTWQESA-N
BMGC_DG16477,BMG_DG211969,C[C@H](C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O,c1(c(ccc(c1)[C@H](C(=O)O)C)-c2ccccc2)F,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1",SYTBZMRGLBWNTM-SNVBAGLBSA-N
BMGC_DG16478,BMG_DG211994,CN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O,N1([C@@H]([C@H]([C@@H]([C@H](C1)O)O)O)CO)C,"InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6-,7-/m1/s1",AAKDPDFZMNYDLR-XZBKPIIZSA-N
BMGC_DG16479,BMG_DG212006,C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)N2C[C@H](C[C@H]2C(=O)O)SC3=CC=CC=C3,N1(C([C@@H](CSC(=O)c2ccccc2)C)=O)[C@H](C(O)=O)C[C@@H](C1)Sc3ccccc3,"InChI=1S/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19+/m1/s1",IAIDUHCBNLFXEF-MNEFBYGVSA-N
BMGC_DG16480,BMG_DG212012,C1CC(CN(C1)CCC=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O,,"InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)",TXQKSMSLZVKQBI-UHFFFAOYSA-N
BMGC_DG16481,BMG_DG212013,CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=C(C=C(C=C3)Cl)N,c12c(c(=O)n(c(n1CCC)=O)CCC)[nH]c(n2)-c3c(cc(cc3)Cl)N,"InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)",SENJBFBVCXOUFE-UHFFFAOYSA-N
BMGC_DG16482,BMG_DG212049,,S=C=NC1CC1,,JGFBQFKZKSSODQ-UHFFFAOYSA-N
BMGC_DG16483,BMG_DG212067,,c1(ccc(cc1)CCOC)O,,FAYGEALAEQKPDI-UHFFFAOYSA-N
BMGC_DG16484,BMG_DG212076,,,,
BMGC_DG16485,BMG_DG212088,C1=NC=NN1,c1ncn[nH]1,"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)",NSPMIYGKQJPBQR-UHFFFAOYSA-N
BMGC_DG16486,BMG_DG212127,CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(C#C)OC(=O)C)C,[C@]12([C@@](C#C)(OC(=O)C)CC[C@]1([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CC[C@@H](C4)OC(=O)C)[H])[H])[H])C,"InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1",ONKUMRGIYFNPJW-KIEAKMPYSA-N
BMGC_DG16487,BMG_DG212130,C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C.O,S(c1c2NCC(Cc2ccc1)C)(N[C@H](C(N3[C@@H](C(=O)O)C[C@@H](CC3)C)=O)CCCNC(=N)N)(=O)=O.O,"InChI=1S/C23H36N6O5S.H2O/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19;/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26);1H2/t14-,15?,17+,18-;/m1./s1",AIEZTKLTLCMZIA-CZSXTPSTSA-N
BMGC_DG16488,BMG_DG212131,C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C,S(c1c2NCC(Cc2ccc1)C)(N[C@H](C(N3[C@@H](C(=O)O)C[C@@H](CC3)C)=O)CCCNC(=N)N)(=O)=O,"InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1",KXNPVXPOPUZYGB-IOVMHBDKSA-N
BMGC_DG16489,BMG_DG212133,CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O,N1(C(NCCC1)=O)[C@H](C(N[C@H](C[C@@H]([C@@H](NC(=O)COc2c(cccc2C)C)Cc3ccccc3)O)Cc4ccccc4)=O)C(C)C,"InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1",KJHKTHWMRKYKJE-SUGCFTRWSA-N
BMGC_DG16490,BMG_DG212134,CC1=C(C=C2CC[C@@](OC2=C1C)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O,c12c(c(C)c(cc1CC[C@](O2)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)O)C,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1",QUEDXNHFTDJVIY-DQCZWYHMSA-N
BMGC_DG16491,BMG_DG212136,CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C,C[C@@]12[C@@]3([C@]([C@]4([C@](C)(C[C@H]3O)[C@@H](C(C)=O)CC4)[H])(CCC1=CC(=O)CC2)[H])[H],"InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18+,19+,20-,21+/m0/s1",BFZHCUBIASXHPK-QJSKAATBSA-N
BMGC_DG16492,BMG_DG212146,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C,C[C@]12CCC(=O)C[C@@]1([H])CC[C@@]3([H])[C@]4([H])CC[C@H](C(=O)C)[C@@]4(C)CC[C@@]32[H],"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1",XMRPGKVKISIQBV-XWOJZHJZSA-N
BMGC_DG16493,BMG_DG212147,C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C,O[C@H]1CC[C@@]2(C=3CC[C@@]4([C@](CC[C@]4(C3CC[C@]2(C1)[H])[H])([C@@H](CCC=C(C)C)C)[H])C)C,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-21,23-24,28H,6,8-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1",CGSJXLIKVBJVRY-XTGBIJOFSA-N
BMGC_DG16494,BMG_DG212148,C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O,C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2=C1)[H])[H])([C@@](C)(O)[H])[H])C)[H])C)=O,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16+,17-,18+,19+,20+,21-/m1/s1",RWBRUCCWZPSBFC-SJOKZOANSA-N
BMGC_DG16495,BMG_DG212153,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O,n1c(c2c(nc1)n(cn2)[C@@H]3O[C@@H]([C@H]([C@H]3O)OP(O)(O)=O)COP(O)(=O)OP(OCC([C@H](C(=O)NCCC(NCCSC(CC)=O)=O)O)(C)C)(=O)O)N,"InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1",QAQREVBBADEHPA-IEXPHMLFSA-N
BMGC_DG16496,BMG_DG212165,COC1=CC2=C(C=C1)C3=C(C[C@H]4CCCCN4C3)C5=CC(=C(C=C52)OC)OC,C1CCC[C@]2(N1Cc3c4ccc(OC)cc4c5cc(OC)c(cc5c3C2)OC)[H],"InChI=1S/C24H27NO3/c1-26-16-7-8-17-19(11-16)21-13-24(28-3)23(27-2)12-20(21)18-10-15-6-4-5-9-25(15)14-22(17)18/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3/t15-/m1/s1",RSHYSOGXGSUUIJ-OAHLLOKOSA-N
BMGC_DG16497,BMG_DG212166,COC(=O)[C@@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O,[C@]12([C@@H]([C@H](CC[C@]1(CN3CCc4c5c([nH]c4[C@]3([H])C2)cccc5)[H])O)C(=O)OC)[H],"InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19-/m0/s1",BLGXFZZNTVWLAY-DKJBZYCGSA-N
BMGC_DG16498,BMG_DG212171,,N1([C@@H](CCCC1)c2cccnc2)C,,WHAIHNKQZOMXJJ-NSHDSACASA-N
BMGC_DG16499,BMG_DG212173,C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O,O=C1c2c(O[C@@H](C1)c3cc(O)c(cc3)O)cc(cc2)O,"InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2/t14-/m0/s1",MJBPUQUGJNAPAZ-AWEZNQCLSA-N
BMGC_DG16500,BMG_DG212185,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C,C[C@]12CC[C@@H](O)C[C@]1([H])CC[C@@]3([H])[C@]4([H])CC[C@H](C(=O)C)[C@@]4(C)CC[C@@]32[H],"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1",AURFZBICLPNKBZ-SYBPFIFISA-N
BMGC_DG16501,BMG_DG212186,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C,[C@]12([C@]([C@]3([C@]([C@@]4([C@@](C[C@@H](O)CC4)([H])CC3)C)([H])CC1)[H])(CC[C@@H]2C(=O)C)[H])C,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1",AURFZBICLPNKBZ-FZCSVUEKSA-N
BMGC_DG16502,BMG_DG212191,C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O,c12C(C[C@H](Oc1cc(cc2O)O[C@H]3[C@@H]([C@@H](O)[C@@H]([C@H](O3)CO)O)O)c4ccc(cc4)O)=O,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",DLIKSSGEMUFQOK-SFTVRKLSSA-N
BMGC_DG16503,BMG_DG212197,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)CO,C1=2[C@]3([C@@](CC[C@@]1(C)[C@@]4(CC[C@@]5([C@@]([C@]4(CC2)[H])(CC[C@H](O)C5(C)C)C)[H])C)(CC[C@H]([C@@H]3C)C)CO)[H],"InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1",XUARCIYIVXVTAE-ZAPOICBTSA-N
BMGC_DG16504,BMG_DG212198,,C[C@@]12[C@@]([H])([C@H](C)CCC(=O)O)CC[C@@]1([H])[C@]3([H])CC[C@@]4(CCCC[C@]4(C)[C@@]3([H])CC2)[H],,RPKLZQLYODPWTM-LVVAJZGHSA-N
BMGC_DG16505,BMG_DG212204,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C,[C@@]12([C@H](CC[C@]2([C@@]3(CC[C@@]4([C@@](CCC(C4)=O)(C)[C@@]3([H])CC1)[H])[H])[H])C(=O)C)C,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1",XMRPGKVKISIQBV-BJMCWZGWSA-N
BMGC_DG16506,BMG_DG212210,,o1c2cc(OC(=O)C)ccc2ccc1=O,,MGZOXZPZHVOXQB-UHFFFAOYSA-N
BMGC_DG16507,BMG_DG212211,C([C@H](C(=O)O)O)C(=O)O,C(C(=O)O)[C@H](C(=O)O)O,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1",BJEPYKJPYRNKOW-UWTATZPHSA-N
BMGC_DG16508,BMG_DG212214,CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O,C1(CC[C@@]2([C@]3([C@H](C[C@@]4([C@](CC[C@]4([C@@]3(CCC2=C1)[H])[H])(C(C)=O)O)C)O)[H])C)=O,"InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1",LCZBQMKVFQNSJR-UJPCIWJBSA-N
BMGC_DG16509,BMG_DG212215,,OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN,,XBGGUPMXALFZOT-VIFPVBQESA-N
BMGC_DG16510,BMG_DG212220,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC1)[H])(CCC(C4)=O)[H])[H])(CCC2=O)[H])C,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3/t13-,14+,15+,16-,18-/m0/s1",JRIZOGLBRPZBLQ-QXUSFIETSA-N
BMGC_DG16511,BMG_DG212226,CC(C)C[C@@H](C(=O)O)NC(=O)CN,C([C@@H](NC(CN)=O)CC(C)C)(=O)O,"InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1",DKEXFJVMVGETOO-LURJTMIESA-N
BMGC_DG16512,BMG_DG212227,COC1=CC=C(C=C1)C2=CN=C(O2)C3=CN=CC=C3,COc1ccc(-c2cnc(-c3cccnc3)o2)cc1,"InChI=1S/C15H12N2O2/c1-18-13-6-4-11(5-7-13)14-10-17-15(19-14)12-3-2-8-16-9-12/h2-10H,1H3",LHPXYPROPRFEQE-UHFFFAOYSA-N
BMGC_DG16513,BMG_DG212230,,[C@]12([C@@]([C@]3([C@](CC1)(c4ccc(cc4CC3)OC(=O)C)[H])[H])([H])CCC2=O)C,,KDPQTPZDVJHMET-XSYGEPLQSA-N
BMGC_DG16514,BMG_DG212236,C([C@H](C(=O)O)N)S,C([C@H](N)CS)(=O)O,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1",XUJNEKJLAYXESH-UWTATZPHSA-N
BMGC_DG16515,BMG_DG212243,,C1C[C@H](OC(C)=O)CC2=CC[C@]3([C@@]4(CC=C(C(=O)C)[C@@]4(C)CC[C@@]3([C@@]12C)[H])[H])[H],,MZWRIOUCMXPLKV-RFOVXIPZSA-N
BMGC_DG16516,BMG_DG212246,,c1(c(cc(cc1I)C[C@@H](C(=O)O)N)I)Oc2ccc(cc2)O,,ZHSOTLOTTDYIIK-ZDUSSCGKSA-N
BMGC_DG16517,BMG_DG212255,CC(CC1=CNC2=CC=CC=C21)N,c12c([nH]cc1CC(C)N)cccc2,"InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3",QSQQQURBVYWZKJ-UHFFFAOYSA-N
BMGC_DG16518,BMG_DG212261,CCC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC3=CC=CC=C3,C1(=O)N2[C@H](C(C)(S[C@@]2([C@@H]1NC(C(Oc3ccccc3)CC)=O)[H])C)C(O)=O,"InChI=1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/t11?,12-,13+,16-/m1/s1",HOCWPKXKMNXINF-XQERAMJGSA-N
BMGC_DG16519,BMG_DG212264,C1CC[C@H]([C@@H](C1)O)O,O[C@H]1[C@H](O)CCCC1,"InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1",PFURGBBHAOXLIO-PHDIDXHHSA-N
BMGC_DG16520,BMG_DG212271,,O=C1[C@@]2([C@@](CC1)([C@@]3(CCc4cc(ccc4[C@]3(CC2)[H])OC)[H])[H])C,,BCWWDWHFBMPLFQ-VXNCWWDNSA-N
BMGC_DG16521,BMG_DG212276,C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Ca+2],[Ca+2].OC[C@@H](O)[C@H]([C@@H]([C@H](C([O-])=O)O)O)O.OC[C@@H](O)[C@H]([C@@H]([C@H](C([O-])=O)O)O)O,"InChI=1S/2C6H12O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1",NEEHYRZPVYRGPP-IYEMJOQQSA-L
BMGC_DG16522,BMG_DG212277,,O[C@@H]1CCCC[C@@H]1O,,PFURGBBHAOXLIO-OLQVQODUSA-N
BMGC_DG16523,BMG_DG212278,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O,[nH]1cc(c2ccccc12)CC(C(=O)O)O,"InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)",XGILAAMKEQUXLS-UHFFFAOYSA-N
BMGC_DG16524,BMG_DG212283,,,,
BMGC_DG16525,BMG_DG212284,CC(C)C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1,[C@H](CC(C)C)(C(=O)NCC(=O)N)NC([C@H]1NCCC1)=O,"InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1",NOOJLZTTWSNHOX-UWVGGRQHSA-N
BMGC_DG16526,BMG_DG212288,CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,n1(cc(c(N)nc1=O)C)[C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2,"InChI=1S/C10H15N3O5/c1-4-2-13(10(17)12-8(4)11)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,3H2,1H3,(H2,11,12,17)/t5-,6-,7-,9-/m1/s1",ZAYHVCMSTBRABG-JXOAFFINSA-N
BMGC_DG16527,BMG_DG212292,CCCCCCCCCC(=O)OCC(CO)O,C(C(COC(CCCCCCCCC)=O)O)O,"InChI=1S/C13H26O4/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14/h12,14-15H,2-11H2,1H3",LKUNXBRZDFMZOK-UHFFFAOYSA-N
BMGC_DG16528,BMG_DG212293,,C1CC([C@]2([C@](C1)([C@@]3([C@@](CC2)(OC(C3)=O)C)[H])C)[H])(C)C,,IMKJGXCIJJXALX-SHUKQUCYSA-N
BMGC_DG16529,BMG_DG212304,C[C@@H]([C@@H](C1=CC=CC=C1)O)NC,[C@@H](c1ccccc1)([C@@H](NC)C)O,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1",KWGRBVOPPLSCSI-WPRPVWTQSA-N
BMGC_DG16530,BMG_DG212307,C[C@H](CN1CCOCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N4CCCC4,C(C([C@@H](CN1CCOCC1)C)(c2ccccc2)c3ccccc3)(N4CCCC4)=O,"InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3/t21-/m1/s1",INUNXTSAACVKJS-OAQYLSRUSA-N
BMGC_DG16531,BMG_DG212312,,[C@H](C(=O)O)(NC(=O)CN)Cc1ccccc1,,JBCLFWXMTIKCCB-VIFPVBQESA-N
BMGC_DG16532,BMG_DG212320,,C(C#N)(C#N)=Cc1ccc(cc1)O,,FNCOVSWSZZVFBQ-UHFFFAOYSA-N
BMGC_DG16533,BMG_DG212326,C1=CC(=C(C=C1[C@H]([C@@H](C(=O)O)N)O)O)O,[C@H]([C@@H](c1cc(O)c(cc1)O)O)(C(=O)O)N;c1([C@H]([C@@H](C(O)=O)N)O)cc(c(O)cc1)O,"InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m0/s1",QXWYKJLNLSIPIN-JGVFFNPUSA-N
BMGC_DG16534,BMG_DG212372,,C([C@]12O[C@H]1[C@@H](OC(c3ccc(O)cc3)=O)[C@]4([H])C=CO[C@@H](O[C@@]5([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@@]42[H])O,,UXSACQOOWZMGSE-RWORTQBESA-N
BMGC_DG16535,BMG_DG212377,C1=C(C=C(C(=C1I)O)I)C[C@@H](C(=O)O)N,c1(c(cc(cc1I)C[C@@H](C(=O)O)N)I)O,"InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1",NYPYHUZRZVSYKL-ZETCQYMHSA-N
BMGC_DG16536,BMG_DG212381,CC(=O)[C@]1(CC[C@@H]2[C@@]1(CCC3=C4CCC(=O)C=C4CC[C@@H]23)C)C,[C@]12([C@](CC[C@]1([C@@]3(CCC=4C(=C3CC2)CCC(C4)=O)[H])[H])(C(=O)C)C)C,"InChI=1S/C21H28O2/c1-13(22)20(2)11-9-19-18-6-4-14-12-15(23)5-7-16(14)17(18)8-10-21(19,20)3/h12,18-19H,4-11H2,1-3H3/t18-,19+,20-,21+/m1/s1",JWAHBTQSSMYISL-MHTWAQMVSA-N
BMGC_DG16537,BMG_DG212385,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,[C@H](C(=O)O)(NC(=O)N)CC(=O)O,"InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1",HLKXYZVTANABHZ-REOHCLBHSA-N
BMGC_DG16538,BMG_DG212391,C[C@H]1[C@@H](C[C@H](O1)C[N+](C)(C)C)O,[N+](C[C@@H]1C[C@@H](O)[C@@H](O1)C)(C)(C)C,"InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1",UQOFGTXDASPNLL-XHNCKOQMSA-N
BMGC_DG16539,BMG_DG212393,,,,
BMGC_DG16540,BMG_DG212402,C1=CC=C2C=CC=CC2=C1,c12c(cccc1)cccc2,InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,UFWIBTONFRDIAS-UHFFFAOYSA-N
BMGC_DG16541,BMG_DG212412,,CCc1nc(N)nc(N)c1-c2ccccc2,,XREDUPOVEQDQQS-UHFFFAOYSA-N
BMGC_DG16542,BMG_DG212419,,n1c([nH]c2c1cc(c(C)c2)C)N,,YPFQISHSXCFZMU-UHFFFAOYSA-N
BMGC_DG16543,BMG_DG212423,,C(N(CC(=O)O)C)(=O)CN,,VYAMLSCELQQRAE-UHFFFAOYSA-N
BMGC_DG16544,BMG_DG212431,,CC(C)Cc1c(O)cccc1,,NFIDBGJMFKNGGQ-UHFFFAOYSA-N
BMGC_DG16545,BMG_DG212433,CCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C)O,c12[C@]3([C@@](CCC(=C3)C)(C(Oc1cc(cc2O)CCC)(C)C)[H])[H],"InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1",ZROLHBHDLIHEMS-HUUCEWRRSA-N
BMGC_DG16546,BMG_DG212436,C1CN2CCC1C(C2)N3C4=CC=CC=C4CCC5=CC=CC=C53,C12CCN(CC1)CC2N3c4c(CCc5c3cccc5)cccc4,"InChI=1S/C21H24N2/c1-3-7-19-16(5-1)9-10-17-6-2-4-8-20(17)23(19)21-15-22-13-11-18(21)12-14-22/h1-8,18,21H,9-15H2",JCBQCKFFSPGEDY-UHFFFAOYSA-N
BMGC_DG16547,BMG_DG212442,CC(C)C(CCCNC)(C#N)C1=CC(=C(C=C1)OC)OC,C(CCCNC)(C(C)C)(C#N)c1cc(OC)c(OC)cc1,"InChI=1S/C17H26N2O2/c1-13(2)17(12-18,9-6-10-19-3)14-7-8-15(20-4)16(11-14)21-5/h7-8,11,13,19H,6,9-10H2,1-5H3",WLOBUUJURNEQCL-UHFFFAOYSA-N
BMGC_DG16548,BMG_DG212446,C1[C@H](NCS1)C(=O)O,[C@H]1(CSCN1)C(O)=O,"InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1",DZLNHFMRPBPULJ-VKHMYHEASA-N
BMGC_DG16549,BMG_DG212447,,c1ccc2cc(C#N)cnc2c1,,QZZYYBQGTSGDPP-UHFFFAOYSA-N
BMGC_DG16550,BMG_DG212452,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)OC4=CC5=C(CCC5)C=C4)C(=O)O)C,N12[C@@]([C@H](NC(C(C(Oc3cc4c(CCC4)cc3)=O)c5ccccc5)=O)C1=O)(SC([C@@H]2C(O)=O)(C)C)[H],"InChI=1S/C26H26N2O6S/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32)/t18?,19-,20+,23-/m1/s1",JIRBAUWICKGBFE-MNRDOXJOSA-N
BMGC_DG16551,BMG_DG212464,C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O,,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",FTVWIRXFELQLPI-UHFFFAOYSA-N
BMGC_DG16552,BMG_DG212469,NN,NN,InChI=1S/H4N2/c1-2/h1-2H2,OAKJQQAXSVQMHS-UHFFFAOYSA-N
BMGC_DG16553,BMG_DG212472,,n1cn(C)c2c1n(c(=O)n(CC)c2=O)C,,KRVVZPXPQUPXJE-UHFFFAOYSA-N
BMGC_DG16554,BMG_DG212473,C(#N)[S-],C([S-])#N,InChI=1S/CHNS/c2-1-3/h3H/p-1,ZMZDMBWJUHKJPS-UHFFFAOYSA-M
BMGC_DG16555,BMG_DG212495,C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F,N1(c2c(C(c3c(F)cccc3)=NCC1=O)cc(cc2)Cl)CC(F)(F)F,"InChI=1S/C17H11ClF4N2O/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2",YFSXBSRGIRSXAD-UHFFFAOYSA-N
BMGC_DG16556,BMG_DG212515,CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O,C(C(=O)OCCN(CC)CC)(c1ccccc1)(c2ccccc2)O,"InChI=1S/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3",IVQOFBKHQCTVQV-UHFFFAOYSA-N
BMGC_DG16557,BMG_DG212522,C1CCN(CC1)C2(CCN(CC2)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N,C1(N2CCCCC2)(C(=O)N)CCN(CC1)CCC(C#N)(c3ccccc3)c4ccccc4,"InChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)",IHEHEFLXQFOQJO-UHFFFAOYSA-N
BMGC_DG16558,BMG_DG212561,C[C@@H]1CN(C[C@@H](O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C,c1cc(C(C)(C)C)ccc1CC(C)CN2C[C@@H](C)O[C@@H](C)C2,"InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+",RYAUSSKQMZRMAI-ALOPSCKCSA-N
BMGC_DG16559,BMG_DG212566,C1=CC(=C(C(=C1)O)C(=O)O)O,c1(c(cccc1O)O)C(O)=O,"InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)",AKEUNCKRJATALU-UHFFFAOYSA-N
BMGC_DG16560,BMG_DG212571,[Ni+2],[Ni+2],InChI=1S/Ni/q+2,VEQPNABPJHWNSG-UHFFFAOYSA-N
BMGC_DG16561,BMG_DG212574,,Cc1ccc(NC(=O)N2c3ccccc3Sc4ccccc24)cc1,,AGRMZLFVKVZKOP-UHFFFAOYSA-N
BMGC_DG16562,BMG_DG212587,,c1(cc2c(cc1OC)CCN3C2CC(C(C3)CC(C)C)(O)CC)OC,,TUNMGCULOKMBNJ-UHFFFAOYSA-N
BMGC_DG16563,BMG_DG212602,,c1(-c2ccccc2)c(c(ccc1)C(O)=O)O,,ZJWUEJOPKFYFQD-UHFFFAOYSA-N
BMGC_DG16564,BMG_DG212623,CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)C,[C@H]1(c2c(OC([C@H]1O)(C)C)ccc(C#N)c2)N3C(=O)CCC3,"InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m1/s1",TVZCRIROJQEVOT-CABCVRRESA-N
BMGC_DG16565,BMG_DG212624,,c1(S(=O)(=O)N)sc2cc(N)ccc2n1,,OFSGGVHHSMAUEI-UHFFFAOYSA-N
BMGC_DG16566,BMG_DG212640,C(C(C(=O)O)S)(C(=O)O)S,,"InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)",ACTRVOBWPAIOHC-UHFFFAOYSA-N
BMGC_DG16567,BMG_DG212659,CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O,,"InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13+,14+,15-,16-/m1/s1",YUDPTGPSBJVHCN-DZQJYWQESA-N
BMGC_DG16568,BMG_DG212667,C1=CC(=CN=C1)C(=O)N,C(c1cnccc1)(=O)N,"InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)",DFPAKSUCGFBDDF-UHFFFAOYSA-N
BMGC_DG16569,BMG_DG212669,,C1(C(N(C)C(N(C1=O)C)=O)=O)=Cc2ccc(cc2)N(C)C,,RRRGNIDYMUNGFN-UHFFFAOYSA-N
BMGC_DG16570,BMG_DG212672,CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC,C(c1cc(OC)c(cc1)O)(N(CC)CC)=O,"InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3",BQJODPIMMWWMFC-UHFFFAOYSA-N
BMGC_DG16571,BMG_DG212692,C1=CC(=CN=C1)C(=O)[O-],,"InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p-1",PVNIIMVLHYAWGP-UHFFFAOYSA-M
BMGC_DG16572,BMG_DG212705,CC(C)(C)C(=O)NNCC1=CC=CC=C1,C(C(C)(C)C)(=O)NNCc1ccccc1,"InChI=1S/C12H18N2O/c1-12(2,3)11(15)14-13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)",FWWDFDMCZLOXQI-UHFFFAOYSA-N
BMGC_DG16573,BMG_DG212717,C1=CC(=CN=C1)C(=O)O,c1cc(cnc1)C(=O)O,"InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)",PVNIIMVLHYAWGP-UHFFFAOYSA-N
BMGC_DG16574,BMG_DG212768,CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],P(Oc1ccc([N+]([O-])=O)cc1)(OCC)(OCC)=O,"InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3",WYMSBXTXOHUIGT-UHFFFAOYSA-N
BMGC_DG16575,BMG_DG212778,,S(c1cc([N+]([O-])=O)c(F)cc1)(c2cc([N+]([O-])=O)c(F)cc2)(=O)=O,,KHAWDEWNXJIVCJ-UHFFFAOYSA-N
BMGC_DG16576,BMG_DG212789,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)(O)O)O)C)O)F)C,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)F)(C=CC(=O)C4)C)[H])(C[C@H]([C@@]2(C(COP(=O)(O)O)=O)O)C)[H])C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",VQODGRNSFPNSQE-CXSFZGCWSA-N
BMGC_DG16577,BMG_DG212801,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O,[C@]12([C@]([C@@]3(CCc4c([C@]3(CC1)[H])ccc(O)c4)[H])(CC[C@@H]2OC(=O)CCC5CCCC5)[H])C,"InChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1",UOACKFBJUYNSLK-XRKIENNPSA-N
BMGC_DG16578,BMG_DG212815,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)C)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].[Na+],c1(S([O-])(=O)=O)c(N)c2c(ccc(c2O)/N=N/c3c(cc(cc3)-c4ccc(\N=N\c5c(O)c6c(c(cc(c6N)S([O-])(=O)=O)S([O-])(=O)=O)cc5)c(c4)C)C)c(S([O-])(=O)=O)c1.[Na+].[Na+].[Na+].[Na+],"InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",ATNOAWAQFYGAOY-GPTZEZBUSA-J;ATNOAWAQFYGAOY-UHFFFAOYSA-J
BMGC_DG16579,BMG_DG212831,,O1[C@@H](n2c3c(c(N)ncn3)nc2)[C@H](OP(=O)(O)O)[C@H](O)[C@H]1CO,,QDFHPFSBQFLLSW-KQYNXXCUSA-N
BMGC_DG16580,BMG_DG212832,C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F,N1(C(c2ccc(cc2)F)c3ccc(cc3)F)CCN(CC1)C/C=C/c4ccccc4,"InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+",SMANXXCATUTDDT-QPJJXVBHSA-N
BMGC_DG16581,BMG_DG212836,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O,n1c(c2c(nc1)n(cn2)[C@@H]3O[C@@H]([C@H]([C@H]3O)OP(O)(O)=O)COP(O)(=O)OP(OCC([C@H](C(=O)NCCC(NCCSC(CCCCCCCCCCCCCCCCC)=O)=O)O)(C)C)(=O)O)N,"InChI=1S/C39H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/t28-,32-,33-,34+,38-/m1/s1",SIARJEKBADXQJG-LFZQUHGESA-N
BMGC_DG16582,BMG_DG212837,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4=O)C)O,C1(=O)CC[C@@]2([C@]3([C@H](C[C@@]4(C(CC[C@]4([C@@]3(CCC2=C1)[H])[H])=O)C)O)[H])C,"InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1",WSCUHXPGYUMQEX-KCZNZURUSA-N
BMGC_DG16583,BMG_DG212850,CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,[C@]12(C(=CC(CC1)=O)CC[C@]3([C@@]4(CC[C@@H]([C@]4(CC[C@]23[H])C)OC(=O)CCCCCC)[H])[H])C,"InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1",VOCBWIIFXDYGNZ-IXKNJLPQSA-N
BMGC_DG16584,BMG_DG212855,CN1CCN(CC1)CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C,C(\CCN1CCN(C)CC1)=C\2/c3c(ccc(c3)S(N(C)C)(=O)=O)Sc4c2cccc4,"InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8+",GFBKORZTTCHDGY-UFWORHAWSA-N
BMGC_DG16585,BMG_DG212856,CN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C,S(c1cc2/C(/c3ccccc3Sc2cc1)=C\CCN4CCN(CC4)C)(N(C)C)(=O)=O,"InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-",GFBKORZTTCHDGY-UWVJOHFNSA-N
BMGC_DG16586,BMG_DG212861,C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO,N1(c2c(C=Cc3c1cccc3)cccc2)CCCN4CCN(CC4)CCO,"InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2",YNZFUWZUGRBMHL-UHFFFAOYSA-N
BMGC_DG16587,BMG_DG212875,CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCN(C)C,N1(C(c2c(cccc2)N(c3c1cccc3)C)=O)CCN(C)C,"InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3",QPGGEKPRGVJKQB-UHFFFAOYSA-N
BMGC_DG16588,BMG_DG212877,,,,
BMGC_DG16589,BMG_DG212879,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O,[C@]1([H])([C@H](C)O)[C@@]2([C@]([C@@]3(CC=C4C[C@H](CC[C@@]4([C@]3(CC2)[H])C)O)[H])(CC1)[H])C,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15-,16-,17+,18-,19-,20-,21+/m0/s1",QAAQQTDJEXMIMF-YZXCLFAISA-N
BMGC_DG16590,BMG_DG212882,CC(=O)[C@]12[C@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C,,"InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1",UQVIXFCYKBWZPJ-XXHSLLPRSA-N
BMGC_DG16591,BMG_DG212883,CN1CCCC1C2=CN=CC=C2,,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N
BMGC_DG16592,BMG_DG212890,CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,[C@H]1([C@H]([C@H]([C@H](O[C@H]1OC)CO)O)O)O,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1",HOVAGTYPODGVJG-VOQCIKJUSA-N
BMGC_DG16593,BMG_DG212910,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO)O)c([nH]c(c(c1)F)=O)=O,"InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1",FHIDNBAQOFJWCA-UAKXSSHOSA-N
BMGC_DG16594,BMG_DG212915,CC1(C2=CC=CC=C2N(C3=CC=CC=C31)CCCN(C)C)C,N1(c2ccccc2C(c3c1cccc3)(C)C)CCCN(C)C,"InChI=1S/C20H26N2/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20/h5-8,10-13H,9,14-15H2,1-4H3",RYQOGSFEJBUZBX-UHFFFAOYSA-N
BMGC_DG16595,BMG_DG212917,,,,
BMGC_DG16596,BMG_DG212920,CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C,S(c1cc2N(c3ccccc3Sc2cc1)CCCN4CCN(CC4)C)(N(C)C)(=O)=O,"InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3",VZYCZNZBPPHOFY-UHFFFAOYSA-N
BMGC_DG16597,BMG_DG212926,[N+](=O)([O-])[O-],[N+]([O-])(=O)[O-],InChI=1S/NO3/c2-1(3)4/q-1,NHNBFGGVMKEFGY-UHFFFAOYSA-N
BMGC_DG16598,BMG_DG212933,C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,O[C@H]1[C@@H](O[C@@H]([C@H]1O)CO)N2C(=O)NC(CC2)=O,"InChI=1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1",ZPTBLXKRQACLCR-XVFCMESISA-N
BMGC_DG16599,BMG_DG212939,CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C,C1[C@@H](C([C@]2([C@](C1)([C@@]3([C@@](CC2)([C@]4(C(=CC3=O)[C@]5([C@@](CC4)(CC[C@@](C5)(C(O)=O)C)C)[H])C)C)[H])C)[H])(C)C)OC(C)=O,"InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1",FTQDJVZNPJRVPG-XWEVEMRCSA-N
BMGC_DG16600,BMG_DG212944,CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N,n1(c2c(nc[nH]2)c(n(c1=O)C)=O)C.NCCN.n1(c2c(nc[nH]2)c(n(c1=O)C)=O)C,"InChI=1S/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2",FQPFAHBPWDRTLU-UHFFFAOYSA-N
BMGC_DG16601,BMG_DG212964,CCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC,Oc1ccc(CCC(=O)CCCCCCC)cc1OC,"InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3",CZNLTCTYLMYLHL-UHFFFAOYSA-N
BMGC_DG16602,BMG_DG212965,,c1(-c2nc3ccccc3[nH]2)c(oc4c(c1)ccc(c4)N(CC)CC)=O,,GOLORTLGFDVFDW-UHFFFAOYSA-N
BMGC_DG16603,BMG_DG212973,[N+](=O)(O)[O-],[N+](=O)(O)[O-],"InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)",GRYLNZFGIOXLOG-UHFFFAOYSA-N
BMGC_DG16604,BMG_DG212995,C1=CC=C2C(=C1)C3(C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)O)OS2(=O)=O,,"InChI=1S/C19H12O8S/c20-12-7-5-10-17(15(12)22)26-18-11(6-8-13(21)16(18)23)19(10)9-3-1-2-4-14(9)28(24,25)27-19/h1-8,20-23H",KUQNCHZOCSYKOR-UHFFFAOYSA-N
BMGC_DG16605,BMG_DG212996,C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO)O)c(nc(nc1)N)=O,"InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1",NMUSYJAQQFHJEW-KVTDHHQDSA-N
BMGC_DG16606,BMG_DG212997,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NN,,"InChI=1S/C12H15N3O2S/c1-15(2)11-7-3-6-10-9(11)5-4-8-12(10)18(16,17)14-13/h3-8,14H,13H2,1-2H3",KPQYDVAFRDWIBW-UHFFFAOYSA-N
BMGC_DG16607,BMG_DG213001,,c1(c(c(cc(c1)Cl)Cl)O)C(=O)O,,CNJGWCQEGROXEE-UHFFFAOYSA-N
BMGC_DG16608,BMG_DG213005,,n1ccccc1N2CCNCC2,,GZRKXKUVVPSREJ-UHFFFAOYSA-N
BMGC_DG16609,BMG_DG213007,,c1ccc2c(c1S(N)(=O)=O)nccc2,,ZTYZEUXZHGOXRT-UHFFFAOYSA-N
BMGC_DG16610,BMG_DG213009,C1=CC(=C(C=C1Cl)C(=O)O)O,c1(c(ccc(c1)Cl)O)C(O)=O,"InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)",NKBASRXWGAGQDP-UHFFFAOYSA-N
BMGC_DG16611,BMG_DG213010,,O=C(/N=c/1\nc[nH][nH]1)c2c(O)cccc2,,MZZYGYNZAOVRTG-UHFFFAOYSA-N
BMGC_DG16612,BMG_DG213018,,c12c(c(C)c(c(c1C)C)OP(=O)(O)O)CC[C@](O2)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C,,JUIUXBHZFNHITF-IEOSBIPESA-N
BMGC_DG16613,BMG_DG213044,CCN(C)[C@@H](C)[C@@H](C1=CC=CC=C1)O,[C@H]([C@@H](N(CC)C)C)(c1ccccc1)O,"InChI=1S/C12H19NO/c1-4-13(3)10(2)12(14)11-8-6-5-7-9-11/h5-10,12,14H,4H2,1-3H3/t10-,12-/m0/s1",IRVLBORJKFZWMI-JQWIXIFHSA-N
BMGC_DG16614,BMG_DG213045,CC1=C(C(=O)OC2=C1C=CC(=C2)OP(=O)(OCCCl)OCCCl)Cl,c1(c(c(C)c2c(o1)cc(OP(=O)(OCCCl)OCCCl)cc2)Cl)=O,"InChI=1S/C14H14Cl3O6P/c1-9-11-3-2-10(8-12(11)22-14(18)13(9)17)23-24(19,20-6-4-15)21-7-5-16/h2-3,8H,4-7H2,1H3",KULDXINYXFTXMO-UHFFFAOYSA-N
BMGC_DG16615,BMG_DG213055,,c1cc(/N=N/N(C)C)ccc1S(=O)(=O)N,,IFQFVDMOGCFZIF-ZHACJKMWSA-N
BMGC_DG16616,BMG_DG213059,CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)O,c1(c(ccc(c1)C(F)(F)F)C(O)=O)OC(C)=O,"InChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)",RMWVZGDJPAKBDE-UHFFFAOYSA-N
BMGC_DG16617,BMG_DG213064,CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-],C(CCCCCCCCCC(=O)NCCC[N+]([O-])(C)C)C,"InChI=1S/C17H36N2O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2,3)21/h4-16H2,1-3H3,(H,18,20)",JNGWKQJZIUZUPR-UHFFFAOYSA-N
BMGC_DG16618,BMG_DG213065,N(=O)[O-],O=N[O-],"InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1",IOVCWXUNBOPUCH-UHFFFAOYSA-M
BMGC_DG16619,BMG_DG213093,N#N,N#N,InChI=1S/N2/c1-2,IJGRMHOSHXDMSA-UHFFFAOYSA-N
BMGC_DG16620,BMG_DG213094,C1=CC=C(C=C1)C(CNC2=CC=CC=N2)O,c1(ncccc1)NCC(c2ccccc2)O,"InChI=1S/C13H14N2O/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h1-9,12,16H,10H2,(H,14,15)",ZEAJXCPGHPJVNP-UHFFFAOYSA-N
BMGC_DG16621,BMG_DG213095,CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)N,,"InChI=1S/C17H31N3O4/c1-5-10(3)13(18)16(22)20-9-7-8-12(20)15(21)19-14(17(23)24)11(4)6-2/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1",JNTMAZFVYNDPLB-PEDHHIEDSA-N
BMGC_DG16622,BMG_DG213098,,c12c(cc(cc1)Cl)nccc2N,,NDRZSRWMMUGOBP-UHFFFAOYSA-N
BMGC_DG16623,BMG_DG213107,,C1(=CC(=O)C(=CC1=O)c2ccc(cc2)OC)c3ccc(cc3)OC,,JZJYUHYPMJANNP-UHFFFAOYSA-N
BMGC_DG16624,BMG_DG213130,,c1ccc(-c2nc3ccncc3[nH]2)nc1,,RCQLXXHLXWNHOU-UHFFFAOYSA-N
BMGC_DG16625,BMG_DG213147,[N-]=[N+]=O,N#[N+][O-],InChI=1S/N2O/c1-2-3,GQPLMRYTRLFLPF-UHFFFAOYSA-N
BMGC_DG16626,BMG_DG213197,,c1([nH]c2c3c(cccc3)ccc2s1)=N,,FECQXVPRUCCUIL-UHFFFAOYSA-N
BMGC_DG16627,BMG_DG213209,,Nc1c2c(nc(Cl)n1)nc[nH]2,,HBJGQJWNMZDFKL-UHFFFAOYSA-N
BMGC_DG16628,BMG_DG213211,,c1(-c2c3c(C(=O)O)cccc3ccc2)c4c(C(=O)O)cccc4ccc1,,XGDAODQNSVFBGM-UHFFFAOYSA-N
BMGC_DG16629,BMG_DG213236,,Oc1cc(F)ccc1F,,INXKVYFOWNAVMU-UHFFFAOYSA-N
BMGC_DG16630,BMG_DG213243,,c1(c(nc(cc1)C)O)C(=O)O,,XRIHTJYXIHOBDQ-UHFFFAOYSA-N
BMGC_DG16631,BMG_DG213276,C1=CC2=C(C=C1N)C(=O)NNC2=O,c12c(c(=O)[nH][nH]c1=O)ccc(c2)N,"InChI=1S/C8H7N3O2/c9-4-1-2-5-6(3-4)8(13)11-10-7(5)12/h1-3H,9H2,(H,10,12)(H,11,13)",HUDPLKWXRLNSPC-UHFFFAOYSA-N
BMGC_DG16632,BMG_DG213289,,Cn1c2c(c(=O)n(C)c1=O)n(Cc3ccccc3)cn2,,WXWQVDBZDNPNLZ-UHFFFAOYSA-N
BMGC_DG16633,BMG_DG213304,,c1(ccc(s1)Cl)C(=O)O,,QZLSBOVWPHXCLT-UHFFFAOYSA-N
BMGC_DG16634,BMG_DG213306,,,,
BMGC_DG16635,BMG_DG213308,CN1CCC(=CC1)C2=CC=C(C=C2)O,C1(=CCN(CC1)C)c2ccc(cc2)O,"InChI=1S/C12H15NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-6,14H,7-9H2,1H3",GIGCUVKCMPXMAZ-UHFFFAOYSA-N
BMGC_DG16636,BMG_DG213341,C1=CC(=C(C=C1C(CN)O)O)O,c1c(c(ccc1C(O)CN)O)O,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2",SFLSHLFXELFNJZ-UHFFFAOYSA-N
BMGC_DG16637,BMG_DG213352,,C1CCC(CC1)n2cnc3c(N)ncnc32,,FRZBEYVOLNQETR-UHFFFAOYSA-N
BMGC_DG16638,BMG_DG213356,,c1(CCN2CCCCC2)ccccc1,,DBDVAKGHPZJLTH-UHFFFAOYSA-N
BMGC_DG16639,BMG_DG213366,,[N+](c1ccc(cc1)CCN)([O-])=O,,IOXOZOPLBFXYLM-UHFFFAOYSA-N
BMGC_DG16640,BMG_DG213386,,c12c(c3C=CC(Oc3c(c1O)CC=C(C)C)(C)C)occ(c2=O)-c4ccc(cc4)O,,DCTLJGWMHPGCOS-UHFFFAOYSA-N
BMGC_DG16641,BMG_DG213388,C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br,O(c1ccc(Br)cc1Br)c2ccc(Br)cc2Br,InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H,XYBSIYMGXVUVGY-UHFFFAOYSA-N
BMGC_DG16642,BMG_DG213391,C1=CC(=CC=C1CC(C(=O)O)N)N,,"InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)",CMUHFUGDYMFHEI-UHFFFAOYSA-N
BMGC_DG16643,BMG_DG213429,,c1(c(Nc2cc3ccccc3cc2)cccc1)C(=O)O,,VKDURIRMJONJMV-UHFFFAOYSA-N
BMGC_DG16644,BMG_DG213433,C(C(F)(F)F)OCC(F)(F)F,C(F)(F)(F)COCC(F)(F)F,"InChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2",KGPPDNUWZNWPSI-UHFFFAOYSA-N
BMGC_DG16645,BMG_DG213480,,C(C(=O)c1ccc(OC)cc1)(O)c2ccc(OC)cc2,,LRRQSCPPOIUNGX-UHFFFAOYSA-N
BMGC_DG16646,BMG_DG213499,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C=C)O,[H][C@]1(O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=C)[C@@H](OP(O)(O)=O)[C@H]1O)n2cnc3c(N)ncnc23,"InChI=1S/C24H38N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1",POODSGUMUCVRTR-IEXPHMLFSA-N
BMGC_DG16647,BMG_DG213704,,,,
BMGC_DG16648,BMG_DG213705,,,,
BMGC_DG16649,BMG_DG213708,,,,
BMGC_DG16650,BMG_DG213710,,,,
BMGC_DG16651,BMG_DG213712,CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)N[C@@H](CO)C[S@@](=O)CSC,c1(c([nH]c([nH]c1C)=O)=O)/C=C/C(N[C@H](C[S@@+]([O-])CSC)CO)=O,"InChI=1S/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+/t9-,23+/m0/s1",XKLZIVIOZDNKEQ-CLQLPEFOSA-N
BMGC_DG16652,BMG_DG213715,,,,
BMGC_DG16653,BMG_DG213716,,,,
BMGC_DG16654,BMG_DG213721,C1CN(C(=O)N[C@@H]1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,,"InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1",UCKYOOZPSJFJIZ-FMDGEEDCSA-N
BMGC_DG16655,BMG_DG213722,,,,
BMGC_DG16656,BMG_DG213723,,,,
BMGC_DG16657,BMG_DG213724,,,,
BMGC_DG16658,BMG_DG213729,C1=CC=C(C=C1)NC(=O)CCCCCC(=O)NC2=CC=CC=C2N,,"InChI=1S/C19H23N3O2/c20-16-11-7-8-12-17(16)22-19(24)14-6-2-5-13-18(23)21-15-9-3-1-4-10-15/h1,3-4,7-12H,2,5-6,13-14,20H2,(H,21,23)(H,22,24)",ZAIULUYKQLVQFH-UHFFFAOYSA-N
BMGC_DG16659,BMG_DG213730,C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NC2=CC=CC=C2N,,"InChI=1S/C20H25N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,21H2,(H,22,24)(H,23,25)",RFLHBLWLFUFFDZ-UHFFFAOYSA-N
BMGC_DG16660,BMG_DG213755,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC,"InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17-,20-18-/t37-/m0/s1",AFSHUZFNMVJNKX-LLWMBOQKSA-N
BMGC_DG16661,BMG_DG214343,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O,,"InChI=1S/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/b10-9-/t21-,22+/m1/s1",JZWNYZVVZXZRRH-YFKVPUFHSA-N
BMGC_DG16662,BMG_DG214356,CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O,,"InChI=1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)/t16-/m1/s1",FAZBDRGXCKPVJU-MRXNPFEDSA-N
BMGC_DG16663,BMG_DG214360,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O,O[C@@]12[C@]3([H])CC[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]1([C@@H](c5coc(=O)cc5)CC2)C,"InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1",QEEBRPGZBVVINN-BMPKRDENSA-N
BMGC_DG16664,BMG_DG214370,C[C@H](/C=C/[C@](C)(C(C)C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,[C@@]12([C@](CC[C@]2(/C(=C/C=C/3\C([C@H](C[C@@H](C3)O)O)=C)/CCC1)[H])([C@@H](/C=C/[C@](C(C)C)(O)C)C)[H])C,"InChI=1S/C28H44O3/c1-18(2)28(6,31)15-13-19(3)24-11-12-25-21(8-7-14-27(24,25)5)9-10-22-16-23(29)17-26(30)20(22)4/h9-10,13,15,18-19,23-26,29-31H,4,7-8,11-12,14,16-17H2,1-3,5-6H3/b15-13+,21-9+,22-10-/t19-,23-,24-,25+,26+,27-,28-/m1/s1",ODZFJAXAEXQSKL-WRJREGAQSA-N
BMGC_DG16665,BMG_DG214371,C[C@H](CC(=O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,C[C@@]12[C@@]([H])([C@H](C)CC(=O)O)CC[C@@]1([H])/C(/CCC2)=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C,"InChI=1S/C23H34O4/c1-14(11-22(26)27)19-8-9-20-16(5-4-10-23(19,20)3)6-7-17-12-18(24)13-21(25)15(17)2/h6-7,14,18-21,24-25H,2,4-5,8-13H2,1,3H3,(H,26,27)/b16-6+,17-7-/t14-,18-,19-,20+,21+,23-/m1/s1",MBLYZRMZFUWLOZ-ZTIKAOTBSA-N
BMGC_DG16666,BMG_DG214373,,[C@]12([C@](/C(=C/C=C\3/C[C@H](C[C@@H](C3)O)O)/CCC1)(CC[C@@]2([C@@H](CCCC(O)(C)C)C)[H])[H])C,,PKFBWEUIKKCWEW-WEZTXPJVSA-N
BMGC_DG16667,BMG_DG214387,,,,
BMGC_DG16668,BMG_DG214388,,,,
BMGC_DG16669,BMG_DG214389,,,,
BMGC_DG16670,BMG_DG214390,,,,
BMGC_DG16671,BMG_DG214391,,,,
BMGC_DG16672,BMG_DG214392,,,,
BMGC_DG16673,BMG_DG214393,,,,
BMGC_DG16674,BMG_DG214394,,,,
BMGC_DG16675,BMG_DG214395,,,,
BMGC_DG16676,BMG_DG214397,,,,
BMGC_DG16677,BMG_DG214398,,,,
BMGC_DG16678,BMG_DG214399,,,,
BMGC_DG16679,BMG_DG214400,,,,
BMGC_DG16680,BMG_DG214401,,,,
BMGC_DG16681,BMG_DG214402,,,,
BMGC_DG16682,BMG_DG214406,,,,
BMGC_DG16683,BMG_DG214413,C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,,"InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/p-1/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1",QBYUNVOYXHFVKC-GBURMNQMSA-M
BMGC_DG16684,BMG_DG214422,C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1",RUDATBOHQWOJDD-BSWAIDMHSA-M
BMGC_DG16685,BMG_DG214429,CN(CC(=O)O)/C(=N/P(=O)(O)O)/N,N(CC(O)=O)(C(NP(O)(O)=O)=N)C,"InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)",DRBBFCLWYRJSJZ-UHFFFAOYSA-N
BMGC_DG16686,BMG_DG214450,C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,,"InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1",KXGVEGMKQFWNSR-LLQZFEROSA-M
BMGC_DG16687,BMG_DG214482,C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,,"InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1",WBWWGRHZICKQGZ-HZAMXZRMSA-M
BMGC_DG16688,BMG_DG214501,C(C(=O)O)O.N.N.[Pt+2],,"InChI=1S/C2H4O3.2H3N.Pt/c3-1-2(4)5;;;/h3H,1H2,(H,4,5);2*1H3;/q;;;+2",NOSYGQGJJZNNMA-UHFFFAOYSA-N
BMGC_DG16689,BMG_DG214516,C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C,,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",ZGVSETXHNHBTRK-UDJLNJFBSA-N
BMGC_DG16690,BMG_DG214519,,C[C@]12CCc3c([C@@H]1CC[C@@]2(C)O)ccc4c3ccc(c4)O,,FQMQOMRDADWGJJ-GBESFXJTSA-N
BMGC_DG16691,BMG_DG214520,,n1(c(cc2ccccc12)C(=O)Nc3c(cc(cc3)-c4nn(c5ncnc(c54)N)[C@H]6CC[C@@H](CC6)N7CCN(CC7)C(=O)C)OC)C,,ZMNWFTYYYCSSTF-SOAUALDESA-N
BMGC_DG16692,BMG_DG214522,CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N,Ic1c(Sc2n(CCCNC(C)C)c3c(n2)c(N)ncn3)cc4c(c1)OCO4,"InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)",SUPVGFZUWFMATN-UHFFFAOYSA-N
BMGC_DG16693,BMG_DG214523,,,,
BMGC_DG16694,BMG_DG214524,,,,
BMGC_DG16695,BMG_DG214525,,,,
BMGC_DG16696,BMG_DG214526,,,,
BMGC_DG16697,BMG_DG214527,,,,
BMGC_DG16698,BMG_DG214528,,,,
BMGC_DG16699,BMG_DG214532,,N(C(=O)NCCC)c1c(cc(cc1)Oc2ncnc3cc(c(cc23)OC)OC)Cl,,VPBYZLCHOKSGRX-UHFFFAOYSA-N
BMGC_DG16700,BMG_DG214533,,NCCNc1nc(c(cn1)C(N)=O)Nc2cc(ccc2)C(F)(F)F,,FQNFLNSVHWCZML-UHFFFAOYSA-N
BMGC_DG16701,BMG_DG214534,C1CC1C(=O)NC2=CC=CC(=C2)NC3=NC=NC(=C3)NC4=CC=CC(=C4)C(F)(F)F,,"InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(9-14)27-18-11-19(26-12-25-18)28-16-5-2-6-17(10-16)29-20(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,29,30)(H2,25,26,27,28)",YOHYSYJDKVYCJI-UHFFFAOYSA-N
BMGC_DG16702,BMG_DG214535,,O=C(Nc1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1)C4CC4,,RDTDWGQDFJPTPD-UHFFFAOYSA-N
BMGC_DG16703,BMG_DG214536,,N(C(=O)Nc1cc(nc2ccccc12)C)c3c(ccc(c3)Cl)OC,,YBLWOZUPHDKFOT-UHFFFAOYSA-N
BMGC_DG16704,BMG_DG214546,,OC(=O)c1ccccc1C(CCC(=O)O)=O,,YIVWQNVQRXFZJB-UHFFFAOYSA-N
BMGC_DG16705,BMG_DG214557,C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl,C(NC(=N)NCCCCCCNC(NC(Nc1ccc(cc1)Cl)=N)=N)(Nc2ccc(cc2)Cl)=N,"InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)",GHXZTYHSJHQHIJ-UHFFFAOYSA-N
BMGC_DG16706,BMG_DG214562,C1COCCN1CC2CN(C(=O)O2)/N=C/C3=CC=C(O3)[N+](=O)[O-],c1([N+]([O-])=O)oc(/C=N/N2C(OC(C2)CN3CCOCC3)=O)cc1,"InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2/b14-7+",YVQVOQKFMFRVGR-VGOFMYFVSA-N
BMGC_DG16707,BMG_DG214585,,C(=N/NC(N)=S)\c1c2c(ccn1)c(N)ccc2,,MLTULNASULCZLR-GIDUJCDVSA-N
BMGC_DG16708,BMG_DG214616,C#CCC(C(=O)O)N,C(=O)(C(N)CC#C)O,"InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)",DGYHPLMPMRKMPD-UHFFFAOYSA-N
BMGC_DG16709,BMG_DG214644,,,,
BMGC_DG16710,BMG_DG214656,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)N,S(NC(=O)NCCCC)(c1ccc(cc1)N)(=O)=O,"InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15)",VDTNNGKXZGSZIP-UHFFFAOYSA-N
BMGC_DG16711,BMG_DG214659,COCCOC1=CN=C(N=C1)NS(=O)(=O)C2=CC=CC=C2,c1cc(ccc1)S(Nc2ncc(cn2)OCCOC)(=O)=O,"InChI=1S/C13H15N3O4S/c1-19-7-8-20-11-9-14-13(15-10-11)16-21(17,18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,14,15,16)",QFWPJPIVLCBXFJ-UHFFFAOYSA-N
BMGC_DG16712,BMG_DG214671,,c1(c(ccc2ccccc12)O)/N=N/c3ccc(cc3)O,,VFCMIQSRZVLDRW-ISLYRVAYSA-N
BMGC_DG16713,BMG_DG214675,CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O,,"InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23?,24+,25+,26-,27?,28?,29-,30?,32?,33+,34-,35?,36-,38?,39-,40?,41-/m1/s1",RXZBMPWDPOLZGW-KMAKEOJNSA-N
BMGC_DG16714,BMG_DG214679,C1=CC(=C(C(=C1)Cl)/C=N/N=C(\N)/NO)Cl,Clc1cccc(Cl)c1/C=N/NC(=N)NO,"InChI=1S/C8H8Cl2N4O/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14-15/h1-4,15H,(H3,11,13,14)/b12-4+",QKIQJNNDIWGVEH-UUILKARUSA-N
BMGC_DG16715,BMG_DG214693,CC(=O)NC1=CC=C(C=C1)/C=N/NC(=S)N,C(=S)(N/N=C/c1ccc(NC(=O)C)cc1)N,"InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+",SRVJKTDHMYAMHA-WUXMJOGZSA-N
BMGC_DG16716,BMG_DG214694,CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2],c1([n-]c2ccc(cc2n1)OC)[S@+](Cc3c(c(c(cn3)C)OC)C)[O-].[Mg+2].c1([n-]c2c(n1)cc(cc2)OC)[S@+](Cc3c(c(c(cn3)C)OC)C)[O-],"InChI=1S/2C17H18N3O3S.Mg/c2*1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h2*5-8H,9H2,1-4H3;/q2*-1;+2/t2*24-;/m00./s1",KWORUUGOSLYAGD-YPPDDXJESA-N
BMGC_DG16717,BMG_DG214695,CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC,c1([nH]c2ccc(cc2n1)OC)[S@@+]([O-])Cc3c(C)c(OC)c(cn3)C,"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1",SUBDBMMJDZJVOS-DEOSSOPVSA-N
BMGC_DG16718,BMG_DG214696,,,,
BMGC_DG16719,BMG_DG214699,CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C/C(=N/O)/CC[C@H]34,C(C)[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=C\C(=N\O)\CC4)[H])[H])[H])(CC[C@]2(C#C)O)[H],"InChI=1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/b22-15+/t16-,17+,18+,19-,20-,21-/m0/s1",ISHXLNHNDMZNMC-VTKCIJPMSA-N
BMGC_DG16720,BMG_DG214712,,c1(c(ccc(c1)OC)O)C=O,,FZHSPPYCNDYIKD-UHFFFAOYSA-N
BMGC_DG16721,BMG_DG214715,,c1(c(cc(c(c1)O)CN(C)C)O)CN(C)C,,QAPHUXJGSNSWPK-UHFFFAOYSA-N
BMGC_DG16722,BMG_DG214716,CCCCCCCCO,OCCCCCCCC,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",KBPLFHHGFOOTCA-UHFFFAOYSA-N
BMGC_DG16723,BMG_DG214717,,OC[C@H]1O[C@@H](n2c3c(nc2)c(SC)ncn3)[C@@H]([C@@H]1O)O,,ZDRFDHHANOYUTE-IOSLPCCCSA-N
BMGC_DG16724,BMG_DG214719,CC(C)(/C=N/OC(=O)NC)SC,,"InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+",QGLZXHRNAYXIBU-WEVVVXLNSA-N
BMGC_DG16725,BMG_DG214739,,c1(nc(NC2CN(CC)CCC2)cc(n1)C)NC(Nc3cc(Cl)c(cc3)Cl)=N,,ULEFBGMSKLBBKF-UHFFFAOYSA-N
BMGC_DG16726,BMG_DG214751,,c12c(c3ccccc3[nH]c1ccc([N+]([O-])=O)c2)=O,,MJYGRUSMTCUJGK-UHFFFAOYSA-N
BMGC_DG16727,BMG_DG214757,CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O,N12C([C@@H](NC(\C(\c3nc(N)sc3)=N/OC)=O)[C@]1(SCC(=C2C(=O)O)CSc4n(nnn4)C)[H])=O,"InChI=1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b21-8-/t9-,13-/m1/s1",HJJDBAOLQAWBMH-YCRCPZNHSA-N
BMGC_DG16728,BMG_DG214765,,CO/N=C/C1=CCCN(C)C1,,YMMXHEYLRHNXAB-RMKNXTFCSA-N
BMGC_DG16729,BMG_DG214766,CN1CCN(CC1)CCCCN2C(=O)CN(C2=O)/N=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl.Cl.Cl,C(=N/N1C(=O)N(C(C1)=O)CCCCN2CCN(CC2)C)\c3oc(cc3)-c4ccc(cc4)Cl.Cl.Cl,"InChI=1S/C23H28ClN5O3.2ClH/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18;;/h4-9,16H,2-3,10-15,17H2,1H3;2*1H/b25-16+;;",HHPSICLSNHCSNZ-BYEGLACWSA-N
BMGC_DG16730,BMG_DG214767,CN1CCN(CC1)CCCCN2C(=O)CN(C2=O)/N=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl,C(=N/N1C(=O)N(C(C1)=O)CCCCN2CCN(CC2)C)\c3oc(cc3)-c4ccc(cc4)Cl,"InChI=1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18/h4-9,16H,2-3,10-15,17H2,1H3/b25-16+",MREBEPTUUMTTIA-PCLIKHOPSA-N
BMGC_DG16731,BMG_DG214776,CC(C)N=C(N)/N=C(\N)/NC1=CC(=C(C=C1)Cl)Cl,c1(c(cc(NC(NC(NC(C)C)=N)=N)cc1)Cl)Cl,"InChI=1S/C11H15Cl2N5/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7/h3-6H,1-2H3,(H5,14,15,16,17,18)",ISZNZKHCRKXXAU-UHFFFAOYSA-N
BMGC_DG16732,BMG_DG214786,C1C(=O)N(C(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-])CO,C1(N(C(CN1/N=C/c2oc(cc2)[N+](=O)[O-])=O)CO)=O,"InChI=1S/C9H8N4O6/c14-5-11-7(15)4-12(9(11)16)10-3-6-1-2-8(19-6)13(17)18/h1-3,14H,4-5H2/b10-3+",UIDWQGRXEVDFCA-XCVCLJGOSA-N
BMGC_DG16733,BMG_DG214793,CO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC=NN5C=C4)C(=O)[O-],c1[n+](CC=2CS[C@@]3([H])N(C2C([O-])=O)C([C@H]3NC(/C(/c4nsc(n4)N)=N\OC)=O)=O)c5n(c1)nccc5,"InChI=1S/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/b24-11-/t12-,17-/m1/s1",QDUIJCOKQCCXQY-WHJQOFBOSA-N
BMGC_DG16734,BMG_DG214800,CO/N=C/1\CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F,c12c(c(=O)c(cn1C3CC3)C(=O)O)cc(c(N4C/C(=N\OC)/C(C4)CN)n2)F,"InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+",ZRCVYEYHRGVLOC-HYARGMPZSA-N
BMGC_DG16735,BMG_DG214816,C1=CC(=C(N=C1)/C=N/NC(=S)N)N,N(=C/c1ncccc1N)\NC(=S)N,"InChI=1S/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+",XMYKNCNAZKMVQN-NYYWCZLTSA-N
BMGC_DG16736,BMG_DG214837,CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)/C(=N/O)/N,,"InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1",ZXIBCJHYVWYIKI-PZJWPPBQSA-N
BMGC_DG16737,BMG_DG214843,C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3,C([C@H](OC[P@](Oc1ccccc1)(N[C@H](C(OC(C)C)=O)C)=O)C)n2c3c(nc2)c(N)ncn3,"InChI=1S/C21H29N6O5P/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24)/t15-,16+,33+/m1/s1",LDEKQSIMHVQZJK-CAQYMETFSA-N
BMGC_DG16738,BMG_DG214881,,O[C@]12[C@@]34c5c(O[C@]3(\C(=N\N=C/6\[C@]7([C@]89c%10c(O7)c(O)ccc%10C[C@]([C@]8(O)CC6)(N(CC=C)CC9)[H])[H])\CC1)[H])c(O)ccc5C[C@]2(N(CC=C)CC4)[H],,AJPSBXJNFJCCBI-YOHUGVJRSA-N
BMGC_DG16739,BMG_DG214901,,CC(=O)N[C@@H]\1[C@@H](O)[C@H](O)[C@@H](CO)O/C1=N\OC(=O)Nc2ccccc2,,PBLNJFVQMUMOJY-JXZOILRNSA-N
BMGC_DG16740,BMG_DG214907,C1CCN(CC1)CC(CO/N=C(/C2=CN=CC=C2)\Cl)O,C(\c1cccnc1)(=N/OCC(CN2CCCCC2)O)/Cl,"InChI=1S/C14H20ClN3O2/c15-14(12-5-4-6-16-9-12)17-20-11-13(19)10-18-7-2-1-3-8-18/h4-6,9,13,19H,1-3,7-8,10-11H2/b17-14-",NMOVJBAGBXIKCG-VKAVYKQESA-N
BMGC_DG16741,BMG_DG214909,C1CCC(CC1)/C=N/NC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N,n1(c2c(c(N)nc(n2)N/N=C/C3CCCCC3)nc1)[C@H]4[C@@H]([C@H](O)[C@H](O4)CO)O,"InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h6,8-10,12-13,16,25-27H,1-5,7H2,(H3,18,21,22,23)/b20-6+/t10-,12-,13-,16-/m1/s1",XJFMHMFFBSOEPR-DNZQAUTHSA-N
BMGC_DG16742,BMG_DG214910,COC(=O)C[C@@H]1C[C@H](NC1=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)/C(=N/C(=O)OC)/N,,"InChI=1S/C23H25N3O6/c1-30-20(27)12-17-11-18(25-22(17)28)13-32-19-9-7-15(8-10-19)14-3-5-16(6-4-14)21(24)26-23(29)31-2/h3-10,17-18H,11-13H2,1-2H3,(H,25,28)(H2,24,26,29)/t17-,18-/m0/s1",PGCFXITVMNNKON-ROUUACIJSA-N
BMGC_DG16743,BMG_DG214918,CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N/OC(C)(C)C)O,n12c(-c3nc4ccccc4c(c3C1)\C=N\OC(C)(C)C)cc5c(c2=O)COC([C@]5(O)CC)=O,"InChI=1S/C25H25N3O5/c1-5-25(31)18-10-20-21-16(12-28(20)22(29)17(18)13-32-23(25)30)15(11-26-33-24(2,3)4)14-8-6-7-9-19(14)27-21/h6-11,31H,5,12-13H2,1-4H3/b26-11+/t25-/m0/s1",UIVFUQKYVFCEKJ-OPTOVBNMSA-N
BMGC_DG16744,BMG_DG214922,C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(COC)OC)C5=CC=C(C=C5)/C=N/O,C=12[C@H](C[C@@]3([C@](OC)(COC)CC[C@]3([C@@]2(CCC=4C1CCC(=O)C4)[H])[H])C)c5ccc(cc5)/C=N/O,"InChI=1S/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,16,23-25,31H,8-13,15,17H2,1-3H3/b29-16+/t23-,24+,25-,27-,28+/m0/s1",GJMNAFGEUJBOCE-MEQIQULJSA-N
BMGC_DG16745,BMG_DG214931,C[S@@](=O)CCCCN=C=S,C[S@+](CCCCN=C=S)[O-],"InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m1/s1",SUVMJBTUFCVSAD-SNVBAGLBSA-N
BMGC_DG16746,BMG_DG214945,,[nH]1c(nnc1N)-c2ccccc2,,GHUDJFJZFUVPIQ-UHFFFAOYSA-N
BMGC_DG16747,BMG_DG214951,,N12C[C@@](C(CC1)CC2)(/C(/C#N)=N/OC)[H],,IQWCBYSUUOFOMF-QTLFRQQHSA-N
BMGC_DG16748,BMG_DG214953,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,c1(nc2ccccc2[nH]1)[S@@+](Cc3c(c(OCC(F)(F)F)ccn3)C)[O-],"InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/t25-/m1/s1",MJIHNNLFOKEZEW-RUZDIDTESA-N
BMGC_DG16749,BMG_DG214964,,c1(cc(\C(=N\OC(=O)N)\C)ccc1OC)OC2CCCC2,,STTRYQAGHGJXJJ-LICLKQGHSA-N
BMGC_DG16750,BMG_DG214966,C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl)Cl,C(Nc1cc(c(cc1)Cl)Cl)(Nc2cc(c(cc2)Cl)Cl)=O,"InChI=1S/C13H8Cl4N2O/c14-9-3-1-7(5-11(9)16)18-13(20)19-8-2-4-10(15)12(17)6-8/h1-6H,(H2,18,19,20)",ZDPIZPXVHVYTOK-UHFFFAOYSA-N
BMGC_DG16751,BMG_DG214975,C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]\5[C@@]4([C@@H](C=C(/C5=N/O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)\C)O[C@@H]1C7CCCCC7,[C@]12(CC[C@@H]([C@H](O1)C3CCCCC3)C)C[C@H]4OC([C@]5([C@]\6([C@@](/C(/C(=C5)C)=N\O)(OC/C6=C\C=C\[C@@H]([C@H](O[C@@]7(O[C@H]([C@H](O)[C@@H](OC)C7)C)[H])\C(\C)=C\C[C@H](C4)O2)C)[H])O)[H])=O,"InChI=1S/C43H63NO11/c1-24-11-10-14-30-23-50-40-36(44-48)27(4)19-33(43(30,40)47)41(46)52-32-20-31(16-15-25(2)38(24)53-35-21-34(49-6)37(45)28(5)51-35)54-42(22-32)18-17-26(3)39(55-42)29-12-8-7-9-13-29/h10-11,14-15,19,24,26,28-29,31-35,37-40,45,47-48H,7-9,12-13,16-18,20-23H2,1-6H3/b11-10+,25-15+,30-14+,44-36-/t24-,26-,28-,31+,32-,33-,34-,35-,37-,38-,39-,40+,42+,43+/m0/s1",AFJYYKSVHJGXSN-XHKIUTQPSA-N
BMGC_DG16752,BMG_DG214978,CCCCCCOC(=O)/N=C(\C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)/N,,"InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)",KSGXQBZTULBEEQ-UHFFFAOYSA-N
BMGC_DG16753,BMG_DG214990,CC1=CN=C(C(=C1OC)C)C[S@@](=O)C2=NC3=C(N2)C=C(C=C3)OC,c1([nH]c2ccc(cc2n1)OC)[S@+]([O-])Cc3c(C)c(OC)c(cn3)C,"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m1/s1",SUBDBMMJDZJVOS-XMMPIXPASA-N
BMGC_DG16754,BMG_DG214995,,n1c2c(c(OCC)nc1N)nc[nH]2,,SFXXRVSPZSOREJ-UHFFFAOYSA-N
BMGC_DG16755,BMG_DG215020,,S1(N(C(=O)c2c1cccc2)CC=C)(=O)=O,,PCEMJUSXPJQKDP-UHFFFAOYSA-N
BMGC_DG16756,BMG_DG215021,,S1(N(C(=O)c2c1cccc2)Cc3ccccc3)(=O)=O,,JLGPMOJYECOCEP-UHFFFAOYSA-N
BMGC_DG16757,BMG_DG215033,,c12c(C(c3ccccc3C1=O)=O)cc(c(c2O)O)N,,YLFWHISGXDKCIT-UHFFFAOYSA-N
BMGC_DG16758,BMG_DG215035,,N(\S(=O)(=O)c1ccc(C)cc1)=C\2/c3c(C(=O)C(Sc4[nH]cnn4)=C2)cccc3,,HDOKKAMQZREOLG-XQNSMLJCSA-N
BMGC_DG16759,BMG_DG215037,,c1(sc2ccccc2c1)C(=O)O,,DYSJMQABFPKAQM-UHFFFAOYSA-N
BMGC_DG16760,BMG_DG215044,,C(N(C(C)C)C(C)C)(SSC(N(C(C)C)C(C)C)=S)=S,,ZUYREEAWHZRZDX-UHFFFAOYSA-N
BMGC_DG16761,BMG_DG215053,,[C@@H](C[C@@H](C(O)=O)N)(C(O)=O)C,,KRKRAOXTGDJWNI-DMTCNVIQSA-N
BMGC_DG16762,BMG_DG215056,,N(c1cnc2ccccc2n1)S(c3ccc(NC(=O)C)cc3)(=O)=O,,HQOJTUJGZNGEJL-UHFFFAOYSA-N
BMGC_DG16763,BMG_DG215063,,n1c(c2ccccc2[nH]1)Cl,,QPHAGNNWDZSKJH-UHFFFAOYSA-N
BMGC_DG16764,BMG_DG215091,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/NC(=O)C6=CC=CC=C6)/C)O)N)O,,"InChI=1S/C34H35N3O10/c1-15-28(38)20(35)12-23(46-15)47-22-14-34(44,16(2)36-37-33(43)17-8-5-4-6-9-17)13-19-25(22)32(42)27-26(30(19)40)29(39)18-10-7-11-21(45-3)24(18)31(27)41/h4-11,15,20,22-23,28,38,40,42,44H,12-14,35H2,1-3H3,(H,37,43)/b36-16+/t15-,20-,22-,23-,28+,34-/m0/s1",FBTUMDXHSRTGRV-ALTNURHMSA-N
BMGC_DG16765,BMG_DG215118,CC(=O)CC(=O)O,C(C(=O)O)C(=O)C,"InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)",WDJHALXBUFZDSR-UHFFFAOYSA-N
BMGC_DG16766,BMG_DG215123,,,,
BMGC_DG16767,BMG_DG215124,,c1cn2c(c(nc2s1)-c3ccc(cc3)Cl)/C=N/OCc4ccc(c(c4)Cl)Cl,,ZQWBOKJVVYNKTL-AUEPDCJTSA-N
BMGC_DG16768,BMG_DG215129,,,,
BMGC_DG16769,BMG_DG215130,,,,
BMGC_DG16770,BMG_DG215143,,,,
BMGC_DG16771,BMG_DG215146,CCC(=O)O[C@H](C(C)C)O[P@](=O)(CCCCC1=CC=CC=C1)CC(=O)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3,C(C[P@](O[C@H](OC(CC)=O)C(C)C)(CCCCc1ccccc1)=O)(=O)N2C[C@@H](C[C@H]2C(O)=O)C3CCCCC3,"InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30+,39-/m1/s1",BIDNLKIUORFRQP-XYGFDPSESA-N
BMGC_DG16772,BMG_DG215161,,c12ncccc1cccc2S,,MHTSJSRDFXZFHQ-UHFFFAOYSA-N
BMGC_DG16773,BMG_DG215162,,c1(ccc(F)cc1)C,,WRWPPGUCZBJXKX-UHFFFAOYSA-N
BMGC_DG16774,BMG_DG215182,CS(=O)(=O)O.C1CO[P@@](=O)(O[C@@H]1C2=CC(=CC=C2)Cl)COCCN3C=NC4=C(N=CN=C43)N,O1[C@@H](CCO[P@@]1(COCCn2c3ncnc(c3nc2)N)=O)c4cccc(Cl)c4.CS(=O)(=O)O,"InChI=1S/C17H19ClN5O4P.CH4O3S/c18-13-3-1-2-12(8-13)14-4-6-26-28(24,27-14)11-25-7-5-23-10-22-15-16(19)20-9-21-17(15)23;1-5(2,3)4/h1-3,8-10,14H,4-7,11H2,(H2,19,20,21);1H3,(H,2,3,4)/t14-,28+;/m0./s1",JXQUAHHUSMJUFV-HZPZRMRQSA-N
BMGC_DG16775,BMG_DG215184,,O=C1Nc2cccc(Cl)c2C1=O,,HSYFISNDMZKGRS-UHFFFAOYSA-N
BMGC_DG16776,BMG_DG215185,,c1cc(ccc1CSc2c3c(nc(N)n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@@H](CO)O4)O)O)[N+](=O)[O-],,BRSNNJIJEZWSBU-XNIJJKJLSA-N
BMGC_DG16777,BMG_DG215190,,Cc1cccc(F)c1,,BTQZKHUEUDPRST-UHFFFAOYSA-N
BMGC_DG16778,BMG_DG215196,,c1cc(cc(c1)Cl)CSc2c3c([nH]cn3)ncn2,,KFAOWRCIGSQBSV-UHFFFAOYSA-N
BMGC_DG16779,BMG_DG215208,[OH-],[OH-],InChI=1S/H2O/h1H2/p-1,XLYOFNOQVPJJNP-UHFFFAOYSA-M
BMGC_DG16780,BMG_DG215215,COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC,c12c(cc(oc1cc(OC)c(c2OC)OC)-c3ccc(cc3)OC)=O,"InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3",URSUMOWUGDXZHU-UHFFFAOYSA-N
BMGC_DG16781,BMG_DG215217,,Brc1cnc[nH]1,,FHZALEJIENDROK-UHFFFAOYSA-N
BMGC_DG16782,BMG_DG215228,,C(c1ccc(cc1)C(C)C)(=O)CCC(=O)O,,CRTBQADLERFRSD-UHFFFAOYSA-N
BMGC_DG16783,BMG_DG215229,CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)C3=CC(=C(C=C3)Cl)Cl)/C=N/OC,[C@@H]12C[C@H](c3ccc(c(c3)Cl)Cl)[C@@H](/C=N/OC)[C@@H](CC1)N2C,"InChI=1S/C16H20Cl2N2O/c1-20-11-4-6-16(20)13(9-19-21-2)12(8-11)10-3-5-14(17)15(18)7-10/h3,5,7,9,11-13,16H,4,6,8H2,1-2H3/b19-9+/t11-,12+,13+,16+/m0/s1",NRLIFEGHTNUYFL-QJDHNRDASA-N
BMGC_DG16784,BMG_DG215244,,,,
BMGC_DG16785,BMG_DG215258,O,O,InChI=1S/H2O/h1H2,XLYOFNOQVPJJNP-UHFFFAOYSA-N
BMGC_DG16786,BMG_DG215267,,c1(c(cc(cc1C(C)C)C(C)C)C(C)C)C(=O)O,,ULVHAZFBJJXIDO-UHFFFAOYSA-N
BMGC_DG16787,BMG_DG215268,C1=C(NC=N1)CC(=O)O,n1c(CC(=O)O)c[nH]c1,"InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)",PRJKNHOMHKJCEJ-UHFFFAOYSA-N
BMGC_DG16788,BMG_DG215320,,CSC1=CC(=O)c2ccccc2C1=O,,GGFFBRRZAKLGFX-UHFFFAOYSA-N
BMGC_DG16789,BMG_DG215366,C(C(C(F)(F)F)(F)F)(C(F)(F)F)(F)F,C(C(C(F)(F)F)(F)F)(C(F)(F)F)(F)F,"InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14",KAVGMUDTWQVPDF-UHFFFAOYSA-N
BMGC_DG16790,BMG_DG215372,,[nH]1c(cc2c1cccc2)C=O,,SBNOTUDDIXOFSN-UHFFFAOYSA-N
BMGC_DG16791,BMG_DG215373,C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20",ZJIJAJXFLBMLCK-UHFFFAOYSA-N
BMGC_DG16792,BMG_DG215380,C(C(=O)C(=O)O)O,C(C(CO)=O)(=O)O,"InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)",HHDDCCUIIUWNGJ-UHFFFAOYSA-N
BMGC_DG16793,BMG_DG215396,CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3C[C@@H](C5=CC(=O)C=C[C@@]54C)F)F)O)C)OC(O2)(C)C,[C@@]12([C@@]3([C@@]([C@@]4(C[C@H](F)C=5[C@@]([C@]4([C@H](C3)O)F)(C=CC(=O)C5)C)[H])([H])C[C@]1(OC(O2)(C)C)[H])C)C(COC(=O)C)=O,"InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1",WJOHZNCJWYWUJD-IUGZLZTKSA-N
BMGC_DG16794,BMG_DG215402,,C(C(c1ccc(cc1)Br)=O)(c2ccc(cc2)Br)=O,,NYCBYBDDECLFPE-UHFFFAOYSA-N
BMGC_DG16795,BMG_DG215449,,c12c(oc(cc1=O)-c3ccc(cc3)O)c(O)c(c(c2O)O)O,,SPZXXUUDYMHBSG-UHFFFAOYSA-N
BMGC_DG16796,BMG_DG215452,CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O,[C@]123[C@@](Oc4c1c(ccc4OC)CN(CC2)C)(C[C@H](C=C3)O)[H];N1(CC[C@]23c4c(C1)ccc(c4O[C@]2(C[C@H](C=C3)O)[H])OC)C,"InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1",ASUTZQLVASHGKV-JDFRZJQESA-N
BMGC_DG16797,BMG_DG215473,,P(Cc1c2c(cccc2)ccc1)(=O)(O)O,,LYGCMUNBGIOQAB-UHFFFAOYSA-N
BMGC_DG16798,BMG_DG215476,COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O,Oc1c(OC)c(OC)c(OC)c2oc(-c3ccc(OC)cc3)cc(=O)c21,"InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)13-9-12(20)14-15(21)17(23-2)19(25-4)18(24-3)16(14)26-13/h5-9,21H,1-4H3",LXEVSYZNYDZSOB-UHFFFAOYSA-N
BMGC_DG16799,BMG_DG215495,,C1(=C(C(=O)c2c(C1=O)nccc2)N)Cl,,KWGIFJNXSKZGKI-UHFFFAOYSA-N
BMGC_DG16800,BMG_DG215505,,Cc1cccc(C(=O)Nc2cccc(C)n2)c1,,AKCGNQRHTCXVRF-UHFFFAOYSA-N
BMGC_DG16801,BMG_DG215514,C#CCC1(CCCCC1)OC(=O)N,C(OC1(CC#C)CCCCC1)(=O)N,"InChI=1S/C10H15NO2/c1-2-6-10(13-9(11)12)7-4-3-5-8-10/h1H,3-8H2,(H2,11,12)",MIRHIEAGDGUXKL-UHFFFAOYSA-N
BMGC_DG16802,BMG_DG215549,,c12c(cccc1)oc(c2C(c3ccc(cc3)O)=O)CCCC,,ZHGKQUXXASLVQQ-UHFFFAOYSA-N
BMGC_DG16803,BMG_DG215560,C1=C(NC(=O)NC1=O)C(=O)O,c1(cc(=O)[nH]c([nH]1)=O)C(=O)O,"InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)",PXQPEWDEAKTCGB-UHFFFAOYSA-N
BMGC_DG16804,BMG_DG215566,,N1c2c3c(c4c(c(ccc4)OC)c2)c5c(cc3C1=O)OCO5,,MXOKGWUJNGEKBH-UHFFFAOYSA-N
BMGC_DG16805,BMG_DG215590,,C(c1ccc(cc1)F)(=O)CBr,,ZJFWCELATJMDNO-UHFFFAOYSA-N
BMGC_DG16806,BMG_DG215597,,[C@]12([C@]([C@]3([C@]([C@@](C)(O)CC3)(C)CC1)[H])(CC[C@@]4([C@@]2(Cc5conc5C4)C)[H])[H])[H],,NSYTUNFHWYMMHU-IYRCEVNGSA-N
BMGC_DG16807,BMG_DG215600,CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC1)[H])(CCC(=O)C4)[H])[H])(CC[C@@H]2OC(=O)CCCCCCCCC)[H])C,"InChI=1S/C28H44O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h19,22-26H,3-18H2,1-2H3/t22-,23+,24+,25-,26-,28-/m0/s1",JKWKMORAXJQQSR-MOPIKTETSA-N
BMGC_DG16808,BMG_DG215607,C1=NC(=C(N1)C(=O)N)N,c1(c(nc[nH]1)N)C(=O)N,"InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)",DVNYTAVYBRSTGK-UHFFFAOYSA-N
BMGC_DG16809,BMG_DG215609,,C(N[C@H](C)C(O)=O)([C@H](C)N)=O,,DEFJQIDDEAULHB-IUYQGCFVSA-N
BMGC_DG16810,BMG_DG215613,CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C,C1=2c3c4c(n(C)cc4C[C@]1(N(C)C[C@@H](C2)C(N[C@H](CO)CC)=O)[H])ccc3,"InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1",KPJZHOPZRAFDTN-ZRGWGRIASA-N
BMGC_DG16811,BMG_DG215637,,c1(c2c([nH]c1C)c(ccc2)C)C,,USKKDNORVCJALM-UHFFFAOYSA-N
BMGC_DG16812,BMG_DG215640,CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)OC(=O)CCC,n1([C@H]2[C@@H]([C@@H]3OP(O)(=O)OC[C@H]3O2)OC(=O)CCC)c4c(c(NC(=O)CCC)ncn4)nc1,"InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/t10-,14-,15-,18-/m1/s1",CJGYSWNGNKCJSB-YVLZZHOMSA-N
BMGC_DG16813,BMG_DG215642,,c1c(S(=O)(N)=O)ccc2c1CCC2,,XVQJTFMKKZBBSX-UHFFFAOYSA-N
BMGC_DG16814,BMG_DG215645,C1=CC=C(C=C1)C2=CC(=O)C=CC2=O,C=1(c2ccccc2)C(C=CC(C1)=O)=O,InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H,RLQZIECDMISZHS-UHFFFAOYSA-N
BMGC_DG16815,BMG_DG215650,,O=Cc1cc(Br)ccc1OCC(=O)O,,KXRYNWDCFUKVNN-UHFFFAOYSA-N
BMGC_DG16816,BMG_DG215656,,c1(c(c2cccc3c2c1ccc3)=O)=C(C#N)C#N,,WYZUQHDRPNJOCG-UHFFFAOYSA-N
BMGC_DG16817,BMG_DG215657,,n1c2c(cc3c(c2)cccc3)nc4c1cccc4,,NGGAOVMKLWBCHL-UHFFFAOYSA-N
BMGC_DG16818,BMG_DG215665,C1=CC=C(C=C1)C(C2=CC=CC=C2)[S@](=O)CC(=O)N,c1(C([S@@+](CC(N)=O)[O-])c2ccccc2)ccccc1,"InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m1/s1",YFGHCGITMMYXAQ-LJQANCHMSA-N
BMGC_DG16819,BMG_DG215683,,[N+](c1c(C#N)ccc(c1)Cl)([O-])=O,,OZKOAADVLVCNFO-UHFFFAOYSA-N
BMGC_DG16820,BMG_DG215687,COC1=C(C=C(C=C1)C(=O)C2=NC=CC3=CC(=C(C=C32)OC)OC)OC,c1(c2cc(OC)c(cc2ccn1)OC)C(c3cc(OC)c(cc3)OC)=O,"InChI=1S/C20H19NO5/c1-23-15-6-5-13(10-16(15)24-2)20(22)19-14-11-18(26-4)17(25-3)9-12(14)7-8-21-19/h5-11H,1-4H3",QJTBIAMBPGGIGI-UHFFFAOYSA-N
BMGC_DG16821,BMG_DG215691,CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42,c12c3c(OC(C=C3)(C)C)c(cc1c4ccccc4[nH]2)C,"InChI=1S/C18H17NO/c1-11-10-14-12-6-4-5-7-15(12)19-16(14)13-8-9-18(2,3)20-17(11)13/h4-10,19H,1-3H3",GAEQWKVGMHUUKO-UHFFFAOYSA-N
BMGC_DG16822,BMG_DG215693,CN1CCN(CC1)C(=O)O[C@H]2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl,N1([C@H](c2nccnc2C1=O)OC(N3CCN(CC3)C)=O)c4ncc(cc4)Cl,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m0/s1",GBBSUAFBMRNDJC-INIZCTEOSA-N
BMGC_DG16823,BMG_DG215703,C1=CC(=C(C=C1Cl)Cl)CO[C@H](CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl,c1(c(cc(cc1)Cl)Cl)[C@@H](Cn2cncc2)OCc3c(cc(cc3)Cl)Cl,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m1/s1",BYBLEWFAAKGYCD-GOSISDBHSA-N
BMGC_DG16824,BMG_DG215706,COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O,c1(c(ccc(\C=C\C(CC(/C=C/c2cc(OC)c(cc2)O)=O)=O)c1)O)OC,"InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+",VFLDPWHFBUODDF-FCXRPNKRSA-N
BMGC_DG16825,BMG_DG215725,C(C(=O)C(=O)O)C(=O)O,C(CC(O)=O)(C(O)=O)=O,"InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)",KHPXUQMNIQBQEV-UHFFFAOYSA-N
BMGC_DG16826,BMG_DG215726,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,P(OC[C@H]1O[C@@H](n2c([nH]c(=O)c(c2)C)=O)C[C@@H]1O)(O)(=O)O,"InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",GYOZYWVXFNDGLU-XLPZGREQSA-N
BMGC_DG16827,BMG_DG215740,CC(C)NC(=O)C1=CC=C(C=C1)CNNC.Cl,C(NC(C)C)(c1ccc(cc1)CNNC)=O.Cl,"InChI=1S/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H",DERJYEZSLHIUKF-UHFFFAOYSA-N
BMGC_DG16828,BMG_DG215744,,Clc1cc(-c2cc(Cl)c(O)c(Cl)c2)cc(Cl)c1O,,YCYDXOVJXVALHY-UHFFFAOYSA-N
BMGC_DG16829,BMG_DG215772,,c1(c[nH]c2c1cccc2)C[C@@H](C(NCC(=O)O)=O)N,,UYKREHOKELZSPB-JTQLQIEISA-N
BMGC_DG16830,BMG_DG215780,,c12c(NC(=O)c3ccccc3)ncnc1[nH]cn2,,QQJXZVKXNSFHRI-UHFFFAOYSA-N
BMGC_DG16831,BMG_DG215792,C(=O)(C(=O)O)O,C(=O)(C(=O)O)O,"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)",MUBZPKHOEPUJKR-UHFFFAOYSA-N
BMGC_DG16832,BMG_DG215844,C(C(C(=O)C(=O)O)C(=O)O)C(=O)O,OC(=O)C(C(CC(O)=O)C(=O)O)=O,"InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)",UFSCUAXLTRFIDC-UHFFFAOYSA-N
BMGC_DG16833,BMG_DG215849,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O,c1(ccc(c(c1)O)OC)-c2cc(=O)c3c(O)c(c(OC)cc3o2)OC,"InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3",KLAOKWJLUQKWIF-UHFFFAOYSA-N
BMGC_DG16834,BMG_DG215852,CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)O,n1c-2c(cc3cc(ccc13)O)Cn4c(c5c(cc42)[C@@](C(OC5)=O)(O)CC)=O,"InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1",HAWSQZCWOQZXHI-FQEVSTJZSA-N
BMGC_DG16835,BMG_DG215860,,n1(c(cc(c2c1cccc2)C)=O)C,,CEONKCOBRZOYJS-UHFFFAOYSA-N
BMGC_DG16836,BMG_DG215869,,c1(ccc(O)cc1)CCNC,,AXVZFRBSCNEKPQ-UHFFFAOYSA-N
BMGC_DG16837,BMG_DG215877,,C(=N/c1ccc(O)cc1)\c2ccc(OC)cc2,,YONXPYGTYHMKDH-XNTDXEJSSA-N
BMGC_DG16838,BMG_DG215889,C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,,"InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1",WHSIXKUPQCKWBY-IOSLPCCCSA-N
BMGC_DG16839,BMG_DG215890,,c1(c(Nc2cc(C(=O)O)ccc2)cccc1)C(=O)O,,XBGBRSWGOUAIBM-UHFFFAOYSA-N
BMGC_DG16840,BMG_DG215901,C1=CC(=CC=C1N)F,c1(ccc(F)cc1)N,"InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2",KRZCOLNOCZKSDF-UHFFFAOYSA-N
BMGC_DG16841,BMG_DG215912,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)OC)OC,c1(c(oc2c(c1=O)c(cc(OC)c2)OC)-c3cc(OC)c(cc3)OC)OC,"InChI=1S/C20H20O7/c1-22-12-9-15(25-4)17-16(10-12)27-19(20(26-5)18(17)21)11-6-7-13(23-2)14(8-11)24-3/h6-10H,1-5H3",ALGDHWVALRSLBT-UHFFFAOYSA-N
BMGC_DG16842,BMG_DG215932,,C([C@@H](C(=O)O)NC(=O)CN)C(=O)O,,SCCPDJAQCXWPTF-VKHMYHEASA-N
BMGC_DG16843,BMG_DG215933,CC(C)C[C@@H](C(=O)NCC(=O)O)N,,"InChI=1S/C8H16N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1",LESXFEZIFXFIQR-LURJTMIESA-N
BMGC_DG16844,BMG_DG215946,,c12c(C(=O)O)ccnc1c(O)ccc2,,KPTUKANGPPVLMD-UHFFFAOYSA-N
BMGC_DG16845,BMG_DG215947,,c1(nc(N)nc(n1)N)-c2c(Cl)cccc2,,RDRNLYCDZBVQKZ-UHFFFAOYSA-N
BMGC_DG16846,BMG_DG215948,C(=O)(C(=O)O)N,NC(C(O)=O)=O,"InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)",SOWBFZRMHSNYGE-UHFFFAOYSA-N
BMGC_DG16847,BMG_DG215970,,C(Nc1cc(Cl)c(cc1)Cl)(=O)NO,,VKYZMAVGJARVPE-UHFFFAOYSA-N
BMGC_DG16848,BMG_DG215974,C1=CC(=CC=C1CN)O,c1(ccc(cc1)CN)O,"InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2",RQJDUEKERVZLLU-UHFFFAOYSA-N
BMGC_DG16849,BMG_DG215976,,N1(c2ccc(cc2)Cl)CCNCC1,,UNEIHNMKASENIG-UHFFFAOYSA-N
BMGC_DG16850,BMG_DG215979,CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=C2C=C(C=C4)OC,,"InChI=1S/C19H19NO2/c1-11-9-15-14-10-12(21-4)5-6-16(14)20-17(15)13-7-8-19(2,3)22-18(11)13/h5-10,20H,1-4H3",OSERHKINMDLESD-UHFFFAOYSA-N
BMGC_DG16851,BMG_DG215981,C(C[C@@H](C(=O)O)N)CNC(=O)N,C(=O)(NCCC[C@@H](C(=O)O)N)N,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",RHGKLRLOHDJJDR-BYPYZUCNSA-N
BMGC_DG16852,BMG_DG215995,,n1(nc(C)cc1C)C(=N)N,,GAZRNXIMWKZADY-UHFFFAOYSA-N
BMGC_DG16853,BMG_DG215996,,C1(=C(C(c2ccccc2C1=O)=O)Cl)NCCO,,MNAMDFQYYYJMKZ-UHFFFAOYSA-N
BMGC_DG16854,BMG_DG216001,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,c1([N+]([O-])=O)cc([N+]([O-])=O)ccc1SC[C@@H](C(NCC(=O)O)=O)NC(=O)CC[C@@H](C(=O)O)N,"InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1",FXEUKVKGTKDDIQ-UWVGGRQHSA-N
BMGC_DG16855,BMG_DG216002,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,[C@H](C(NCC(=O)O)=O)(NC(=O)CC[C@@H](C(=O)O)N)CSCCCCCC,"InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1",HXJDWCWJDCOHDG-RYUDHWBXSA-N
BMGC_DG16856,BMG_DG216003,C1=CC(=CC=C1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],,"InChI=1S/C17H22N4O8S/c18-12(17(26)27)5-6-14(22)20-13(16(25)19-7-15(23)24)9-30-8-10-1-3-11(4-2-10)21(28)29/h1-4,12-13H,5-9,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1",OAWORKDPTSAMBZ-STQMWFEESA-N
BMGC_DG16857,BMG_DG216007,,c12oc(-c3ccc(cc3)OC)cc(c1ccc4c2cccc4)=O,,VWTRBKIMTDCGDL-UHFFFAOYSA-N
BMGC_DG16858,BMG_DG216024,,,,
BMGC_DG16859,BMG_DG216032,,S(c1ccc(\N=N\C(C#N)C#N)cc1)(=O)(=O)N,,LZKLFPQFCFFTEA-BUHFOSPRSA-N
BMGC_DG16860,BMG_DG216054,,c12-c3c(cc(cc3)OC)C(c4c1c(ccn4)cc5c2OCO5)=O,,WLXLLQQGGGHOMA-UHFFFAOYSA-N
BMGC_DG16861,BMG_DG216073,C([C@@H](C(=O)O)N)C(=O)NO,,"InChI=1S/C4H8N2O4/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1",ZBYVTTSIVDYQSO-REOHCLBHSA-N
BMGC_DG16862,BMG_DG216081,,c1(scnn1)NCNc2scnn2,,WMAHFAYLCMTHCB-UHFFFAOYSA-N
BMGC_DG16863,BMG_DG216089,,c12c(c3c(cccc3)[nH]c1cc(OC)cc2OC)=O,,BILBOTFLFDBNNB-UHFFFAOYSA-N
BMGC_DG16864,BMG_DG216091,O=O,O=O,InChI=1S/O2/c1-2,MYMOFIZGZYHOMD-UHFFFAOYSA-N
BMGC_DG16865,BMG_DG216095,,P(=O)(O)(O)C(N)C,,UIQSKEDQPSEGAU-UHFFFAOYSA-N
BMGC_DG16866,BMG_DG216128,C1=CC(=CC=C1C(=O)O)N,C(c1ccc(cc1)N)(=O)O,"InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)",ALYNCZNDIQEVRV-UHFFFAOYSA-N
BMGC_DG16867,BMG_DG216131,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)F)(C=CC(=O)C4)C)[H])(C[C@@H]([C@@]2(C(=O)CO)O)C)[H])C,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",UREBDLICKHMUKA-DVTGEIKXSA-N
BMGC_DG16868,BMG_DG216139,,C(OC(N[C@H](Cc1ccccc1)C(O)=O)=O)C2c3c(-c4c2cccc4)cccc3,,SJVFAHZPLIXNDH-JOCHJYFZSA-N
BMGC_DG16869,BMG_DG216148,,COc1ccc2c(c1)C(=O)CC(c3ccccc3)O2,,YURQMHCZHLMHIB-UHFFFAOYSA-N
BMGC_DG16870,BMG_DG216158,C1=CC(=CC=C1CC(=O)C(=O)O)O,C(C(O)=O)(Cc1ccc(O)cc1)=O,"InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)",KKADPXVIOXHVKN-UHFFFAOYSA-N
BMGC_DG16871,BMG_DG216164,C[C@@H]1CC2C3CCC4=CC(=O)C=CC4([C@]3(C(CC2(C1C(=O)CO)C)O)F)C,,"InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15?,16?,18?,19?,20?,21?,22+/m1/s1",VWVSBHGCDBMOOT-OKPPOTDYSA-N
BMGC_DG16872,BMG_DG216170,[OH-].[O-2].[Fe+3],[OH-].[O-2].[Fe+3],InChI=1S/Fe.H2O.O/h;1H2;/q+3;;-2/p-1,IEECXTSVVFWGSE-UHFFFAOYSA-M
BMGC_DG16873,BMG_DG216173,,NC1=NCCCCC1,,GTLJSJNKRLFVSJ-UHFFFAOYSA-N
BMGC_DG16874,BMG_DG216191,,c1c([nH]cn1)CCCCCN,,MZCJWLAXZRFUPI-UHFFFAOYSA-N
BMGC_DG16875,BMG_DG216208,,c12ccccc1n3c(CCNCC3)c2,,XORPZYQOYUSNCQ-UHFFFAOYSA-N
BMGC_DG16876,BMG_DG216209,C1=CC(=CC=C1/C=C(/C#N)\C(=O)O)O,,"InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5-",AFVLVVWMAFSXCK-YVMONPNESA-N
BMGC_DG16877,BMG_DG216212,,C(Oc1cccnc1)[C@H]2N(C)CCC2,,MVLJPWPLDPHKST-JTQLQIEISA-N
BMGC_DG16878,BMG_DG216214,C1=CC=C(C=C1)[C@H](CC2=CC=CC=N2)N,c1c(cccc1)[C@H](Cc2ccccn2)N,"InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2/t13-/m0/s1",FWUQWDCOOWEXRY-ZDUSSCGKSA-N
BMGC_DG16879,BMG_DG216215,,Cc1nc(C#Cc2cccnc2)cs1,,NRBNGHCYDWUVLC-UHFFFAOYSA-N
BMGC_DG16880,BMG_DG216223,C1CN2CCC1[C@@]3(C2)CC4=C(O3)N=CC=C4,C12[C@]3(CN(CC1)CC2)Oc4c(cccn4)C3,"InChI=1S/C13H16N2O/c1-2-10-8-13(16-12(10)14-5-1)9-15-6-3-11(13)4-7-15/h1-2,5,11H,3-4,6-9H2/t13-/m0/s1",OCKIPDMKGPYYJS-ZDUSSCGKSA-N
BMGC_DG16881,BMG_DG216226,,C1(NC(=O)CC[C@@]1(c2ccncc2)CC)=O,,QXKJWHWUDVQATH-GFCCVEGCSA-N
BMGC_DG16882,BMG_DG216230,,CCCN1CCO[C@H](c2cccc(O)c2)C1,,WYEGTIGJSHGEID-ZDUSSCGKSA-N
BMGC_DG16883,BMG_DG216231,C[C@H]1CC(C[C@@H]1C)(CC(=O)O)CN,C1(C[C@H](C)[C@H](C1)C)(CC(=O)O)CN,"InChI=1S/C10H19NO2/c1-7-3-10(6-11,4-8(7)2)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8-/m0/s1",IUVMAUQEZFTTFB-YUMQZZPRSA-N
BMGC_DG16884,BMG_DG216239,,O(c1c2c(ccc1OC)CCC2)[C@H]3CCNC3,,QDJAYXYEXHVXJV-NSHDSACASA-N
BMGC_DG16885,BMG_DG216241,,Cc1ccc(-c2c(cccc2)-c3[nH]nnn3)cc1,,VWOJMXKARYCRCC-UHFFFAOYSA-N
BMGC_DG16886,BMG_DG216246,C/C=C/1\[C@@H]2CC3=C([C@@]1(CC(=C2)C)N)C=CC(=O)N3,,"InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1",ZRJBHWIHUMBLCN-HZRLMBICSA-N
BMGC_DG16887,BMG_DG216254,C[C@H]1[C@@](OCC(N1)(C)C)(C2=CC(=CC=C2)Cl)O,[C@@]1(OCC(N[C@H]1C)(C)C)(c2cc(Cl)ccc2)O,"InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1",RCOBKSKAZMVBHT-TVQRCGJNSA-N
BMGC_DG16888,BMG_DG216258,,C(c1ccc(cc1)Cl)(=O)N[C@H]2CN3CCC2CC3,,WECKJONDRAUFDD-ZDUSSCGKSA-N
BMGC_DG16889,BMG_DG216261,,c1c(c2c([n+]3ccccc31)c(ccc2)Cl)O,,FLJBLCAZPFDCPE-UHFFFAOYSA-O
BMGC_DG16890,BMG_DG216269,,[C@@H](C1(O)CCCCC1)(c2ccc(cc2)OC)CN(C)C,,PNVNVHUZROJLTJ-INIZCTEOSA-N
BMGC_DG16891,BMG_DG216273,CCCN1CCC(CC1)C2=CC(=CC=C2)S(=O)(=O)C,c1cc(C2CCN(CC2)CCC)cc(S(C)(=O)=O)c1,"InChI=1S/C15H23NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-6,12-13H,3,7-11H2,1-2H3",YGKUEOZJFIXDGI-UHFFFAOYSA-N
BMGC_DG16892,BMG_DG216274,CCCN1CCC[C@H](C1)C2=CC(=CC=C2)S(=O)(=O)C,S(c1cc([C@H]2CN(CCC)CCC2)ccc1)(=O)(=O)C,"InChI=1S/C15H23NO2S/c1-3-9-16-10-5-7-14(12-16)13-6-4-8-15(11-13)19(2,17)18/h4,6,8,11,14H,3,5,7,9-10,12H2,1-2H3/t14-/m1/s1",GZVBVBMMNFIXGE-CQSZACIVSA-N
BMGC_DG16893,BMG_DG216281,C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])I,c1cc(c(cc1C(N)=O)[N+](=O)[O-])I,"InChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)",MDOJTZQKHMAPBK-UHFFFAOYSA-N
BMGC_DG16894,BMG_DG216286,,,,
BMGC_DG16895,BMG_DG216294,C1C[C@H](N(C1)C(=O)CNCCNC2=NC=C(C=C2)C#N)C#N,O=C(CNCCNc1ccc(cn1)C#N)N2[C@@H](CCC2)C#N,"InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1",VFFZWMWTUSXDCB-ZDUSSCGKSA-N
BMGC_DG16896,BMG_DG216296,,C(Cc1cc(Cl)c(Cl)cc1)N2C[C@]3(N(CC2)CCC3)[H],,IGVDQXLOMXGWKN-ZDUSSCGKSA-N
BMGC_DG16897,BMG_DG216302,,Clc1nc(ccc1C(F)(F)F)N2CCNCC2,,QZYYPQAYSFBKPW-UHFFFAOYSA-N
BMGC_DG16898,BMG_DG216306,CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)[C@]3(CCN4C3=CN=C4)O,c1cc2c(cc1C(NC)=O)ccc(c2)[C@@]3(c4n(CC3)cnc4)O,"InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1",OZPFIJIOIVJZMN-SFHVURJKSA-N
BMGC_DG16899,BMG_DG216309,,n1ccccc1N2CCN(CC2)Cc3cc4cc(F)ccc4[nH]3,,PQOIDBZLMJMYCD-UHFFFAOYSA-N
BMGC_DG16900,BMG_DG216314,,N1(CCCC1)CCN(CC)CCc2cc(c(cc2)Cl)Cl,,NMEAEGORKFOIDR-UHFFFAOYSA-N
BMGC_DG16901,BMG_DG216317,CC(=NCCSCC[C@@H](C(=O)O)N)N,C([C@@H](N)CCSCCNC(C)=N)(=O)O,"InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1",MOLOJNHYNHBPCW-ZETCQYMHSA-N
BMGC_DG16902,BMG_DG216321,,n1(c(c(-c2ccc(cc2)F)nc1)-c3ccncc3)C4CCNCC4,,QBACMJFLMUCPNA-UHFFFAOYSA-N
BMGC_DG16903,BMG_DG216324,C1CN2CCC1N(CC2)C(=O)OC3=CC=C(C=C3)Br,N12CCC(CC1)N(CC2)C(=O)Oc3ccc(cc3)Br,"InChI=1S/C14H17BrN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2",RXLOZRCLQMJJLC-UHFFFAOYSA-N
BMGC_DG16904,BMG_DG216325,COC1=C(C=C2C(=C1)CC3=C2NN=C3NC4=CC(=CC=C4)F)OC,,"InChI=1S/C18H16FN3O2/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)",ZDNURMVOKAERHZ-UHFFFAOYSA-N
BMGC_DG16905,BMG_DG216327,,C(CN(CCN1CCCC1)CC=C)c2cc(Cl)c(Cl)cc2,,IKFDBDJFYBCATB-UHFFFAOYSA-N
BMGC_DG16906,BMG_DG216328,,C(OC)(=O)[C@H]1[C@H](C[C@H]2N([C@@H]1CC2)C)c3cc(Cl)c(cc3)Cl,,AMIHUYQKNJHXPT-DRABBMOASA-N
BMGC_DG16907,BMG_DG216332,C1=CC=C(C=C1)[C@@H](CCN)OC2=CC=C(C=C2)C(F)(F)F,c1cc(O[C@H](CCN)c2ccccc2)ccc1C(F)(F)F,"InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1",WIQRCHMSJFFONW-OAHLLOKOSA-N
BMGC_DG16908,BMG_DG216333,,n1nc(n(c1C2CC2)C3CC3)[C@@]4(C[C@H](C4)F)c5ccc(cc5)Cl,,OGYZYOKAXYFLIU-PPUGGXLSSA-N
BMGC_DG16909,BMG_DG216335,,,,
BMGC_DG16910,BMG_DG216336,,,,
BMGC_DG16911,BMG_DG216348,,C1(C(=C(CC1)c2ccc(cc2)S(=O)(=O)C)c3cc(cc(c3)F)F)=O,,ULFYMTMZNITFSB-UHFFFAOYSA-N
BMGC_DG16912,BMG_DG216351,,C(CCC(=O)c1ccc(Cl)cc1)(=O)N2CCN(CC2)C3CCCC3,,VPARRMQGLNFBBR-UHFFFAOYSA-N
BMGC_DG16913,BMG_DG216356,CNC(=O)C1=CN=C(C=C1)OC2=CC3=C(CCN(CC3)C4CCC4)C=C2,c1c(ccc(n1)Oc2cc3c(CCN(CC3)C4CCC4)cc2)C(=O)NC,"InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)",WROHEWWOCPRMIA-UHFFFAOYSA-N
BMGC_DG16914,BMG_DG216360,,Cc1c(C(c2ccc(Nc3c(C)cc(F)cc3)cc2Cl)=O)cccc1,,QIBLVZMAUUVSMB-UHFFFAOYSA-N
BMGC_DG16915,BMG_DG216361,,O[C@]1(C[C@H]([C@H]([C@@H](C1)O)OC(=O)/C=C/c2ccc(O)c(c2)O)O)C(O)=O,,GYFFKZTYYAFCTR-JUHZACGLSA-N
BMGC_DG16916,BMG_DG216365,,Nc1nc2c(cnn2CCCc3ccccc3)c4nc(-c5ccco5)nn14,,XMXGGIWSFRIOKL-UHFFFAOYSA-N
BMGC_DG16917,BMG_DG216368,,c1(nc(c(cn1)C2CC2)N)-c3nn(c4c3cccn4)Cc5c(cccc5)F,,ATOAHNRJAXSBOR-UHFFFAOYSA-N
BMGC_DG16918,BMG_DG216369,,C1CCC1c2cc3nnc(-c4ccccc4)n3nc2OCc5ncnn5C,,VACJUKKURQMWHE-UHFFFAOYSA-N
BMGC_DG16919,BMG_DG216376,C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC(=O)C4=CC=C(C=C4)F,C1(N(Cc2ccccc12)CC3CCN(CC3)CC(=O)c4ccc(cc4)F)=O,"InChI=1S/C22H23FN2O2/c23-19-7-5-17(6-8-19)21(26)15-24-11-9-16(10-12-24)13-25-14-18-3-1-2-4-20(18)22(25)27/h1-8,16H,9-15H2",RNRYULFRLCBRQS-UHFFFAOYSA-N
BMGC_DG16920,BMG_DG216377,CC1=CC=C(C=C1)CN(C2CCN(CC2)C)C(=O)CC3=CC=C(C=C3)OC,c1(ccc(cc1)OC)CC(=O)N(C2CCN(CC2)C)Cc3ccc(cc3)C,"InChI=1S/C23H30N2O2/c1-18-4-6-20(7-5-18)17-25(21-12-14-24(2)15-13-21)23(26)16-19-8-10-22(27-3)11-9-19/h4-11,21H,12-17H2,1-3H3",AHGNJBSTWQOSAB-UHFFFAOYSA-N
BMGC_DG16921,BMG_DG216381,CCCCCOC1=CC=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43,C(=O)(c1c2c(c(cc1)OCCCCC)cccc2)c3c4c(ccc3)cccc4,"InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3",RSUMDJRTAFBISX-UHFFFAOYSA-N
BMGC_DG16922,BMG_DG216382,CS(=O)(=O)NC1=C(C=C2C(=C1)CCC2=O)SC3=C(C=C(C=C3)F)F,,"InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3",HDUWKQUHMUSICC-UHFFFAOYSA-N
BMGC_DG16923,BMG_DG216384,CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)S(=O)(=O)C,c1c(c(cc(c1C(NC(N)=N)=O)C)S(C)(=O)=O)S(C)(=O)=O,"InChI=1S/C11H15N3O5S2/c1-6-4-8(20(2,16)17)9(21(3,18)19)5-7(6)10(15)14-11(12)13/h4-5H,1-3H3,(H4,12,13,14,15)",GROMEQPXDKRRIE-UHFFFAOYSA-N
BMGC_DG16924,BMG_DG216388,,c1cc(c(c2n(c3ccccc3c(c21)=O)CCCN)C)C,,CFPDEQBPNROZDC-UHFFFAOYSA-N
BMGC_DG16925,BMG_DG216392,CCC(CC)C(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)N4C=NC=N4,c1(ccc(C(C(CC)CC)n2cncn2)cc1)Nc3sc4c(n3)cccc4,"InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)",SNFYYXUGUBUECJ-UHFFFAOYSA-N
BMGC_DG16926,BMG_DG216393,,Oc1cc(C23CC4CC(C2)CC(C3)C4)cc5c1[C@]6([C@](C(O5)(C)C)(CC=C(C6)C)[H])[H],,RPBMPWGKZFLMFN-OKFSJJLXSA-N
BMGC_DG16927,BMG_DG216395,C(C(=O)C(=O)O)S,C(C(=O)O)(=O)CS,"InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)",OJOLFAIGOXZBCI-UHFFFAOYSA-N
BMGC_DG16928,BMG_DG216396,C1=CC(=CC=C1[N+](=O)[O-])O,c1cc(ccc1[N+](=O)[O-])O,"InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H",BTJIUGUIPKRLHP-UHFFFAOYSA-N
BMGC_DG16929,BMG_DG216406,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O,,"InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13?,14+/m1/s1",KFEUJDWYNGMDBV-RPHKZZMBSA-N
BMGC_DG16930,BMG_DG216414,C1=CC(=CN=C1)/C=C/C(=O)NCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)F)N,C(c1ccc(cc1)CNC(/C=C/c2cnccc2)=O)(=O)Nc3c(ccc(c3)F)N,"InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+",WXHHICFWKXDFOW-BJMVGYQFSA-N
BMGC_DG16931,BMG_DG216417,,c12nc(cc(n1nc(c2-c3c(cc(cc3)Cl)Cl)C)N(CC)CCCC)C,,DVFPSRARRBNMBH-UHFFFAOYSA-N
BMGC_DG16932,BMG_DG216422,C[C@@H](C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=NOC(=C3)/N=C(\N)/N4CCOCC4,[C@H](c1cc(c(-c2ccccc2)cc1)F)(c3noc(c3)NC(N4CCOCC4)=N)C,"InChI=1S/C22H23FN4O2/c1-15(17-7-8-18(19(23)13-17)16-5-3-2-4-6-16)20-14-21(29-26-20)25-22(24)27-9-11-28-12-10-27/h2-8,13-15H,9-12H2,1H3,(H2,24,25)/t15-/m0/s1",MYTIJGWONQOOLC-HNNXBMFYSA-N
BMGC_DG16933,BMG_DG216438,,c12[C@H]([C@@H](Cc3cnccc3)COc1ccc(c2)OCc4nc5ccccc5cc4)O,,HEVNATFMGRLJPZ-DFBJGRDBSA-N
BMGC_DG16934,BMG_DG216439,CC(CC1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3,C(c1ccccc1)(c2ccccc2)CCNC(Cc3ccccc3)C,"InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3",IFFPICMESYHZPQ-UHFFFAOYSA-N
BMGC_DG16935,BMG_DG216441,CCC(CC)NC1=C2CCCC2=NC3=C(C(=NN31)C)C4=C(C=C(C=C4)OC)Cl,c12nc3n(c(c1CCC2)NC(CC)CC)nc(c3-c4c(cc(cc4)OC)Cl)C,"InChI=1S/C22H27ClN4O/c1-5-14(6-2)24-21-17-8-7-9-19(17)25-22-20(13(3)26-27(21)22)16-11-10-15(28-4)12-18(16)23/h10-12,14,24H,5-9H2,1-4H3",LDIOUQIXNSSOGU-UHFFFAOYSA-N
BMGC_DG16936,BMG_DG216457,C1CN(CC=C1C2=CC=CC=N2)CCCCN3C(=COC4=CC=CC=C4C3=O)Cl,c1(ccccn1)C2=CCN(CCCCN3C(c4c(OC=C3Cl)cccc4)=O)CC2,"InChI=1S/C23H24ClN3O2/c24-22-17-29-21-9-2-1-7-19(21)23(28)27(22)14-6-5-13-26-15-10-18(11-16-26)20-8-3-4-12-25-20/h1-4,7-10,12,17H,5-6,11,13-16H2",URMTUEWUIGOJBW-UHFFFAOYSA-N
BMGC_DG16937,BMG_DG216460,C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C\4/C[C@H](C[C@@H](C4=C)O)O)C,[C@]12([C@@](/C(=C/C=C/3\C[C@@H](O)C[C@H](O)C3=C)/CCC1)([H])CC[C@@]2([C@@H](/C=C/[C@H](C4CC4)O)C)[H])C,"InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10+/t17-,22-,23-,24+,25-,26+,27-/m1/s1",LWQQLNNNIPYSNX-GMGGYIQASA-N
BMGC_DG16938,BMG_DG216462,CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)C4)C)C)C(C)C,,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,24-27H,7-9,11-18H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1",KYOFIJXMVNQYFC-XJZKHKOHSA-N
BMGC_DG16939,BMG_DG216465,,C(=O)(c1c(cccc1)C)c2c(cc(cc2)Nc3c(cc(cc3)Br)N)Cl,,HDCLCHNAEZNGNV-UHFFFAOYSA-N
BMGC_DG16940,BMG_DG216476,,N1([C@@H]([C@H](C1=O)CCCNC(=N)N)C(=O)O)C(=O)N2CCN(CC2)C(=O)NC(C)(C)C,,MFTQITSPGQORDA-NEPJUHHUSA-N
BMGC_DG16941,BMG_DG216480,COC1=CC=C(C=C1)C2=CC(=NN2C3=CC(=C(C=C3)S(=O)(=O)N)CO)C(F)(F)F,c1(c(cc(cc1)-n2nc(cc2-c3ccc(cc3)OC)C(F)(F)F)CO)S(=O)(=O)N,"InChI=1S/C18H16F3N3O4S/c1-28-14-5-2-11(3-6-14)15-9-17(18(19,20)21)23-24(15)13-4-7-16(29(22,26)27)12(8-13)10-25/h2-9,25H,10H2,1H3,(H2,22,26,27)",MVZNVBXATDCMMJ-UHFFFAOYSA-N
BMGC_DG16942,BMG_DG216487,C#CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3,,"InChI=1S/C21H22N2O4S2/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24)",WXNWNNKHEJMQOM-UHFFFAOYSA-N
BMGC_DG16943,BMG_DG216491,,COc1c2c(c(cc1)C(=O)Nc3c(c[n+](cc3Cl)[O-])Cl)ccc(n2)C(F)(F)F,,RUOGJYKOQBFJIG-UHFFFAOYSA-N
BMGC_DG16944,BMG_DG216501,C1CC(CCC1CCC(=O)O)(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl,[C@H]1(CCC(O)=O)CC[C@@](S(c2ccc(cc2)Cl)(=O)=O)(CC1)c3cc(ccc3F)F,"InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)",XCGJIFAKUZNNOR-QCKZDCLWSA-N;XCGJIFAKUZNNOR-UHFFFAOYSA-N
BMGC_DG16945,BMG_DG216503,,N1(CN(C(C21CCN(CC2)Cc3cccc4ccccc34)=O)CC(=O)OC)c5ccccc5,,AQMPIDSGLFVVPL-UHFFFAOYSA-N
BMGC_DG16946,BMG_DG216515,CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)C)OCC(=O)O,c1(nc(C)c(s1)CSc2cc(C)c(OCC(=O)O)cc2)-c3ccc(C(F)(F)F)cc3,"InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)",YDBLKRPLXZNVNB-UHFFFAOYSA-N
BMGC_DG16947,BMG_DG216522,,n1(c(n(CCCN2CCN(CC2)c3cc(Cl)ccc3)[nH]c1=O)=O)CCOc4ccccc4,,BTNXVMLCKOPOEP-UHFFFAOYSA-N
BMGC_DG16948,BMG_DG216529,,C[C@@]12[C@]([C@]3([C@@](c4c(CC3)cc(OS(=O)(=O)N)c(OC)c4)(CC1)[H])[H])(CC[C@@H]2OS(=O)(=O)N)[H],,AQSNIXKAKUZPSI-SSTWWWIQSA-N
BMGC_DG16949,BMG_DG216534,,c1cc(cc2[C@@]34CCCC[C@@]3([H])[C@H](N(CC4)CC5CCC5)Cc21)O,,YSTAPDGDOHWKQR-CEWLAPEOSA-N
BMGC_DG16950,BMG_DG216540,,c1(c(c(c(O)c(c1)C)C)C)NC([C@@H](SCCCCCCCCCCCC)c2ccccc2)=O,,ZXEIEKDGPVTZLD-NDEPHWFRSA-N
BMGC_DG16951,BMG_DG216541,,O[C@@]1(c2c(N(C1=O)CCN(CC)CC)cc(cc2C(F)(F)F)C(N)=O)c3c(Cl)cccc3,,YSSPGXCFFITNCE-OAQYLSRUSA-N
BMGC_DG16952,BMG_DG216543,COC1=CC(=CC(=C1O)O)C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C(=C4)O)O)O)O)O,O([C@@H]1Cc2c(cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3)O)C(c4cc(O)c(O)c(OC)c4)=O,"InChI=1S/C23H20O11/c1-32-18-5-10(4-16(28)21(18)30)23(31)34-19-8-12-13(25)6-11(24)7-17(12)33-22(19)9-2-14(26)20(29)15(27)3-9/h2-7,19,22,24-30H,8H2,1H3/t19-,22-/m1/s1",WVRDOLPMKOCJRJ-DENIHFKCSA-N
BMGC_DG16953,BMG_DG216547,CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)NC=O)N,c1(C[C@H](C(N[C@@H](NC=O)Cc2c3ccccc3[nH]c2)=O)NC(C(N)(C)C)=O)c4ccccc4[nH]c1,"InChI=1S/C26H30N6O3/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t22-,23-/m1/s1",UJVDJAPJQWZRFR-DHIUTWEWSA-N
BMGC_DG16954,BMG_DG216549,CCCCOC(=O)NS(=O)(=O)C1=C(C=C(S1)CC(C)C)C2=CC=C(C=C2)CN3C=CN=C3,s1c(c(cc1CC(C)C)-c2ccc(cc2)Cn3ccnc3)S(NC(OCCCC)=O)(=O)=O,"InChI=1S/C23H29N3O4S2/c1-4-5-12-30-23(27)25-32(28,29)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27)",XTEOJPUYZWEXFI-UHFFFAOYSA-N
BMGC_DG16955,BMG_DG216551,CCN(CC)CC1=CC2=C(C=C1)C=C(C=C2)COC(=O)NC3=CC=C(C=C3)C(=O)NO,c1cc(ccc1NC(OCc2cc3c(cc2)cc(cc3)CN(CC)CC)=O)C(NO)=O,"InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)",YALNUENQHAQXEA-UHFFFAOYSA-N
BMGC_DG16956,BMG_DG216553,,O1CCc2c1c(ccc2)C(C[C@@](C(=O)Nc3cc4c(noc(c4cc3)=O)C)(C(F)(F)F)O)(C)C,,VRZVKIJRJRBQJT-HSZRJFAPSA-N
BMGC_DG16957,BMG_DG216563,CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C#CCC4CCC(CC4)C(=O)OC)N)O)O,n1c(C#CC[C@@H]2CC[C@H](CC2)C(OC)=O)nc(c3c1n(cn3)[C@@H]4O[C@H](C(NCC)=O)[C@H]([C@H]4O)O)N,"InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12?,13?,16-,17+,18-,22+/m0/s1",FLEVIENZILQUKB-XTWQNQIISA-N;FLEVIENZILQUKB-DMJMAAGCSA-N
BMGC_DG16958,BMG_DG216574,,C1C(CCN(CCc2ccccc2)C1)n3nc(oc3=O)-c4c5OCCOc5c(c(c4)Cl)N,,MDBNTXARNGRHEV-UHFFFAOYSA-N
BMGC_DG16959,BMG_DG216576,,C[C@@H](c1ccccc1)NC(=O)[C@@](NC(OCc2cc3c(cccc3)o2)=O)(C)Cc4c5c(cccc5)[nH]c4,,IVIQHHCTWSXXCT-WENCNXQZSA-N
BMGC_DG16960,BMG_DG216579,CNC(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4,c1cc(ccc1)C(CCN2CCC(CC2)(c3ccc(cc3)Cl)O)(c4ccccc4)C(=O)NC,"InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)",ZMOPTLXEYOVARP-UHFFFAOYSA-N
BMGC_DG16961,BMG_DG216589,CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)C(=O)COC,O([C@@]1(CC[C@]2([C@@]3(CCC4=CC(CCC4=C3[C@]([H])(C[C@@]21C)c5ccc(N(C)C)cc5)=O)[H])[H])C(COC)=O)C(=O)C,"InChI=1S/C31H39NO5/c1-19(33)37-31(28(35)18-36-5)15-14-27-25-12-8-21-16-23(34)11-13-24(21)29(25)26(17-30(27,31)2)20-6-9-22(10-7-20)32(3)4/h6-7,9-10,16,25-27H,8,11-15,17-18H2,1-5H3/t25-,26+,27-,30-,31-/m0/s1",JVBGZFRPTRKSBB-MJBQOYBXSA-N
BMGC_DG16962,BMG_DG216591,CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C,c12cc(C#CC(C)(C)N3CCN(CC3)C)c(NC(C=C)=O)cc1c(Nc4cc(c(cc4)F)Cl)ncn2,"InChI=1S/C27H28ClFN6O/c1-5-25(36)33-23-16-20-24(30-17-31-26(20)32-19-6-7-22(29)21(28)15-19)14-18(23)8-9-27(2,3)35-12-10-34(4)11-13-35/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32)",ZAJXXUDARPGGOC-UHFFFAOYSA-N
BMGC_DG16963,BMG_DG216610,,C(F)(F)(F)c1c(c(=O)n(c(c1)C)C)-c2ccc(cc2)C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O,,IBAZQIKVHCLTHH-SFHVURJKSA-N
BMGC_DG16964,BMG_DG216617,CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)S(=O)(=O)CC(=O)O,N(Cc1cc2c(cc1)ccc(C(=N)N)c2)(S(CC(O)=O)(=O)=O)c3ccc(OC4CCN(C(C)=N)CC4)cc3,"InChI=1S/C27H31N5O5S/c1-18(28)31-12-10-25(11-13-31)37-24-8-6-23(7-9-24)32(38(35,36)17-26(33)34)16-19-2-3-20-4-5-21(27(29)30)15-22(20)14-19/h2-9,14-15,25,28H,10-13,16-17H2,1H3,(H3,29,30)(H,33,34)",NPBKHEMDWREFJJ-UHFFFAOYSA-N
BMGC_DG16965,BMG_DG216622,,CS(=O)(=O)N1CCN(CC1)C2CN(CC[C@@]3(CCC(=O)N(CC4CC4)C3)c5ccc(c(c5)Cl)Cl)C2,,YZMQJVWDZXNEBA-RUZDIDTESA-N
BMGC_DG16966,BMG_DG216625,,CC([C@@H](C(N1CCC[C@H]1C(N[C@H](C(C(F)(F)F)=O)C(C)C)=O)=O)NC(CN2CCN(CC(=O)O)C2=O)=O)C,,DHQQXRRWRZFGDW-WBAXXEDZSA-N
BMGC_DG16967,BMG_DG216627,,c1cc(CN2c3c(cccc3)CC[C@H](C2=O)NC(C(N)(C)C)=O)ccc1-c4ccccc4CNC(=O)NC,,DIWDGCJUJQGVOU-RUZDIDTESA-N
BMGC_DG16968,BMG_DG216636,CC1=C(C=CC(=C1)CCC[C@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](COC)C2=CC=CC=C2)C(C)(C)C)C3=CC=CC=C3,Cc1c(ccc(CCC[C@@H](C(N[C@H](C(N[C@H](COC)c2ccccc2)=O)C(C)(C)C)=O)CC(O)=O)c1)-c3ccccc3,"InChI=1S/C35H44N2O5/c1-24-21-25(19-20-29(24)26-14-8-6-9-15-26)13-12-18-28(22-31(38)39)33(40)37-32(35(2,3)4)34(41)36-30(23-42-5)27-16-10-7-11-17-27/h6-11,14-17,19-21,28,30,32H,12-13,18,22-23H2,1-5H3,(H,36,41)(H,37,40)(H,38,39)/t28-,30-,32-/m1/s1",NSMABJUGSNPHMN-BHYWQNONSA-N
BMGC_DG16969,BMG_DG216640,C1COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)NCC(=O)O)CCCCN)CCC(=O)O,C1(N[C@@H](CCOc2c(C(N[C@H](C(N[C@H]1CCCCN)=O)CCC(O)=O)=O)cc(cc2)[N+]([O-])=O)C(NCC(O)=O)=O)=O,"InChI=1S/C24H32N6O11/c25-9-2-1-3-15-23(37)29-17(22(36)26-12-20(33)34)8-10-41-18-6-4-13(30(39)40)11-14(18)21(35)27-16(24(38)28-15)5-7-19(31)32/h4,6,11,15-17H,1-3,5,7-10,12,25H2,(H,26,36)(H,27,35)(H,28,38)(H,29,37)(H,31,32)(H,33,34)/t15-,16-,17-/m0/s1",DVJXNXPFYJIACK-ULQDDVLXSA-N
BMGC_DG16970,BMG_DG216642,,C(N(Cc1cc(C(F)(F)F)cc(c1)C(F)(F)F)C)(=O)c2c(cc(nc2)N3CCN(CC3)C)-c4c(C)cccc4,,HCNNJLLLMSVTFH-UHFFFAOYSA-N
BMGC_DG16971,BMG_DG216645,CC1=C(C2=C(CC[C@](O2)(C)CN3CCN(CC3)C4=NC(=NC(=C4)N5CCCC5)N6CCCC6)C(=C1O)C)C,,"InChI=1S/C30H44N6O2/c1-21-22(2)28-24(23(3)27(21)37)9-10-30(4,38-28)20-33-15-17-35(18-16-33)26-19-25(34-11-5-6-12-34)31-29(32-26)36-13-7-8-14-36/h19,37H,5-18,20H2,1-4H3/t30-/m1/s1",KPZQRBACZSLMPH-SSEXGKCCSA-N
BMGC_DG16972,BMG_DG216646,CN(C)C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC(=C4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6,c1cc(cc2nc3cc(ccc3c(c21)Nc4ccc(cc4)N(C)C)NC(CCN5CCCC5)=O)NC(CCN6CCCC6)=O,"InChI=1S/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39)",RKPYSYRMIXRZJT-UHFFFAOYSA-N
BMGC_DG16973,BMG_DG216649,CNC(=O)C1=NC=CC(=C1)COC2=NN=C(C3=C2OC=C3)NC4=CC=C(C=C4)Cl,c1(C(NC)=O)nccc(COc2c3c(cco3)c(nn2)Nc4ccc(Cl)cc4)c1,"InChI=1S/C20H16ClN5O3/c1-22-19(27)16-10-12(6-8-23-16)11-29-20-17-15(7-9-28-17)18(25-26-20)24-14-4-2-13(21)3-5-14/h2-10H,11H2,1H3,(H,22,27)(H,24,25)",QFCXANHHBCGMAS-UHFFFAOYSA-N
BMGC_DG16974,BMG_DG216650,,C([C@H]1N(CCC1)C([C@@H](NC(=O)OCc2ccccc2)C(C)C)=O)(=O)N[C@@H](C(C)C)C(=O)c3oc(nn3)Cc4cc(ccc4)C,,FPGAGACTKJTPFT-MYKRZTLLSA-N
BMGC_DG16975,BMG_DG216654,C1=CC2=C(C=C1O)NC3=C4C(=C5C(=C23)C(=O)N(C5=O)NC(CO)CO)C6=C(N4[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C=C(C=C6)O,[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)n2c3c(c4c2cc(cc4)O)c5C(N(C(c5c6c7ccc(O)cc7[nH]c63)=O)NC(CO)CO)=O)O)O)O,"InChI=1S/C29H28N4O11/c34-7-10(8-35)31-33-27(42)20-18-13-3-1-11(37)5-15(13)30-22(18)23-19(21(20)28(33)43)14-4-2-12(38)6-16(14)32(23)29-26(41)25(40)24(39)17(9-36)44-29/h1-6,10,17,24-26,29-31,34-41H,7-9H2/t17-,24-,25+,26-,29-/m1/s1",QMVPQBFHUJZJCS-NTKFZFFISA-N
BMGC_DG16976,BMG_DG216661,,CCCCc1n(c(c(n1)SC)C(O)=O)Cc2ccc(cc2)-c3ccccc3S(=O)(=O)NC(=O)NCCC,,DKCCTYVLJMSFOG-UHFFFAOYSA-N
BMGC_DG16977,BMG_DG216664,,COc1cc(cc(c1OC)OC)C(C(=O)N2CCCC[C@H]2C(=O)OC(CCCc3ccccc3)CCCc4cccnc4)(F)F,,NBYCDVVSYOMFMS-XIJSCUBXSA-N
BMGC_DG16978,BMG_DG216672,CC1=CC=CC=C1OCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC(=O)N3CCC(CC3)C(=O)N)C(=O)O,C(c1ccc(OC(N2CCC(C(=O)N)CC2)=O)cc1)[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)COc3ccccc3C,"InChI=1S/C31H40N4O8/c1-19(2)16-24(33-27(36)18-42-26-7-5-4-6-20(26)3)29(38)34-25(30(39)40)17-21-8-10-23(11-9-21)43-31(41)35-14-12-22(13-15-35)28(32)37/h4-11,19,22,24-25H,12-18H2,1-3H3,(H2,32,37)(H,33,36)(H,34,38)(H,39,40)/t24-,25-/m0/s1",RZMCXMNNXGCFQG-DQEYMECFSA-N
BMGC_DG16979,BMG_DG216679,,O=C(c1ccc\2c(NC(/C2=C(/c3ccccc3)\Nc4ccc(N(C(CN5CCN(C)CC5)=O)C)cc4)=O)c1)OC,,XZXHXSATPCNXJR-ZIADKAODSA-N
BMGC_DG16980,BMG_DG216687,,[C@H](N(C(\C=C\CC(C)(C)N)=O)C)(C(=O)N([C@@H](C(NC)=O)Cc1ccccc1)C)Cc2cc3c(cc2)cccc3,,WURGZWOTGMLDJP-ZCYANPAGSA-N
BMGC_DG16981,BMG_DG216693,CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)/C=C/C4=CC=C(C=C4)C(=O)N(C)C)Cl)Br,,"InChI=1S/C30H28BrCl2N5O4/c1-18-28(31)38-15-5-6-24(29(38)35-18)42-17-21-22(32)12-13-23(27(21)33)37(4)26(40)16-34-25(39)14-9-19-7-10-20(11-8-19)30(41)36(2)3/h5-15H,16-17H2,1-4H3,(H,34,39)/b14-9+",NDOBHDUXUJNXHX-NTEUORMPSA-N
BMGC_DG16982,BMG_DG216695,CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CN,,"InChI=1S/C32H55N9O10/c1-16(2)12-20(38-30(49)26(17(3)4)39-24(44)14-35-23(43)13-33)28(47)40-27(18(5)6)31(50)37-19(9-10-22(34)42)32(51)41-11-7-8-21(41)29(48)36-15-25(45)46/h16-21,26-27H,7-15,33H2,1-6H3,(H2,34,42)(H,35,43)(H,36,48)(H,37,50)(H,38,49)(H,39,44)(H,40,47)(H,45,46)/t19-,20-,21-,26-,27-/m0/s1",ORFLZNAGUTZRLQ-ZMBVWFSWSA-N
BMGC_DG16983,BMG_DG216701,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/NC(=O)CCCCCN6C(=O)C=CC6=O)/CO)O)N)O,c12c(C(=O)c3c(C1=O)cccc3OC)c(O)c4c(c2O)C[C@](/C(=N/NC(CCCCCN5C(C=CC5=O)=O)=O)/CO)(O)C[C@@H]4O[C@@]6(O[C@@H](C)[C@H]([C@H](C6)N)O)[H],"InChI=1S/C37H42N4O13/c1-17-32(46)20(38)13-27(53-17)54-22-15-37(51,23(16-42)39-40-24(43)9-4-3-5-12-41-25(44)10-11-26(41)45)14-19-29(22)36(50)31-30(34(19)48)33(47)18-7-6-8-21(52-2)28(18)35(31)49/h6-8,10-11,17,20,22,27,32,42,46,48,50-51H,3-5,9,12-16,38H2,1-2H3,(H,40,43)/b39-23+/t17-,20-,22-,27-,32+,37-/m0/s1",OBMJQRLIQQTJLR-USGQOSEYSA-N
BMGC_DG16984,BMG_DG216704,,c1cc(ccc1[C@@H](C)N)C(Nc2ccnc3c2cc[nH]3)=O,,JTVBXQAYBIJXRP-SNVBAGLBSA-N
BMGC_DG16985,BMG_DG216706,CC(C)(C)C1=NN=C(O1)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)NC5=C(C=C(C=C5)Cl)F)O)O,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)c3oc(nn3)C(C)(C)C)O)c4c(c(Nc5ccc(cc5F)Cl)ncn4)nc1,"InChI=1S/C21H21ClFN7O4/c1-21(2,3)20-29-28-18(34-20)15-13(31)14(32)19(33-15)30-8-26-12-16(24-7-25-17(12)30)27-11-5-4-9(22)6-10(11)23/h4-8,13-15,19,31-32H,1-3H3,(H,24,25,27)/t13-,14+,15-,19+/m0/s1",ZQYJPMPXQLNTPQ-QCUYGVNKSA-N
BMGC_DG16986,BMG_DG216707,CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C,[C@H]([C@H](C(N[C@@H](Cc1ccccc1)c2nccs2)=O)C)(OC)[C@]3(N(C(C[C@H]([C@@H](N(C(=O)[C@@H](NC([C@H](C(C)C)N(C)C)=O)C(C)C)C)[C@H](CC)C)OC)=O)CCC3)[H],"InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)/t28-,29+,31-,32-,33+,35-,36-,37-,38+/m0/s1",OFDNQWIFNXBECV-VFSYNPLYSA-N
BMGC_DG16987,BMG_DG216715,,Fc1ccc(cc1)-c2[nH]cc(c2-c3ccncc3)C=4CCN5[C@](C4)(CCC5)[H],,KVBWUPVGVUIAIX-FQEVSTJZSA-N
BMGC_DG16988,BMG_DG216721,C1=CC(=CC(=C1)C2=C(C=CC(=C2)CCCCCCC3=CC(=C(C=C3)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=CC(=C5)CC(=O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)CC(=O)O,O1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1Oc2ccc(CCCCCCc3cc(c(cc3)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)-c5cc(ccc5)CC(O)=O)cc2-c6cc(ccc6)CC(O)=O)O)O)O)CO,"InChI=1S/C46H54O16/c47-23-35-39(53)41(55)43(57)45(61-35)59-33-15-13-25(19-31(33)29-11-5-9-27(17-29)21-37(49)50)7-3-1-2-4-8-26-14-16-34(60-46-44(58)42(56)40(54)36(24-48)62-46)32(20-26)30-12-6-10-28(18-30)22-38(51)52/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41+,42+,43+,44+,45+,46+/m1/s1",RYWCQJDEHXJHRI-XJMXIVSISA-N
BMGC_DG16989,BMG_DG216722,,c1(c(cccc1)C(=O)NCCc2cnccc2)-c3c(cccc3)CNC(=O)Cc4ccc(cc4)OC,,CHDSRMIDIQABTP-UHFFFAOYSA-N
BMGC_DG16990,BMG_DG216723,,C1(CCCC1)(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCn2c(n(n(c2=O)-c3ccccc3)-c4ccccc4)=O)CC(=O)N5CCN(CC5)C6c7c(NC(c8c6cccc8)=O)cccc7,,RSJAXPUYVJKAAA-JPGJPTAESA-N
BMGC_DG16991,BMG_DG216727,CCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N,,"InChI=1S/C42H64N12O11/c1-4-6-9-28(50-36(59)29(10-7-16-47-42(44)45)49-35(58)27(43)20-33(56)57)37(60)51-30(18-24-12-14-26(55)15-13-24)38(61)53-34(23(3)5-2)39(62)52-31(19-25-21-46-22-48-25)40(63)54-17-8-11-32(54)41(64)65/h12-15,21-23,27-32,34,55H,4-11,16-20,43H2,1-3H3,(H,46,48)(H,49,58)(H,50,59)(H,51,60)(H,52,62)(H,53,61)(H,56,57)(H,64,65)(H4,44,45,47)/t23-,27-,28-,29-,30-,31-,32-,34-/m0/s1",RUBMHAHMIJSMHA-LBWFYSSPSA-N
BMGC_DG16992,BMG_DG216730,C1CCN(C1)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Br)F)C(=O)N,C1N(CCC1)CCCCNC(Nc2snc(c2C(=O)N)OCc3c(F)cc(cc3F)Br)=O,"InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)",HXHAJRMTJXHJJZ-UHFFFAOYSA-N
BMGC_DG16993,BMG_DG216734,CN([C@@H](CC1=CC=C(C=C1)Cl)C(=O)N(CC2=CC=CC=C2)C(CCC3=CC=NC=C3)CCC4=CC=NC=C4)C(=O)C(=O)C5=CC(=C(C(=C5)OC)OC)OC,c1(c(OC)cc(C(C(N([C@H](C(N(Cc2ccccc2)C(CCc3ccncc3)CCc4ccncc4)=O)Cc5ccc(cc5)Cl)C)=O)=O)cc1OC)OC,"InChI=1S/C43H45ClN4O6/c1-47(43(51)40(49)34-27-38(52-2)41(54-4)39(28-34)53-3)37(26-32-10-14-35(44)15-11-32)42(50)48(29-33-8-6-5-7-9-33)36(16-12-30-18-22-45-23-19-30)17-13-31-20-24-46-25-21-31/h5-11,14-15,18-25,27-28,36-37H,12-13,16-17,26,29H2,1-4H3/t37-/m0/s1",MQSMWZHHUGSULF-QNGWXLTQSA-N
BMGC_DG16994,BMG_DG216736,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O)CO,N([C@]1(C=C([C@H]([C@@H]([C@H]1O)O)O)CO)[H])[C@H]2[C@@H]([C@H]([C@](O[C@@H]2C)(O[C@H]3[C@@H]([C@H]([C@](O[C@@H]3CO)(O[C@@H]([C@H](O)[C@H](C=O)O)[C@H](O)CO)[H])O)O)[H])O)O,"InChI=1S/C25H43NO18/c1-7-13(26-9-2-8(3-27)14(33)18(37)15(9)34)17(36)20(39)24(41-7)44-23-12(6-30)42-25(21(40)19(23)38)43-22(11(32)5-29)16(35)10(31)4-28/h2,4,7,9-27,29-40H,3,5-6H2,1H3/t7-,9+,10+,11-,12-,13-,14-,15+,16-,17+,18+,19-,20-,21-,22-,23-,24-,25-/m1/s1",CEMXHAPUFJOOSV-XGWNLRGSSA-N
BMGC_DG16995,BMG_DG216746,CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O,CCOC(=O)[C@H](C)C[C@H](NC(=O)CCC(O)=O)Cc1ccc(-c2ccccc2)cc1,"InChI=1S/C24H29NO5/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28)/t17-,21+/m1/s1",PYNXFZCZUAOOQC-UTKZUKDTSA-N
BMGC_DG16996,BMG_DG216747,CCOC(=O)[C@H](C)NP(=O)(C1=CC=C(O1)C2=C(SC(=N2)N)CC(C)C)N[C@@H](C)C(=O)OCC,N([C@@H](C)C(=O)OCC)P(c1oc(cc1)-c2c(sc(n2)N)CC(C)C)(N[C@@H](C)C(OCC)=O)=O,"InChI=1S/C21H33N4O6PS/c1-7-29-19(26)13(5)24-32(28,25-14(6)20(27)30-8-2)17-10-9-15(31-17)18-16(11-12(3)4)33-21(22)23-18/h9-10,12-14H,7-8,11H2,1-6H3,(H2,22,23)(H2,24,25,28)/t13-,14-/m0/s1",BYKBUQDQTLDNLE-KBPBESRZSA-N
BMGC_DG16997,BMG_DG216755,CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)C(=O)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O,N1(CCC[C@H]1C(N(C)[C@@H](C(=O)N[C@@H]2C(=O)N[C@]([C@@H](C)CC)([C@@H](O)CC(=O)O[C@H](C([C@H](C)C(N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(N([C@@H](Cc4ccc(cc4)OC)C(=O)O[C@@H]2C)C)=O)=O)=O)C(C)C)[H])CC(C)C)=O)C(C(=O)C)=O,"InChI=1S/C57H87N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-34,36,39-44,46-47,49,66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1",UUSZLLQJYRSZIS-LXNNNBEUSA-N
BMGC_DG16998,BMG_DG216772,,Clc1ccc2c(c1Cl)CCNCC2,,WMCWIMZEYWNBOQ-UHFFFAOYSA-N
BMGC_DG16999,BMG_DG216776,,Nc1nc(-c2nccs2)c3sccc3n1,,CLNBBLGSLDNSMF-UHFFFAOYSA-N
BMGC_DG17000,BMG_DG216780,,C(CN)Nc1c2n(c3cc(ccc3n1)C)c(cn2)C,,PSPFQEBFYXJZEV-UHFFFAOYSA-N
BMGC_DG17001,BMG_DG216794,,[nH]1ncc(c1)-c2cc3cc(oc3cc2)CCN4[C@@H](CCC4)C,,DATDVQKGDSNVRT-CYBMUJFWSA-N
BMGC_DG17002,BMG_DG216812,,c12nc(CC)[nH]c1c(cc(n2)C)C,,XWWJWZJOSWSJQV-UHFFFAOYSA-N
BMGC_DG17003,BMG_DG216825,,[C@]12([C@@]([C@H](CC(=N1)N)C)([C@H]2Cl)[H])[H],,SEVICIFJHBFRBO-OIADKPKDSA-N
BMGC_DG17004,BMG_DG216828,,,,
BMGC_DG17005,BMG_DG216834,C[C@@H](CC1=CC(=CC=C1)C(F)(F)F)N,c1(cc(ccc1)C(F)(F)F)C[C@H](C)N,"InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m0/s1",MLBHFBKZUPLWBD-ZETCQYMHSA-N
BMGC_DG17006,BMG_DG216835,CS(=O)CCCCCCN=C=S,C(CCCN=C=S)CCS(C)=O,"InChI=1S/C8H15NOS2/c1-12(10)7-5-3-2-4-6-9-8-11/h2-7H2,1H3",XQZVZULJKVALRI-UHFFFAOYSA-N
BMGC_DG17007,BMG_DG216848,C1C[C@@H](N2C=NC=C2C1)C3=CC=C(C=C3)C#N,n12c(cnc1)CCC[C@@H]2c3ccc(cc3)C#N,"InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m1/s1",CLPFFLWZZBQMAO-CQSZACIVSA-N
BMGC_DG17008,BMG_DG216866,C[C@@H]1CC(=O)NN=C1C2=CC=C(C=C2)NC(=O)C,N1=C([C@H](C)CC(N1)=O)c2ccc(NC(C)=O)cc2,"InChI=1S/C13H15N3O2/c1-8-7-12(18)15-16-13(8)10-3-5-11(6-4-10)14-9(2)17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,18)/t8-/m1/s1",GDZXNMWZXLDEKG-MRVPVSSYSA-N
BMGC_DG17009,BMG_DG216868,,Oc1c2c(ccc1O)[C@]3(c4c(cccc4C2)CNC3)[H],,ZQTSNGJHMUKLOM-ZDUSSCGKSA-N
BMGC_DG17010,BMG_DG216869,,C1(=NCCN1)CNc2c(cccc2)S(=O)(=O)C,,MCTRZCCYVQDHLM-UHFFFAOYSA-N
BMGC_DG17011,BMG_DG216875,,O/N=C/Nc1cc(Cl)c(N2CCOCC2)cc1,,ZTXADXBIGLLOFX-UHFFFAOYSA-N
BMGC_DG17012,BMG_DG216888,CC1=C(C=CC(=C1)O)O[C@H](CCNC)C2=CC=CC=C2,O(c1c(C)cc(cc1)O)[C@@H](c2ccccc2)CCNC,"InChI=1S/C17H21NO2/c1-13-12-15(19)8-9-16(13)20-17(10-11-18-2)14-6-4-3-5-7-14/h3-9,12,17-19H,10-11H2,1-2H3/t17-/m1/s1",PPXQPRLGNSJNJM-QGZVFWFLSA-N
BMGC_DG17013,BMG_DG216890,,c1nc2c(c(n1)Nc3cc(ccc3)Cl)c(c([nH]2)C)C,,WXJDWBDGDSXEFA-UHFFFAOYSA-N
BMGC_DG17014,BMG_DG216895,,n1c(cnc2cc3c(cc12)nc(n3C)C)-c4cccs4,,ZGDACLBJJXLKJY-UHFFFAOYSA-N
BMGC_DG17015,BMG_DG216896,,C(CC)N1CC(c2cc(no2)-c3ccc(C)cc3)=CCC1,,FOQRKFCLRMMKAT-UHFFFAOYSA-N
BMGC_DG17016,BMG_DG216904,,,,
BMGC_DG17017,BMG_DG216909,,,,
BMGC_DG17018,BMG_DG216932,CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O)N,C([C@H]1N(CCC1)C([C@H]2N(CCC2)C([C@@H](N)C(C)C)=O)=O)(=O)O,"InChI=1S/C15H25N3O4/c1-9(2)12(16)14(20)17-7-3-5-10(17)13(19)18-8-4-6-11(18)15(21)22/h9-12H,3-8,16H2,1-2H3,(H,21,22)/t10-,11-,12-/m0/s1",DOFAQXCYFQKSHT-SRVKXCTJSA-N
BMGC_DG17019,BMG_DG216937,CC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C,[C@]12([C@]([C@]3([C@](c4c(cc(OC(=O)C)cc4)CC3)([H])CC1)[H])(CC[C@@H]2O)[H])C,"InChI=1S/C20H26O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1",FHXBMXJMKMWVRG-SLHNCBLASA-N
BMGC_DG17020,BMG_DG216943,CN[C@@H]1CC2=C3C(=CC=C2)NC(=O)N3C1,c1(n2c3c(cccc3C[C@H](C2)NC)[nH]1)=O,"InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1",RKZSNTNMEFVBDT-MRVPVSSYSA-N
BMGC_DG17021,BMG_DG216947,C1CCC(CC1)CCC[C@H](CC(=O)NO)C2=NC(=NO2)C(=O)N,,"InChI=1S/C15H24N4O4/c16-13(21)14-17-15(23-19-14)11(9-12(20)18-22)8-4-7-10-5-2-1-3-6-10/h10-11,22H,1-9H2,(H2,16,21)(H,18,20)/t11-/m1/s1",ARJCBSRIPGJMAD-LLVKDONJSA-N
BMGC_DG17022,BMG_DG216952,CCC(CC)OC1=C(C(=NC(=C1)C)OC2=C(C=C(C=C2C)C)C)C,c1(c(c(cc(n1)C)OC(CC)CC)C)Oc2c(cc(C)cc2C)C,"InChI=1S/C21H29NO2/c1-8-18(9-2)23-19-12-16(6)22-21(17(19)7)24-20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3",ZSEJGVQTBLJRCQ-UHFFFAOYSA-N
BMGC_DG17023,BMG_DG216955,C1=CC=C(C=C1)C2=NOC(=C2C3=CC=C(C=C3)S(=O)(=O)N)CO,S(c1ccc(-c2c(noc2CO)-c3ccccc3)cc1)(=O)(=O)N,"InChI=1S/C16H14N2O4S/c17-23(20,21)13-8-6-11(7-9-13)15-14(10-19)22-18-16(15)12-4-2-1-3-5-12/h1-9,19H,10H2,(H2,17,20,21)",UJSFKTUZOASIPA-UHFFFAOYSA-N
BMGC_DG17024,BMG_DG216956,C[C@@H]1CCCN1CCC2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C#N,C(c1ccc(cc1)-c2cc3cc(oc3cc2)CCN4[C@@H](CCC4)C)#N,"InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1",KFHYZKCRXNRKRC-MRXNPFEDSA-N
BMGC_DG17025,BMG_DG216967,,c12c(Oc3c(cc(cc3C)NC(C(O)=O)=O)C)ccc(c1CCC2)O,,CEYPDXWCYTVSDN-UHFFFAOYSA-N
BMGC_DG17026,BMG_DG216968,,O=[N+]([O-])c1cccc(-c2cc(Cc3ccncc3)cc4cccnc24)c1,,XRSKAWJXBDACRF-UHFFFAOYSA-N
BMGC_DG17027,BMG_DG216969,CC(C)N(CC[C@H](C1=CC=CC=C1)C2=C(C=CC(=C2)CO)O)C(C)C,[C@@H](c1ccccc1)(c2c(O)ccc(CO)c2)CCN(C(C)C)C(C)C,"InChI=1S/C22H31NO2/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3/t20-/m1/s1",DUXZAXCGJSBGDW-HXUWFJFHSA-N
BMGC_DG17028,BMG_DG216974,,S(c1c(cc(cc1)Cl)CO)c2c(CN(C)C)cccc2,,LVZJJQJUGMAHIF-UHFFFAOYSA-N
BMGC_DG17029,BMG_DG216975,,c1(C(N[C@H]2CN3CCC2CC3)=O)c(cc(c(c1)Cl)N)OC,,FEROPKNOYKURCJ-ZDUSSCGKSA-N
BMGC_DG17030,BMG_DG216977,,,,
BMGC_DG17031,BMG_DG216984,,C([C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n2cnc3c(NC4CCOCC4)ncnc32)F,,LESLGDYUXNSVSS-SDBHATRESA-N
BMGC_DG17032,BMG_DG216985,C1[C@@H]([C@H]1[C@@](CC2C3=CC=CC=C3OC4=CC=CC=C24)(C(=O)O)N)C(=O)O,[C@](CC1c2c(Oc3c1cccc3)cccc2)(C(O)=O)(N)[C@@]4([C@@H](C(O)=O)C4)[H],"InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1",VLZBRVJVCCNPRJ-KPHUOKFYSA-N
BMGC_DG17033,BMG_DG216988,COC1=CC=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)F,c1cc(cc(c1)OC)-c2cc(c(cc2)NC(C=3CCCC3C(=O)O)=O)F,"InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25)",XPRDUGXOWVXZLL-UHFFFAOYSA-N
BMGC_DG17034,BMG_DG216989,,,,
BMGC_DG17035,BMG_DG216990,CCOC1=CC=C(C=C1)C2=CC(=CN2C3=CC=C(C=C3)S(=O)(=O)N)C,n1(c(cc(c1)C)-c2ccc(cc2)OCC)-c3ccc(S(=O)(=O)N)cc3,"InChI=1S/C19H20N2O3S/c1-3-24-17-8-4-15(5-9-17)19-12-14(2)13-21(19)16-6-10-18(11-7-16)25(20,22)23/h4-13H,3H2,1-2H3,(H2,20,22,23)",JTMITOKKUMVWRT-UHFFFAOYSA-N
BMGC_DG17036,BMG_DG216991,C1C[C@H]2CN(CCN2C[C@@H]1COC3=CC=C(C=C3)F)C4=NC=C(C=N4)F,,"InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17+/m1/s1",QXWNESOGWFJDFR-PBHICJAKSA-N
BMGC_DG17037,BMG_DG216994,,N1(C(C(=CC1=O)C)=O)Nc2nc(nc3cccc(c23)OC)-c4cccs4,,GZGLPBNOIFLLRE-UHFFFAOYSA-N
BMGC_DG17038,BMG_DG216996,,C1[C@@](CC[C@]2(c3ccc(cc3CC[C@]12[H])O)Cc4ccccc4)(O)C#CCl,,CNOAOQSZNOTZLQ-OIBXWCBGSA-N
BMGC_DG17039,BMG_DG216999,,C(C=C)(=O)Nc1ccc2c(ncnc2c1)Nc3cc(ccc3)Br,,YGFCGWOZJQMOOG-UHFFFAOYSA-N
BMGC_DG17040,BMG_DG217002,,CC(C)c1ccccc1S(=O)(=O)c2cc(N)c3ncccc3c2[N+](=O)[O-],,YUVNGBZROXQYQH-UHFFFAOYSA-N
BMGC_DG17041,BMG_DG217007,CC1=CC(=C(C=C1OCC(=O)O)C)CCN[C@@H](C)[C@@H](C2=CC=C(C=C2)O)O,c1cc(ccc1[C@H]([C@@H](NCCc2c(cc(OCC(O)=O)c(c2)C)C)C)O)O,"InChI=1S/C21H27NO5/c1-13-11-19(27-12-20(24)25)14(2)10-17(13)8-9-22-15(3)21(26)16-4-6-18(23)7-5-16/h4-7,10-11,15,21-23,26H,8-9,12H2,1-3H3,(H,24,25)/t15-,21-/m0/s1",VMMYRRFPMAGXNP-BTYIYWSLSA-N
BMGC_DG17042,BMG_DG217010,,n1c([nH]c2N(C(N3C(c12)=NCC3)=O)CCC)-c4ccc(cc4)Br,,GYGNZJDWTHECQT-UHFFFAOYSA-N
BMGC_DG17043,BMG_DG217017,,,,
BMGC_DG17044,BMG_DG217019,COC1=C(C=C(C=C1)OC(F)(F)F)CN[C@H]2CCCN[C@H]2C3=CC=CC=C3,[C@H]1([C@@H](NCCC1)c2ccccc2)NCc3c(ccc(c3)OC(F)(F)F)OC,"InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1",ZIWFCOIGUNPHPM-HKUYNNGSSA-N
BMGC_DG17045,BMG_DG217020,,c12nc(cc(n1nc(c2-c3cnc(cc3C)N(C)C)C)N(CCC)CCC)C,,ANNRUWYFVIGKHA-UHFFFAOYSA-N
BMGC_DG17046,BMG_DG217024,CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)O,,"InChI=1S/C18H29N3O6/c1-4-8-19-15(22)13-14(27-13)16(23)20-12(10(3)5-2)17(24)21-9-6-7-11(21)18(25)26/h10-14H,4-9H2,1-3H3,(H,19,22)(H,20,23)(H,25,26)/t10-,11-,12-,13-,14-/m0/s1",ZEZGJKSEBRELAS-PEDHHIEDSA-N
BMGC_DG17047,BMG_DG217027,CCCCCCC(C)(C)C1=CC(=C2[C@@H]3CC(=CC[C@H]3C(OC2=C1)(C)C)CO)O,c12[C@]3([C@](CC=C(C3)CO)([H])C(Oc1cc(cc2O)C(CCCCCC)(C)C)(C)C)[H],"InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1",SSQJFGMEZBFMNV-WOJBJXKFSA-N
BMGC_DG17048,BMG_DG217033,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C,c1ccncc1C=2[C@@]3([C@]([C@]4([C@]([C@]5(CC[C@@H](CC5=CC4)OC(C)=O)C)([H])CC3)[H])(CC2)[H])C,"InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1",UVIQSJCZCSLXRZ-UBUQANBQSA-N
BMGC_DG17049,BMG_DG217034,CC(C)[C@H](C(=O)NO)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC,,"InChI=1S/C19H24N2O5S/c1-14(2)18(19(22)20-23)21(13-15-7-5-4-6-8-15)27(24,25)17-11-9-16(26-3)10-12-17/h4-12,14,18,23H,13H2,1-3H3,(H,20,22)/t18-/m1/s1",ZGSTVUAZFACDLH-GOSISDBHSA-N
BMGC_DG17050,BMG_DG217037,,C1(c2cc(Sc3ccc(cc3)-n4c(ncc4)C)ccc2)(CCOCC1)C(=O)N,,VPTONMHDLLMOOV-UHFFFAOYSA-N
BMGC_DG17051,BMG_DG217042,,c1(n[nH]c(c1)C)C(=O)O,,WSMQKESQZFQMFW-UHFFFAOYSA-N
BMGC_DG17052,BMG_DG217057,,,,
BMGC_DG17053,BMG_DG217060,,C([C@@H](NCCC)Cc1ccc(OCCc2nc(oc2C)-c3ccccc3)cc1)(=O)O,,RDGUFKZGMLPVHL-QFIPXVFZSA-N
BMGC_DG17054,BMG_DG217061,,c1cnc(cc1)NC([C@@H](NC([C@@H]([C@@H](C(NO)=O)OC)CC(C)C)=O)C(C)(C)C)=O,,WORSVFBVUCBRIP-VNQPRFMTSA-N
BMGC_DG17055,BMG_DG217063,CCOC(=O)C1=C(NC(=C([C@@H]1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN,C=1([C@@H](C(C(=O)OCC)=C(NC1C)COCCN)c2c(Cl)cccc2)C(=O)OC,"InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1",HTIQEAQVCYTUBX-KRWDZBQOSA-N
BMGC_DG17056,BMG_DG217079,CCC1=CC=CC=C1NC(=O)OC2=CC3=C(C=C2)N([C@@H]4[C@]3(CCN(O4)C)C)C,c1cc(c(cc1)NC(Oc2ccc3c(c2)[C@]4([C@@](N3C)(ON(CC4)C)[H])C)=O)CC,"InChI=1S/C22H27N3O3/c1-5-15-8-6-7-9-18(15)23-21(26)27-16-10-11-19-17(14-16)22(2)12-13-24(3)28-20(22)25(19)4/h6-11,14,20H,5,12-13H2,1-4H3,(H,23,26)/t20-,22-/m0/s1",ZOBDWFRKFSPCRB-UNMCSNQZSA-N
BMGC_DG17057,BMG_DG217081,,Cc1cc(N2CCC[C@H]2C(=O)NCCc3ccc4c(c3)OCO4)nc(-n5ccnc5)n1,,LBCGUKCXRVUULK-KRWDZBQOSA-N
BMGC_DG17058,BMG_DG217082,,,,
BMGC_DG17059,BMG_DG217090,COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl,c1(cc2c(nccc2Oc3cc(c(cc3)NC(NC4CC4)=O)Cl)cc1OC)C(N)=O,"InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)",WOSKHXYHFSIKNG-UHFFFAOYSA-N
BMGC_DG17060,BMG_DG217092,C1[C@@H]([C@H](C2=C(O1)C=C(C=C2)C3=C(C=CC(=C3)C(F)(F)F)C(=O)O)O)CC4=CC=CC=C4,c1(c(C(=O)O)ccc(C(F)(F)F)c1)-c2cc3OC[C@@H]([C@H](c3cc2)O)Cc4ccccc4,"InChI=1S/C24H19F3O4/c25-24(26,27)17-7-9-18(23(29)30)20(12-17)15-6-8-19-21(11-15)31-13-16(22(19)28)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28H,10,13H2,(H,29,30)/t16-,22+/m0/s1",NZQDWKCNBOELAI-KSFYIVLOSA-N
BMGC_DG17061,BMG_DG217097,CC(C)[C@@H](C(=O)N[C@H]1CC2=CC=CC=C2[C@H]3CCC[C@H](N3C1=O)C(=O)O)SC(=O)C,c1cccc2C[C@@H](C(N3[C@@](c12)(CCC[C@H]3C(=O)O)[H])=O)NC([C@@H](SC(=O)C)C(C)C)=O,"InChI=1S/C22H28N2O5S/c1-12(2)19(30-13(3)25)20(26)23-16-11-14-7-4-5-8-15(14)17-9-6-10-18(22(28)29)24(17)21(16)27/h4-5,7-8,12,16-19H,6,9-11H2,1-3H3,(H,23,26)(H,28,29)/t16-,17+,18-,19-/m0/s1",FXKFFTMLFPWYFH-RDGPPVDQSA-N
BMGC_DG17062,BMG_DG217100,C[C@@H](C/C=C/C1=CC(=CN=C1)OC(C)C)NC,c1(OC(C)C)cncc(c1)/C=C/C[C@H](C)NC,"InChI=1S/C14H22N2O/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4/h5,7-12,15H,6H2,1-4H3/b7-5+/t12-/m0/s1",RPCVIAXDAUMJJP-PZBABLGHSA-N
BMGC_DG17063,BMG_DG217103,CC1(C(=O)N(C(=O)N1C)C[C@@H]([C@@H](CC2CCCC2)C(=O)N3CCCCC3)C(=O)NO)C,N1(C(N(C)C(C1=O)(C)C)=O)C[C@@H]([C@H](C(N2CCCCC2)=O)CC3CCCC3)C(=O)NO,"InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1",GFUITADOEPNRML-SJORKVTESA-N
BMGC_DG17064,BMG_DG217104,,[C@@H](Cc1cc(COC)ccc1)(O)/C=C/[C@@H]2[C@@H](CCSCCCC(O)=O)C(=O)C[C@H]2O,,ORSJUPRAHPZYRL-XHTUOEPPSA-N
BMGC_DG17065,BMG_DG217106,,c1(C(F)(F)F)c([N+]([O-])=O)ccc(NC([C@](COc2ccc(NC(=O)C)cc2)(O)C)=O)c1,,YVXVTLGIDOACBJ-SFHVURJKSA-N
BMGC_DG17066,BMG_DG217108,,N1C(S[C@@H](C1=O)Cc2ccc(OC[C@@]3(Oc4c(c(C)c(c(c4CC3)C)O)C)C)cc2)=O,,GXPHKUHSUJUWKP-NTKDMRAZSA-N
BMGC_DG17067,BMG_DG217115,,CC[C@H](C(=O)O)Cc1ccc(OC)c(C(NCc2ccc(Oc3ccc(F)cc3)cc2)=O)c1,,VRHOBXXCNBZJRX-IBGZPJMESA-N
BMGC_DG17068,BMG_DG217118,,c1nc2c(c(n1)N)c(cn2[C@H]3C[C@@H](C3)CN4CCCC4)-c5cc(ccc5)OCc6ccccc6,,LSFLAQVDISHMNB-AFARHQOCSA-N
BMGC_DG17069,BMG_DG217122,,,,
BMGC_DG17070,BMG_DG217124,CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=C4C=CSC4=C(C=C3)CC5C(=O)NC(=O)S5,N1C(SC(C1=O)Cc2c3c(ccs3)c(cc2)OCCc4nc(-c5ccccc5)oc4C)=O,"InChI=1S/C24H20N2O4S2/c1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20/h2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28)",HAAXAFNSRADSMK-UHFFFAOYSA-N
BMGC_DG17071,BMG_DG217126,,C(=O)(n1c2c(c(CC(NCCCCCCCC)=O)c1C)cc(OC)cc2)c3ccc(Cl)cc3,,DBWILLAXKDUAPA-UHFFFAOYSA-N
BMGC_DG17072,BMG_DG217131,,c1c2nc(n(c2ccc1[C@](NCC(O)=O)(C)C(=O)N3CCCC3)C)CNc4ccc(cc4)C(N)=N,,MAOALPSHCIBFJZ-RUZDIDTESA-N
BMGC_DG17073,BMG_DG217134,CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC(=NC=N3)OC4=CC=C(C=C4)OC,c1c(ccc(c1)Oc2ncnc(c2)N(CCOc3ccc(cc3)CC4SC(NC4=O)=O)C)OC,"InChI=1S/C24H24N4O5S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30)",CHHXEZSCHQVSRE-UHFFFAOYSA-N
BMGC_DG17074,BMG_DG217136,,c1nc2c(c(n1-c3cc(c(cc3)OCCN4CCCC4)OC)=O)sc(c2)-c5ccc(cc5)Cl,,MWULMTACIBZPGN-UHFFFAOYSA-N
BMGC_DG17075,BMG_DG217138,C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O,N(OC[C@H](O)CO)C(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2F,"InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1",SUDAHWBOROXANE-SECBINFHSA-N
BMGC_DG17076,BMG_DG217141,CN=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)N2C[C@@H](C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4,c1(ccc(cc1)C2=NN(/C(/NC)=N/S(=O)(c3ccc(cc3)Cl)=O)C[C@@H]2c4ccccc4)Cl,"InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m1/s1",AXJQVVLKUYCICH-OAQYLSRUSA-N
BMGC_DG17077,BMG_DG217143,,N1([C@](c2cc(C(N(c3cc(F)ccc3)C)=O)ccc2)(c4cc(O)ccc4)[H])C[C@H](N(CC=C)C[C@@H]1C)C,,LZXRQLIIMYJZDA-UETOGOEVSA-N
BMGC_DG17078,BMG_DG217151,,C(=O)N(O)[C@H](CS(=O)(=O)c1ccc(cc1)Oc2ccc(cc2)OC(F)(F)F)[C@@]3(OC(OC3)(C)C)[H],,IVPPTWCRAFCOFJ-RTBURBONSA-N
BMGC_DG17079,BMG_DG217156,,C([C@@H]([C@H](CCC)N(O)C=O)CC(C)C)(=O)N[C@@H](CCCNC(N[N+](=O)[O-])=N)C(=O)Nc1sccn1,,YKVNFNGMIAJYOQ-PMPSAXMXSA-N
BMGC_DG17080,BMG_DG217157,CC1=CC(=CC2=C(C(=CN=C12)C(=O)N)NC3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC(=C4)C(=O)N(C)C,n1cc(c(c2cc(cc(c12)C)S(=O)(=O)c3cc(ccc3)C(=O)N(C)C)Nc4cc(ccc4)OC)C(=O)N,"InChI=1S/C27H26N4O5S/c1-16-11-21(37(34,35)20-10-5-7-17(12-20)27(33)31(2)3)14-22-24(16)29-15-23(26(28)32)25(22)30-18-8-6-9-19(13-18)36-4/h5-15H,1-4H3,(H2,28,32)(H,29,30)",JFHROPTYMMSOLG-UHFFFAOYSA-N
BMGC_DG17081,BMG_DG217164,,o1nc(cc1CCC(=O)O)[C@H](CC(C)C)NC(=O)Cc2cc(c(cc2)NC(=O)Nc3c(cccc3)C)OC,,USEDUTJSKDZBGX-QHCPKHFHSA-N
BMGC_DG17082,BMG_DG217168,,CS(=O)(=O)Nc1c(ccc(c1)[C@H](CN[C@H](Cc2cc(ccc2)Cl)c3ccc(cc3)OC(F)F)O)O,,DSEGFUSAJVUFLK-OFNKIYASSA-N
BMGC_DG17083,BMG_DG217170,CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1[C@H](C([C@@H](O1)N2C=CC(=NC2=O)N)(F)F)O,O(C[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O)C(=O)CCCCCCC/C=C/CCCCCCCC,"InChI=1S/C27H43F2N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(33)36-20-21-24(34)27(28,29)25(37-21)32-19-18-22(30)31-26(32)35/h9-10,18-19,21,24-25,34H,2-8,11-17,20H2,1H3,(H2,30,31,35)/b10-9+/t21-,24-,25-/m1/s1",HESSNRGIEVBPRB-QDDPNBLJSA-N
BMGC_DG17084,BMG_DG217174,,O[C@H]1[C@H](n2c3c(nc2)c(NCc4c(OCc5cc(no5)C)ccc(c4)Cl)ncn3)O[C@@H]([C@H]1N)C(NC)=O,,PKUZHLZHLVHAIO-QYUDBREXSA-N
BMGC_DG17085,BMG_DG217179,CCOC(=O)C1=C(C2=C(C=C1C)N=C(N(C2=O)C3=CC=CC=C3S(=O)(=O)NC)COC(=O)NCCO)C,c1(C(OCC)=O)c(cc2nc(COC(NCCO)=O)n(c(c2c1C)=O)-c3c(cccc3)S(NC)(=O)=O)C,"InChI=1S/C24H28N4O8S/c1-5-35-23(31)20-14(2)12-16-21(15(20)3)22(30)28(19(27-16)13-36-24(32)26-10-11-29)17-8-6-7-9-18(17)37(33,34)25-4/h6-9,12,25,29H,5,10-11,13H2,1-4H3,(H,26,32)",PMBUDILHPXTDNY-UHFFFAOYSA-N
BMGC_DG17086,BMG_DG217183,CC1=NC(=NO1)C2=CC(=CC=C2)C(=O)NC3CCC(CC3)CCN4CCC5=C(CC4)C=C(C=C5)S(=O)(=O)C,,"InChI=1S/C29H36N4O4S/c1-20-30-28(32-37-20)24-4-3-5-25(18-24)29(34)31-26-9-6-21(7-10-26)12-15-33-16-13-22-8-11-27(38(2,35)36)19-23(22)14-17-33/h3-5,8,11,18-19,21,26H,6-7,9-10,12-17H2,1-2H3,(H,31,34)",ZHQUFEJLPBTKSM-UHFFFAOYSA-N
BMGC_DG17087,BMG_DG217185,,[C@@H]1(OC([C@@H](NC(/C(/NC([C@H](NC([C@H](NC(C1)=O)C(C)C)=O)CS)=O)=C/C)=O)C(C)C)=O)/C=C/CCS,,MEJLVLMAJJRLCR-GCCNXGTGSA-N
BMGC_DG17088,BMG_DG217189,CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC[C@](C3)(CC4=CC=CC=C4)C(=O)N(C)N(C)C)N,c1(C[C@H](C(=O)N2C[C@](C(N(N(C)C)C)=O)(Cc3ccccc3)CCC2)NC(C(C)(C)N)=O)c4ccccc4[nH]c1,"InChI=1S/C31H42N6O3/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22/h6-10,12-15,20,26,33H,11,16-19,21,32H2,1-5H3,(H,34,39)/t26-,31-/m1/s1",VQPFSIRUEPQQPP-MXBOTTGLSA-N
BMGC_DG17089,BMG_DG217199,,N1(CCOCC1)CCCC(=O)Oc2cc(cc3c2[C@]4([C@](C(O3)(C)C)(CC=C(C4)C)[H])[H])C(CCCCC#N)(C)C,,YRDNBEPFVBMTNP-CLJLJLNGSA-N
BMGC_DG17090,BMG_DG217200,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2S(=O)(=O)C4=CC=C(C=C4)OCC(=O)O)C=CC(=C3)OC,COc1c(C)cnc(c1C)C[S+]([O-])c2nc3c(n2S(=O)(c4ccc(cc4)OCC(=O)O)=O)ccc(OC)c3,"InChI=1S/C25H25N3O8S2/c1-15-12-26-21(16(2)24(15)35-4)14-37(31)25-27-20-11-18(34-3)7-10-22(20)28(25)38(32,33)19-8-5-17(6-9-19)36-13-23(29)30/h5-12H,13-14H2,1-4H3,(H,29,30)",PPCGSVWOZKNPCX-UHFFFAOYSA-N
BMGC_DG17091,BMG_DG217202,,c1(c(cc(c(c1)C(=O)N([C@H]2CCCc3ccccc23)Cc4cc(ccc4)Oc5ccccc5)C(=O)O)C(=O)O)C(=O)O,,VQGBOYBIENNKMI-LJAQVGFWSA-N
BMGC_DG17092,BMG_DG217204,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(CCO)O)N)O,c12c(C(=O)c3c(C1=O)cccc3OC)c(O)c4c(c2O)C[C@](CCO)(O)C[C@@H]4O[C@@]5(O[C@@H](C)[C@H]([C@H](C5)N)O)[H],"InChI=1S/C27H31NO10/c1-11-22(30)14(28)8-17(37-11)38-16-10-27(35,6-7-29)9-13-19(16)26(34)21-20(24(13)32)23(31)12-4-3-5-15(36-2)18(12)25(21)33/h3-5,11,14,16-17,22,29-30,32,34-35H,6-10,28H2,1-2H3/t11-,14-,16-,17-,22+,27-/m0/s1",RGVRUQHYQSORBY-JIGXQNLBSA-N
BMGC_DG17093,BMG_DG217207,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC,[C@@]12(n3c4c5c(c6c(n5[C@@](O1)([H])C[C@H]([C@H]2OC)N(C(=O)c7ccccc7)C)cccc6)c8c(c4c9c3cccc9)CNC8=O)C,"InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1",BMGQWWVMWDBQGC-IIFHNQTCSA-N
BMGC_DG17094,BMG_DG217208,C1CN(CCC12C3=CC=CC=C3CO2)CCCCC4=CN(C5=CC=CC=C54)C6=CC=C(C=C6)F,C12(c3c(CO1)cccc3)CCN(CCCCc4c5ccccc5n(-c6ccc(F)cc6)c4)CC2,"InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2",XWAONOGAGZNUSF-UHFFFAOYSA-N
BMGC_DG17095,BMG_DG217215,,C(S(=O)(=O)Nc1cc(ccc1)C[C@@H]2[C@H](Oc3c([C@@H]2O)cc(cc3)OCc4sc5c(n4)cc(cc5)F)C)(F)(F)F,,OQMSTTQHFRKDFE-LNMSCABWSA-N
BMGC_DG17096,BMG_DG217219,,N(S(=O)(=O)c1ccc(NC(NCCCCCC)=O)cc1)c2ccc(CCNC[C@@H](COc3ccc(O)cc3)O)cc2,,NYYJKMXNVNFOFQ-MHZLTWQESA-N
BMGC_DG17097,BMG_DG217221,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,OP(O)(OP(OP(=O)(O)O)(=O)O)=O,"InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)",UNXRWKVEANCORM-UHFFFAOYSA-N
BMGC_DG17098,BMG_DG217234,CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC(=CC=C2)/C(=N/O)/N)NS(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C,O(CC)C(N1CCN(CC1)C(=O)[C@@H](NS(c2c(cc(cc2C(C)C)C(C)C)C(C)C)(=O)=O)Cc3cccc(c3)/C(/N)=N\O)=O,"InChI=1S/C32H47N5O6S/c1-8-43-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34-40)35-44(41,42)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35,40H,8,12-15,17H2,1-7H3,(H2,33,34)/t28-/m0/s1",HUASEDVYRABWCV-NDEPHWFRSA-N
BMGC_DG17099,BMG_DG217237,,CCC(N1CCN(c2ccc(NC(c3cc(=O)c4cc(cc(c4o3)N5CCN(C)CC5)F)=O)cc2)CC1)=O,,CKBARMWSFIJZTL-UHFFFAOYSA-N
BMGC_DG17100,BMG_DG217240,,CCCCCCOC(=O)c1cc(O)c(O)c(O)c1,,DQHJNOHLEKVUHU-UHFFFAOYSA-N
BMGC_DG17101,BMG_DG217245,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC,,"InChI=1S/C24H36O2.C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18,20-21H,3-4,7,10,13,16,19,22-23H2,1-2H3;5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-;6-5-,9-8-,12-11-,15-14-,18-17-",DTMGIJFHGGCSLO-FIAQIACWSA-N
BMGC_DG17102,BMG_DG217246,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC,C(C)/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(OCC)=O,"InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-",SSQPWTVBQMWLSZ-AAQCHOMXSA-N
BMGC_DG17103,BMG_DG217259,CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C[N+]56CCN(CC5)CC6)CCCC,C(C1(CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c3ccc(OCc4ccc(C[N+]56CCN(CC5)CC6)cc4)cc3)[C@H]1O)CCCC)CCC,"InChI=1S/C40H56N3O4S/c1-5-7-19-40(20-8-6-2)30-48(45,46)37-18-15-34(41(3)4)27-36(37)38(39(40)44)33-13-16-35(17-14-33)47-29-32-11-9-31(10-12-32)28-43-24-21-42(22-25-43)23-26-43/h9-18,27,38-39,44H,5-8,19-26,28-30H2,1-4H3/q+1/t38-,39-/m1/s1",STPKWKPURVSAJF-LJEWAXOPSA-N
BMGC_DG17104,BMG_DG217260,CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCC[C@H]4C(=O)NCCCNC(=O)C5=CC=C(C=C5)C(=N)N)Cl)C,N1([C@@H](CCC1)C(=O)NCCCNC(c2ccc(cc2)C(N)=N)=O)S(=O)(=O)c3c(c(c(cc3)Cl)COc4cccc5c(cc(nc45)C)C)Cl,"InChI=1S/C34H36Cl2N6O5S/c1-20-18-21(2)41-31-24(20)6-3-8-28(31)47-19-25-26(35)13-14-29(30(25)36)48(45,46)42-17-4-7-27(42)34(44)40-16-5-15-39-33(43)23-11-9-22(10-12-23)32(37)38/h3,6,8-14,18,27H,4-5,7,15-17,19H2,1-2H3,(H3,37,38)(H,39,43)(H,40,44)/t27-/m0/s1",XUHBBTKJWIBQMY-MHZLTWQESA-N
BMGC_DG17105,BMG_DG217261,CC(C)(C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCCCN)C(=O)N)N,C([C@@H](NC([C@H](Cc1c[nH]cn1)NC(C(C)(C)N)=O)=O)C(N[C@H](Cc2ccccc2)C(N[C@@H](CCCCN)C(N)=O)=O)=O)c3cc4c(cc3)cccc4,"InChI=1S/C38H49N9O5/c1-38(2,41)37(52)47-32(21-28-22-42-23-43-28)36(51)46-31(20-25-15-16-26-12-6-7-13-27(26)18-25)35(50)45-30(19-24-10-4-3-5-11-24)34(49)44-29(33(40)48)14-8-9-17-39/h3-7,10-13,15-16,18,22-23,29-32H,8-9,14,17,19-21,39,41H2,1-2H3,(H2,40,48)(H,42,43)(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t29-,30+,31+,32-/m0/s1",NEHWBYHLYZGBNO-BVEPWEIPSA-N
BMGC_DG17106,BMG_DG217265,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,,"InChI=1S/C25H28N6O.C7H8ClN3O4S2/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23;8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30);1-2,10-11H,3H2,(H2,9,12,13)",NZPSYYOURGWZCM-UHFFFAOYSA-N
BMGC_DG17107,BMG_DG217267,CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N.C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN.C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O,,"InChI=1S/C14H15N3O5.C10H14N2O4.C9H11NO4/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9;1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6;10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h5-7,18-19H,3-4H2,1-2H3;2-4,12-14H,5,11H2,1H3,(H,15,16);1-2,4,6,11-12H,3,10H2,(H,13,14)/b10-5+;;/t;10-;6-/m.00/s1",OTVUCEMFRGJEMR-FTXVUGNJSA-N
BMGC_DG17108,BMG_DG217268,CC[C@@H]1[C@@]([C@@H]([C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)CC)O)C)C)C)O)(C)O,[C@H]1([C@@H](O[C@]2(C[C@]([C@H]([C@@H](O2)C)O)(OC)C)[H])[C@H](C)[C@@H](O[C@]3([C@@H]([C@H](C[C@H](O3)C)N(C)CC)O)[H])[C@]4(CC(=C([C@](C)([C@@H](O)[C@@]([C@@H](CC)OC1=O)(O)C)[H])O4)C)C)C,"InChI=1S/C38H67NO12/c1-14-26-38(11,44)31(41)21(5)29-19(3)17-37(10,51-29)33(50-35-28(40)25(39(12)15-2)16-20(4)46-35)22(6)30(23(7)34(43)48-26)49-27-18-36(9,45-13)32(42)24(8)47-27/h20-28,30-33,35,40-42,44H,14-18H2,1-13H3/t20-,21+,22+,23-,24+,25+,26-,27+,28-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",UTTLXGDLSXWDJI-QZCZOBQCSA-N
BMGC_DG17109,BMG_DG217285,CCCNC[C@@]1([C@@H](O[C@H](C[C@@]1(C)OC)O[C@H]2[C@@H]([C@H]([C@](C[C@H](CN[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]2C)CC)(C)O)O)C)C)(C)O)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)O,[C@]1(O[C@@H]2[C@@H](C)[C@H](O[C@]3(C[C@](OC)(C)[C@]([C@@H](O3)C)(O)CNCCC)[H])[C@@H](C)C(O[C@H](CC)[C@](O)(C)[C@@H]([C@H](NC[C@@H](C[C@]2(O)C)C)C)O)=O)(O[C@H](C)C[C@@H]([C@H]1O)N(C)C)[H],"InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3/t23-,24-,25+,26-,27-,28+,29+,30-,31+,32-,33+,34-,35-,37+,38-,39-,40-,41+/m1/s1",GUARTUJKFNAVIK-QPTWMBCESA-N
BMGC_DG17110,BMG_DG217287,CC1=C(C=CC(=C1)F)[C@H]2CNCCN2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F,C[C@@H](N(C)C(=O)N1[C@@H](c2c(C)cc(F)cc2)CNCC1)c3cc(cc(c3)C(F)(F)F)C(F)(F)F,"InChI=1S/C23H24F7N3O/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/t14-,20-/m1/s1",SBBYBXSFWOLDDG-JLTOFOAXSA-N
BMGC_DG17111,BMG_DG217290,CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCSCCC(=O)N[C@@H](C(=O)N1)CC2=CNC3=CC=CC=C32)C(=O)N(C)[C@@H](CCCN)CO)CC(=O)N)[C@H](C)CC,C([C@@H]1NC([C@]([C@@H](CC)C)(NC(=O)[C@@H](NC(=O)[C@@H](Cc2c[nH]c3c2cccc3)NC(=O)CCSCC[C@H](NC1=O)C(N([C@@H](CCCN)CO)C)=O)[C@H](CC)C)[H])=O)C(N)=O,"InChI=1S/C40H63N9O8S/c1-6-23(3)34-38(55)46-31(20-32(42)51)36(53)45-29(40(57)49(5)26(22-50)11-10-16-41)14-17-58-18-15-33(52)44-30(19-25-21-43-28-13-9-8-12-27(25)28)37(54)47-35(24(4)7-2)39(56)48-34/h8-9,12-13,21,23-24,26,29-31,34-35,43,50H,6-7,10-11,14-20,22,41H2,1-5H3,(H2,42,51)(H,44,52)(H,45,53)(H,46,55)(H,47,54)(H,48,56)/t23-,24+,26+,29+,30-,31+,34+,35+/m1/s1",UGNGRKKDUVKQDF-IHOMMZCZSA-N
BMGC_DG17112,BMG_DG217291,CC1=CC(=CC(=C1N)C)OC2=CC3=C(C=C2)N=C(N3C)COC4=CC=C(C=C4)CC5C(=O)NC(=O)S5,S1C(NC(C1Cc2ccc(OCc3nc4ccc(Oc5cc(C)c(c(c5)C)N)cc4n3C)cc2)=O)=O,"InChI=1S/C27H26N4O4S/c1-15-10-20(11-16(2)25(15)28)35-19-8-9-21-22(13-19)31(3)24(29-21)14-34-18-6-4-17(5-7-18)12-23-26(32)30-27(33)36-23/h4-11,13,23H,12,14,28H2,1-3H3,(H,30,32,33)",JCYNMRJCUYVDBC-UHFFFAOYSA-N
BMGC_DG17113,BMG_DG217295,CCOC1=CC=C(C=C1)C2=NN3C(=C2C4=CC=C(C=C4)S(=O)(=O)C)C=CC=N3,c1(ccc(-c2nn3c(cccn3)c2-c4ccc(cc4)S(=O)(=O)C)cc1)OCC,"InChI=1S/C21H19N3O3S/c1-3-27-17-10-6-16(7-11-17)21-20(19-5-4-14-22-24(19)23-21)15-8-12-18(13-9-15)28(2,25)26/h4-14H,3H2,1-2H3",NXMZBNYLCVTRGB-UHFFFAOYSA-N
BMGC_DG17114,BMG_DG217298,C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C8CCCCC8)C)O,[C@@]12(C(O[C@@H]3C[C@@]4(O[C@H](C5CCCCC5)[C@H](C=C4)C)O[C@@H](C3)C/C=C(\C)/[C@H]([C@H](\C=C\C=C/6\[C@]1(O)[C@](OC6)([C@@H](C(=C2)C)O)[H])C)O[C@@]7(O[C@@H](C)[C@@H]([C@H](C7)OC)O[C@@]8(O[C@@H](C)[C@@H]([C@H](C8)OC)O)[H])[H])=O)[H],"InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1",QLFZZSKTJWDQOS-YDBLARSUSA-N
BMGC_DG17115,BMG_DG217303,C[C@@H]\1C/C(=C/C[C@@H]2C[C@@H](C[C@@]3(O2)C/C(=N\OC)/[C@@H]([C@H](O3)/C(=C/C(C)C)/C)C)OC(=O)[C@@H]4C=C([C@H]([C@@H]5[C@]4(/C(=C/C=C1)/CO5)O)O)C)/C,CC(C)/C=C(\C)/[C@@H]1[C@@H](C)/C(=N/OC)/C[C@]2(O1)O[C@@H]3C/C=C(/C[C@@H](C)/C=C/C=C/4\CO[C@@]5([H])[C@]4(O)[C@@H](C=C(C)[C@H]5O)C(=O)O[C@H](C2)C3)\C,"InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1",YZBLFMPOMVTDJY-LSGXYNIPSA-N
BMGC_DG17116,BMG_DG217309,,C(n1c2c(c(C)c1C)cnnc2OCc3ccc(F)cc3)[C@@H]4[C@@H](C)C4,,NXPLYKRKIFPEOA-BLLLJJGKSA-N
BMGC_DG17117,BMG_DG217312,CC(=O)O.C1C[C@H](N(C1)C(=O)[C@@H]2CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N,N1(CCC[C@H]1C(=O)N[C@@H](C(NCC(N)=O)=O)CCCNC(N)=N)C([C@@H]2CSSCCC(N[C@H](C(N[C@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C(N2)=O)CC(N)=O)Cc3ccccc3)=O)Cc4ccc(cc4)O)=O)=O.CC(=O)O,"InChI=1S/C46H64N14O12S2.C2H4O2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25;1-2(3)4/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52);1H3,(H,3,4)/t28-,29+,30+,31+,32+,33+,34+;/m1./s1",MLSVJHOYXJGGTR-IFHOVBQLSA-N
BMGC_DG17118,BMG_DG217314,CSCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)N,C(c1c2c([nH]c1)cccc2)[C@@H](C(N[C@H](C(N[C@H](C(N[C@@H](Cc3ccccc3)C(N)=O)=O)CC(O)=O)=O)CCSC)=O)NC(CNC([C@@H](NC([C@H](Cc4ccc(cc4)OS(=O)(=O)O)NC(=O)[C@H](CC(O)=O)N)=O)CCSC)=O)=O,"InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1",IZTQOLKUZKXIRV-YRVFCXMDSA-N
BMGC_DG17119,BMG_DG217318,CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C(=O)NCCNC(=O)NC4CCN(CC4)C5=CC=CC=N5)NCC(C6=CC=CC=C6)C7=CC=CC=C7)O)O,n1(c2c(nc1)c(NCC(c3ccccc3)c4ccccc4)nc(C(=O)NCCNC(NC5CCN(CC5)c6ncccc6)=O)n2)[C@H]7[C@@H]([C@@H]([C@H](O7)C(NCC)=O)O)O,"InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1",ZOTHAEBAWXWVID-HXEFRTELSA-N
BMGC_DG17120,BMG_DG217320,,C(c1c2c([nH]c1)cccc2)[C@H]3NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@@H](NC([C@@H](Cc5ccccc5)NC(CN6CCN(CC6)CCO)=O)=O)CSSC[C@H](NC([C@@H](NC([C@@H](NC3=O)CCCCN)=O)CC)=O)C(N[C@@H]([C@@H](C)O)C(N)=O)=O,,YIGPOHXLINPVGT-CVGVOFIUSA-N
BMGC_DG17121,BMG_DG217331,C([C@H](C[P+](=O)O)F)N,C([C@@H](CN)F)P(O)=O,"InChI=1S/C3H7FNO2P/c4-3(1-5)2-8(6)7/h3H,1-2,5H2/p+1/t3-/m1/s1",WVTGPBOMAQLPCP-GSVOUGTGSA-O;LJNUIEQATDYXJH-GSVOUGTGSA-N
BMGC_DG17122,BMG_DG217342,,S[C@@H](CCS)CCCCC(=O)O,,IZFHEQBZOYJLPK-SSDOTTSWSA-N
BMGC_DG17123,BMG_DG217347,,S1([C@@]2([C@]([C@](C1)(N)C(=O)O)([C@H]2C(O)=O)[H])[H])(=O)=O,,AVDUGNCTZRCAHH-MDASVERJSA-N
BMGC_DG17124,BMG_DG217355,,CCc1nc2ccsc2c(-c3nccs3)n1,,YNBYJWXOQPYWEM-UHFFFAOYSA-N
BMGC_DG17125,BMG_DG217360,C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N,C(N)(=O)[C@H]1[N@@]2C(=O)N([C@H](CC1)C2)OS(=O)(=O)O;S(=O)(=O)(ON1[C@@H]2CC[C@H]([N@](C1=O)C2)C(=O)N)O,"InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1",NDCUAPJVLWFHHB-UHNVWZDZSA-N
BMGC_DG17126,BMG_DG217361,,c1(nc2ccc(cc2s1)OC)-c3ccc(cc3)NC,,ZTKDUAATMRBDMG-UHFFFAOYSA-N
BMGC_DG17127,BMG_DG217365,,[H][C@@]12CC[C@H](O)C=C2CC[C@@]3([H])[C@@]4(CC[C@H](O)[C@@]4(C)CC[C@]13[H])[H],,CMXKUJNZWYTFJN-XFUVECHXSA-N
BMGC_DG17128,BMG_DG217377,C[C@]12CC[C@@H](C[C@@H]1C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O)O,[C@@]12([C@]3([C@]([C@@]4([C@@](C[C@H](CC4)O)([H])C[C@@H]3O)C)([H])CC[C@]1(C)C(=O)CC2)[H])[H],"InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12+,13+,14+,15+,17+,18+,19+/m1/s1",VFPMCLQMAUVEHD-UCPSWNCLSA-N
BMGC_DG17129,BMG_DG217379,,C1CC2CCN1C(CCCC)=C2c3ccc(cc3)Cl,,FFHMGQOTHREMBZ-UHFFFAOYSA-N
BMGC_DG17130,BMG_DG217391,C(C(=O)[O-])N.C(C(=O)[O-])N.[Fe+2],[Fe+2].NCC([O-])=O.NCC([O-])=O,"InChI=1S/2C2H5NO2.Fe/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2",GIPOFCXYHMWROH-UHFFFAOYSA-L
BMGC_DG17131,BMG_DG217402,CCC[C@@H]1CC(=O)N(C1)[C@@H](CC)C(=O)N,CCC[C@@H]1CC(=O)N(C1)[C@@H](CC)C(=O)N,"InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1",MSYKRHVOOPPJKU-BDAKNGLRSA-N
BMGC_DG17132,BMG_DG217405,,[C@]12([C@@](CC([C@]2([C@@]1(C(=O)O)F)[H])=O)(C(=O)O)N)[H],,KFAGJPNFERWZJA-JKBXLQNXSA-N
BMGC_DG17133,BMG_DG217411,CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O,N1(C(C(C(CC)(C)C)=O)=O)[C@H](C(=O)O)CCC1,"InChI=1S/C12H19NO4/c1-4-12(2,3)9(14)10(15)13-7-5-6-8(13)11(16)17/h8H,4-7H2,1-3H3,(H,16,17)/t8-/m0/s1",FOPALECPEUVCTL-QMMMGPOBSA-N
BMGC_DG17134,BMG_DG217418,,C(CC)[C@H]1[C@H](CCN(C)C1)c2ccc(Cl)cc2,,MWGRXFWGMDSMNI-UKRRQHHQSA-N
BMGC_DG17135,BMG_DG217422,CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C.Cl,c1cc(cc(c1)O)[C@@H]([C@H](CN(C)C)C)CC.Cl,"InChI=1S/C14H23NO.ClH/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12;/h6-9,11,14,16H,5,10H2,1-4H3;1H/t11-,14+;/m0./s1",ZELFLGGRLLOERW-YECZQDJWSA-N
BMGC_DG17136,BMG_DG217423,CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C,c1cc(cc(c1)O)[C@@H]([C@H](CN(C)C)C)CC,"InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1",KWTWDQCKEHXFFR-SMDDNHRTSA-N
BMGC_DG17137,BMG_DG217431,,C(C)S(=O)(=O)Nc1cc(ccc1)Cc2cnc[nH]2,,ROUIPNDCVDWYEH-UHFFFAOYSA-N
BMGC_DG17138,BMG_DG217439,C1=CC=C(C=C1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-],c1([N+]([O-])=O)c(c(O)cc(c1)C(Cc2ccccc2)=O)O,"InChI=1S/C14H11NO5/c16-12(6-9-4-2-1-3-5-9)10-7-11(15(19)20)14(18)13(17)8-10/h1-5,7-8,17-18H,6H2",MRFOLGFFTUGAEB-UHFFFAOYSA-N
BMGC_DG17139,BMG_DG217440,COC1=C2C3=C(CNCC[C@]34C=C[C@@H](C[C@@H]4O2)O)C=C1,N1CC[C@]23c4c(C1)ccc(c4O[C@]2(C[C@H](C=C3)O)[H])OC,"InChI=1S/C16H19NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,11,13,17-18H,6-9H2,1H3/t11-,13-,16-/m0/s1",AIXQQSTVOSFSMO-RBOXIYTFSA-N
BMGC_DG17140,BMG_DG217442,,O=C1N(C)c2c(C(c3ccccc3)=NC1)cc(cc2)C#C,,FESCSZDQOFYRDR-UHFFFAOYSA-N
BMGC_DG17141,BMG_DG217449,C[C@H](C1=CC=C(C=C1)CC(C)C)C(=O)NS(=O)(=O)C,C([C@H](C)c1ccc(cc1)CC(C)C)(NS(=O)(=O)C)=O,"InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1",KQDRVXQXKZXMHP-LLVKDONJSA-N
BMGC_DG17142,BMG_DG217451,,C(c1cc(cc(-c2onc(n2)-c3ccc(F)cn3)c1)F)#N,,RBSPCALDSNXWEP-UHFFFAOYSA-N
BMGC_DG17143,BMG_DG217453,,c1c(NS(C)(=O)=O)cc([C@H](CN)O)c(F)c1,,XYLJNMCMDOOJRW-VIFPVBQESA-N
BMGC_DG17144,BMG_DG217455,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)O)O,[C@@]1([C@@H](CN(C)C)CCCC1)(c2cc(O)ccc2)O;c1(cc(ccc1)[C@@]2([C@H](CCCC2)CN(C)C)O)O,"InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1",UWJUQVWARXYRCG-HIFRSBDPSA-N
BMGC_DG17145,BMG_DG217459,C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O,C1=2[C@@]([C@@]3([C@@]([C@]4([C@]([C@@H](O)CC4)(C)CC3)[H])([H])[C@@H](C1)C)[H])(CCC(C2)=O)[H],"InChI=1S/C19H28O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h10-11,14-18,21H,3-9H2,1-2H3/t11-,14+,15-,16+,17+,18-,19+/m1/s1",YSGQGNQWBLYHPE-CFUSNLFHSA-N
BMGC_DG17146,BMG_DG217463,,c1(c2c(c(c3occc13)Br)cco2)CC(N)C,,GIKPTWKWYXCBEC-UHFFFAOYSA-N
BMGC_DG17147,BMG_DG217467,CCC1CCNC2=C1C=C3C(=CC(=O)NC3=C2)C(F)(F)F,C(F)(F)(F)c1c2c(cc3c(c2)C(CC)CCN3)[nH]c(=O)c1,"InChI=1S/C15H15F3N2O/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(21)20-13/h5-8,19H,2-4H2,1H3,(H,20,21)",SZPPQFARTYXRKU-UHFFFAOYSA-N
BMGC_DG17148,BMG_DG217471,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C#C)O)CCC4=CC(=O)CC[C@H]34,C[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=CC(CC4)=O)[H])[H])[H])(CC[C@@]2(C#C)O)[H],"InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20+/m0/s1",VIKNJXKGJWUCNN-JBKQDOAHSA-N
BMGC_DG17149,BMG_DG217472,,c1c2c(c(cn1)Sc3ccc(cc3)C)cc(s2)C(=O)N,,QQGWEXFLMJGCAL-UHFFFAOYSA-N
BMGC_DG17150,BMG_DG217480,,O=C1Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2C1=O,,MLWAHVYFMDBXBL-UHFFFAOYSA-N
BMGC_DG17151,BMG_DG217490,C1CCC(CC1)CCCCC(=O)N2CCC(CC2)C3=CN=CN3,,"InChI=1S/C19H31N3O/c23-19(9-5-4-8-16-6-2-1-3-7-16)22-12-10-17(11-13-22)18-14-20-15-21-18/h14-17H,1-13H2,(H,20,21)",YTCGNPGLMAECND-UHFFFAOYSA-N
BMGC_DG17152,BMG_DG217491,CCCCCCCCCCCCCCCC=O,C(CCCCCCCC)CCCCCCC=O,"InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3",NIOYUNMRJMEDGI-UHFFFAOYSA-N
BMGC_DG17153,BMG_DG217493,,n12CCNC(c3c1c(ccc3)nc2-c4ccc(cc4)CN(C)C)=O,,SEKJSSBJKFLZIT-UHFFFAOYSA-N
BMGC_DG17154,BMG_DG217494,,C([C@@H](C)N)c1c(OC)cc(I)c(OC)c1,,BGMZUEKZENQUJY-SSDOTTSWSA-N
BMGC_DG17155,BMG_DG217495,,C1(=C(C(C)(C)OC1=O)c2ccc(S(=O)(=O)C)cc2)OC(C)C,,ONJHHYBWKLDIFI-UHFFFAOYSA-N
BMGC_DG17156,BMG_DG217510,,c12C[C@@H](C(N[C@@H](CCCCCCc(ccc1)c2)C(=O)O)=O)CS,,KLCDUNQMSZJEDY-CVEARBPZSA-N
BMGC_DG17157,BMG_DG217516,,O(c1c(/C=C/C(c2ccc(O)cc2)=O)ccc(O)c1CC=C(C)C)C,,WBDNTJSRHDSPSR-KPKJPENVSA-N
BMGC_DG17158,BMG_DG217517,,C(c1ccc(cc1)F)(=O)Nc2cc3c(c([nH]c3cc2)C)CCN(C)C,,IIHVBDVYBDSPPU-UHFFFAOYSA-N
BMGC_DG17159,BMG_DG217518,,[N+]([O-])([O-])=O.[Hg+]c1ccccc1,,PDTFCHSETJBPTR-UHFFFAOYSA-N
BMGC_DG17160,BMG_DG217526,,CC(N(c1c(Oc2ccccc2)ccnc1)Cc3c(OC)cccc3)=O,,DHZBNHMEIOBPAE-UHFFFAOYSA-N
BMGC_DG17161,BMG_DG217531,,c12cc(CCC)sc1CN[C@]3([C@]2(c4c(CC3)cc(c(c4)O)O)[H])[H],,REHAKLRYABHSQJ-KDOFPFPSSA-N
BMGC_DG17162,BMG_DG217536,CCCN(CCC)CCC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2,N(CCc1cc(c(cc1)OC)OCCc2ccccc2)(CCC)CCC,"InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3",YBLIQJGXRLZBCZ-UHFFFAOYSA-N
BMGC_DG17163,BMG_DG217539,,N(C(=O)Nc1ccc(c2c1nn[nH]2)C#N)c3c(cccc3)Br,,SEDUMQWZEOMXSO-UHFFFAOYSA-N
BMGC_DG17164,BMG_DG217545,C[C@]12CC/C(=N\OCCN)/C[C@@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)C(CC4)=O)[H])(CC([C@]1(C/C(/CC2)=N/OCCN)[H])=O)[H])[H],"InChI=1S/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13+/t14-,15-,16-,17+,20+,21-/m0/s1",MPYLDWFDPHRTEG-PAAYLBSLSA-N
BMGC_DG17165,BMG_DG217546,CC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=CC=C3)F)C,C1(C(C(=C(O1)c2ccc(cc2)S(N)(=O)=O)c3cccc(c3)F)=O)(C)C,"InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)",IJWPAFMIFNSIGD-UHFFFAOYSA-N
BMGC_DG17166,BMG_DG217547,CC(=O)NC1=CC=C(C=C1)CCN2C[C@H]3COC4=C([C@@H]3C2)C=C(C=C4)C#N,CC(=O)Nc1ccc(cc1)CCN2C[C@@]3([C@@](C2)(COc4c3cc(cc4)C#N)[H])[H],"InChI=1S/C22H23N3O2/c1-15(26)24-19-5-2-16(3-6-19)8-9-25-12-18-14-27-22-7-4-17(11-23)10-20(22)21(18)13-25/h2-7,10,18,21H,8-9,12-14H2,1H3,(H,24,26)/t18-,21+/m0/s1",ZDZWIQDJFWTDAM-GHTZIAJQSA-N
BMGC_DG17167,BMG_DG217550,C[C@H](CC1=CC=C(C=C1)OCC(=O)O)NC[C@@H](C2=CC(=CC=C2)Cl)O,c1(cc([C@H](CN[C@H](C)Cc2ccc(cc2)OCC(O)=O)O)ccc1)Cl,"InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1",ZGGNJJJYUVRADP-ACJLOTCBSA-N
BMGC_DG17168,BMG_DG217553,C[C@]12CC[C@@H]3[C@H]4CCC(=CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C)O)OC5CCCC5,[C@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC1)[H])(CCC(=C4)OC5CCCC5)[H])[H])(CC[C@]2(C#C)O)[H])C,"InChI=1S/C25H34O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,8,16,18,20-23,26H,4-7,9-15H2,2H3/t20-,21+,22+,23-,24-,25-/m0/s1",PCJFRMOEZQQSAX-AIOSZGMZSA-N
BMGC_DG17169,BMG_DG217563,C1CN2C(=CN=C2C3(CCNCC3)C4=CC=CC=C41)C(=O)N,c1(C(N)=O)cnc2C3(c4c(CCn21)cccc4)CCNCC3,"InChI=1S/C17H20N4O/c18-15(22)14-11-20-16-17(6-8-19-9-7-17)13-4-2-1-3-12(13)5-10-21(14)16/h1-4,11,19H,5-10H2,(H2,18,22)",VQWGYPVNVICKFC-UHFFFAOYSA-N
BMGC_DG17170,BMG_DG217570,,O=c1n(c2c(c(=O)n1Cc3ccncc3)cccn2)-c4cc([N+](=O)[O-])ccc4,,YLHRMVRLIOIWTO-UHFFFAOYSA-N
BMGC_DG17171,BMG_DG217573,,,,
BMGC_DG17172,BMG_DG217578,,C(/C=C/c1oc2c(c1)C(CCC2)c3cc4C(CCC(c4cc3)(C)C)(C)C)(=O)O,,WRWCAQNPEXYGJK-PKNBQFBNSA-N
BMGC_DG17173,BMG_DG217585,C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)F,c1(cc(n(n1)-c2ccc(cc2)S(=O)(=O)N)-c3ccc(cc3)F)C(F)(F)F,"InChI=1S/C16H11F4N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)",TTZNQDOUNXBMJV-UHFFFAOYSA-N
BMGC_DG17174,BMG_DG217587,,N1C(C2(c3c(cccc13)CCC2)CCCCN4CC=C(CC4)c5ccccc5)=O,,JBQOYPLKTTXLSQ-UHFFFAOYSA-N
BMGC_DG17175,BMG_DG217590,,c1(c2c(cc(n1)C)n(nn2)C(COC)COC)Nc3c(cc(cc3C)C)Cl,,ZQDGDIAWYBGDRC-UHFFFAOYSA-N
BMGC_DG17176,BMG_DG217595,CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC=C2C3=CC=C(C=C3)C4=NC=CO4,S(Nc1c(c(C)no1)C)(c2c(-c3ccc(-c4ncco4)cc3)cccc2)(=O)=O,"InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3",LJGUZUROJOJEMI-UHFFFAOYSA-N
BMGC_DG17177,BMG_DG217599,C1CN2C(=O)[C@@H](N=C(C3=CC(=CC1=C32)N)C4=CC=CC=C4)NC(=O)C5=CN=CC=C5,O=C1N2c3c(C(=N[C@H]1NC(=O)c4cccnc4)c5ccccc5)cc(cc3CC2)N,"InChI=1S/C23H19N5O2/c24-17-11-15-8-10-28-20(15)18(12-17)19(14-5-2-1-3-6-14)26-21(23(28)30)27-22(29)16-7-4-9-25-13-16/h1-7,9,11-13,21H,8,10,24H2,(H,27,29)/t21-/m0/s1",XGXOSJSGDNPEEF-NRFANRHFSA-N
BMGC_DG17178,BMG_DG217601,C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2CCN(C1=O)C)NC(=O)[C@H](C(C)C)O,CC([C@@H](C(N[C@H](C(N[C@@H]1C(=O)N(C)CCc2c1cccc2)=O)C)=O)O)C,"InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1",PKXWXXPNHIWQHW-RCBQFDQVSA-N
BMGC_DG17179,BMG_DG217605,,c1(cc(cc(s1)-c2ccc(cc2)-c3cccc4ccccc34)=O)N5CCOCC5,,RPXUZXKPLIIOMI-UHFFFAOYSA-N
BMGC_DG17180,BMG_DG217606,,CCCCCCCCCCCCCCNC(N[C@H](CC(=O)[O-])C[N+](C)(C)C)=O,,BMZYTDRMCBZVNH-HXUWFJFHSA-N
BMGC_DG17181,BMG_DG217607,,[nH]1c(cc2cc(ccc12)Cl)C(=O)N[C@H]([C@H](C(=O)N(C)C)O)Cc3ccccc3,,HINJNZFCMLSBCI-PKOBYXMFSA-N
BMGC_DG17182,BMG_DG217611,,,,
BMGC_DG17183,BMG_DG217612,C1C[C@H]2CC[C@@H](C3=CC=CC(=C23)C1)N4CCC5(CC4)C(=O)NCN5C6=CC=CC=C6,O=C1C2(N(CN1)c3ccccc3)CCN(CC2)[C@@]4(c5c6[C@](CC4)(CCCc6ccc5)[H])[H],"InChI=1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m0/s1",JLFMYEAXZNPWBK-REWPJTCUSA-N
BMGC_DG17184,BMG_DG217619,,C1(c2ccccc2Sc3ccccc31)CC(C(=O)O)(c4ccc(cc4)C(=O)O)N,,FPQARIIBDDMZEU-UHFFFAOYSA-N
BMGC_DG17185,BMG_DG217622,,c12c(nc3c(n1cnc2)nc(cc3)N4C[C@@H](NCC4)C)Nc5c(cccc5C)Cl,,PUNYTBZWCMNSRO-AWEZNQCLSA-N
BMGC_DG17186,BMG_DG217625,C1CN(CC2=C1C=CC(=C2)OCC3(CCN(CC3)C4=CC=NC=C4)C(=O)O)C(=N)N,N1(CCC(CC1)(C(=O)O)COc2ccc3CCN(Cc3c2)C(=N)N)c4ccncc4,"InChI=1S/C22H27N5O3/c23-21(24)27-10-5-16-1-2-19(13-17(16)14-27)30-15-22(20(28)29)6-11-26(12-7-22)18-3-8-25-9-4-18/h1-4,8-9,13H,5-7,10-12,14-15H2,(H3,23,24)(H,28,29)",MISBTXJXWSXZBF-UHFFFAOYSA-N
BMGC_DG17187,BMG_DG217627,,N(Cc1c(OC(C)C)cccc1)(C(C)=O)c2c(Oc3ccccc3)cc(Cl)cc2,,CGUBOFYHGYNUDL-UHFFFAOYSA-N
BMGC_DG17188,BMG_DG217631,CCCCCCC(C)(C)C1=CC(=C(C(=C1)OC)[C@H]2C=C([C@@H]3C[C@H]2C3(C)C)CO)OC,,"InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21-,22+/m0/s1",CFMRIVODIXTERW-FDFHNCONSA-N
BMGC_DG17189,BMG_DG217633,CN(CC1=CC=CC=C1)CC2=CC=C(C=C2)C3=CC4=CC(=C(C=C4OC3=O)OC)OC,c1(c(cc2c(o1)cc(c(c2)OC)OC)-c3ccc(cc3)CN(Cc4ccccc4)C)=O,"InChI=1S/C26H25NO4/c1-27(16-18-7-5-4-6-8-18)17-19-9-11-20(12-10-19)22-13-21-14-24(29-2)25(30-3)15-23(21)31-26(22)28/h4-15H,16-17H2,1-3H3",KXMCSAUVAHKCOR-UHFFFAOYSA-N
BMGC_DG17190,BMG_DG217639,,c1ccc(cc1)C(N)P(=O)(O)O,,ZKFNOUUKULVDOB-UHFFFAOYSA-N
BMGC_DG17191,BMG_DG217646,,,,
BMGC_DG17192,BMG_DG217648,,N1(c2ccc(cc2)C(N)=O)CCN(CC1)CC[C@H]3c4c(CCO3)cc(C(=O)NC)cc4,,PNTVCCRNJOGKGA-QFIPXVFZSA-N
BMGC_DG17193,BMG_DG217651,,O(c1cc(CCNCCCNC(c2ccc([N+]([O-])=O)cc2)=O)ccc1OC)C,,XEAKAKKNLOUHDV-UHFFFAOYSA-N
BMGC_DG17194,BMG_DG217663,C1[C@H](CC2=C1C=CC=C2OC3=CC(=CC=C3)OS(=O)(=O)CCCC(F)(F)F)CO,C(CCC(F)(F)F)S(=O)(=O)Oc1cc(ccc1)Oc2c3C[C@@H](Cc3ccc2)CO,"InChI=1S/C20H21F3O5S/c21-20(22,23)8-3-9-29(25,26)28-17-6-2-5-16(12-17)27-19-7-1-4-15-10-14(13-24)11-18(15)19/h1-2,4-7,12,14,24H,3,8-11,13H2/t14-/m1/s1",XJURALZPEJKKOV-CQSZACIVSA-N
BMGC_DG17195,BMG_DG217678,,,,
BMGC_DG17196,BMG_DG217683,,C(=O)(NC1CCN(Cc2cccc(N)n2)CC1)[C@](O)(c3ccccc3)[C@]4([H])CCC(F)(F)C4,,HQRSMNLSFMUJPL-KOSHJBKYSA-N
BMGC_DG17197,BMG_DG217685,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C(=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)Cl)F,[C@]12([C@@]3([C@]([C@@]4(C[C@@H](C)[C@@]([C@]4(C[C@@H]3O)C)(C(=O)CO)O)[H])(C[C@@H](C1=CC(=O)C(=C2)Cl)F)[H])F)C,"InChI=1S/C22H27ClF2O5/c1-10-4-11-12-5-15(24)13-6-16(27)14(23)7-19(13,2)21(12,25)17(28)8-20(11,3)22(10,30)18(29)9-26/h6-7,10-12,15,17,26,28,30H,4-5,8-9H2,1-3H3/t10-,11+,12+,15+,17+,19+,20+,21+,22+/m1/s1",GGXMRPUKBWXVHE-MIHLVHIWSA-N
BMGC_DG17198,BMG_DG217686,CC1=C(C(=O)C=CO1)[O-].CC1=C(C(=O)C=CO1)[O-].CC1=C(C(=O)C=CO1)[O-].[Ga+3],c1([O-])c(ccoc1C)=O.[Ga+3].c1([O-])c(ccoc1C)=O.c1([O-])c(ccoc1C)=O,"InChI=1S/3C6H6O3.Ga/c3*1-4-6(8)5(7)2-3-9-4;/h3*2-3,8H,1H3;/q;;;+3/p-3",ASYYOZSDALANRF-UHFFFAOYSA-K
BMGC_DG17199,BMG_DG217698,,C(/C=C/c1cc(c(cc1)Sc2c(cccc2)C(C)C)[N+](=O)[O-])(=O)N3CCN(CC3)C(=O)C,,HTGGAYLWTDOFDK-PKNBQFBNSA-N
BMGC_DG17200,BMG_DG217702,C1CNC(C2=CC=CC=C21)CC3=CC=CC=C3,C1(Cc2ccccc2)c3c(CCN1)cccc3,"InChI=1S/C16H17N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-9,16-17H,10-12H2",YRYCIFUZSUMAAY-UHFFFAOYSA-N
BMGC_DG17201,BMG_DG217714,C1CN(CCC1N[C@@H](CO)C2=CC=C(C=C2)F)CCCC3=CNC4=C3C=C(C=C4)N5C=NN=C5,,"InChI=1S/C26H31FN6O/c27-21-5-3-19(4-6-21)26(16-34)31-22-9-12-32(13-10-22)11-1-2-20-15-28-25-8-7-23(14-24(20)25)33-17-29-30-18-33/h3-8,14-15,17-18,22,26,28,31,34H,1-2,9-13,16H2/t26-/m0/s1",HNKDAQNYMJNLCC-SANMLTNESA-N
BMGC_DG17202,BMG_DG217720,,N1([C@@H](CCCC1)C(=O)SCCC(c2ccccc2)c3ccccc3)C(C(C(CC)(C)C)=O)=O,,VVFVHRQMJTWSAK-DEOSSOPVSA-N
BMGC_DG17203,BMG_DG217722,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]2[C@H]1C)C)C,C1C[C@]2([C@]([C@@]([C@@H]1O)(C)C(O)=O)(CC[C@@]3([C@@]2(C(C=C4[C@]3(CC[C@@]5([C@]4([C@H]([C@@H](CC5)C)C)[H])C)C)=O)[H])C)[H])C,"InChI=1S/C30H46O4/c1-17-8-11-26(3)14-15-28(5)19(23(26)18(17)2)16-20(31)24-27(4)12-10-22(32)30(7,25(33)34)21(27)9-13-29(24,28)6/h16-18,21-24,32H,8-15H2,1-7H3,(H,33,34)/t17-,18+,21-,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1",YIMHGPSYDOGBPI-YZCVQEKWSA-N
BMGC_DG17204,BMG_DG217723,,C(CNc1ccc(cn1)[N+](=O)[O-])Nc2nc(c(cn2)-c3ncc[nH]3)-c4c(cc(cc4)Cl)Cl,,GUMBZKISKUIHJB-UHFFFAOYSA-N
BMGC_DG17205,BMG_DG217724,CCCCCCCC(=O)OC[C@H]([C@H]([C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)OC)O,[C@]1([C@H](OC)[C@@H](COC(CCCCCCC)=O)O)([H])[C@@H]([C@@H](NC(N)=N)C=C(C(=O)O)O1)NC(=O)C,"InChI=1S/C21H36N4O8/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25)/t13-,14+,17+,18+,19+/m0/s1",UKTIJASCFRNWCB-RMIBSVFLSA-N
BMGC_DG17206,BMG_DG217738,,O=C1N2N(CCC[C@H]2C(=O)N[C@H](C=O)CC(O)=O)C(=O)CC[C@@H]1NC(=O)c3nccc4c3cccc4,,CUVNEENHHCPUBW-SZMVWBNQSA-N
BMGC_DG17207,BMG_DG217740,COC1=CC=CC(=C1)C(=O)N,C(c1cc(OC)ccc1)(=O)N,"InChI=1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)",VKPLPDIMEREJJF-UHFFFAOYSA-N
BMGC_DG17208,BMG_DG217743,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,[C@]12([C@]([C@]3([C@]([C@@]4([C@](C[C@H](O)CC4)([H])C[C@@H]3O)C)([H])CC1)[H])(CC[C@@]2([C@@H](CCC(=O)NCCS(=O)(=O)O)C)[H])[H])C,"InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1",BHTRKEVKTKCXOH-LBSADWJPSA-N
BMGC_DG17209,BMG_DG217750,C[C@]([C@H]1C[C@@]23CC[C@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O,,"InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1",RMRJXGBAOAMLHD-CTAPUXPBSA-N
BMGC_DG17210,BMG_DG217766,CCC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Br,c1(c(CC)c(n(n1)-c2ccc(cc2Cl)Cl)-c3ccc(cc3)Br)C(NN4CCCCC4)=O,"InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)",HMXDWDSNPRNUKI-UHFFFAOYSA-N
BMGC_DG17211,BMG_DG217768,CC(C)(CC1=CC=C(C=C1)OC2=NC=C(C=C2)C(=O)N)NC[C@@H](COC3=CC=CC4=C3C5=CC=CC=C5N4)O,[nH]1c2ccccc2c3c1cccc3OC[C@H](CNC(C)(C)Cc4ccc(cc4)Oc5ccc(cn5)C(=O)N)O,"InChI=1S/C31H32N4O4/c1-31(2,16-20-10-13-23(14-11-20)39-28-15-12-21(17-33-28)30(32)37)34-18-22(36)19-38-27-9-5-8-26-29(27)24-6-3-4-7-25(24)35-26/h3-15,17,22,34-36H,16,18-19H2,1-2H3,(H2,32,37)/t22-/m0/s1",RBSGUQYXRDKPAE-QFIPXVFZSA-N
BMGC_DG17212,BMG_DG217770,CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(CC=C)CC=C)/C4=C(C3=O)O)COC)C)C,[C@H]1([C@]2(C(/C(/C(O1)=O)=C\N(CC=C)CC=C)=C(C(C=3[C@]4([C@](C[C@H](C32)OC(=O)C)(C(CC4)=O)C)[H])=O)O)C)COC,"InChI=1S/C29H35NO8/c1-7-11-30(12-8-2)14-17-23-26(34)25(33)22-18-9-10-20(32)28(18,4)13-19(37-16(3)31)24(22)29(23,5)21(15-36-6)38-27(17)35/h7-8,14,18-19,21,34H,1-2,9-13,15H2,3-6H3/b17-14+/t18-,19+,21+,28-,29-/m0/s1",QIUASFSNWYMDFS-NILGECQDSA-N
BMGC_DG17213,BMG_DG217772,CC(C)C(=O)OC1=C(C=C(C=C1)CO)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O,c1(c(OC(=O)C(C)C)ccc(c1)CO)[C@H](CCN(C(C)C)C(C)C)c2ccccc2.C(\C=C\C(=O)O)(=O)O,"InChI=1S/C26H37NO3.C4H4O4/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6;5-3(6)1-2-4(7)8/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t23-;/m1./s1",MWHXMIASLKXGBU-RNCYCKTQSA-N
BMGC_DG17214,BMG_DG217775,,c1(nc(c(c(n1)N)Cc2c(cccc2)OC)N)SCCN3CCN(CC3)Cc4cc(ccc4)C(F)(F)F,,LFKKHGNEPKOBPZ-UHFFFAOYSA-N
BMGC_DG17215,BMG_DG217778,CCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCC(=O)O,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",IPCSVZSSVZVIGE-UHFFFAOYSA-N
BMGC_DG17216,BMG_DG217784,,O(c1c2c(cc(c(c2)OC)OCCNCCO)ncc1)c3ccc(cc3)Nc4ccc(cc4)C(C)(C)C,,VQCDZFWRGXFUMS-UHFFFAOYSA-N
BMGC_DG17217,BMG_DG217795,CC(=O)N(CC1=CC=CC=C1OC)C[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)CN4CCN(CC4)C5CCCCC5,,"InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-6-9-15-32(26)41-2)23-28(20-27-21-34-31-14-8-7-13-30(27)31)35-33(40)24-36-16-18-37(19-17-36)29-11-4-3-5-12-29/h6-10,13-15,21,28-29,34H,3-5,11-12,16-20,22-24H2,1-2H3,(H,35,40)/t28-/m1/s1",HCKQHXNWJMHBJT-MUUNZHRXSA-N
BMGC_DG17218,BMG_DG217801,CN1CCN(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC3=CC=CC=C3)/C=C/S(=O)(=O)C4=CC=CC=C4,N1(CCN(CC1)C)C(=O)N[C@H](C(N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc3ccccc3)=O)Cc4ccccc4,"InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/b24-19+/t28-,30-/m0/s1",RHJLQMVZXQKJKB-FPHSVDBKSA-N
BMGC_DG17219,BMG_DG217802,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O,O=c1cc(-c2ccc(O)cc2)oc3cc(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)O4)cc(O)c31,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1",FKIYLTVJPDLUDL-SLNHTJRHSA-N
BMGC_DG17220,BMG_DG217803,CN(CC1=CC=CC=C1)C(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@@H]4CCCN4C(=O)NC5=CC=CC=C5[N+](=O)[O-],,"InChI=1S/C33H33N5O5/c1-36(22-23-10-3-2-4-11-23)32(40)28(21-24-17-18-25-12-5-6-13-26(25)20-24)34-31(39)30-16-9-19-37(30)33(41)35-27-14-7-8-15-29(27)38(42)43/h2-8,10-15,17-18,20,28,30H,9,16,19,21-22H2,1H3,(H,34,39)(H,35,41)/t28-,30-/m0/s1",PCVSIMQAFWRUEC-JDXGNMNLSA-N
BMGC_DG17221,BMG_DG217804,,C([C@H](NC([C@H](NC([C@H](NC([C@H](N)Cc1ccccc1)=O)Cc2ccccc2)=O)CCCC)=O)CCCNC(=N)N)(=O)N,,RUOXNQGHBFJAES-ZGFBMJKBSA-N
BMGC_DG17222,BMG_DG217806,,OC(=O)C[C@H](NC(CNC(c1cc(O)cc(NC=2NCC(O)CN2)c1)=O)=O)c3c(O)c(Br)cc(Cl)c3,,XROUNTCRSNMMAO-KRWDZBQOSA-N
BMGC_DG17223,BMG_DG217808,C1=CC=C(C=C1)C2=N[C@H](C(=O)N(C3=CC=CC=C32)CC(F)(F)F)NC(=O)CC4=C(C=C(C=C4)C(F)(F)F)C(F)(F)F,,"InChI=1S/C27H18F9N3O2/c28-25(29,30)14-39-20-9-5-4-8-18(20)22(15-6-2-1-3-7-15)38-23(24(39)41)37-21(40)12-16-10-11-17(26(31,32)33)13-19(16)27(34,35)36/h1-11,13,23H,12,14H2,(H,37,40)/t23-/m1/s1",VVCYJFVTVHMTBV-HSZRJFAPSA-N
BMGC_DG17224,BMG_DG217825,CC1=C(C=CC(=C1)F)[C@H]2C[C@H](CCN2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN5[C@H](C4)CCC5=O,c1c(cc(cc1[C@@H](C)N(C)C(=O)N2[C@H](C[C@H](CC2)N3C[C@@]4(CCC(N4CC3)=O)[H])c5ccc(cc5C)F)C(F)(F)F)C(F)(F)F,"InChI=1S/C31H35F7N4O2/c1-18-12-23(32)4-6-26(18)27-16-24(40-10-11-41-25(17-40)5-7-28(41)43)8-9-42(27)29(44)39(3)19(2)20-13-21(30(33,34)35)15-22(14-20)31(36,37)38/h4,6,12-15,19,24-25,27H,5,7-11,16-17H2,1-3H3/t19-,24+,25+,27-/m1/s1",XWNBGDJPEXZSQM-VZOBGQTKSA-N
BMGC_DG17225,BMG_DG217827,,C([C@@]12OC(C)(C)[C@H]3[C@@]14Oc5c(c6O[C@](C)(CCC=C(C)C)C=Cc6c(O)c5C(=O)C4=C[C@H](C3)C2=O)CC=C(C)C)/C=C(/C)\C(=O)O,,GEZHEQNLKAOMCA-RRZNCOCZSA-N
BMGC_DG17226,BMG_DG217828,CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O.CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C)O,,"InChI=1S/2C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15;1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,16-17,22H,5-10H2,1-4H3;11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t16-,17-;17-,18+/m10/s1",SSNHGLKFJISNTR-DYSNNVSPSA-N
BMGC_DG17227,BMG_DG217830,CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC(=CC=C2)/C(=N\O)/N)NS(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C,O(CC)C(N1CCN(CC1)C(=O)[C@@H](NS(c2c(cc(cc2C(C)C)C(C)C)C(C)C)(=O)=O)Cc3cccc(c3)/C(/N)=N\O)=O,"InChI=1S/C32H47N5O6S/c1-8-43-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34-40)35-44(41,42)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35,40H,8,12-15,17H2,1-7H3,(H2,33,34)/t28-/m0/s1",HUASEDVYRABWCV-NDEPHWFRSA-N
BMGC_DG17228,BMG_DG217832,CCCCCC1=CC2=C([C@@H]3C=C(CC[C@H]3C(O2)(C)C)C)C(=C1C(=O)O)O,C=1(CC[C@]2(C(Oc3c([C@@]2(C1)[H])c(c(c(c3)CCCCC)C(O)=O)O)(C)C)[H])C,"InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/t15-,16-/m1/s1",UCONUSSAWGCZMV-HZPDHXFCSA-N
BMGC_DG17229,BMG_DG217834,CC1=CC=C(C=C1)C2=C(N=CN=C2OCCOC3=NC=C(C=N3)Br)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)CO,,"InChI=1S/C27H28BrN5O5S/c1-18-4-6-19(7-5-18)23-24(33-39(35,36)22-10-8-20(9-11-22)27(2,3)16-34)31-17-32-25(23)37-12-13-38-26-29-14-21(28)15-30-26/h4-11,14-15,17,34H,12-13,16H2,1-3H3,(H,31,32,33)",YAWNVAQKVARTGQ-UHFFFAOYSA-N
BMGC_DG17230,BMG_DG217835,,c1c(nc2c(c1C)nc(n2Cc3ccc(cc3)-c4c(ccc(c4)Cc5cc(ccc5)OC)S(NC(OCCCC)=O)(=O)=O)CC)C,,SRCIRAKBWHTYIX-UHFFFAOYSA-N
BMGC_DG17231,BMG_DG217836,C1CCC(CC1)N2CCN(CC2)C3=C(N=C(S3)NC(=O)C4=CC(=C(N=C4)N5CCC(CC5)C(=O)O)Cl)C6=CC(=CS6)Cl,C1CCCCC1N2CCN(CC2)c3sc(nc3-c4cc(Cl)cs4)NC(=O)c5cc(c(N6CCC(CC6)C(O)=O)nc5)Cl,"InChI=1S/C29H34Cl2N6O3S2/c30-20-15-23(41-17-20)24-27(37-12-10-35(11-13-37)21-4-2-1-3-5-21)42-29(33-24)34-26(38)19-14-22(31)25(32-16-19)36-8-6-18(7-9-36)28(39)40/h14-18,21H,1-13H2,(H,39,40)(H,33,34,38)",OFZJKCQENFPZBH-UHFFFAOYSA-N
BMGC_DG17232,BMG_DG217842,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O,c1c(c(O)ccc1-c2c(O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)O)O)O)[H])c(c5c(cc(cc5O)OCCO)o2)=O)O,"InChI=1S/C29H34O17/c1-10-19(34)22(37)24(39)28(43-10)42-9-17-20(35)23(38)25(40)29(45-17)46-27-21(36)18-15(33)7-12(41-5-4-30)8-16(18)44-26(27)11-2-3-13(31)14(32)6-11/h2-3,6-8,10,17,19-20,22-25,28-35,37-40H,4-5,9H2,1H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1",MBHXKZDTQCSVPM-BDAFLREQSA-N
BMGC_DG17233,BMG_DG217845,COC1=CC(=C(C=C1CCN)OC)Br,Brc1c(OC)cc(c(c1)OC)CCN,"InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3",YMHOBZXQZVXHBM-UHFFFAOYSA-N
BMGC_DG17234,BMG_DG217846,CCCCCCCCCCCCCCCC(=O)OC1CCCN2C1=NC(=C(C2=O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C,O=C(CCCCCCCCCCCCCCC)OC1c2n(c(c(c(C)n2)CCN3CCC(c4noc5c4ccc(F)c5)CC3)=O)CCC1,"InChI=1S/C39H57FN4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36(45)47-34-17-16-24-44-38(34)41-29(2)32(39(44)46)23-27-43-25-21-30(22-26-43)37-33-20-19-31(40)28-35(33)48-42-37/h19-20,28,30,34H,3-18,21-27H2,1-2H3",VOMKSBFLAZZBOW-UHFFFAOYSA-N
BMGC_DG17235,BMG_DG217853,CCO/N=C(/C1=NSC(=N1)NP(=O)(O)O)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SC4=NC(=CS4)C5=CC=[N+](C=C5)C)C(=O)[O-],c1(csc(SC2=C(N3[C@@]([C@@H](C3=O)NC(/C(/c4nc(NP(=O)([O-])O)sn4)=N\OCC)=O)(SC2)[H])C(=O)O)n1)-c5cc[n+](cc5)C,"InChI=1S/C22H21N8O8PS4/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37)/b26-13-/t14-,19-/m1/s1",ZCCUWMICIWSJIX-NQJJCJBVSA-N
BMGC_DG17236,BMG_DG217856,C1CN(CCC1NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)CCCCC4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)NCC(F)(F)F,C1(c2ccccc2-c3c1cccc3)(C(NCC(F)(F)F)=O)CCCCN4CCC(CC4)NC(c5ccccc5-c6ccc(cc6)C(F)(F)F)=O,"InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)",MBBCVAKAJPKAKM-UHFFFAOYSA-N
BMGC_DG17237,BMG_DG217861,CCCCC(=O)NC1=CC(=C(C=C1)Br)N2C(=O)N(C(=N2)CC)CC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)OC(C)(C)C)F,,"InChI=1S/C33H37BrFN5O6S/c1-6-8-13-30(41)36-23-16-17-25(34)27(19-23)40-32(43)39(29(7-2)37-40)20-22-15-14-21(18-26(22)35)24-11-9-10-12-28(24)47(44,45)38-31(42)46-33(3,4)5/h9-12,14-19H,6-8,13,20H2,1-5H3,(H,36,41)(H,38,42)",TVHACRDUPFKWBO-UHFFFAOYSA-N
BMGC_DG17238,BMG_DG217862,,c1(c(c(C(=O)CCCCCCCCCCC)c(c(c1O)C(=O)CCCCCCCCCCC)O)O)C2c3c(OC(C2)c4ccc(cc4)O)cc(cc3)O,,CEJAYJCUSZHYDS-UHFFFAOYSA-N
BMGC_DG17239,BMG_DG217865,CC1=NOC(=N1)/C(=C/C2=CC(=CC=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)/C5=CC=C(C=C5)S(=O)(=O)C,n1cccc2cc(cc(c12)-c3cc(ccc3)/C=C(\c4ccc(cc4)S(=O)(=O)C)/c5nc(no5)C)C(C)(S(=O)(=O)C)C,"InChI=1S/C31H29N3O5S2/c1-20-33-30(39-34-20)28(22-11-13-26(14-12-22)40(4,35)36)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,37)38)18-24-10-7-15-32-29(24)27/h6-19H,1-5H3/b28-17+",YYGZHVJDHMMABU-OGLMXYFKSA-N
BMGC_DG17240,BMG_DG217866,,c1(ccc2n(c(CCNS(=O)(=O)Cc3ccc(c(c3)Cl)Cl)c(CCCc4ccc(cc4)C(O)=O)c2c1)C(c5ccccc5)c6ccccc6)Cl,,HIZOPJQOPKRKFM-UHFFFAOYSA-N
BMGC_DG17241,BMG_DG217868,COC1=NC=C(C=C1)[C@H](CC(=O)O)N2CCN(C2=O)CCCC3=NC4=C(CCCN4)C=C3,OC(=O)C[C@@H](c1ccc(OC)nc1)N2CCN(CCCc3ccc4CCCNc4n3)C2=O,"InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1",HGFOOLONGOBCMP-IBGZPJMESA-N
BMGC_DG17242,BMG_DG217869,,C1(c2ccccc2-c3ccccc31)(C(=O)NCC(F)(F)F)CCCCn4c5c(nc4C)c(c(cc5)C)NC(=O)c6c(cccc6)-c7ccc(cc7)C(F)(F)F,,PCOWNQCLFYEXLR-UHFFFAOYSA-N
BMGC_DG17243,BMG_DG217875,CC(C)(C)OC(=O)NCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N,C(c1c[nH]c2ccccc21)[C@H](NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N)Cc3ccccc3,"InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1",NEYNJQRKHLUJRU-DZUOILHNSA-N
BMGC_DG17244,BMG_DG217880,CSCCNC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)O,P(C(P(OP(O)(OC[C@@H]1[C@H]([C@@H](O)[C@H](n2c3nc(SCCC(F)(F)F)nc(c3nc2)NCCSC)O1)O)=O)(=O)O)(Cl)Cl)(O)(=O)O,"InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1",PAEBIVWUMLRPSK-IDTAVKCVSA-N
BMGC_DG17245,BMG_DG217881,CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC)C)OC,C1(C2=C([C@H](C[C@]1([C@H]([C@]3([C@](C([C@@H]2OC)=O)([C@H](C[C@@]4([C@]3(CO4)OC(=O)C)[H])OC)C)[H])OC(=O)c5ccccc5)O)OC(=O)[C@@H]([C@H](c6ccccc6)NC(=O)OC(C)(C)C)O)C)(C)C,"InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1",BMQGVNUXMIRLCK-OAGWZNDDSA-N
BMGC_DG17246,BMG_DG217892,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)C5=CC=CO5)C)O)F)C)F,c1(occc1)C(O[C@@]2([C@@H](C[C@@]3([C@@]2(C[C@H](O)[C@@]4([C@@]5(C(=CC(=O)C=C5)[C@H](C[C@@]34[H])F)C)F)C)[H])C)C(=O)SCF)=O,"InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1",XTULMSXFIHGYFS-VLSRWLAYSA-N
BMGC_DG17247,BMG_DG217898,CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=CC=C4)N,,"InChI=1S/C54H76N14O10/c1-32(2)28-41(66-47(72)36(55)29-33-14-6-3-7-15-33)50(75)67-42(31-35-18-10-5-11-19-35)51(76)64-39(23-25-45(57)70)53(78)68-27-13-21-43(68)52(77)63-38(22-24-44(56)69)49(74)62-37(20-12-26-61-54(59)60)48(73)65-40(46(58)71)30-34-16-8-4-9-17-34/h3-11,14-19,32,36-43H,12-13,20-31,55H2,1-2H3,(H2,56,69)(H2,57,70)(H2,58,71)(H,62,74)(H,63,77)(H,64,76)(H,65,73)(H,66,72)(H,67,75)(H4,59,60,61)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1",HWYCFZUSOBOBIN-AQJXLSMYSA-N
BMGC_DG17248,BMG_DG217917,,O1B2OB([O-])OB1OB(O2)[O-],,GDTSJMKGXGJFGQ-UHFFFAOYSA-N
BMGC_DG17249,BMG_DG217953,,[C@@]12([C@](NC(=O)[C@@H](N)C)(C(=O)O)CC[C@@]1([H])[C@@H]2C(=O)O)[H],,UPSXYNJDCKOCFD-QIMCWZKGSA-N
BMGC_DG17250,BMG_DG217959,,N1(CCOCC1)Cc2ccc(cc2)OC3CCN(CC3)C(C)C,,AYEMHSJPBSPTSA-UHFFFAOYSA-N
BMGC_DG17251,BMG_DG217967,,c1(c(cc2c(c1)C=C(C(O)=O)[C@@H](C(F)(F)F)O2)C(C)(C)C)Cl,,QGCKNIAMHUUUDI-LBPRGKRZSA-N
BMGC_DG17252,BMG_DG217982,,c1(ccc(cc1)/N=N/c2c(n[nH]c2N)N)O,,AYZRKFOEZQBUEA-OUKQBFOZSA-N
BMGC_DG17253,BMG_DG217987,,CN1CC[C@@]2(CN3CCc4c3c(ccc4)[C@@]2(C1)[H])[H],,YASBOGFWAMXINH-TZMCWYRMSA-N
BMGC_DG17254,BMG_DG217990,,N1([C@H]([C@H]([C@@H]([C@H](C1)O)O)O)CO)CCCCC,,HCZQIIVHWYFIPW-UKKRHICBSA-N
BMGC_DG17255,BMG_DG218002,,n1[nH]c-2c(c1)CCCc3c2c(sc3C)C,,YZKGQHRABFMYLD-UHFFFAOYSA-N
BMGC_DG17256,BMG_DG218003,,Cc1cc(=O)oc2cc(OS(N)(=O)=O)ccc12,,UFGBGFMPBMEVMI-UHFFFAOYSA-N
BMGC_DG17257,BMG_DG218012,,,,
BMGC_DG17258,BMG_DG218018,CCCCC1=NC(=C2C(=N1)N(C(=N2)N3N=CC=N3)C)N,CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,"InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)",CYYQMAWUIRPCNW-UHFFFAOYSA-N
BMGC_DG17259,BMG_DG218030,,c12c(c(cc(o1)N3CCOCC3)=O)ccc4ccccc42,,KKTZALUTXUZPSN-UHFFFAOYSA-N
BMGC_DG17260,BMG_DG218032,,CN(C)CCc1c2c([nH]c1)ccc(c2)C=3CCN(CC3)C,,RQTZMTMTBWAQAI-UHFFFAOYSA-N
BMGC_DG17261,BMG_DG218041,,c12c(c(OC)c3c(c1OCC=C(C)C)occ3)ccc(o2)=O,,BMLZFLQMBMYVHG-UHFFFAOYSA-N
BMGC_DG17262,BMG_DG218044,,c1cc(c(cc1S(=O)(=O)N)I)N,,HCODCRHNVCTCTR-UHFFFAOYSA-N
BMGC_DG17263,BMG_DG218049,,c1(c(cc(cc1)F)CNC)Oc2cc(c(cc2)Cl)Cl,,FQEBOQLYHASAOY-UHFFFAOYSA-N
BMGC_DG17264,BMG_DG218052,C(CO)COP(=O)(N)N(CCCl)CCCl,P(N(CCCl)CCCl)(=O)(N)OCCCO,"InChI=1S/C7H17Cl2N2O3P/c8-2-4-11(5-3-9)15(10,13)14-7-1-6-12/h12H,1-7H2,(H2,10,13)",BZGFIGVSVQRQBJ-UHFFFAOYSA-N
BMGC_DG17265,BMG_DG218057,,O=c1c2c3CCCCc3sc2nc[nH]1,,NMMOEJUJKIXUQZ-UHFFFAOYSA-N
BMGC_DG17266,BMG_DG218064,,,,
BMGC_DG17267,BMG_DG218068,,C(CCCC1CC1)(=O)c2cc3C(COc3c(c2)C(C)(C)C)(C)C,,DAEKZKUAFVMFKP-UHFFFAOYSA-N
BMGC_DG17268,BMG_DG218084,CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCC(=O)O,c1(ccc(Cc2c(cc(OCC(O)=O)cc2C)C)cc1C(C)C)O,"InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)",QNAZTOHXCZPOSA-UHFFFAOYSA-N
BMGC_DG17269,BMG_DG218086,C1CNCCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F,,"InChI=1S/C19H18ClFN2/c20-14-1-6-19-17(11-14)18(13-7-9-22-10-8-13)12-23(19)16-4-2-15(21)3-5-16/h1-6,11-13,22H,7-10H2",YCXCLZSLZGBCTA-UHFFFAOYSA-N
BMGC_DG17270,BMG_DG218096,CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=C(C=C(C=C2)O)O)O)C,C(/C=C/c1c(O)cc(O)cc1)(=O)c2c(O)c(CC=C(C)C)c(O)cc2,"InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+",NXBYIJSAISXPKJ-WEVVVXLNSA-N
BMGC_DG17271,BMG_DG218099,CCCCC/C=C\C/C=C\C/C=C\C=C\C(CCCC(=O)O)O,CCCCC/C=C\C/C=C\C/C=C\C=C\C(O)CCCC(O)=O,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+",KGIJOOYOSFUGPC-XTDASVJISA-N
BMGC_DG17272,BMG_DG218102,CCOC1=CC2=C(C=C1)N=C(N2)SCCN3CCOCC3,c1c2[nH]c(SCCN3CCOCC3)nc2cc(OCC)c1,"InChI=1S/C15H21N3O2S/c1-2-20-12-3-4-13-14(11-12)17-15(16-13)21-10-7-18-5-8-19-9-6-18/h3-4,11H,2,5-10H2,1H3,(H,16,17)",WWNUCVSRRUDYPP-UHFFFAOYSA-N
BMGC_DG17273,BMG_DG218113,C/C(=C\C(=O)O)/C=C/[C@@H]1C[C@]1(C)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C,CC1(C)c2cc([C@@]3([C@H](/C=C/C(/C)=C/C(O)=O)C3)C)ccc2C(C)(C)CC1,"InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m1/s1",BOOOLEGQBVUTKC-NVQSDHBMSA-N
BMGC_DG17274,BMG_DG218116,,c1(cc(c(c(c1)Cl)Oc2cc(c(cc2)O)C(C)C)Cl)CC(=O)O,,OZYQIQVPUZANTM-UHFFFAOYSA-N
BMGC_DG17275,BMG_DG218117,,n1(cnc2c1ccc(/C(=N/OCC)/C)c2)-c3cc(-c4cnccc4)ccc3,,NHJFEXZXSCFYRX-PCLIKHOPSA-N
BMGC_DG17276,BMG_DG218118,,c1(c(cc(cc1)N2CCN(CC2)Cc3nc4c([nH]3)cccc4)Cl)CO,,HGMLOQOHAYKVJN-UHFFFAOYSA-N
BMGC_DG17277,BMG_DG218125,C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F,c1ncc(c2c(cccc12)S(=O)(=O)N3[C@H](CNCCC3)C)F,"InChI=1S/C15H18FN3O2S/c1-11-8-17-6-3-7-19(11)22(20,21)14-5-2-4-12-9-18-10-13(16)15(12)14/h2,4-5,9-11,17H,3,6-8H2,1H3/t11-/m0/s1",QSKQVZWVLOIIEV-NSHDSACASA-N
BMGC_DG17278,BMG_DG218128,,,,
BMGC_DG17279,BMG_DG218130,CC1=CC(=CN=C1NC)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C,n1c(c(cc(c1)-c2c(c3n(cc(c(c3cc2)=O)C(=O)O)C4CC4)C)C)NC,"InChI=1S/C21H21N3O3/c1-11-8-13(9-23-20(11)22-3)15-6-7-16-18(12(15)2)24(14-4-5-14)10-17(19(16)25)21(26)27/h6-10,14H,4-5H2,1-3H3,(H,22,23)(H,26,27)",XPIJWUTXQAGSLK-UHFFFAOYSA-N
BMGC_DG17280,BMG_DG218136,C(#N)N,C(#N)N,InChI=1S/CH2N2/c2-1-3/h2H2,XZMCDFZZKTWFGF-UHFFFAOYSA-N
BMGC_DG17281,BMG_DG218143,CCC1=CC=CC(=C1CNC2=CC(=CN3C2=NC(=C3C)C)C(=O)N)C,CCc1c(CNc2cc(cn3c(C)c(C)nc23)C(N)=O)c(C)ccc1,"InChI=1S/C20H24N4O/c1-5-15-8-6-7-12(2)17(15)10-22-18-9-16(19(21)25)11-24-14(4)13(3)23-20(18)24/h6-9,11,22H,5,10H2,1-4H3,(H2,21,25)",IDSZXCFCCNVXER-UHFFFAOYSA-N
BMGC_DG17282,BMG_DG218147,,C12CC3CC(C1)CC(C2)(C3)c4c(ccc(c4)-c5ccc(cc5)/C=C/C(O)=O)O,,QAWBIEIZDDIEMW-FPYGCLRLSA-N
BMGC_DG17283,BMG_DG218160,CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)/C=C/C(=O)C2=CC=C(C=C2)SC,O(c1c(C)cc(/C=C/C(c2ccc(SC)cc2)=O)cc1C)C(C)(C)C(=O)O,"InChI=1S/C22H24O4S/c1-14-12-16(13-15(2)20(14)26-22(3,4)21(24)25)6-11-19(23)17-7-9-18(27-5)10-8-17/h6-13H,1-5H3,(H,24,25)/b11-6+",AFLFKFHDSCQHOL-IZZDOVSWSA-N
BMGC_DG17284,BMG_DG218171,,CC(c1nc2ncc(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)n2nc1)(O)C,,PCZLQMGFNUNVOM-UHFFFAOYSA-N
BMGC_DG17285,BMG_DG218176,CC1=CC(=CC=C1)C[C@@H]2C[C@H](CNC2=O)C3=CC(=C(C=C3)OC)OC4CCCC4,O=C1[C@H](Cc2cccc(C)c2)C[C@@H](c3ccc(OC)c(OC4CCCC4)c3)CN1,"InChI=1S/C25H31NO3/c1-17-6-5-7-18(12-17)13-20-14-21(16-26-25(20)27)19-10-11-23(28-2)24(15-19)29-22-8-3-4-9-22/h5-7,10-12,15,20-22H,3-4,8-9,13-14,16H2,1-2H3,(H,26,27)/t20-,21-/m1/s1",ABEJDMOBAFLQNJ-NHCUHLMSSA-N
BMGC_DG17286,BMG_DG218178,CC1=CN=C(C=C1)CNCC2(CCN(CC2)C(=O)C3=CC(=C(C=C3)F)Cl)F,Fc1c(Cl)cc(C(=O)N2CCC(CNCc3ncc(C)cc3)(F)CC2)cc1,"InChI=1S/C20H22ClF2N3O/c1-14-2-4-16(25-11-14)12-24-13-20(23)6-8-26(9-7-20)19(27)15-3-5-18(22)17(21)10-15/h2-5,10-11,24H,6-9,12-13H2,1H3",PKZXLMVXBZICTF-UHFFFAOYSA-N
BMGC_DG17287,BMG_DG218180,,c1cc(ccc1C#N)C(=O)CBr,,LJANCPRIUMHGJE-UHFFFAOYSA-N
BMGC_DG17288,BMG_DG218181,,n1cnc2c(c1N)N=C(C(O2)(C)C)c3ccc(cc3)[C@H]4CC[C@@H](CC4)CC(O)=O,,FUIYMYNYUHVDPT-HDJSIYSDSA-N
BMGC_DG17289,BMG_DG218182,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)OCCl)O)CCC4=CC(=O)C=C[C@]34C)O,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)[H])(C=CC(=O)C4)C)[H])(CC[C@@]2(C(OCCl)=O)O)[H])C,"InChI=1S/C21H27ClO5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,18(25)27-11-22)20(15,2)10-16(24)17(14)19/h5,7,9,14-17,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,17+,19-,20-,21-/m0/s1",YPZVAYHNBBHPTO-MXRBDKCISA-N
BMGC_DG17290,BMG_DG218186,,N12C([C@@H](N=C(c3c1c(cc(C)c3)CC2)c4ccccc4)NC(=O)c5ccncc5)=O,,KYFWUBJMTHVBIF-QFIPXVFZSA-N
BMGC_DG17291,BMG_DG218187,C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC3=NC=CC(=N3)C4=CN=CC=C4,c1cc(c(NC(c2ccc(CNc3nccc(n3)-c4cnccc4)cc2)=O)cc1)N,"InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)",HRNLUBSXIHFDHP-UHFFFAOYSA-N
BMGC_DG17292,BMG_DG218188,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O,c1(NC(Cc2csc(n2)N)=O)ccc(cc1)CCNC[C@@H](c3ccccc3)O,"InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1",PBAPPPCECJKMCM-IBGZPJMESA-N
BMGC_DG17293,BMG_DG218189,CC[C@H](C1=CC=C(O1)C)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)C,N(c1c(N[C@H](CC)c2oc(C)cc2)c(=O)c1=O)c3c(O)c(C(N(C)C)=O)ccc3,"InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1",RXIUEIPPLAFSDF-CYBMUJFWSA-N
BMGC_DG17294,BMG_DG218190,,c1(nc(ccn1)-c2c(cc(cc2OC)OC)OC)N(CCC)C(C3CC3)C4CC4,,VVOKUTLMKHSKLC-UHFFFAOYSA-N
BMGC_DG17295,BMG_DG218191,,COc1ccccc1N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2,,MNIPVWNHCWNYRB-UHFFFAOYSA-N
BMGC_DG17296,BMG_DG218192,,C(CO)(N1CCC(CC1)c2c(c([nH]n2)-c3ccc(cc3)Cl)-c4ncncc4)=O,,CATQHDWESBRRQA-UHFFFAOYSA-N
BMGC_DG17297,BMG_DG218194,,c12nc(cc(n1nc(c2-c3c(cc(cc3)OC)OC)C)N(CCC)CCOC)C,,AKFWXFDMKRSYRD-UHFFFAOYSA-N
BMGC_DG17298,BMG_DG218195,,NC1([C@@H]2CCN(c3c(OC)c4c(cc3)c(=O)c(C(O)=O)cn4[C@@H]5C[C@@H]5F)C2)CC1,,ZLICIITZJTYKAQ-DIOULYMOSA-N
BMGC_DG17299,BMG_DG218198,,COc1c(c(C)c(O)c(C)c1C)CN(C)CCOc2c(cc(c(c2)C)O)C(C)C,,VXLRYJNESHCVDX-UHFFFAOYSA-N
BMGC_DG17300,BMG_DG218200,C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)Cl,C(F)(F)(F)c1nn(c(c1)-c2ccc(cc2)Cl)-c3ccc(cc3)S(N)(=O)=O,"InChI=1S/C16H11ClF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)",NSQNZEUFHPTJME-UHFFFAOYSA-N
BMGC_DG17301,BMG_DG218210,C1COCCC1(C(=O)NO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F,S(NC1(C(=O)NO)CCOCC1)(c2ccc(Oc3ccc(cc3)F)cc2)(=O)=O,"InChI=1S/C18H19FN2O6S/c19-13-1-3-14(4-2-13)27-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)",ZBRHTUMWSDPCMI-UHFFFAOYSA-N
BMGC_DG17302,BMG_DG218217,C1=CC2=C(C(=C1)O)C(=O)C3=C(C2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO,,"InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14?,17-,19+,20-,21+/m1/s1",AFHJQYHRLPMKHU-CGISPIQUSA-N
BMGC_DG17303,BMG_DG218229,C1CCC(C1)(C2=CC3=C(C=C2)[C@@H]([C@H](CO3)CC4=CC=C(C=C4)C5=CC=CC=C5)O)C(=O)O,c12c(OC[C@@H]([C@H]1O)Cc3ccc(cc3)-c4ccccc4)cc(C5(C(=O)O)CCCC5)cc2,"InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1",KMNLXCBYBKHKSK-BKMJKUGQSA-N
BMGC_DG17304,BMG_DG218231,CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC6=C(C=C5)OCO6)C)O,C12=C3C(=CC(CC3)=O)CC[C@]1([C@@]4(CC[C@]([C@@]4(C)C[C@@H]2c5cc6OCOc6cc5)(C#CC)O)[H])[H],"InChI=1S/C28H30O4/c1-3-11-28(30)12-10-23-21-7-4-17-13-19(29)6-8-20(17)26(21)22(15-27(23,28)2)18-5-9-24-25(14-18)32-16-31-24/h5,9,13-14,21-23,30H,4,6-8,10,12,15-16H2,1-2H3/t21-,22+,23-,27-,28-/m0/s1",DFELGYQKEOCHOA-BZAFBGKRSA-N
BMGC_DG17305,BMG_DG218239,,,,
BMGC_DG17306,BMG_DG218240,CS(=O)(=O)C1=CC(=CC2=C1N(C3=C2CC[C@@H]3CC(=O)O)CC4=CC=C(C=C4)Cl)F,n1(c2c(S(=O)(=O)C)cc(cc2c3c1[C@@H](CC(=O)O)CC3)F)Cc4ccc(Cl)cc4,"InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1",NXFFJDQHYLNEJK-CYBMUJFWSA-N
BMGC_DG17307,BMG_DG218242,CC1(CCC(C2=C1C=C(C(=C2Cl)O)C(=O)NC3=CC(=C(C(=C3)F)C(=O)O)F)(C)C)C,c1(C(Nc2cc(F)c(c(c2)F)C(=O)O)=O)c(c(Cl)c3c(c1)C(CCC3(C)C)(C)C)O,"InChI=1S/C22H22ClF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)",PNAWUIKCVQSLFG-UHFFFAOYSA-N
BMGC_DG17308,BMG_DG218243,,[nH]1c(c(cc2ccc(c(c12)OCCCCC)OC)C(=O)NCc3cc4OCOc4cc3)=O,,GRAJFFFXJYFVOC-UHFFFAOYSA-N
BMGC_DG17309,BMG_DG218246,CC1=CN=C2N1C3=C(C=C(C=C3)Br)C(=N[C@H]2CCC(=O)OC)C4=CC=CC=N4,Cc1cnc2[C@H](CCC(=O)OC)N=C(c3cc(ccc3-n12)Br)c4ccccn4,"InChI=1S/C21H19BrN4O2/c1-13-12-24-21-17(7-9-19(27)28-2)25-20(16-5-3-4-10-23-16)15-11-14(22)6-8-18(15)26(13)21/h3-6,8,10-12,17H,7,9H2,1-2H3/t17-/m0/s1",CYHWMBVXXDIZNZ-KRWDZBQOSA-N
BMGC_DG17310,BMG_DG218249,,c1(csc2ccc(O)cc12)C(=O)N[C@H]3[C@H]4C([C@@H](C[C@@H]3C/C=C\CCCC(=O)O)C4)(C)C,,ZXBHFWFKSIYJEK-MFJOXFORSA-N
BMGC_DG17311,BMG_DG218253,C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F,c1ccc2c(c1)c(ccn2)CNc3c(C(=O)Nc4ccc(cc4)OC(F)(F)F)scc3,"InChI=1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)",FGTCROZDHDSNIO-UHFFFAOYSA-N
BMGC_DG17312,BMG_DG218256,,c1cc[nH]c1C(N2CCN(CC2)c3ccc(cc3C(F)(F)F)C(NC(N)=N)=O)=O,,SRRHGTUDJFMQIV-UHFFFAOYSA-N
BMGC_DG17313,BMG_DG218262,,Cc1c(n(nc1C(NCCCCC)=O)-c2c(Cl)cc(Cl)cc2)-c3ccc(Cl)cc3,,JDBOTXIRNSWBCG-UHFFFAOYSA-N
BMGC_DG17314,BMG_DG218263,,N1(C([C@@H](Cc2c(C1)cc(cc2)OCCc3nc(NC)ccc3)CC(=O)O)=O)CC(F)(F)F,,KSSPHFGIOASRDE-HNNXBMFYSA-N
BMGC_DG17315,BMG_DG218265,CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/C(COC2=CC=CC=C2)(F)F)O)O,[C@@H]1(/C=C/C(COc2ccccc2)(F)F)[C@H]([C@@H](O)C[C@H]1O)C/C=C\CCCC(=O)OC(C)C,"InChI=1S/C25H34F2O5/c1-18(2)32-24(30)13-9-4-3-8-12-20-21(23(29)16-22(20)28)14-15-25(26,27)17-31-19-10-6-5-7-11-19/h3,5-8,10-11,14-15,18,20-23,28-29H,4,9,12-13,16-17H2,1-2H3/b8-3-,15-14+/t20-,21-,22+,23-/m1/s1",WSNODXPBBALQOF-VEJSHDCNSA-N
BMGC_DG17316,BMG_DG218266,,C[C@@H](c1ccc(cc1)Br)NC(c2c3c(ccc2)[nH]c(=O)c(=O)[nH]3)P(=O)(O)O,,XXZGNAZRWCBSBK-WFVOFKTRSA-N
BMGC_DG17317,BMG_DG218279,CC(=CCC/C(=C/CC/C(=C/CN1C2=C(C(=CC(=C2)O)O)NC3=C(C1=O)C=CC=C3O)/C)/C)C,N1(c2c(Nc3c(C1=O)cccc3O)c(cc(c2)O)O)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C,"InChI=1S/C28H34N2O4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-30-23-16-21(31)17-25(33)27(23)29-26-22(28(30)34)12-7-13-24(26)32/h7-8,10,12-14,16-17,29,31-33H,5-6,9,11,15H2,1-4H3/b19-10+,20-14+",SALVHVNECODMJP-GNUCVDFRSA-N
BMGC_DG17318,BMG_DG218280,,C(CNC1CCOCC1)Nc2cc(nc3n2nc(c3-c4c(cc(cc4Cl)OC)Cl)C)C,,CVABPTLRAQIZJU-UHFFFAOYSA-N
BMGC_DG17319,BMG_DG218284,CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)Cl)Cl)C,n1(c(nc2c1cc(C(NS(=O)(=O)CCCCC)=O)cc2)C)Cc3c(cc(cc3)Cl)Cl,"InChI=1S/C21H23Cl2N3O3S/c1-3-4-5-10-30(28,29)25-21(27)15-7-9-19-20(11-15)26(14(2)24-19)13-16-6-8-17(22)12-18(16)23/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,25,27)",UYGZODVVDUIDDQ-UHFFFAOYSA-N
BMGC_DG17320,BMG_DG218289,C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)O,C(C(N[C@H](C(NCc1ccc(O)cc1)=O)CCCNC(=N)N)=O)(c2ccccc2)c3ccccc3,"InChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)/t23-/m0/s1",KUWBXRGRMQZCSS-QHCPKHFHSA-N
BMGC_DG17321,BMG_DG218291,,Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c4cccc(C(=N)N)c4)n1,,APFKCRTWNKCURW-UHFFFAOYSA-N
BMGC_DG17322,BMG_DG218292,,n1(c(\C=C(\C(=O)O)/Cc2sccc2)cnc1CCCC)Cc3c4c(cccc4)c(cc3)C(=O)O,,FDCUUQDMGDDHFO-XMHGGMMESA-N
BMGC_DG17323,BMG_DG218297,CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCNCC3)NC4=NC=CC(=N4)C5=CN=CC=C5,N1(CCNCC1)Cc2ccc(C(Nc3cc(Nc4nc(-c5cnccc5)ccn4)c(cc3)C)=O)cc2,"InChI=1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34)",BQQYXPHRXIZMDM-UHFFFAOYSA-N
BMGC_DG17324,BMG_DG218298,CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C,,"InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/p-1/b10-9+/t16-,17-/m1/s1",BPRHUIZQVSMCRT-VEUZHWNKSA-M
BMGC_DG17325,BMG_DG218299,,O(c1c2c(cc(c(c2)OC)OC)ncc1)c3cc(OC)c(cc3)NC(NC(C)c4nccs4)=O,,SHPFDGWALWEPGS-UHFFFAOYSA-N
BMGC_DG17326,BMG_DG218302,,C(=O)N(O)[C@H](COc1ccc(cc1)-c2ccc(cc2)OC(F)(F)F)CN3C(C(NC3=O)(C)C)=O,,IIHFBHZWJNGWRC-INIZCTEOSA-N
BMGC_DG17327,BMG_DG218303,CCN1N=C(N=N1)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=C(N=C43)N[C@@H](CC5=CC=CC=C5)CO)N)O)O,CCn1nc([C@@H]2[C@H]([C@H]([C@H](n3cnc4c(N)nc(N[C@@H](Cc5ccccc5)CO)nc43)O2)O)O)nn1,"InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1",FLBKPDIBGNWXMT-NIQZGXKPSA-N
BMGC_DG17328,BMG_DG218306,COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCC[C@H]4CO)Cl,c1cnc(CNC(c2c(NCc3ccc(c(c3)Cl)OC)nc(nc2)N4[C@@H](CCC4)CO)=O)nc1,"InChI=1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1",WEAJZXNPAWBCOA-INIZCTEOSA-N
BMGC_DG17329,BMG_DG218307,,N(C(=O)N[C@@H]1[C@@H](OC(OC1)(C)C)c2ccccc2)c3c(cc(cc3)Br)Br,,RBKIJGLHFFQHBE-IRXDYDNUSA-N
BMGC_DG17330,BMG_DG218316,C1=CC=C(C=C1)N2N=C(N=N2)C3=CC=C(C=C3)S(=O)(=O)N[C@H](CC4=CNC5=CC=CC=C54)C(=O)O,C([C@H](NS(=O)(=O)c1ccc(cc1)-c2nnn(n2)-c3ccccc3)Cc4c[nH]c5ccccc45)(=O)O,"InChI=1S/C24H20N6O4S/c31-24(32)22(14-17-15-25-21-9-5-4-8-20(17)21)28-35(33,34)19-12-10-16(11-13-19)23-26-29-30(27-23)18-6-2-1-3-7-18/h1-13,15,22,25,28H,14H2,(H,31,32)/t22-/m1/s1",NLABJQQLMHAJIL-JOCHJYFZSA-N
BMGC_DG17331,BMG_DG218321,,CS(=O)(=O)Nc1c(ccc(c1)[C@H](CN[C@H](Cc2ccccc2)c3ccc(cc3)OC(F)F)O)O,,XWLVOJZVWRCRMD-OFNKIYASSA-N
BMGC_DG17332,BMG_DG218323,,C(C(C)(C)Sc1ccc(cc1)CCN(CCCCCCC)C(=O)Nc2c(cc(cc2)F)F)(=O)O,,KYQNYMXQHLMADB-UHFFFAOYSA-N
BMGC_DG17333,BMG_DG218325,,C(COc1ccc(cc1)CC2=C(c3ccccc3C(C2=O)=O)c4c[nH]c5ccccc45)(=O)OC(C)(C)C,,ZGPUJIKBVXJDGJ-UHFFFAOYSA-N
BMGC_DG17334,BMG_DG218329,CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC=CC(=C3)NC)C4=CC=CC=N4,c1cc2c(cc1)C(=N[C@@H](NC(Nc3cccc(c3)NC)=O)C(N2CC(C(C)(C)C)=O)=O)c4ncccc4,"InChI=1S/C28H30N6O3/c1-28(2,3)23(35)17-34-22-14-6-5-12-20(22)24(21-13-7-8-15-30-21)32-25(26(34)36)33-27(37)31-19-11-9-10-18(16-19)29-4/h5-16,25,29H,17H2,1-4H3,(H2,31,33,37)/t25-/m0/s1",YDZYKNJZCVIKPP-VWLOTQADSA-N
BMGC_DG17335,BMG_DG218333,,C(c1c(C)oc(-c2ccccc2)n1)COc3ccc(C[C@@H](C(=O)O)Nc4ccccc4C(=O)OC)cc3,,KEGOAFNIGUBYHZ-SANMLTNESA-N
BMGC_DG17336,BMG_DG218334,CCCCC1=NC(=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CC(=S)N(C)C)C,n1nc([nH]n1)-c2c(cccc2)-c3ccc(Cn4c(nc(c(c4=O)CC(N(C)C)=S)C)CCCC)cc3,"InChI=1S/C27H31N7OS/c1-5-6-11-24-28-18(2)23(16-25(36)33(3)4)27(35)34(24)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)26-29-31-32-30-26/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,29,30,31,32)",AMEROGPZOLAFBN-UHFFFAOYSA-N
BMGC_DG17337,BMG_DG218341,CC1=C(SC=N1)/C=C\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O,N12C(=O)[C@H]([C@]1(SCC(=C2C(O)=O)/C=C\c3c(ncs3)C)[H])NC(\C(\c4nc(N)sc4)=N/OC)=O,"InChI=1S/C19H18N6O5S3/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10/h3-4,6-7,13,17H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29)/b4-3-,24-12-/t13-,17-/m1/s1",KMIPKYQIOVAHOP-YLGJWRNMSA-N
BMGC_DG17338,BMG_DG218344,C[C@@H]1CN([C@H](CN1C(=O)C2=C(C=C3C(=C2)C(=CN3C)C(=O)C(=O)N(C)C)Cl)C)CC4=CC=C(C=C4)F,c1(cn(c2cc(c(cc21)C(=O)N3C[C@@H](N(Cc4ccc(cc4)F)C[C@H]3C)C)Cl)C)C(C(N(C)C)=O)=O,"InChI=1S/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1",ZMELOYOKMZBMRB-DLBZAZTESA-N
BMGC_DG17339,BMG_DG218351,,COc1ccc(Nc2ccc(CCNC[C@H](O)c3c4c([nH]c(cc4)=O)c(O)cc3)cc2)cc1-c5ccccc5,,LGFPFBZHAODPHC-LJAQVGFWSA-N
BMGC_DG17340,BMG_DG218354,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F,[C@@H]1([C@@H]([C@@H]([C@@H](OCCO)C1)O)O)n2c3nc(nc(N[C@@H]4C[C@H]4c5ccc(F)c(F)c5)c3nn2)SCCC,"InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1",OEKWJQXRCDYSHL-FNOIDJSQSA-N
BMGC_DG17341,BMG_DG218355,CCOC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=NN(C(=C2CC3=CC=C(C=C3)OC(C)C)C)C(C)C)O)O)O,c1(ccc(OC(C)C)cc1)Cc2c(n(nc2O[C@H]3[C@@H]([C@H]([C@H](O)[C@H](O3)COC(OCC)=O)O)O)C(C)C)C,"InChI=1S/C26H38N2O9/c1-7-33-26(32)34-13-20-21(29)22(30)23(31)25(36-20)37-24-19(16(6)28(27-24)14(2)3)12-17-8-10-18(11-9-17)35-15(4)5/h8-11,14-15,20-23,25,29-31H,7,12-13H2,1-6H3/t20-,21-,22+,23-,25+/m1/s1",UAOCLDQAQNNEAX-ABMICEGHSA-N
BMGC_DG17342,BMG_DG218361,B([C@H](CCCOC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)(O)O,c1ccc(cc1)COC(=O)N[C@@H](C(N2[C@@H](CCC2)C(N[C@H](B(O)O)CCCOC)=O)=O)Cc3ccccc3,"InChI=1S/C27H36BN3O7/c1-37-17-9-15-24(28(35)36)30-25(32)23-14-8-16-31(23)26(33)22(18-20-10-4-2-5-11-20)29-27(34)38-19-21-12-6-3-7-13-21/h2-7,10-13,22-24,35-36H,8-9,14-19H2,1H3,(H,29,34)(H,30,32)/t22-,23+,24+/m1/s1",PAOGOXGDGABPSC-SGNDLWITSA-N
BMGC_DG17343,BMG_DG218363,,C([C@H]1N(CCC1)C([C@H](NCC(=O)O)C(c2ccccc2)c3ccccc3)=O)(=O)NCc4ccc(s4)C(=N)N,,BIHPYGVYKSQDLA-SQJMNOBHSA-N
BMGC_DG17344,BMG_DG218365,C1CC1N2CCC(CC2)(C(=O)NO)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)OC(F)(F)F,,"InChI=1S/C22H23F3N2O6S/c23-22(24,25)33-18-5-3-16(4-6-18)32-17-7-9-19(10-8-17)34(30,31)21(20(28)26-29)11-13-27(14-12-21)15-1-2-15/h3-10,15,29H,1-2,11-14H2,(H,26,28)",NBRBWZJMBITNBC-UHFFFAOYSA-N
BMGC_DG17345,BMG_DG218372,,CS(=O)(=O)Nc1c(ccc(c1)[C@H](CNC(c2ccc(cc2)OC(F)F)c3ccc(cc3)OC(F)F)O)O,,FUKHGCVTMAEHRG-NRFANRHFSA-N
BMGC_DG17346,BMG_DG218375,,C(COc1c(cc(cc1I)Cc2c(oc3c2cccc3)C)I)(=O)O,,OLIKCJUMYWSDIV-UHFFFAOYSA-N
BMGC_DG17347,BMG_DG218379,,C1(Nc2c(OC)cccc2C)=NCCO1,,AAYGWMVNFUJRJN-UHFFFAOYSA-N
BMGC_DG17348,BMG_DG218385,,FC(F)(F)COc1cc(F)ccc1N2CCN(CC2)CCCn3c(=O)[nH]cc(C)c3=O,,WEZFJPKJUIGDPS-UHFFFAOYSA-N
BMGC_DG17349,BMG_DG218387,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)Br,,"InChI=1S/C9H14BrN2O15P3/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1",IWFHOSULCAJGRM-UAKXSSHOSA-N
BMGC_DG17350,BMG_DG218392,CN1C2=C(C=C(C=C2)N(C)C)C(=O)N(C1=O)C3=CC=C(C=C3)C[C@@H](C(=O)OC)NC(=O)C4=C(C=CC=C4Cl)Cl,O=c1c2c(ccc(c2)N(C)C)n(C)c(=O)n1-c3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(OC)=O)cc3,"InChI=1S/C28H26Cl2N4O5/c1-32(2)18-12-13-23-19(15-18)26(36)34(28(38)33(23)3)17-10-8-16(9-11-17)14-22(27(37)39-4)31-25(35)24-20(29)6-5-7-21(24)30/h5-13,15,22H,14H2,1-4H3,(H,31,35)/t22-/m0/s1",MMHHPKCJJIFLBQ-QFIPXVFZSA-N
BMGC_DG17351,BMG_DG218397,C1[C@@H]([C@H](OC2=C1C(=CC3=C2[C@@H]4[C@H]([C@](O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O,O[C@H]1[C@@]2(Oc3c([C@]1(c4c(O2)cc(cc4O)O)[H])c5c(c(c3)O)C[C@@H]([C@H](O5)c6cc(O)c(cc6)O)O)c7cc(O)c(cc7)O,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26+,27+,29+,30-/m0/s1",NSEWTSAADLNHNH-TXZJYACMSA-N
BMGC_DG17352,BMG_DG218401,,o1c(ccc1)C(=O)N[C@@H](C(=O)N2CCN(CCC2)CCCOc3ccc(cc3)-c4ccc(cc4)C#N)Cc5ncsc5,,ZZPXXWARRVDGQK-GDLZYMKVSA-N
BMGC_DG17353,BMG_DG218408,,n1(c(n(CCCC2CCCC2)nn1)=O)-c3ccc(S(Nc4ccc(cc4)CCNC[C@@H](c5cnccc5)O)(=O)=O)cc3,,GCRTUWDFTYDUFB-LJAQVGFWSA-N
BMGC_DG17354,BMG_DG218437,CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)[C@H](O[C@@H](C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OC,C1(CCN(C(C[C@H]2O[C@H](c3c(c(ccc3)OC)OC)c4c(ccc(Cl)c4)N(C2=O)CC(C)(COC(=O)C)C)=O)CC1)CC(O)=O,"InChI=1S/C33H41ClN2O9/c1-20(37)44-19-33(2,3)18-36-25-10-9-22(34)16-24(25)30(23-7-6-8-26(42-4)31(23)43-5)45-27(32(36)41)17-28(38)35-13-11-21(12-14-35)15-29(39)40/h6-10,16,21,27,30H,11-15,17-19H2,1-5H3,(H,39,40)/t27-,30-/m1/s1",CMLUGNQVANVZHY-POURPWNDSA-N
BMGC_DG17355,BMG_DG218442,CC1=CC(=CC(=C1C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)O,C(/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)c1c(C)cc(O)cc1O,"InChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-21-19(5)14-20(23)15-22(21)24/h8,10,12,14-15,23-24H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+",JWDIUXFSIWOGDP-VZRGJMDUSA-N
BMGC_DG17356,BMG_DG218452,CCN(CC)CC1=CC(=C(C=C1)OCC[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@@H](CC5=C4C=CC(=C5)O)C)C)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,[C@]12(CC[C@@H]([C@@]1(C)CC[C@@]3(c4c(C[C@@H](C)[C@]32[H])cc(cc4)O)[H])CCOc5c(cc(cc5)CN(CC)CC)OC)[H].C(CC(=O)O)(CC(=O)O)(C(=O)O)O,"InChI=1S/C33H47NO3.C6H8O7/c1-6-34(7-2)21-23-8-13-30(31(19-23)36-5)37-17-15-25-9-12-29-32-22(3)18-24-20-26(35)10-11-27(24)28(32)14-16-33(25,29)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h8,10-11,13,19-20,22,25,28-29,32,35H,6-7,9,12,14-18,21H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t22-,25-,28-,29+,32-,33-;/m1./s1",VOHOCSJONOJOSD-SCIDSJFVSA-N
BMGC_DG17357,BMG_DG218454,CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C,N(C/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1)C(=O)COC,"InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+",LLVZBTWPGQVVLW-SNAWJCMRSA-N
BMGC_DG17358,BMG_DG218455,COCC1=C([C@@H](N(C(=O)N1)C(=O)NCCCN2CCC(CC2)C3=CC=CC=N3)C4=CC(=C(C=C4)F)F)C(=O)OC,COCC1=C(C(OC)=O)[C@H](c2cc(F)c(F)cc2)N(C(NCCCN3CCC(c4ccccn4)CC3)=O)C(=O)N1,"InChI=1S/C28H33F2N5O5/c1-39-17-23-24(26(36)40-2)25(19-7-8-20(29)21(30)16-19)35(28(38)33-23)27(37)32-12-5-13-34-14-9-18(10-15-34)22-6-3-4-11-31-22/h3-4,6-8,11,16,18,25H,5,9-10,12-15,17H2,1-2H3,(H,32,37)(H,33,38)/t25-/m0/s1",FFXFCSQUTLDLAR-VWLOTQADSA-N
BMGC_DG17359,BMG_DG218460,,C(O)(=O)c1c(CCCCCCC/C=C\C/C=C\CC=C)cccc1O,,QUVGEKPNSCFQIR-UTOQUPLUSA-N
BMGC_DG17360,BMG_DG218463,,S(CC(C(=O)O)(C)C)(c1ccc(OC(C(c2ccc(C(C(Oc3ccc(S(CC(C(=O)O)(C)C)(=O)=O)cc3)=O)(C)C)cc2)(C)C)=O)cc1)(=O)=O,,HVXFLNJFYRWDQU-UHFFFAOYSA-N
BMGC_DG17361,BMG_DG218467,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl,C1(N(c2ccc(N3C(=O)COCC3)cc2)C[C@@H](O1)CNC(c4sc(Cl)cc4)=O)=O,"InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1",KGFYHTZWPPHNLQ-AWEZNQCLSA-N
BMGC_DG17362,BMG_DG218468,,C(c1ccc(cc1)/C=C/c2cc3C(=CCC(c3cc2)(C)C)c4ccccc4)(=O)O,,VUODRPPTYLBGFM-CMDGGOBGSA-N
BMGC_DG17363,BMG_DG218472,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O,O[C@@H]1[C@@H]([C@H](O[C@H]1n2ccc(=O)[nH]c2=O)COP(OP(OP(OP(OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O)(=O)O)(=O)O)(=O)O)(=O)O)O,"InChI=1S/C18H27N5O21P4/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,20,28)(H,21,25,29)/t8-,9+,10+,13+,14+,15+,16+/m0/s1",FPNPSEMJLALQSA-MIYUEGBISA-N
BMGC_DG17364,BMG_DG218489,,n1nncn1[C@H]2CC[C@H](C[C@H]2OC)C[C@H]([C@]3(OC([C@]4(N(C(C([C@@]5(O[C@@](C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@@H](C)C([C@@H]([C@@H](/C(=C/[C@H](C(C3)=O)C)/C)O)OC)=O)C)/C)OC)([H])CC[C@H]5C)O)=O)=O)CCCC4)[H])=O)[H])C,,CGTADGCBEXYWNE-JUKNQOCSSA-N
BMGC_DG17365,BMG_DG218490,CC1=CC(=C(C=C1)O)C(=O)NC2CCC(CC2)NC(=O)C3=C(N=CC(=C3)F)OC4=CC(=C(C=C4)F)F,C(c1cc(cnc1Oc2cc(c(cc2)F)F)F)(=O)N[C@H]3CC[C@H](CC3)NC(c4c(ccc(c4)C)O)=O,"InChI=1S/C26H24F3N3O4/c1-14-2-9-23(33)19(10-14)24(34)31-16-3-5-17(6-4-16)32-25(35)20-11-15(27)13-30-26(20)36-18-7-8-21(28)22(29)12-18/h2,7-13,16-17,33H,3-6H2,1H3,(H,31,34)(H,32,35)",OHIUQAZROSYCMC-CALCHBBNSA-N;OHIUQAZROSYCMC-UHFFFAOYSA-N
BMGC_DG17366,BMG_DG218494,,C(C(C)(C)N)(=O)N[C@@H](C(=O)N1CCC=2[C@@](C1)(C(N(N2)CC(F)(F)F)=O)Cc3ccccn3)COCc4c(cc(cc4)F)F,,QUAJHCSLZMRTTM-JIPXPUAJSA-N
BMGC_DG17367,BMG_DG218516,C1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)OC3=O,[C@]12([C@@]([C@@H]3O[C@H]1CC3)(C(=O)OC2=O)[H])[H],"InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2/t3-,4+,5-,6+",JAABVEXCGCXWRR-FBXFSONDSA-N
BMGC_DG17368,BMG_DG218520,B(CCSC[C@@H](C(=O)O)N)(O)O,,"InChI=1S/C5H12BNO4S/c7-4(5(8)9)3-12-2-1-6(10)11/h4,10-11H,1-3,7H2,(H,8,9)/t4-/m0/s1",OTJHLDXXJHAZTN-BYPYZUCNSA-N
BMGC_DG17369,BMG_DG218524,,Cn1c(-n2nccn2)nc3c(N)ncnc13,,ZTJZVOMEMRNYKF-UHFFFAOYSA-N
BMGC_DG17370,BMG_DG218528,C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O,[C@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(C[C@@H]3O)C)(C(=O)C)O)[H])([H])C[C@@H](C1=CC(C=C2)=O)C)F)C,"InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1",FAOZLTXFLGPHNG-KNAQIMQKSA-N
BMGC_DG17371,BMG_DG218532,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)[18F],n1(c([nH]c(=O)c(c1)C)=O)[C@@H]2O[C@H](CO)[C@H](C2)[18F],"InChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1/i11-1",UXCAQJAQSWSNPQ-ZIVQXEJRSA-N
BMGC_DG17372,BMG_DG218537,,COc1ccc(/C=C\c2cc(cc(c2)OC)OC)cc1,,GDHNBPHYVRHYCC-PLNGDYQASA-N
BMGC_DG17373,BMG_DG218542,CC1=CC=C(C=C1)SC2=CC=CC=C2C3CCNCC3,C1NCCC(c2ccccc2Sc3ccc(C)cc3)C1,"InChI=1S/C18H21NS/c1-14-6-8-16(9-7-14)20-18-5-3-2-4-17(18)15-10-12-19-13-11-15/h2-9,15,19H,10-13H2,1H3",CVASBKDYSQKLSO-UHFFFAOYSA-N
BMGC_DG17374,BMG_DG218547,,,,
BMGC_DG17375,BMG_DG218549,,c1(ccc(cn1)Cl)-c2noc(n2)-c3c(ccs3)Cl,,QLWZGYISUDNRSA-UHFFFAOYSA-N
BMGC_DG17376,BMG_DG218557,CC(C)(CO)C(C(=O)NCCC(=O)O)O,O=C(NCCC(O)=O)C(O)C(C)(C)CO,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)",GHOKWGTUZJEAQD-UHFFFAOYSA-N
BMGC_DG17377,BMG_DG218558,CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)C,[C@]12([C@@]3([C@@](C3)(C(C=C2C(=C[C@@]4([C@@]1(CC[C@]5([C@]4(CC[C@]5(OC(=O)C)C(=O)C)[H])C)[H])[H])Cl)=O)[H])[H])C,"InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1",UWFYSQMTEOIJJG-FDTZYFLXSA-N
BMGC_DG17378,BMG_DG218569,C=CCSS/C=C\CS(=O)CC=C,[S+](CC=C)(C/C=C\SSCC=C)[O-],"InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5-",IXELFRRANAOWSF-ALCCZGGFSA-N
BMGC_DG17379,BMG_DG218574,,P(=O)(Cc1cc(C(F)(F)F)ccc1)(O)O,,TVXYXFHWFHNWTJ-UHFFFAOYSA-N
BMGC_DG17380,BMG_DG218577,,C(c1c2cc(OC)ccc2[nH]c1)[C@@H]3N(CCC3)C,,MKEGUJPBCIXABO-GFCCVEGCSA-N
BMGC_DG17381,BMG_DG218584,C1[C@@H](C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O,c1cc2c(cc1)C[C@@H](c3c(cccc3)N2C(=O)N)O,"InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/t14-/m0/s1",BMPDWHIDQYTSHX-AWEZNQCLSA-N
BMGC_DG17382,BMG_DG218585,,CC(=N)NCCCC[C@H](N)C(=O)Nc1[nH]nnn1,,LGLHLXSNASPEAX-ZETCQYMHSA-N
BMGC_DG17383,BMG_DG218587,,CN(C)CCc1c[nH]c2ccc(-n3cnnc3)cc12,,IGNXHSPBUUSUHB-UHFFFAOYSA-N
BMGC_DG17384,BMG_DG218606,,c1ccc(-c2[nH]c3ccccc3c2C4CCNCC4)cc1,,FWPAVENSJPMGJO-UHFFFAOYSA-N
BMGC_DG17385,BMG_DG218609,CS(=O)(=O)OC[C@@H]([C@H](COS(=O)(=O)C)O)O,S(OC[C@@H]([C@H](COS(C)(=O)=O)O)O)(C)(=O)=O,"InChI=1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1",YCPOZVAOBBQLRI-WDSKDSINSA-N
BMGC_DG17386,BMG_DG218610,CN(C)CC1CCOC1(C2=CC=CC=C2)C3=CC=CC=C3,O1C(C(CC1)CN(C)C)(c2ccccc2)c3ccccc3,"InChI=1S/C19H23NO/c1-20(2)15-18-13-14-21-19(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3",BOTHKNZTGGXFEQ-UHFFFAOYSA-N
BMGC_DG17387,BMG_DG218624,,,,
BMGC_DG17388,BMG_DG218628,C1CN([C@@H]1C(=O)O)CC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N,[C@@H]1(N(CC1)CC[C@H](NCC[C@H](N)C(=O)O)C(=O)O)C(=O)O,"InChI=1S/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1",KRGPXXHMOXVMMM-CIUDSAMLSA-N
BMGC_DG17389,BMG_DG218629,,C(C)(C)c1c(O)c(C(C)C)cc(I)c1,,JMJHJCFWTNRPEI-UHFFFAOYSA-N
BMGC_DG17390,BMG_DG218631,,C1C[C@H]([C@]2(C(N(C(N21)=O)c3ccc(c(c3C)Cl)C#N)=O)[H])O,,KEJORAMIZFOODM-PWSUYJOCSA-N
BMGC_DG17391,BMG_DG218632,,CN[C@@H]1CC[C@@H](c2ccc(c(c2)Cl)Cl)c3ccccc31;N(C)[C@H]1c2c([C@@H](CC1)c3cc(Cl)c(Cl)cc3)cccc2,,VGKDLMBJGBXTGI-YVEFUNNKSA-N
BMGC_DG17392,BMG_DG218636,CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O,,"InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)",OZPFIJIOIVJZMN-UHFFFAOYSA-N
BMGC_DG17393,BMG_DG218661,,C(F)(F)(F)C1C(C(O)=O)=Cc2c(O1)ccc(c2)OC(F)(F)F,,CSOISVJKLBMNCK-UHFFFAOYSA-N
BMGC_DG17394,BMG_DG218664,CC(C)C(=O)OC(C)OC(=O)NCC1(CCCCC1)CC(=O)O,C1C(CC(=O)O)(CNC(=O)OC(OC(C(C)C)=O)C)CCCC1,"InChI=1S/C16H27NO6/c1-11(2)14(20)22-12(3)23-15(21)17-10-16(9-13(18)19)7-5-4-6-8-16/h11-12H,4-10H2,1-3H3,(H,17,21)(H,18,19)",TZDUHAJSIBHXDL-UHFFFAOYSA-N
BMGC_DG17395,BMG_DG218665,CC1CCCN1CCC2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C#N,,"InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3",KFHYZKCRXNRKRC-UHFFFAOYSA-N
BMGC_DG17396,BMG_DG218674,CC1=CC(=O)C2=C(C=C3C(=C2O1)C(=O)C4=C(C3=O)C=C(C=C4O)O)O,,"InChI=1S/C18H10O7/c1-6-2-10(20)15-12(22)5-9-14(18(15)25-6)17(24)13-8(16(9)23)3-7(19)4-11(13)21/h2-5,19,21-22H,1H3",AWDAPFGGFWZKGB-UHFFFAOYSA-N
BMGC_DG17397,BMG_DG218675,,,,
BMGC_DG17398,BMG_DG218676,C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=C3C#N)SCCO)N)C#N,,"InChI=1S/C16H12N4O3S/c17-6-10-14(9-1-2-12-13(5-9)23-8-22-12)11(7-18)16(20-15(10)19)24-4-3-21/h1-2,5,21H,3-4,8H2,(H2,19,20)",KQKVGJJOJHCKQA-UHFFFAOYSA-N
BMGC_DG17399,BMG_DG218677,CC[C@@H](C)NC1=NC(=NC2=C(C(=NN21)C)C3=C(N=C(C=C3)OC)C)C,c1(nc(C)c(cc1)-c2c3n(nc2C)c(nc(n3)C)N[C@@H](CC)C)OC,"InChI=1S/C18H24N6O/c1-7-10(2)19-18-22-13(5)21-17-16(12(4)23-24(17)18)14-8-9-15(25-6)20-11(14)3/h8-10H,7H2,1-6H3,(H,19,21,22)/t10-/m1/s1",LBWQSAZEYIZZCE-SNVBAGLBSA-N
BMGC_DG17400,BMG_DG218683,,c1(c(c(cc(c1)C(/C=C/c2ccc(c(c2)O)OC)=O)OC)OC)OC,,IKMOZUDCUBMIRL-FNORWQNLSA-N
BMGC_DG17401,BMG_DG218689,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCCCO[N+](=O)[O-],[N+]([O-])(=O)OCCCCOC([C@H](c1cc2ccc(cc2cc1)OC)C)=O,"InChI=1S/C18H21NO6/c1-13(18(20)24-9-3-4-10-25-19(21)22)14-5-6-16-12-17(23-2)8-7-15(16)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3/t13-/m0/s1",AKFJWRDCWYYTIG-ZDUSSCGKSA-N
BMGC_DG17402,BMG_DG218691,,c1(cc(ccc1)-c2nc3c(c(n2)N4CCOCC4)oc5c3cccn5)O,,TUVCWJQQGGETHL-UHFFFAOYSA-N
BMGC_DG17403,BMG_DG218693,,c1(ccc(cc1)C#N)-c2ccc(cc2)OCCCN3C[C@@H](CC3)N(C)C,,FXIPXWLVYIHFEP-OAQYLSRUSA-N
BMGC_DG17404,BMG_DG218694,C1CN(CCN1CC2CC3=CC=CC=C3C2)C4=CC5=C(C=C4)OCCO5,,"InChI=1S/C22H26N2O2/c1-2-4-19-14-17(13-18(19)3-1)16-23-7-9-24(10-8-23)20-5-6-21-22(15-20)26-12-11-25-21/h1-6,15,17H,7-14,16H2",CYPJMEGEBKHODC-UHFFFAOYSA-N
BMGC_DG17405,BMG_DG218697,C1C[C@@H]([C@H](C1)O)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O,n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO)O)c3c(c(N[C@@H]4[C@@H](O)CCC4)ncn3)nc1,"InChI=1S/C15H21N5O5/c21-4-9-11(23)12(24)15(25-9)20-6-18-10-13(16-5-17-14(10)20)19-7-2-1-3-8(7)22/h5-9,11-12,15,21-24H,1-4H2,(H,16,17,19)/t7-,8-,9+,11+,12+,15+/m0/s1",GYWXTRVEUURNEW-TVDBPQCTSA-N
BMGC_DG17406,BMG_DG218698,CN(C)CC1=C(C=CC(=C1)S(=O)(=O)N)OC2=CC=C(C=C2)SC,c1(cc(c(cc1)Oc2ccc(cc2)SC)CN(C)C)S(=O)(=O)N,"InChI=1S/C16H20N2O3S2/c1-18(2)11-12-10-15(23(17,19)20)8-9-16(12)21-13-4-6-14(22-3)7-5-13/h4-10H,11H2,1-3H3,(H2,17,19,20)",VCNSPGHSQPMCFF-UHFFFAOYSA-N
BMGC_DG17407,BMG_DG218703,C1CN(CCN1CC2=CC3=C(C=C2)NC(=O)CO3)C4=CC=C(C=C4)Cl,N1c2c(cc(cc2)CN3CCN(CC3)c4ccc(cc4)Cl)OCC1=O,"InChI=1S/C19H20ClN3O2/c20-15-2-4-16(5-3-15)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)25-13-19(24)21-17/h1-6,11H,7-10,12-13H2,(H,21,24)",UFFHNEZNXKJHFB-UHFFFAOYSA-N
BMGC_DG17408,BMG_DG218704,,c1(N=C(N)N)c2c(ccc(c2)-c3cccc(C(=O)O)c3)c(cn1)Cl,,UXNWIRHZMHGOCE-UHFFFAOYSA-N
BMGC_DG17409,BMG_DG218719,,C([C@@H](CC)N(CCOC)CCOC)(=O)Oc1c(cc(cc1OC)C)OC,,GKRFHHRXDUACIN-OAHLLOKOSA-N
BMGC_DG17410,BMG_DG218721,,c1cc(\C=C/2\C(\C(\CNC2)=C\c3ccccc3F)=O)c(F)cc1,,NIVYQYSNRUIFIF-KAVGSWPWSA-N
BMGC_DG17411,BMG_DG218722,,n1(cc(c(c2ccc(c(c12)OC)N3C[C@@](CC3)([C@H](C)N)[H])=O)C(=O)O)C4CC4,,QZNDHGLQSLWHRB-NWDGAFQWSA-N
BMGC_DG17412,BMG_DG218729,,c1cc(ccn1)-c2c([nH]c(c2)-c3ccc(cc3)[S+]([O-])C)-c4ccc(cc4)F,,IADKHNLYTDEPGD-UHFFFAOYSA-N
BMGC_DG17413,BMG_DG218730,,[P-](F)(F)(F)(F)(F)F,,LJQLCJWAZJINEB-UHFFFAOYSA-N
BMGC_DG17414,BMG_DG218731,,[C@]12([C@@]([C@@H](C[C@]2([C@@]1(C(=O)O)F)[H])OCc3cc(c(cc3)Cl)Cl)(C(=O)O)N)[H],,LFAGGDAZZKUVKO-JAGWWQSPSA-N
BMGC_DG17415,BMG_DG218735,C[C@@H](CN1CC[C@]2(C3=C(C[C@@H]1C2(C)C)C(=CC=C3)O)C)OCC4=CC=CC=C4,C[C@@]12c3c(C[C@](N(CC1)C[C@@H](OCc4ccccc4)C)([H])C2(C)C)c(O)ccc3,"InChI=1S/C25H33NO2/c1-18(28-17-19-9-6-5-7-10-19)16-26-14-13-25(4)21-11-8-12-22(27)20(21)15-23(26)24(25,2)3/h5-12,18,23,27H,13-17H2,1-4H3/t18-,23+,25-/m0/s1",VCCBCXVFGHTDQN-UODBTFMRSA-N
BMGC_DG17416,BMG_DG218737,,,,
BMGC_DG17417,BMG_DG218739,CCCC[C@@](C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O)O,C1(C[C@@H](O)[C@@H]([C@H]1CCCCCCC(=O)OC)/C=C/C[C@@](O)(CCCC)C)=O,"InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22+/m1/s1",OJLOPKGSLYJEMD-YCVNZHGXSA-N
BMGC_DG17418,BMG_DG218753,,n1c(nc(nc1-c2c(ccc(c2)Cl)C)N)Nc3ccc(cc3)Br,,NUPGPJBRKLLVNK-UHFFFAOYSA-N
BMGC_DG17419,BMG_DG218754,CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)OC)C(=O)C(=O)N,c1(c(n(Cc2ccccc2)c3c1c(OCC(=O)OC)ccc3)CC)C(C(=O)N)=O,"InChI=1S/C22H22N2O5/c1-3-15-20(21(26)22(23)27)19-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(19)29-13-18(25)28-2/h4-11H,3,12-13H2,1-2H3,(H2,23,27)",VJYDOJXJUCJUHL-UHFFFAOYSA-N
BMGC_DG17420,BMG_DG218755,,C([C@@H]([C@@H](C(=O)NO)CO)c1ccc(cc1)OC)(=O)N[C@@H](C(C)(C)C)C(=O)NC,,IOLRUMINDIUCLJ-RRFJBIMHSA-N
BMGC_DG17421,BMG_DG218757,C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2],,"InChI=1S/C6H12N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-8H,1-4H2;(H,3,4)(H,5,6);/q-2;;+2/t5-,6-;;/m1../s1",DRMCATBEKSVAPL-BNTLRKBRSA-N
BMGC_DG17422,BMG_DG218765,,,,
BMGC_DG17423,BMG_DG218768,,O=C1N(CCCC1)CC(=O)NCCN2CCN(c3c(OC(C)C)cccc3)CC2,,IIRJWNCOXHFIBK-UHFFFAOYSA-N
BMGC_DG17424,BMG_DG218769,,c1(nc2c(c(n1)-c3cc(ccc3)OC)c(c(s2)C(=O)NC(C)(C)C)N)SC,,DVSFSADBOJYPGF-UHFFFAOYSA-N
BMGC_DG17425,BMG_DG218774,,Fc1ccc(cc1)-c2cncc(c2)CN3CCN(CC3)c4c5OCCOc5ccc4,,IUVSEUFHPNITEQ-UHFFFAOYSA-N
BMGC_DG17426,BMG_DG218775,,,,
BMGC_DG17427,BMG_DG218776,CC(=CCC[C@]1([C@@H]2CC[C@H]3CC4=C([C@@]3([C@]2(CC[C@@H]1O)C)C)NC5=CC=CC=C45)C)C,,"InChI=1S/C28H39NO/c1-18(2)9-8-15-26(3)23-13-12-19-17-21-20-10-6-7-11-22(20)29-25(21)28(19,5)27(23,4)16-14-24(26)30/h6-7,9-11,19,23-24,29-30H,8,12-17H2,1-5H3/t19-,23-,24-,26-,27-,28+/m0/s1",XOLHQUYGSUGTQA-DFGZTGKASA-N
BMGC_DG17428,BMG_DG218780,CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl,[C@H]1([C@H]([C@@H]([C@H]([C@H](c2cc(c(cc2)Cl)Cc3ccc(OCC)cc3)O1)O)O)O)CO,"InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1",JVHXJTBJCFBINQ-ADAARDCZSA-N
BMGC_DG17429,BMG_DG218783,,NS(c1c(Cl)ccc(NC(Nc2c(Cl)c(Cl)ccc2)=O)c1O)(=O)=O,,WTLRWOHEKQGKDS-UHFFFAOYSA-N
BMGC_DG17430,BMG_DG218784,C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC=C2)NCCNC[C@@H](C3=CC(=CC=C3)Cl)O,c1cc(cc(c1)-c2cc(ccc2)NCCNC[C@@H](c3cccc(c3)Cl)O)C(O)=O,"InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1",LLDXOPKUNJTIRF-QFIPXVFZSA-N
BMGC_DG17431,BMG_DG218785,,CS(=O)(=O)N(C)[C@@H]1[C@H](C(Oc2c1cc(cc2)OCCCC(F)(F)F)(C)C)O,,SRZRLJWUQFIZRH-LSDHHAIUSA-N
BMGC_DG17432,BMG_DG218786,,C(C[C@@H](C[C@H](/C=C/c1n(c2ccccc2c1-c3ccc(cc3)F)C(C)C)O)O)(=O)O,,FJLGEFLZQAZZCD-FUTHQCHMSA-N
BMGC_DG17433,BMG_DG218787,,CCc1nc2c(c(c1)OCc3ccc(cc3)-c4ccccc4-c5[nH]nnn5)CCCC2,,AWZMTWHHQXOWQR-UHFFFAOYSA-N
BMGC_DG17434,BMG_DG218789,CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br,C([C@@H](NS(=O)(=O)c1ccc(cc1)-c2ccc(cc2)Br)C(C)C)(=O)O,"InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1",GJOCABIDMCKCEG-INIZCTEOSA-N
BMGC_DG17435,BMG_DG218790,,C1(c2c(cccc2)C(c3c1cccc3)=O)(Cc4cc(ncc4)F)Cc5cc(F)ncc5,,MUJBUUDUXGDXLW-UHFFFAOYSA-N
BMGC_DG17436,BMG_DG218799,,CCCC(N1CCn2c3c1cc(C)nc3c(-c4c(Cl)cc(Cl)cc4)n2)CCC,,AKLMUGFDGONMAA-UHFFFAOYSA-N
BMGC_DG17437,BMG_DG218800,,C(=O)(O)[C@H]1CC[C@@H](CC1)CCCCC,,RVLAXPQGTRTHEV-XYPYZODXSA-N
BMGC_DG17438,BMG_DG218801,,Fc1cc2c(C3=CCN(CCCCN4C(=O)c5ccccc5C4=O)CC3)c[nH]c2cc1,,NECJNLXOJRDELU-UHFFFAOYSA-N
BMGC_DG17439,BMG_DG218805,CO[C@@H](CC1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O,C([C@H](Cc1ccc(cc1)OCCCOc2ccc(Oc3ccccc3)cc2)OC)(O)=O,"InChI=1S/C25H26O6/c1-28-24(25(26)27)18-19-8-10-20(11-9-19)29-16-5-17-30-21-12-14-23(15-13-21)31-22-6-3-2-4-7-22/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1",OKJHGOPITGTTIM-DEOSSOPVSA-N
BMGC_DG17440,BMG_DG218806,COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4S3,,"InChI=1S/C24H29N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)",KFMBPIZMZUDONQ-UHFFFAOYSA-N
BMGC_DG17441,BMG_DG218807,,c1(nnc(c2cc(ccc12)C#N)NCc3cc(c(cc3)OC)Cl)N4CCC(CC4)O,,VDXZLVXFVYDBNH-UHFFFAOYSA-N
BMGC_DG17442,BMG_DG218810,,C([C@H](CCCCCN)CP(=O)([C@H](C(C)C)NC(CCc1ccccc1)=O)O)(=O)O,,DEWOTLFUKYSXIE-UYAOXDASSA-N
BMGC_DG17443,BMG_DG218813,C1CN1CCNCCN,C(CN)NCCN1CC1,"InChI=1S/C6H15N3/c7-1-2-8-3-4-9-5-6-9/h8H,1-7H2",XJNAQZHMIAKQOK-UHFFFAOYSA-N
BMGC_DG17444,BMG_DG218814,,Cc1c(C(F)(F)F)cc2N(C(Nc3cnc(OCc4ccccn4)cc3)=O)CCc2c1,,KLAHZRONIHBPPB-UHFFFAOYSA-N
BMGC_DG17445,BMG_DG218826,,N1([C@]2([C@]([C@@H](C1=O)C(C)C)(N(CC2)C(/C=C/CN3CCCCC3)=O)[H])[H])S(=O)(=O)C.Cl,,UFCZUKYPBPXODT-OFTZGUNKSA-N
BMGC_DG17446,BMG_DG218830,CN1C(=NC2=CC=CC=C2C1=O)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4,c1cc2c(n(c(nc2cc1)COc3ccc(cc3)CC4C(NC(S4)=O)=O)C)=O,"InChI=1S/C20H17N3O4S/c1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16/h2-9,16H,10-11H2,1H3,(H,22,24,26)",IETKPTYAGKZLKY-UHFFFAOYSA-N
BMGC_DG17447,BMG_DG218832,C[C@@H](CNS(=O)(=O)C(C)C)C1=CC=C(C=C1)C2=CC=C(C=C2)CCNS(=O)(=O)C,[C@@H](CNS(=O)(=O)C(C)C)(C)c1ccc(cc1)-c2ccc(cc2)CCNS(=O)(=O)C,"InChI=1S/C21H30N2O4S2/c1-16(2)29(26,27)23-15-17(3)19-9-11-21(12-10-19)20-7-5-18(6-8-20)13-14-22-28(4,24)25/h5-12,16-17,22-23H,13-15H2,1-4H3/t17-/m0/s1",ULRDYYKSPCRXAJ-KRWDZBQOSA-N
BMGC_DG17448,BMG_DG218837,,C(c1ccc(cc1)C2=Nc3c(Sc4c2cc5C(CCC(c5c4)(C)C)(C)C)cccc3)(=O)O,,PFGCWQPTOKPRRK-UHFFFAOYSA-N
BMGC_DG17449,BMG_DG218842,,N1([C@@H]([C@H](CCC1)C(=O)NO)C(=O)Nc2ccc(cc2)OCc3cc(nc4ccccc34)C)C,,RJSKOAOWDAMMHR-GMAHTHKFSA-N
BMGC_DG17450,BMG_DG218865,CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)OCC(=O)O)S(=O)(=O)C3=CN=CC=C3,n1cc(ccc1)S(N(Cc2cc(ccc2)OCC(O)=O)Cc3ccc(cc3)C(C)(C)C)(=O)=O,"InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)",WOHRHWDYFNWPNG-UHFFFAOYSA-N
BMGC_DG17451,BMG_DG218867,CC1=C(N=C(O1)C2=CC=CC=C2)COC3=CC=C(C=C3)CO/N=C(\CCC(=O)O)/C4=CC=CC=C4,c1cc(ccc1)/C(=N/OCc2ccc(cc2)OCc3nc(oc3C)-c4ccccc4)/CCC(O)=O,"InChI=1S/C28H26N2O5/c1-20-26(29-28(35-20)23-10-6-3-7-11-23)19-33-24-14-12-21(13-15-24)18-34-30-25(16-17-27(31)32)22-8-4-2-5-9-22/h2-15H,16-19H2,1H3,(H,31,32)/b30-25+",ULVDFHLHKNJICZ-QCWLDUFUSA-N
BMGC_DG17452,BMG_DG218883,,NS(=O)(=O)c1cc(ccc1)CCCCOCCCCCCNC[C@H](O)c2ccc(c(c2)CO)O,,GBTODAKMABNGIJ-VWLOTQADSA-N
BMGC_DG17453,BMG_DG218884,,c1(cc(c(cc1)SCCCOc2ccc3c(coc3c2CCC)-c4ccccc4)Cl)CC(=O)O,,KAPDPGZDHUCILF-UHFFFAOYSA-N
BMGC_DG17454,BMG_DG218888,CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C4=CC5=C(C=C4)C=CN=C5N,,"InChI=1S/C26H22N6O3S/c1-16-14-23(32(31-16)20-11-8-18-12-13-29-25(27)22(18)15-20)26(33)30-19-9-6-17(7-10-19)21-4-2-3-5-24(21)36(28,34)35/h2-15H,1H3,(H2,27,29)(H,30,33)(H2,28,34,35)",AJHNROHOVIQWOE-UHFFFAOYSA-N
BMGC_DG17455,BMG_DG218889,,CO[C@@H](C(N[C@H]1CC[C@@H](OC(C2CCCCC2)=O)CNC1=O)=O)[C@@H]([C@H]([C@@H](/C=C/C(C)(C)C)O)O)O,,XSYJUVKQRPLTAU-BKMGADMVSA-N
BMGC_DG17456,BMG_DG218891,,COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N2[C@@H](CCC2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F,,PNILZVBINXNWHW-FHWLQOOXSA-N
BMGC_DG17457,BMG_DG218894,CC1=CC(=C(C(=N1)SC)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC=C4N3)SC,,"InChI=1S/C23H30N6OS3/c1-16-14-19(31-2)21(22(24-16)32-3)27-20(30)15-29-10-8-28(9-11-29)12-13-33-23-25-17-6-4-5-7-18(17)26-23/h4-7,14H,8-13,15H2,1-3H3,(H,25,26)(H,27,30)",VGGMTOYKEDKFLN-UHFFFAOYSA-N
BMGC_DG17458,BMG_DG218897,C1=CC=C(C=C1)[C@H](CNC2=CC=C(C=C2)CCNC[C@@H](C3=CC(=C(C=C3)O)NC=O)O)O,c1(NC[C@@H](c2ccccc2)O)ccc(cc1)CCNC[C@@H](c3cc(NC=O)c(O)cc3)O,"InChI=1S/C25H29N3O4/c29-17-28-22-14-20(8-11-23(22)30)24(31)15-26-13-12-18-6-9-21(10-7-18)27-16-25(32)19-4-2-1-3-5-19/h1-11,14,17,24-27,30-32H,12-13,15-16H2,(H,28,29)/t24-,25-/m0/s1",BMKINZUHKYLSKI-DQEYMECFSA-N
BMGC_DG17459,BMG_DG218899,COC1=CC=CC2=C1CCC(=O)N2CCCN3CCN(CC3)C4=CC(=CC=C4)Cl,C(CCN1CCN(CC1)c2cc(Cl)ccc2)N3c4c(c(OC)ccc4)CCC3=O,"InChI=1S/C23H28ClN3O2/c1-29-22-8-3-7-21-20(22)9-10-23(28)27(21)12-4-11-25-13-15-26(16-14-25)19-6-2-5-18(24)17-19/h2-3,5-8,17H,4,9-16H2,1H3",TZZGTNZBLPCBIS-UHFFFAOYSA-N
BMGC_DG17460,BMG_DG218904,COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)OC(F)(F)F,,"InChI=1S/C22H25F3N2O7S/c1-32-15-14-27-12-10-21(11-13-27,20(28)26-29)35(30,31)19-8-6-17(7-9-19)33-16-2-4-18(5-3-16)34-22(23,24)25/h2-9,29H,10-15H2,1H3,(H,26,28)",NXUHVWMBPOFLMA-UHFFFAOYSA-N
BMGC_DG17461,BMG_DG218905,,,,
BMGC_DG17462,BMG_DG218912,CCCC1=C(C=CC(=C1OCCCC(=O)O)C(=O)C)OCCCSC2=C(C(=C(C=C2)C(=O)C)O)CCC,c1cc(c(CCC)c(c1C(C)=O)OCCCC(O)=O)OCCCSc2c(CCC)c(O)c(C(C)=O)cc2,"InChI=1S/C29H38O7S/c1-5-9-23-25(14-12-22(20(4)31)29(23)36-16-7-11-27(32)33)35-17-8-18-37-26-15-13-21(19(3)30)28(34)24(26)10-6-2/h12-15,34H,5-11,16-18H2,1-4H3,(H,32,33)",KPWYNAGOBXLMSE-UHFFFAOYSA-N
BMGC_DG17463,BMG_DG218921,,C(c1cc(ccc1)/C=C/c2c(cc(cc2)OCc3c(noc3C(C)C)-c4c(cccc4Cl)Cl)Cl)(=O)O,,BYTNEISLBIENSA-MDZDMXLPSA-N
BMGC_DG17464,BMG_DG218922,C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)N)/C)OC)OC(=O)N)\C)C)O)OC,C/C/1=C\[C@H](C)[C@H]([C@@H](OC)C[C@H](C)CC=2C(=O)C(NC(=O)/C(/C)=C/C=C\[C@@H]([C@H]1OC(=O)N)OC)=CC(C2N)=O)O,"InChI=1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-9,12-14,16,21-22,24,26,33H,10-11,29H2,1-6H3,(H2,30,36)(H,31,35)/b9-7-,15-8+,17-12+/t14-,16+,21+,22+,24-,26+/m1/s1",XYFFWTYOFPSZRM-TWNAANEASA-N
BMGC_DG17465,BMG_DG218925,CC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCC4=CC(=C(C=C4)OC)OC)C,c1c(cccc1)C(c2ccccc2)([C@H](Oc3nc(C)cc(C)n3)C(O)=O)OCCc4ccc(OC)c(c4)OC,"InChI=1S/C31H32N2O6/c1-21-19-22(2)33-30(32-21)39-28(29(34)35)31(24-11-7-5-8-12-24,25-13-9-6-10-14-25)38-18-17-23-15-16-26(36-3)27(20-23)37-4/h5-16,19-20,28H,17-18H2,1-4H3,(H,34,35)/t28-/m1/s1",CLSJNXXMIVKULC-MUUNZHRXSA-N
BMGC_DG17466,BMG_DG218927,,N(C(=S)NCCCc1cnc[nH]1)CCCN(Cc2cc(c(cc2)Cl)Cl)c3ccc(cn3)Br,,UREJDUPKGMFJRU-UHFFFAOYSA-N
BMGC_DG17467,BMG_DG218931,,O=S(=O)(c1ccc(CC2CCN(C3CCN(C(=O)c4cccc(C)c4N)CC3)CC2)cc1)c5cccc(Cl)c5,,VMJKUCKTXMESQR-UHFFFAOYSA-N
BMGC_DG17468,BMG_DG218935,,[C@]1(c2cc(ccc2)OCC)(N3CCN(CC3)c4ccccc4)CC[C@@H](CC1)C,,HKVWLCPNTJYNBO-IVHGUIJPSA-N
BMGC_DG17469,BMG_DG218938,,c12n(c(=O)c3c(c1-c4ccc(cc4)C)cccn3)CC[C@H](CN(C2=O)Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)C,,LDXQLWNPGRANTO-GOSISDBHSA-N
BMGC_DG17470,BMG_DG218945,C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,N1(C(=O)[C@H](CC[C@@H](c2ccc(F)cc2)O)[C@H]1c3ccc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc3)c5ccc(F)cc5,"InChI=1S/C30H29F2NO9/c31-17-5-1-15(2-6-17)22(34)14-13-21-23(33(28(21)38)19-9-7-18(32)8-10-19)16-3-11-20(12-4-16)41-30-26(37)24(35)25(36)27(42-30)29(39)40/h1-12,21-27,30,34-37H,13-14H2,(H,39,40)/t21-,22+,23-,24+,25+,26-,27+,30-/m1/s1",UOFYCFMTERCNEW-ADEYADIWSA-N
BMGC_DG17471,BMG_DG218946,,C(c1cc(ccc1)C[C@H]2C(=CCCC2)c3oc(c(n3)-c4ccccc4)-c5ccccc5)(=O)NS(=O)(=O)Cc6ccccc6,,FQRVOFIZNRSQSH-PMERELPUSA-N
BMGC_DG17472,BMG_DG218952,CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC(=CC=C2)C(=N)N)NS(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C,c1cc(cc(c1)C(=N)N)C[C@H](NS(c2c(cc(cc2C(C)C)C(C)C)C(C)C)(=O)=O)C(=O)N3CCN(CC3)C(=O)OCC,"InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1",ISJSHQTWOHGCMM-NDEPHWFRSA-N
BMGC_DG17473,BMG_DG218954,COC1=C(C=C(C=C1)C[C@H](C2=CC(=C(C(=C2)OC)OC)OC)O)O,c1(c(cc(cc1OC)[C@@H](Cc2cc(O)c(cc2)OC)O)OC)OC,"InChI=1S/C18H22O6/c1-21-15-6-5-11(8-14(15)20)7-13(19)12-9-16(22-2)18(24-4)17(10-12)23-3/h5-6,8-10,13,19-20H,7H2,1-4H3/t13-/m1/s1",LGZKGOGODCLQHG-CYBMUJFWSA-N
BMGC_DG17474,BMG_DG218956,CN(C)C(=O)[C@@H]1C[C@H](CN1[C@]2(C3=C(C=CC(=C3)Cl)N(C2=O)S(=O)(=O)C4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5OC)O,c1cc(S(=O)(=O)N2c3ccc(cc3[C@@](c4c(cccc4)OC)(C2=O)N5[C@@H](C[C@H](C5)O)C(=O)N(C)C)Cl)c(OC)cc1OC,"InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1",NJXZWIIMWNEOGJ-WEWKHQNJSA-N
BMGC_DG17475,BMG_DG218957,,Cc1cccc(C)c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N3CSC(C)(C)[C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O,,KKTYZYHUPKXLPL-RIQJEONASA-N
BMGC_DG17476,BMG_DG218961,CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)F,n1(nc(cc1C(=O)Nc2c(cc(cc2)-c3c(cccc3)S(=O)(=O)C)F)C(F)(F)F)-c4cc(ccc4)CN,"InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)",ZLUOAFAJSUPHOG-UHFFFAOYSA-N
BMGC_DG17477,BMG_DG218965,,CCOP(=O)(Cc1ccc(cc1)NC(=O)[C@@](C)(NC[C@H](O)c2cc(c(cc2)O)NS(C)(=O)=O)c3ccc(cc3)OC)OCC,,CDJVEGFGUHCFGR-JDXGNMNLSA-N
BMGC_DG17478,BMG_DG218968,,c1(c(cccc1)S(=O)(=O)Nc2c(c(no2)C)C)-c3c(cc(cc3)CN4C(=NC5(C4=O)CCCC5)CCCC)CN6C(C(CC6)(C)C)=O,,NBDFXMDYBLSGLX-UHFFFAOYSA-N
BMGC_DG17479,BMG_DG218974,CCC1=NN(C2=C1CCN3C2=NN=C3C4=CC=CS4)C5CCCC5,c12-c3n(c(-c4sccc4)nn3)CCc1c(CC)nn2C5CCCC5,"InChI=1S/C18H21N5S/c1-2-14-13-9-10-22-17(15-8-5-11-24-15)19-20-18(22)16(13)23(21-14)12-6-3-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3",DHCOPPHTVOXDKU-UHFFFAOYSA-N
BMGC_DG17480,BMG_DG218978,,,,
BMGC_DG17481,BMG_DG218985,,[C@H]([C@H]([C@@]1([H])OC(=O)N(CC)C1)O)(NC([C@@H](NC([C@@H](CC(=O)N(C)CCOCOCCOC)Cc2ccccc2)=O)Cc3nc[nH]c3)=O)CC4CCCCC4,,JZRFAIHFMIECQR-AJISXOSTSA-N
BMGC_DG17482,BMG_DG218990,CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)N,,"InChI=1S/C37H67N9O11/c1-12-19(7)28(43-25(48)15-39-32(51)22(10)41-31(50)21(9)38)34(53)40-16-26(49)44-29(20(8)13-2)35(54)42-24(14-17(3)4)33(52)46-30(23(11)47)36(55)45-27(18(5)6)37(56)57/h17-24,27-30,47H,12-16,38H2,1-11H3,(H,39,51)(H,40,53)(H,41,50)(H,42,54)(H,43,48)(H,44,49)(H,45,55)(H,46,52)(H,56,57)/t19-,20-,21-,22-,23+,24-,27-,28-,29-,30-/m0/s1",NEHKZPHIKKEMAZ-ZFVKSOIMSA-N
BMGC_DG17483,BMG_DG218998,C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O,,"InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21?,22-,23+,26+,27-,28-,29+,30+/m0/s1",MPDGHEJMBKOTSU-AWOGJAJBSA-N
BMGC_DG17484,BMG_DG219009,CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)C,C[C@]12[C@@]3(CC[C@]([H])([C@](C)(CCC=C(C)C)O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)O4)[C@@]3([H])[C@H](O)C[C@]1([H])[C@]6(CC[C@H](O[C@]7([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@]8([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)C(C)(C)[C@]6([H])CC2)C)C,"InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1",GZYPWOGIYAIIPV-JBDTYSNRSA-N
BMGC_DG17485,BMG_DG219014,CC(C)[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)CC5=CC=CC=C5)C)CCSCC(=O)NC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N)N,[C@@H]1(C(N[C@H](C(N([C@H](C(N[C@H](C(N[C@@H](C(N[C@H](C(N1)=O)CCCCN)=O)Cc2c3c([nH]c2)cccc3)=O)Cc4ccc(cc4)O)=O)Cc5ccccc5)C)=O)CCSCC(NC[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N)=O)CCCCN)=O)CS)=O)CCCCN)=O)N)=O)=O)C(C)C,"InChI=1S/C65H96N16O12S2/c1-38(2)55-64(92)76-49(26-30-95-37-54(83)72-35-44(69)57(85)74-47(20-10-13-28-67)58(86)79-52(36-94)62(90)73-46(56(70)84)19-9-12-27-66)65(93)81(3)53(32-39-15-5-4-6-16-39)63(91)78-50(31-40-22-24-42(82)25-23-40)60(88)77-51(33-41-34-71-45-18-8-7-17-43(41)45)61(89)75-48(59(87)80-55)21-11-14-29-68/h4-8,15-18,22-25,34,38,44,46-53,55,71,82,94H,9-14,19-21,26-33,35-37,66-69H2,1-3H3,(H2,70,84)(H,72,83)(H,73,90)(H,74,85)(H,75,89)(H,76,92)(H,77,88)(H,78,91)(H,79,86)(H,80,87)/t44-,46-,47-,48-,49-,50-,51+,52-,53-,55-/m0/s1",XXXSJQLZVNKRKX-YQRDHHIGSA-N
BMGC_DG17486,BMG_DG219039,C[C@]12CC[C@@H]3[C@H]4CC[C@@H](CC4=CC[C@H]3[C@@H]1CC[C@@H]2O)O,C1[C@@H](CC=2[C@](C1)([C@@]3([C@@](CC2)([C@]4([C@](CC3)([C@H](CC4)O)C)[H])[H])[H])[H])O,"InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,12-17,19-20H,3-10H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1",VVUQRXPUVKXAIO-XFUVECHXSA-N
BMGC_DG17487,BMG_DG219048,,c1(cncc(n1)N2CCNCC2)OCc3cc(ccc3)Cl,,PCWGGOVOEWHPMG-UHFFFAOYSA-N
BMGC_DG17488,BMG_DG219054,C1C(CN1CCCOCCC2=CC3=C(C=C2)SC=C3)O,N1(CC(C1)O)CCCOCCc2cc3c(scc3)cc2,"InChI=1S/C16H21NO2S/c18-15-11-17(12-15)6-1-7-19-8-4-13-2-3-16-14(10-13)5-9-20-16/h2-3,5,9-10,15,18H,1,4,6-8,11-12H2",HQNACSFBDBYLJP-UHFFFAOYSA-N
BMGC_DG17489,BMG_DG219055,CC(C)N(C)C1=NC2=C(N=CN=C2N1C)NC3CC4CC3CC4O,,"InChI=1S/C17H26N6O/c1-9(2)22(3)17-21-14-15(18-8-19-16(14)23(17)4)20-12-6-11-5-10(12)7-13(11)24/h8-13,24H,5-7H2,1-4H3,(H,18,19,20)",FTVZUYADPTUEKI-UHFFFAOYSA-N
BMGC_DG17490,BMG_DG219062,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,[C@]12([C@](CC[C@@]1([H])[C@@]3(CC[C@]4([C@@](CC[C@@H](O)C4)(C)[C@@]3([H])CC2)[H])[H])([C@@H](CCC(=O)O)C)[H])C,"InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1",SMEROWZSTRWXGI-HVATVPOCSA-N
BMGC_DG17491,BMG_DG219070,,C(COCCCc1ccccc1)CN2CCCCC2,,UYLNHGRGPLPMFD-UHFFFAOYSA-N
BMGC_DG17492,BMG_DG219074,,O=C1Nc2ccc(S(=O)(=O)N3CCC3)cc2C1=O,,VEHTUFDNCGHBFH-UHFFFAOYSA-N
BMGC_DG17493,BMG_DG219076,,C(c1cc(c(cc1)F)F)(=O)Nc2cnc(cc2)Cl,,GDGUOCFTHNGPBK-UHFFFAOYSA-N
BMGC_DG17494,BMG_DG219077,,COc1cc2cc(-c3ccsc3)cnc2cc1OC,,KGGRQYJJHXVWSI-UHFFFAOYSA-N
BMGC_DG17495,BMG_DG219081,C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F,NC(=O)Nc1c(cc(s1)-c2ccc(cc2)F)C(N)=O,"InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)",SAYGKHKXGCPTLX-UHFFFAOYSA-N
BMGC_DG17496,BMG_DG219085,CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24,,"InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3",VSWBSWWIRNCQIJ-UHFFFAOYSA-N
BMGC_DG17497,BMG_DG219086,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34,[C@]12([C@]([C@]3([C@]([C@@]4(C(=CC(=O)CC4)CC3)[H])([H])CC1)[H])(CC[C@@H]2O)[H])C,"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1",NPAGDVCDWIYMMC-IZPLOLCNSA-N
BMGC_DG17498,BMG_DG219091,,s1c(nc2c1cc3CC(Cc3c2)N(CCC)CCC)N,,REAPOTFJKWYQFW-UHFFFAOYSA-N
BMGC_DG17499,BMG_DG219093,C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCC2=CC=CC=C21,C(/C=C(/C=C/C=C(/C)\C=C/1\c2ccccc2CCC1)\C)(=O)O,"InChI=1S/C20H22O2/c1-15(7-5-8-16(2)14-20(21)22)13-18-11-6-10-17-9-3-4-12-19(17)18/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,22)/b8-5+,15-7-,16-14+,18-13+",PPGNMFUMZSAZCW-VOYUZAMQSA-N
BMGC_DG17500,BMG_DG219095,C1CNCCC1=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3,C1C(=O)c2sccc2C(=C3CCNCC3)c4ccccc41,"InChI=1S/C18H17NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,19H,5-6,8-9,11H2",IYSYPCSSDZBWHN-UHFFFAOYSA-N
BMGC_DG17501,BMG_DG219096,,N(CCC)(CCC)[C@H]1Cc2c3c([nH]c(C#N)c3)ccc2CC1,,WDDZPZKGLZNGEH-MRXNPFEDSA-N
BMGC_DG17502,BMG_DG219099,C1C2=C(C=CC(=C2Cl)Cl)NC(=N1)N,N1C(N)=Nc2c(C1)c(c(cc2)Cl)Cl,"InChI=1S/C8H7Cl2N3/c9-5-1-2-6-4(7(5)10)3-12-8(11)13-6/h1-2H,3H2,(H3,11,12,13)",VBKOTIVQMCTTAQ-UHFFFAOYSA-N
BMGC_DG17503,BMG_DG219108,C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].[Zn+2],C([O-])(=O)c1ncccc1.[Zn+2].C([O-])(=O)c1ncccc1,"InChI=1S/2C6H5NO2.Zn/c2*8-6(9)5-3-1-2-4-7-5;/h2*1-4H,(H,8,9);/q;;+2/p-2",NHVUUBRKFZWXRN-UHFFFAOYSA-L
BMGC_DG17504,BMG_DG219110,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34CC#C,[C@]12(C(=CC(=O)CC1)CC[C@]3([C@@]4(CCC([C@]4(CC[C@]23[H])C)=O)[H])[H])CC#C,"InChI=1S/C21H26O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h1,13,16-18H,4-12H2,2H3/t16-,17-,18-,20-,21-/m0/s1",JKPDEYAOCSQBSZ-OEUJLIAZSA-N
BMGC_DG17505,BMG_DG219113,C1=CC(=CC(=C1)O)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)O,Oc1cc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)ccc1,"InChI=1S/C16H13FN4O2/c17-14-9-18-16(20-11-4-2-6-13(23)8-11)21-15(14)19-10-3-1-5-12(22)7-10/h1-9,22-23H,(H2,18,19,20,21)",TVKGTSHBQZEFEE-UHFFFAOYSA-N
BMGC_DG17506,BMG_DG219127,C1C[C@H](O[C@@H]1COC2=CC=C(C=C2)F)C#CCCN(C(=O)N)O,C(N(O)CCC#C[C@H]1O[C@H](COc2ccc(cc2)F)CC1)(=O)N,"InChI=1S/C16H19FN2O4/c17-12-4-6-13(7-5-12)22-11-15-9-8-14(23-15)3-1-2-10-19(21)16(18)20/h4-7,14-15,21H,2,8-11H2,(H2,18,20)/t14-,15+/m1/s1",YANONWCPCKIWEC-CABCVRRESA-N
BMGC_DG17507,BMG_DG219132,,O=C1Cc2ccccc2N1C3CCN(C4CCCCCCC4)CC3,,KQVCYNWOQKXISA-UHFFFAOYSA-N
BMGC_DG17508,BMG_DG219153,,C(=O)(c1cc2cc(oc2cc1)CCN3[C@@H](CCC3)C)c4ccc(cc4)F,,VGSYEFOBFMUWGO-OAHLLOKOSA-N
BMGC_DG17509,BMG_DG219154,CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC(=C)[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C,[C@@]12([C@]3([C@@]([C@](C(C)=O)(O)C(C3)=C)(CC[C@@]1([C@@]4(C(=CC(=O)CC4)C(=C2)C)C)[H])C)[H])[H],"InChI=1S/C23H30O3/c1-13-10-17-18(21(4)8-6-16(25)12-19(13)21)7-9-22(5)20(17)11-14(2)23(22,26)15(3)24/h10,12,17-18,20,26H,2,6-9,11H2,1,3-5H3/t17-,18+,20+,21-,22+,23+/m1/s1",OKHAOBQKCCIRLO-IBVJIVQJSA-N
BMGC_DG17510,BMG_DG219155,,c12c(ccs1)c(ccc2)CC(=O)N([C@@]3([C@H](CCCC3)N4CCCC4)[H])C,,SYHJZCCNQDFHJQ-OALUTQOASA-N
BMGC_DG17511,BMG_DG219159,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCCCOC,[O-][S@+](Cc1nccc(OCCCOC)c1C)c2nc3ccccc3[nH]2,"InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/t25-/m1/s1",YREYEVIYCVEVJK-RUZDIDTESA-N
BMGC_DG17512,BMG_DG219160,C[C@H](C(=O)N1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)C3CC3)N,C([C@@H](C)N)(=O)N1CCN(CC1)CCCOc2ccc(cc2)C(=O)C3CC3,"InChI=1S/C20H29N3O3/c1-15(21)20(25)23-12-10-22(11-13-23)9-2-14-26-18-7-5-17(6-8-18)19(24)16-3-4-16/h5-8,15-16H,2-4,9-14,21H2,1H3/t15-/m1/s1",KPXVCGPCRXEDLT-OAHLLOKOSA-N
BMGC_DG17513,BMG_DG219164,,c12nc(cc(n1cc(cc2C(C)Nc3ccccc3)C)=O)N4CCOCC4,,CPRAGQJXBLMUEL-UHFFFAOYSA-N
BMGC_DG17514,BMG_DG219170,,C(C(C)(C)NS(=O)(=O)c1ccc(cc1)Oc2ccc(cc2)F)(=O)NO,,QCOQJYRPDUMCNP-UHFFFAOYSA-N
BMGC_DG17515,BMG_DG219171,COCN1C(=O)C(C(=O)N(C1=O)COC)(C2=CC=CC=C2)C3=CC=CC=C3,C1(c2ccccc2)(C(=O)N(COC)C(=O)N(COC)C1=O)c3ccccc3,"InChI=1S/C20H20N2O5/c1-26-13-21-17(23)20(15-9-5-3-6-10-15,16-11-7-4-8-12-16)18(24)22(14-27-2)19(21)25/h3-12H,13-14H2,1-2H3",RRFBTKHQZRCRSS-UHFFFAOYSA-N
BMGC_DG17516,BMG_DG219172,COC1=C(C=C(C=C1)CCN2CCN(CC2)CCCC3=CC=CC=C3)OC,c1cc(ccc1)CCCN2CCN(CC2)CCc3ccc(c(c3)OC)OC,"InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3",UVSWWUWQVAQPJR-UHFFFAOYSA-N
BMGC_DG17517,BMG_DG219178,CCN1CCC[C@H]1CNC(=O)C2=C(C(=CC(=C2)Br)OC)OC,C(c1c(c(cc(c1)Br)OC)OC)(=O)NC[C@H]2N(CCC2)CC,"InChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1",QAECXZXKVURFMR-LBPRGKRZSA-N
BMGC_DG17518,BMG_DG219181,,C(c1ccc(cc1)-c2[nH]c(cc2)-c3nc4C(CCC(c4nc3)(C)C)(C)C)(=O)O,,RREMNJZTZUKGKQ-UHFFFAOYSA-N
BMGC_DG17519,BMG_DG219186,,CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]4(C)CCN(C)[C@@]4(N3C)[H])cc1,,NKJRRVBTMYRXRB-GGAORHGYSA-N
BMGC_DG17520,BMG_DG219188,CC(C)C(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)OCC2=CC=CC=C2,,"InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)",NGBKFLTYGSREKK-UHFFFAOYSA-N
BMGC_DG17521,BMG_DG219199,CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC,,"InChI=1S/C21H31N3O4/c1-5-9-16(20(26)24-28)17(12-14(2)3)19(25)23-18(21(27)22-4)13-15-10-7-6-8-11-15/h5-8,10-11,14,16-18,28H,1,9,12-13H2,2-4H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/m0/s1",GKHRDWHFKKUYAX-KSZLIROESA-N
BMGC_DG17522,BMG_DG219201,CCN1C(=NC=N1)COC2=NN3C(=NN=C3C4=CC=CC=C4F)C=C2C(C)(C)C,n12c(nnc1cc(c(n2)OCc3ncnn3CC)C(C)(C)C)-c4c(F)cccc4,"InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3",QKIWQBLNTSQOLY-UHFFFAOYSA-N
BMGC_DG17523,BMG_DG219204,C1=CC(=CC=C1CO)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F,c1(ccc(cc1)-n2nc(cc2-c3ccc(cc3)CO)C(F)(F)F)S(=O)(=O)N,"InChI=1S/C17H14F3N3O3S/c18-17(19,20)16-9-15(12-3-1-11(10-24)2-4-12)23(22-16)13-5-7-14(8-6-13)27(21,25)26/h1-9,24H,10H2,(H2,21,25,26)",ICRSYPPLGADZKA-UHFFFAOYSA-N
BMGC_DG17524,BMG_DG219205,,n1c(n(c(c2c(cccc12)C)=O)-c3c(cccc3)C)Cn4cnc5c(ncnc45)N,,GNWHRHGTIBRNSM-UHFFFAOYSA-N
BMGC_DG17525,BMG_DG219208,CC(C)(C)C1=CC2=NN=C(N2N=C1OCC3=NC=NN3C)C4=C(C=CC(=C4)F)F,c12cc(c(nn1c(nn2)-c3c(ccc(c3)F)F)OCc4ncnn4C)C(C)(C)C,"InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3",BQDUNOMMYOKHEP-UHFFFAOYSA-N
BMGC_DG17526,BMG_DG219217,,O1[C@@]2([H])C[C@]34[C@@H]5OC(=O)[C@]3(O[C@]6([H])OC(=O)[C@H](O)[C@]46[C@H](C(C)(C)C)C5)[C@@]2(O)[C@H](C)C1=O,,FPUXKXIZEIDQKW-VKMVSBOZSA-N
BMGC_DG17527,BMG_DG219220,,,,
BMGC_DG17528,BMG_DG219221,,C1Cc2c([C@@H](O1)CCN3CCN(CC3)c4ccc(cc4)OC)ccc(c2)C(=O)NC,,UDLSEQDYARNKTL-QHCPKHFHSA-N
BMGC_DG17529,BMG_DG219222,,n12c(nc(nc1NC(COC)COC)C)c(c(n2)C)-c3c(cc(cc3)Cl)Cl,,MDWRPTOUDPFXKK-UHFFFAOYSA-N
BMGC_DG17530,BMG_DG219227,,c12c(c3cc(OC)ccc3sc1c(CNC=O)ccc2NCCN(CC)CC)=O,,GWLFIMOOGVXSMZ-UHFFFAOYSA-N
BMGC_DG17531,BMG_DG219233,C1=CC(=CN=C1)C(=O)[O-].C1=CC(=CN=C1)C(=O)[O-].C1=CC(=CN=C1)C(=O)[O-].[Cr+3],[Cr+3].c1ccc(C(=O)[O-])cn1.c1ccc(C(=O)[O-])cn1.c1ccc(C(=O)[O-])cn1,"InChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-2-1-3-7-4-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3",MSPQQAUTCRWLGR-UHFFFAOYSA-K
BMGC_DG17532,BMG_DG219234,,c12OCCCC[C@H]([C@H](C(N[C@@H](Cc(cc1)cc2)C(=O)NC)=O)CC(C)C)C(=O)NO,,BJOZETKUSDMMAN-QRVBRYPASA-N
BMGC_DG17533,BMG_DG219237,C1=CC(=CC=C1CCOC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl,OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2cnc3c(N)nc(nc23)OCCc4ccc(cc4)Cl,"InChI=1S/C18H20ClN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1",WUCQGGOGHZRELS-LSCFUAHRSA-N
BMGC_DG17534,BMG_DG219238,,COC(=O)N[C@@H](C(C)C)C(=O)N1[C@H](C(N[C@H](C(C(F)(F)F)=O)C(C)C)=O)CCC1,,ZYLBZJKJNAYAFU-AVGNSLFASA-N
BMGC_DG17535,BMG_DG219241,,C(=O)([C@H]1[C@H](C[C@H]2N(C)[C@@H]1CC2)c3ccc(I)cc3)N4CCCC4,,HPQILAIJSLHQQC-MLHJIOFPSA-N
BMGC_DG17536,BMG_DG219242,CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4,S(Nc1c(nc(cn1)C)OC)(c2c(nccc2)-c3ccc(-c4nnco4)cc3)(=O)=O,"InChI=1S/C19H16N6O4S/c1-12-10-21-17(19(23-12)28-2)25-30(26,27)15-4-3-9-20-16(15)13-5-7-14(8-6-13)18-24-22-11-29-18/h3-11H,1-2H3,(H,21,25)",FJHHZXWJVIEFGJ-UHFFFAOYSA-N
BMGC_DG17537,BMG_DG219246,C1CC(CCC1CCN2CCC3=C(C2)C=C(C=C3)C#N)NC(=O)C4=CC5=CC=CC=C5N4,,"InChI=1S/C27H30N4O/c28-17-20-5-8-21-12-14-31(18-23(21)15-20)13-11-19-6-9-24(10-7-19)29-27(32)26-16-22-3-1-2-4-25(22)30-26/h1-5,8,15-16,19,24,30H,6-7,9-14,18H2,(H,29,32)",JGLGOAQPUQITLD-UHFFFAOYSA-N
BMGC_DG17538,BMG_DG219247,,c1(c2c(cc3c1CCC3)CCC2)NC(NS(c4cc(C(C)(C)O)co4)(=O)=O)=O,,HUUSXLKCTQDPGL-UHFFFAOYSA-N
BMGC_DG17539,BMG_DG219249,C1CN(C[C@@H]1NC(=O)NC2=CC=CC=C2Br)C3=NC=C(C=C3)C(F)(F)F,N(C(=O)N[C@H]1CN(CC1)c2ccc(cn2)C(F)(F)F)c3c(cccc3)Br,"InChI=1S/C17H16BrF3N4O/c18-13-3-1-2-4-14(13)24-16(26)23-12-7-8-25(10-12)15-6-5-11(9-22-15)17(19,20)21/h1-6,9,12H,7-8,10H2,(H2,23,24,26)/t12-/m1/s1",JYILLRHXRVTRSH-GFCCVEGCSA-N
BMGC_DG17540,BMG_DG219263,CCCN1C(=C(C(=N1)C(C)(C)C)C(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4,,"InChI=1S/C25H28N6O2/c1-5-14-31-20(21(24(32)33)22(28-31)25(2,3)4)15-16-10-12-17(13-11-16)18-8-6-7-9-19(18)23-26-29-30-27-23/h6-13H,5,14-15H2,1-4H3,(H,32,33)(H,26,27,29,30)",BQHRGPUDARSBJA-UHFFFAOYSA-N
BMGC_DG17541,BMG_DG219265,,c1c(cc2c(c1)n(c(c2CCN3CCOCC3)C)C(c4cccc(c4Cl)Cl)=O)OC,,FSFZRNZSZYDVLI-UHFFFAOYSA-N
BMGC_DG17542,BMG_DG219266,C1C[C@@](CC2=C1C(=CC=C2)OCC(=O)O)(COC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)O,N(c1ccccc1)(C(OC[C@@]2(Cc3c(CC2)c(ccc3)OCC(O)=O)O)=O)c4ccccc4,"InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1",UZJAIYJXBYWENR-AREMUKBSSA-N
BMGC_DG17543,BMG_DG219268,C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/C3=CC=C(S3)Cl,C1COCCN1C(=O)[C@H](C)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(s3)Cl,"InChI=1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1",ACEFOQMQINFMRW-DYCFVMESSA-N
BMGC_DG17544,BMG_DG219275,CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl,c1(c(cc2c(ccnc2c1)Oc3ccc(NC(Nc4noc(c4)C)=O)c(Cl)c3)OC)OC,"InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28)",SPMVMDHWKHCIDT-UHFFFAOYSA-N
BMGC_DG17545,BMG_DG219276,,C(CCCN1CCC(=CC1)c2ccc(Cl)cc2)C34c5c(NC3=O)ccc(Cl)c5CCC4,,SBTRHJHOLCAPFT-UHFFFAOYSA-N
BMGC_DG17546,BMG_DG219279,,C(/C=C/c1cc(c(cc1)Sc2cc3OCCOc3cc2)Cl)(=O)N4CCN(CC4)C(=O)C,,PZJWSJORJOUILO-XVNBXDOJSA-N
BMGC_DG17547,BMG_DG219281,,c1(ccc2[C@]3(CC[C@@]4(C(=CC[C@]4([C@@]3(CCc2c1)[H])[H])C(=O)N(C(C)C)C(C)C)C)[H])OS(=O)(=O)N,,OCJKMKKDAMUFAY-APDHKMKFSA-N
BMGC_DG17548,BMG_DG219285,C1CN(CCN1CCN2C3=C(C=N2)C4=NC(=NN4C(=N3)N)C5=CC=CO5)C6=C(C=C(C=C6)F)F,,"InChI=1S/C22H21F2N9O/c23-14-3-4-17(16(24)12-14)31-8-5-30(6-9-31)7-10-32-20-15(13-26-32)21-27-19(18-2-1-11-34-18)29-33(21)22(25)28-20/h1-4,11-13H,5-10H2,(H2,25,28)",JZAMQDDHRXHDFR-UHFFFAOYSA-N
BMGC_DG17549,BMG_DG219286,C[C@@]12[C@@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)O,,"InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27-/m1/s1",KOZFSFOOLUUIGY-BLIZRMSTSA-N
BMGC_DG17550,BMG_DG219289,C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=O)N(C2=O)CC4=CN=CC=C4)CCC5=C3C=CC(=C5)OS(=O)(=O)N,,"InChI=1S/C24H27N3O5S/c1-24-9-8-19-18-7-5-17(32-33(25,30)31)11-16(18)4-6-20(19)21(24)12-22(28)27(23(24)29)14-15-3-2-10-26-13-15/h2-3,5,7,10-11,13,19-21H,4,6,8-9,12,14H2,1H3,(H2,25,30,31)/t19-,20-,21+,24+/m1/s1",LSJKARAMQNGZDF-YOEKFXIASA-N
BMGC_DG17551,BMG_DG219298,COC1=C(C(=CC=C1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3=C(C=CC=C3Cl)Cl,COc1cccc(OC)c1-c2ccc(C[C@@H](C(=O)O)NC(c3c(Cl)cccc3Cl)=O)cc2,"InChI=1S/C24H21Cl2NO5/c1-31-19-7-4-8-20(32-2)21(19)15-11-9-14(10-12-15)13-18(24(29)30)27-23(28)22-16(25)5-3-6-17(22)26/h3-12,18H,13H2,1-2H3,(H,27,28)(H,29,30)/t18-/m0/s1",DRSJLVGDSNWQBI-SFHVURJKSA-N
BMGC_DG17552,BMG_DG219299,CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC=C3O)NC(=O)C4=CC=C(C=C4)OC,c1cc(ccc1C(Nc2cccc(O)c2NC(c3ccc(cc3)N4CCN(CCC4)C)=O)=O)OC,"InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)",IJNIQYINMSGIPS-UHFFFAOYSA-N
BMGC_DG17553,BMG_DG219300,,N1=C(C(=O)c2c1cccc2)c3ccccc3,,HWNZWDIFDUQEEC-UHFFFAOYSA-N
BMGC_DG17554,BMG_DG219303,CC1=CN=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CC=NC=C3)OC)OC4=CC=CC=C4OC,O=S(=O)(c1ncc(C)cc1)Nc2c(c(nc(n2)-c3ccncc3)OC)Oc4ccccc4OC,"InChI=1S/C23H21N5O5S/c1-15-8-9-19(25-14-15)34(29,30)28-22-20(33-18-7-5-4-6-17(18)31-2)23(32-3)27-21(26-22)16-10-12-24-13-11-16/h4-14H,1-3H3,(H,26,27,28)",YBWLTKFZAOSWSM-UHFFFAOYSA-N
BMGC_DG17555,BMG_DG219304,CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O,c12c(c(=O)n(C)c(n1C)=O)n(cn2)CC(CN(CCO)C)O,"InChI=1S/C13H21N5O4/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2/h8-9,19-20H,4-7H2,1-3H3",DSFGXPJYDCSWTA-UHFFFAOYSA-N
BMGC_DG17556,BMG_DG219306,,[C@@H](N[C@H](C(NCC#N)=O)CC(C)C)(C(F)(F)F)c1ccc(cc1)-c2ccc(cc2)S(C)(=O)=O,,VYFDSJLOCIGIKP-SFTDATJTSA-N
BMGC_DG17557,BMG_DG219311,,c1c(c(cc2[nH]c3ccccc3c(c21)=O)C(=O)NC(C)(C)c4cnc(cc4)N5CCN(CC5)CC)F,,XEVJUIZOZCFECP-UHFFFAOYSA-N
BMGC_DG17558,BMG_DG219315,,o1c(n(c2c1cccc2)C3CCN(CC3)CCCCN4S(c5ccc(cc5C4=O)Cl)(=O)=O)=O,,CAQYVHKVLYTXRT-UHFFFAOYSA-N
BMGC_DG17559,BMG_DG219317,,c1c(ccc(c1)C(NN)=N)C[C@@H](C(N(C)C2CCCC2)=O)NS(=O)(=O)c3cc4c(cccc4)cc3,,ZPDICRPCOSQEDS-DEOSSOPVSA-N
BMGC_DG17560,BMG_DG219320,CC(C)N(CCCCOCC(=O)NS(=O)(=O)C)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3,N(c1cnc(-c2ccccc2)c(-c3ccccc3)n1)(C(C)C)CCCCOCC(=O)NS(=O)(=O)C,"InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)",QXWZQTURMXZVHJ-UHFFFAOYSA-N
BMGC_DG17561,BMG_DG219322,CC(C)C[C@@H](C(=O)N[C@H](C(=O)NC)C(C)(C)C)NC(=O)[C@H](CCN1C(=O)C(N(C1=O)C)(C)C)S,N1(C(N(C)C(C1=O)(C)C)=O)CC[C@@H](C(N[C@H](C(N[C@H](C(=O)NC)C(C)(C)C)=O)CC(C)C)=O)S,"InChI=1S/C23H41N5O5S/c1-13(2)12-14(17(29)26-16(19(31)24-8)22(3,4)5)25-18(30)15(34)10-11-28-20(32)23(6,7)27(9)21(28)33/h13-16,34H,10-12H2,1-9H3,(H,24,31)(H,25,30)(H,26,29)/t14-,15-,16+/m0/s1",GTXSRFUZSLTDFX-HRCADAONSA-N
BMGC_DG17562,BMG_DG219329,,C(c1ccccc1)(=O)Nc2ccc(cc2)Nc3ncnc4cc(c(cc34)OC)OCCCN5CCOCC5,,OGNYUTNQZVRGMN-UHFFFAOYSA-N
BMGC_DG17563,BMG_DG219333,C1=CC(=CC=C1C2=C(C(=O)C(=C(C2=O)O)C3=CC=C(C=C3)O)O)O,C1(=C(C(C(=C(C1=O)O)c2ccc(cc2)O)=O)O)c3ccc(cc3)O,"InChI=1S/C18H12O6/c19-11-5-1-9(2-6-11)13-15(21)17(23)14(18(24)16(13)22)10-3-7-12(20)8-4-10/h1-8,19-21,24H",FKQQKMGWCJGUCS-UHFFFAOYSA-N
BMGC_DG17564,BMG_DG219334,CN(CCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)[C@H](C2=CC=CC=C2)N3CCN(CC3)CC4CC4,N1(CCN(CC1)CC2CC2)[C@H](C(=O)N(C)CCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4ccccc4,"InChI=1S/C27H31F6N3O/c1-34(10-9-20-15-22(26(28,29)30)17-23(16-20)27(31,32)33)25(37)24(21-5-3-2-4-6-21)36-13-11-35(12-14-36)18-19-7-8-19/h2-6,15-17,19,24H,7-14,18H2,1H3/t24-/m0/s1",HUTHJVYJUPXHDF-DEOSSOPVSA-N
BMGC_DG17565,BMG_DG219339,,N1([C@H]([C@@H]([C@H](C1)c2cc3OCOc3c(c2)OC)C(=O)O)CC(CCC)(C)C)CC(=O)N(CCCC)CCCC,,OAEWNSKRLBVVBV-QSEAXJEQSA-N
BMGC_DG17566,BMG_DG219340,C1=CC=C(C(=C1)CN)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)N)F,n1(nc(cc1C(=O)Nc2c(cc(cc2)-c3c(cccc3)S(=O)(=O)N)F)C(F)(F)F)-c4c(cccc4)CN,"InChI=1S/C24H19F4N5O3S/c25-17-11-14(16-6-2-4-8-21(16)37(30,35)36)9-10-18(17)31-23(34)20-12-22(24(26,27)28)32-33(20)19-7-3-1-5-15(19)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36)",TYPXEIGMGZWOGB-UHFFFAOYSA-N
BMGC_DG17567,BMG_DG219345,,c1(ccc(cc1)NC(=O)NCCCCCC)S(=O)(=O)Nc2ccc(cc2)CCNC[C@@H](c3cnccc3)O,,RKIRUNUDHJGEGW-MHZLTWQESA-N
BMGC_DG17568,BMG_DG219349,,N1C(C=C[C@@]2([C@@]3([C@@](CC[C@@]12[H])([C@@]4(CC[C@@H]([C@]4(CC3)C)C(=O)NC(C(F)(F)F)(C(F)(F)F)c5ccccc5)[H])[H])[H])C)=O,,CUHBWKJGTVFTMR-QKONGSNMSA-N
BMGC_DG17569,BMG_DG219358,CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)/C=C/CN(C)C,CN(C/C=C/C(=O)Nc1c(cc2c(c1)c(Nc3ccc(c(c3)Cl)OCc4ncccc4)c(cn2)C#N)OCC)C,"InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+",JWNPDZNEKVCWMY-VQHVLOKHSA-N
BMGC_DG17570,BMG_DG219365,CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,O1[C@@H]([C@@H](O)[C@@H]([C@@H](O)[C@@H]1Oc2cc3CC[C@@H](c4c(ccc(c(c4)=O)SC)-c3c(c2OC)OC)NC(=O)C)O)CO,"InChI=1S/C27H33NO10S/c1-12(30)28-16-7-5-13-9-18(37-27-24(34)23(33)22(32)19(11-29)38-27)25(35-2)26(36-3)21(13)14-6-8-20(39-4)17(31)10-15(14)16/h6,8-10,16,19,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,19+,22+,23-,24+,27+/m0/s1",LEQAKWQJCITZNK-AXHKHJLKSA-N
BMGC_DG17571,BMG_DG219376,CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCSC3=NC=CC(=O)N3)C(F)(F)F,n1c(N2CCN(CCCSc3[nH]c(ccn3)=O)CC2)cc(nc1C(C)(C)C)C(F)(F)F,"InChI=1S/C20H27F3N6OS/c1-19(2,3)17-25-14(20(21,22)23)13-15(26-17)29-10-8-28(9-11-29)7-4-12-31-18-24-6-5-16(30)27-18/h5-6,13H,4,7-12H2,1-3H3,(H,24,27,30)",KXVAICSRMHXLJN-UHFFFAOYSA-N
BMGC_DG17572,BMG_DG219377,,C1N(CCO[C@@]1(c2ccc(c(c2)F)F)CCN3CCC(CC3)(NC(N(C)C)=O)c4ccccc4)C(=O)c5ccccc5,,QNLIUVLFRVYNCV-XIFFEERXSA-N
BMGC_DG17573,BMG_DG219384,CN(CC1=CC=CC=C1)C(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)C4(CCCCC4)NC(=O)C5=CNC6=CC=CC=C65,[nH]1cc(c2ccccc12)C(=O)NC3(CCCCC3)C(=O)N[C@H](C(=O)N(Cc4ccccc4)C)Cc5cc6ccccc6cc5,"InChI=1S/C37H38N4O3/c1-41(25-26-12-4-2-5-13-26)35(43)33(23-27-18-19-28-14-6-7-15-29(28)22-27)39-36(44)37(20-10-3-11-21-37)40-34(42)31-24-38-32-17-9-8-16-30(31)32/h2,4-9,12-19,22,24,33,38H,3,10-11,20-21,23,25H2,1H3,(H,39,44)(H,40,42)/t33-/m0/s1",IGAXDMFXJYIUIV-XIFFEERXSA-N
BMGC_DG17574,BMG_DG219386,,c1(ccc(cc1)C(Cc2c(c[n+](cc2)[O-])C)c3cc(c(cc3)OC(F)F)OC(F)F)C(O)(C(F)(F)F)C(F)(F)F,,QJLFNDIEDQOREP-UHFFFAOYSA-N
BMGC_DG17575,BMG_DG219387,C1=CC=C(C(=C1)C(=O)C2=C(N=CC=C2)C3=C(N(N=N3)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC=NC=C5)Cl,c1cc(-c2c(-c3ncccc3C(c4c(cccc4)Cl)=O)nnn2Cc5cc(cc(c5)C(F)(F)F)C(F)(F)F)ccn1,"InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2",CAVRKWRKTNINFF-UHFFFAOYSA-N
BMGC_DG17576,BMG_DG219391,,C(CN1CCC(CC1)N2CCCCC2)(c3c(n(c4ccccc34)CCC[C@H]5CNCCC5)COc6ccc(cc6)Cl)=O,,XHHLNSWTGQCLAS-MHZLTWQESA-N
BMGC_DG17577,BMG_DG219400,,c1(nc2c(c(n1)NCc3ccc(cc3)OC)nc(nc2NCc4ccc(cc4)OC)N(CCO)CCO)N(CCO)CCO,,YLCHOQKGZQGCKW-UHFFFAOYSA-N
BMGC_DG17578,BMG_DG219403,CCSCC1=CC2=C(C=C1)N3[C@H]4C[C@@]([C@](O4)(N5C6=C(C=C(C=C6)CSCC)C7=C8CNC(=O)C8=C2C3=C75)C)(C(=O)OC)O,[C@@]12(n3c4c5c(c6c(n5[C@H](O1)C[C@@]2(C(=O)OC)O)ccc(CSCC)c6)c7c(c4c8c3ccc(CSCC)c8)CNC7=O)C,"InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1",SCMLRESZJCKCTC-KMYQRJGFSA-N
BMGC_DG17579,BMG_DG219404,,[C@@H]1(CO[C@H]2CC[C@@H](CC2)C(O)=O)C[C@H](OC)CN1C(Cc3c(Cl)cc(c(c3)Cl)NC(c4c5c(n(c4)C)cccc5)=O)=O,,UPEGZTKVOGNGIP-QESAQDPVSA-N
BMGC_DG17580,BMG_DG219405,CC1=C(C=CC(=C1)F)[C@H]2C[C@H](CCN2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C(=O)C,[C@@H]1(N2CCN(C(C)=O)CC2)C[C@H](c3c(cc(F)cc3)C)N(CC1)C(=O)N(C)[C@H](C)c4cc(cc(c4)C(F)(F)F)C(F)(F)F,"InChI=1S/C30H35F7N4O2/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3/t19-,25+,27-/m1/s1",XGGTZCKQRWXCHW-WMTVXVAQSA-N
BMGC_DG17581,BMG_DG219408,C1CN([C@@H](C[C@H]1NC(=O)C2=CC=NC3=CC=CC=C23)CC4=CC=C(C=C4)Cl)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F,N1(C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=O)[C@@H](C[C@@H](NC(c3c4c(cccc4)ncc3)=O)CC1)Cc5ccc(cc5)Cl,"InChI=1S/C31H24ClF6N3O2/c32-22-7-5-18(6-8-22)13-24-17-23(40-28(42)26-9-11-39-27-4-2-1-3-25(26)27)10-12-41(24)29(43)19-14-20(30(33,34)35)16-21(15-19)31(36,37)38/h1-9,11,14-16,23-24H,10,12-13,17H2,(H,40,42)/t23-,24+/m0/s1",NXLUTEDAEFXMQR-BJKOFHAPSA-N
BMGC_DG17582,BMG_DG219428,CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F)C=C1C(=O)N[C@@H](C5=CC=CC=C5)C(=O)N(C)CC6=CC=CC=C6,c1c(-c2c(cccc2)C(Nc3ccc4n(c(cc4c3)C(=O)N[C@@H](c5ccccc5)C(=O)N(C)Cc6ccccc6)C)=O)ccc(c1)C(F)(F)F,"InChI=1S/C40H33F3N4O3/c1-46(25-26-11-5-3-6-12-26)39(50)36(28-13-7-4-8-14-28)45-38(49)35-24-29-23-31(21-22-34(29)47(35)2)44-37(48)33-16-10-9-15-32(33)27-17-19-30(20-18-27)40(41,42)43/h3-24,36H,25H2,1-2H3,(H,44,48)(H,45,49)/t36-/m0/s1",TUOSYWCFRFNJBS-BHVANESWSA-N
BMGC_DG17583,BMG_DG219432,CC(C)(C1CCN(CC1)CCC2(CN(CCO2)C(=O)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=C(C=C4)Cl)Cl)C(=O)N,,"InChI=1S/C31H35Cl2F6N3O3/c1-28(2,27(40)44)20-5-8-41(9-6-20)10-7-29(21-3-4-24(32)25(33)17-21)18-42(11-12-45-29)26(43)15-19-13-22(30(34,35)36)16-23(14-19)31(37,38)39/h3-4,13-14,16-17,20H,5-12,15,18H2,1-2H3,(H2,40,44)",ZLNYUCXXSDDIFU-UHFFFAOYSA-N
BMGC_DG17584,BMG_DG219433,C[C@H](CC[C@H](C(C)C)OS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@@H](C4)NCCCNCCCCNCCCN)C)O)C,CC(C)[C@@H](CC[C@@H](C)[C@]1(CC[C@]2([C@@]3([C@H](O)C[C@]4(C[C@@H](NCCCNCCCCNCCCN)CC[C@@]4([C@]3(CC[C@]12C)[H])C)[H])[H])[H])[H])OS(O)(=O)=O,"InChI=1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-/m1/s1",WUJVPODXELZABP-FWJXURDUSA-N
BMGC_DG17585,BMG_DG219436,CC[C@@H]1[C@@H]([C@@H]([C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@](C[C@@H](O3)C)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)CC)O)C)C)C)O)C,C1=2O[C@]([C@@]([C@H]([C@@]([C@@H](C)C(O[C@@H]([C@@H]([C@@H]([C@H]1C)O)C)CC)=O)(O[C@H]3C[C@](OC)(C)C[C@@H](O3)C)[H])C)(O[C@H]4[C@@H]([C@@H](N(CC)C)C[C@H](O4)C)O)[H])(C)CC2C,"InChI=1S/C38H67NO10/c1-14-28-23(6)30(40)24(7)32-20(3)17-38(11,49-32)34(48-36-31(41)27(39(12)15-2)16-21(4)45-36)25(8)33(26(9)35(42)46-28)47-29-19-37(10,43-13)18-22(5)44-29/h21-31,33-34,36,40-41H,14-19H2,1-13H3/t21-,22+,23+,24-,25+,26-,27+,28-,29+,30+,31-,33+,34-,36+,37+,38-/m1/s1",IWTSXJNGTTXMFK-KTQUSEMZSA-N
BMGC_DG17586,BMG_DG219440,CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C,[C@]1([C@@H]([C@H](C[C@H](O1)C)N(C)C)O)(O[C@@H]2[C@H]([C@@H]([C@H](C(O[C@H](CC)[C@@H]([C@@H]([C@H](C([C@@H](C[C@]2(O)C)C)=O)C)O)C)=O)C)O[C@]3(C[C@]([C@@H](O)[C@@H](O3)C)(OC)C)[H])C)[H],"InChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22+,23-,24+,25+,26-,27+,29+,30-,31+,32+,33-,35+,36-,37-/m1/s1",IDRYSCOQVVUBIJ-PPGFLMPOSA-N
BMGC_DG17587,BMG_DG219444,COCCN1CCC(CC1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)CN4C5=CC=CC=C5C(=O)C=C4SCC6=C(C(=CC=C6)F)F,n1(c(cc(=O)c2c1cccc2)SCc3c(c(F)ccc3)F)CC(N(C4CCN(CCOC)CC4)Cc5ccc(-c6ccc(C(F)(F)F)cc6)cc5)=O,"InChI=1S/C40H38F5N3O3S/c1-51-22-21-46-19-17-32(18-20-46)47(24-27-9-11-28(12-10-27)29-13-15-31(16-14-29)40(43,44)45)37(50)25-48-35-8-3-2-6-33(35)36(49)23-38(48)52-26-30-5-4-7-34(41)39(30)42/h2-16,23,32H,17-22,24-26H2,1H3",NNBGCSGCRSCFEA-UHFFFAOYSA-N
BMGC_DG17588,BMG_DG219477,,N[C@H](C(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@H](C(=O)N[C@@H](Cc3c4ccccc4[nH]c3)C(=O)N[C@@H](C(=O)N[C@H](C(N)=O)CCCCN)Cc5ccccc5)C)Cc6[nH]cnc6,,WZHKXNSOCOQYQX-FUAFALNISA-N
BMGC_DG17589,BMG_DG219483,C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)O,,"InChI=1S/C46H71N9O14/c1-23(2)20-31(50-39(61)29(47)21-27-12-14-28(57)15-13-27)40(62)49-30(16-17-35(59)60)45(67)55-19-9-10-32(55)41(63)48-22-34(58)54-18-8-11-33(54)42(64)51-36(24(3)4)43(65)53-38(26(7)56)44(66)52-37(25(5)6)46(68)69/h12-15,23-26,29-33,36-38,56-57H,8-11,16-22,47H2,1-7H3,(H,48,63)(H,49,62)(H,50,61)(H,51,64)(H,52,66)(H,53,65)(H,59,60)(H,68,69)/t26-,29+,30+,31+,32+,33+,36+,37+,38+/m1/s1",POVNCJSPYFCWJR-USZUGGBUSA-N
BMGC_DG17590,BMG_DG219485,C1CC1NC(=O)C2=CN(C3=C(C2=O)C=CC=N3)C4=CC=CC(=C4)C#CC5=C[N+](=CC=C5)[O-],n1(cc(c(c2cccnc12)=O)C(=O)NC3CC3)-c4cc(ccc4)C#Cc5c[n+](ccc5)[O-],"InChI=1S/C25H18N4O3/c30-23-21-7-2-12-26-24(21)29(16-22(23)25(31)27-19-10-11-19)20-6-1-4-17(14-20)8-9-18-5-3-13-28(32)15-18/h1-7,12-16,19H,10-11H2,(H,27,31)",JJWKQXNHYDJXKF-UHFFFAOYSA-N
BMGC_DG17591,BMG_DG219494,CCC1=C(C2=CC3=NC(=CN=C4C=C(C(=CC4=NC=C5C(=C(C(=N5)C=C1[N-]2)CCCO)C)OCCOCCOCCOC)OCCOCCOCCOC)C(=C3CCCO)C)CC.CC(=O)[O-].CC(=O)[O-].[Lu+3],[Lu+3].OCCCC=1c2cc3[n-]c(cc4nc(cnc5cc(c(cc5ncc(n2)C1C)OCCOCCOCCOC)OCCOCCOCCOC)C(=C4CCCO)C)c(c3CC)CC.CC(=O)[O-].CC(=O)[O-],"InChI=1S/C48H66N5O10.2C2H4O2.Lu/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;/h27-32,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);/q-1;;;+3/p-2",ZCISRIHHEXSWIR-WRIGXHCHSA-L;ZCISRIHHEXSWIR-UHFFFAOYSA-L
BMGC_DG17592,BMG_DG219526,,Cc1c(CCN(C)C)c2cc(Cl)ccc2[nH]1,,KSYMELKKLOFABL-UHFFFAOYSA-N
BMGC_DG17593,BMG_DG219528,,C(C(C)N)n1c2c3c(oc(CC)c3)ccc2cn1,,QLOOWOVVZLBYHU-UHFFFAOYSA-N
BMGC_DG17594,BMG_DG219549,,COc1nn(-c2ccc(OC)cc2)c(-c3ccc(OC)cc3)n1,,OBAICMYWONZOSZ-UHFFFAOYSA-N
BMGC_DG17595,BMG_DG219552,,OCc1c(F)c(F)c(F)c(F)c1F,,PGJYYCIOYBZTPU-UHFFFAOYSA-N
BMGC_DG17596,BMG_DG219566,C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4,n1ccccc1-c2cn(c(c(c2)-c3c(cccc3)C#N)=O)-c4ccccc4,"InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H",PRMWGUBFXWROHD-UHFFFAOYSA-N
BMGC_DG17597,BMG_DG219568,,C([C@H]1CC[C@H](c2nc(c3ncccc3c2)-c4cccc(F)c4)CC1)(O)=O,,XWVBOPKUSVZZPJ-HDJSIYSDSA-N
BMGC_DG17598,BMG_DG219583,,[C@@H]1(C([C@@H]1c2cccc3c2CCO3)(C)C)C(=O)NC(=N)N,,BSKQEHDSFIRYHK-NEPJUHHUSA-N
BMGC_DG17599,BMG_DG219596,COC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](C=C5)O)C=C1,COc1c2O[C@]3([C@@H](O)C=C[C@]4([H])[C@]35CCN[C@@H]4Cc(c25)cc1)[H],"InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10-,11+,12-,16-,17-/m0/s1",HKOIXWVRNLGFOR-KOFBORESSA-N
BMGC_DG17600,BMG_DG219601,,c1(nc2c([nH]1)c(ccc2)C(=O)N)C3CCN(CC3)CCC,,KXSIHXHEHABEJX-UHFFFAOYSA-N
BMGC_DG17601,BMG_DG219604,,CN(C)CC1(Cc2c1cc(cc2)OC)C3(CCCCC3)O,,UBIQMAFTTDZGEX-UHFFFAOYSA-N
BMGC_DG17602,BMG_DG219622,,c1ccc(C2(n3ccnc3)c4ccccc4-c5ccccc25)cc1,,DNCKVRPGVMTVNH-UHFFFAOYSA-N
BMGC_DG17603,BMG_DG219627,C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N,[C@@H]1([C@@H](N(c2ncnc3[nH]ccc23)C)CN(CC1)C(=O)CC#N)C,"InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1",UJLAWZDWDVHWOW-YPMHNXCESA-N
BMGC_DG17604,BMG_DG219630,CC1=CC(=CC=C1)C#C[C@@]2(CCC[C@@H]3[C@H]2CCN3C(=O)OC)O,c1cc(C)cc(C#C[C@]2([C@@]3(CCN([C@@]3(CCC2)[H])C(OC)=O)[H])O)c1,"InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1",ZFPZEYHRWGMJCV-ZHALLVOQSA-N
BMGC_DG17605,BMG_DG219632,,,,
BMGC_DG17606,BMG_DG219646,,,,
BMGC_DG17607,BMG_DG219647,,BrCC(=O)NCCCCCC(=O)Nc1ccccc1,,HWYLREOMBVUGJQ-UHFFFAOYSA-N
BMGC_DG17608,BMG_DG219663,,CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c2ccc(cc2)C#N,,HOQAVGZLYRYHSO-UHFFFAOYSA-N
BMGC_DG17609,BMG_DG219666,,c12c(c(c(C(=O)O)cn1C3CC3)=O)cc(F)c(N4C[C@@]5([C@]([C@H]5N)([H])C4)[H])n2,,HPQJHUNCWWNOJL-IWIIMEHWSA-N
BMGC_DG17610,BMG_DG219671,,O1CC(N(c2c1cc(cc2)F)CCCN3CCC(CC3)CCCC)=O,,BWAKMLKESHKOHK-UHFFFAOYSA-N
BMGC_DG17611,BMG_DG219678,C1=CC2=C(C(=C1)O)NC3=C4C(=C5C(=C23)C(=O)NC5=O)C6=C(N4)C(=CC=C6)O,O=C1c2c3c(c4c(c2C(N1)=O)c5c([nH]4)c(O)ccc5)[nH]c6c3cccc6O,"InChI=1S/C20H11N3O4/c24-9-5-1-3-7-11-13-14(20(27)23-19(13)26)12-8-4-2-6-10(25)16(8)22-18(12)17(11)21-15(7)9/h1-6,21-22,24-25H,(H,23,26,27)",FETFZHLVPOJEBR-UHFFFAOYSA-N
BMGC_DG17612,BMG_DG219679,CC[C@@H](C)[C@@H](C(=O)O)N,C([C@@H](N)[C@@H](CC)C)(=O)O,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1",AGPKZVBTJJNPAG-UHNVWZDZSA-N
BMGC_DG17613,BMG_DG219689,,c1(c(cccn1)C(=O)Nc2c(c(cc3c4c([nH]c23)cncc4)Cl)OC)C,,ZNOLRTPMNMPLHY-UHFFFAOYSA-N
BMGC_DG17614,BMG_DG219690,,Br.C(n1c(=N)sc2CCCCc21)C(c3ccc(C)cc3)=O,,HAGVCKULCLQGRF-UHFFFAOYSA-N
BMGC_DG17615,BMG_DG219691,,c1(ccc(cc1)C#N)-c2cc(c(cc2)OCCCN3C[C@@H](CC3)N(C)C)F,,POAUPBITMOGOTG-HXUWFJFHSA-N
BMGC_DG17616,BMG_DG219702,,c1cc(C)cc2c1[nH]c3c2CCNC3Cc4cc(OC)c(cc4)OC,,GDAJGLDMCDMPIR-UHFFFAOYSA-N
BMGC_DG17617,BMG_DG219703,,CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1,,ROGUAPYLUCHQGK-UHFFFAOYSA-N
BMGC_DG17618,BMG_DG219707,,,,
BMGC_DG17619,BMG_DG219715,CC(=CCC1=C(C2=C(N1)C=C(C=C2)OC)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3)C,,"InChI=1S/C22H27N3O3/c1-13(2)6-9-17-16(15-8-7-14(28-3)11-18(15)23-17)12-19-22(27)25-10-4-5-20(25)21(26)24-19/h6-8,11,19-20,23H,4-5,9-10,12H2,1-3H3,(H,24,26)/t19-,20-/m0/s1",XNRPVPHNDQHWLJ-PMACEKPBSA-N
BMGC_DG17620,BMG_DG219717,CC(=CCC/C(=C/CC/C(=C/CCC1(CCC2=C(O1)C=CC(=C2)O)C)/C)/C)C,c1cc2OC(C)(CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)CCc2cc1O,"InChI=1S/C26H38O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+",GJJVAFUKOBZPCB-ZGRPYONQSA-N
BMGC_DG17621,BMG_DG219722,COC1=C(C=C(C=C1)CCO[C@@H]2CCCC[C@H]2N3CC[C@H](C3)O)OC.Cl,N1([C@H]2[C@H](OCCc3cc(OC)c(cc3)OC)CCCC2)C[C@H](O)CC1.Cl,"InChI=1S/C20H31NO4.ClH/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21;/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3;1H/t16-,17-,18-;/m1./s1",JMHYCBFEEFHTMK-IIUXMCBISA-N
BMGC_DG17622,BMG_DG219723,COC1=C(C=C(C=C1)CCO[C@@H]2CCCC[C@H]2N3CC[C@H](C3)O)OC,N1([C@H]2[C@H](OCCc3cc(OC)c(cc3)OC)CCCC2)C[C@H](O)CC1,"InChI=1S/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18-/m1/s1",VBHQKCBVWWUUKN-KZNAEPCWSA-N
BMGC_DG17623,BMG_DG219726,,C(N[C@H]1CN2CCC1CC2)(c3ncc4c(c3)cco4)=O,,IPKZCLGGYKRDES-ZDUSSCGKSA-N
BMGC_DG17624,BMG_DG219734,,n1c(c(C=C)cnc1O)O,,ZRYZBEQILKESAW-UHFFFAOYSA-N
BMGC_DG17625,BMG_DG219735,CN1C2=C(C=CC(=C2)Cl)C3=C1C(=O)N(N=C3CC(=O)N(C)C)C4=CC=CC=C4,c1(ccccc1)-n2c(c3c(c4ccc(cc4n3C)Cl)c(n2)CC(=O)N(C)C)=O,"InChI=1S/C21H19ClN4O2/c1-24(2)18(27)12-16-19-15-10-9-13(22)11-17(15)25(3)20(19)21(28)26(23-16)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3",HJSQVJOROCIILI-UHFFFAOYSA-N
BMGC_DG17626,BMG_DG219741,,c1(c(c(cnn1CC2CC2)-c3ccc(cc3)S(=O)(=O)C)-c4ccc(cc4)F)=O,,NRXNITPRTPIEKU-UHFFFAOYSA-N
BMGC_DG17627,BMG_DG219752,,N(c1cc(=O)[nH]c(=O)[nH]1)c2ccc(CCCC)cc2,,XIKQUZTWHPFJKG-UHFFFAOYSA-N
BMGC_DG17628,BMG_DG219761,C1CCC2(C1)CC(=O)N(C(=O)C2)CCN3CCN(CC3)C4=CC(=C(C=C4F)F)F,,"InChI=1S/C21H26F3N3O2/c22-15-11-17(24)18(12-16(15)23)26-8-5-25(6-9-26)7-10-27-19(28)13-21(14-20(27)29)3-1-2-4-21/h11-12H,1-10,13-14H2",AUQZROKGNYIFMG-UHFFFAOYSA-N
BMGC_DG17629,BMG_DG219762,CC1=NC=CN1C2=CC=C(C=C2)COC3=CC(=CC(=C3)C4(CCOCC4)C(=O)N)F,C1CC(CCO1)(C(=O)N)c2cc(cc(c2)OCc3ccc(cc3)-n4ccnc4C)F,"InChI=1S/C23H24FN3O3/c1-16-26-8-9-27(16)20-4-2-17(3-5-20)15-30-21-13-18(12-19(24)14-21)23(22(25)28)6-10-29-11-7-23/h2-5,8-9,12-14H,6-7,10-11,15H2,1H3,(H2,25,28)",WOTAALFHBLLBGH-UHFFFAOYSA-N
BMGC_DG17630,BMG_DG219770,,N(c1cnc(-c2ccccc2)c(-c3ccccc3)n1)(C(C)C)CCCCOCC(=O)O,,OJQMKCBWYCWFPU-UHFFFAOYSA-N
BMGC_DG17631,BMG_DG219772,CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2,c12c3c(C(NCC1)=O)cc(cc3[nH]c2-c4ccc(cc4)CNC)F,"InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)",HMABYWSNWIZPAG-UHFFFAOYSA-N
BMGC_DG17632,BMG_DG219773,,[C@H]1(NC(=O)c2cc3c(cc2)OCCO3)CN4CCC1CC4,,LUVXHMJTVXZFPD-ZDUSSCGKSA-N
BMGC_DG17633,BMG_DG219786,,S(N[C@@H](Cc1ccccc1)C(O)=O)(=O)(=O)c2ccc(C)cc2,,CGRCVIZBNRUWLY-HNNXBMFYSA-N
BMGC_DG17634,BMG_DG219790,,O1C(C(=C(C1(C)C)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(cn3)Br)=O,,XCNHDBDVIVAJHX-UHFFFAOYSA-N
BMGC_DG17635,BMG_DG219796,C[N+]1(CC[C@@H](C1)OC(=O)[C@@](C2CCCC2)(C3=CC=CC=C3)O)C,C([C@](c1ccccc1)(C2CCCC2)O)(O[C@@H]3C[N+](C)(C)CC3)=O,"InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1/t17-,19-/m0/s1",ANGKOCUUWGHLCE-HKUYNNGSSA-N
BMGC_DG17636,BMG_DG219797,C1COCCC1(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C(F)(F)F,,"InChI=1S/C19H18F3NO6S/c20-19(21,22)13-1-3-14(4-2-13)29-15-5-7-16(8-6-15)30(26,27)18(17(24)23-25)9-11-28-12-10-18/h1-8,25H,9-12H2,(H,23,24)",FOSWRYKPHVPIDJ-UHFFFAOYSA-N
BMGC_DG17637,BMG_DG219802,CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5,c1(c(OCCCN2CCCC2)cc3ncnc(c3c1)Oc4c(c5c(cc4)[nH]c(c5)C)F)OC,"InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3",XXJWYDDUDKYVKI-UHFFFAOYSA-N
BMGC_DG17638,BMG_DG219810,CN(CCC1=CC(=C(C=C1)OC)OC)CCOC2=C(C=C(C=C2)NS(=O)(=O)C)N,,"InChI=1S/C20H29N3O5S/c1-23(10-9-15-5-7-19(26-2)20(13-15)27-3)11-12-28-18-8-6-16(14-17(18)21)22-29(4,24)25/h5-8,13-14,22H,9-12,21H2,1-4H3",ZOQHJQODUHVVEV-UHFFFAOYSA-N
BMGC_DG17639,BMG_DG219814,C1C(NCS1)C(=O)O,C1(C(=O)O)NCSC1,"InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)",DZLNHFMRPBPULJ-UHFFFAOYSA-N
BMGC_DG17640,BMG_DG219816,,C(c1cc(c(cc1)F)F)(=O)N[C@H]2CC[C@H](CC2)Nc3nc4ccccc4c(n3)N(C)C,,FAIMGWSOSCFGRU-IYBDPMFKSA-N
BMGC_DG17641,BMG_DG219821,,O=c1c2c(oc(c1O)-c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc3)cc(O)cc2O,,YLWQTYZKYGNKPI-HMGRVEAOSA-N
BMGC_DG17642,BMG_DG219826,,O[C@@H]1CC2(CCN([C@H]3Cc4c(cc(cc4)C#N)CC3)CC2)Oc5c1cc(cc5)NS(C)(=O)=O,,NIYGLRKUBPNXQS-FYYLOGMGSA-N
BMGC_DG17643,BMG_DG219829,,,,
BMGC_DG17644,BMG_DG219831,,c1(ccc(s1)CCCN2[C@H](CCC2=O)CC[C@H](Cc3cc(ccc3)C(F)(F)F)O)C(=O)O,,JYZXGURJKNAFPT-ZWKOTPCHSA-N
BMGC_DG17645,BMG_DG219833,,c1(c(ccc(c1)-c2sc(CSc3ccc(c(c3)C)OCC(O)=O)c(n2)C)C(F)(F)F)F,,HWVNEWGKWRGSRK-UHFFFAOYSA-N
BMGC_DG17646,BMG_DG219838,,N(c1c2c(n(CCc3cc(O)ccc3)cn2)nc(n1)C4CCCC4)c5ccc(P(C)(C)=O)cc5,,VVOYROSONSLQQK-UHFFFAOYSA-N
BMGC_DG17647,BMG_DG219842,,C(COc1cccc2C[C@H](CCc12)Cn3c(ccc(n3)C(c4ccccc4)c5ccccc5)=O)(=O)O,,FFRFCEJVGONUHG-NRFANRHFSA-N
BMGC_DG17648,BMG_DG219843,,n1(-c2cc(Cl)ccc2)cncc1,,LEKTXVRARNYCNV-UHFFFAOYSA-N
BMGC_DG17649,BMG_DG219847,,C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc3c(CS(O)(=O)=O)cc(Cl)cc3,,LODQAVBQKGQCJA-JKSUJKDBSA-N
BMGC_DG17650,BMG_DG219848,CCOC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)OC(=O)C(Cl)Cl,[C@@]12([C@@](OC(C(Cl)Cl)=O)(C(=O)OCC)CC[C@]2([C@]3([C@]([C@]4(C=CC(C=C4CC3)=O)C)([H])[C@H](C1)O)[H])[H])C,"InChI=1S/C24H30Cl2O6/c1-4-31-21(30)24(32-20(29)19(25)26)10-8-16-15-6-5-13-11-14(27)7-9-22(13,2)18(15)17(28)12-23(16,24)3/h7,9,11,15-19,28H,4-6,8,10,12H2,1-3H3/t15-,16-,17-,18+,22-,23-,24-/m0/s1",QAIOVDNCIZSSSF-RFAJLIJZSA-N
BMGC_DG17651,BMG_DG219858,CCOC(=O)[C@H](CC1=CC=C(C=C1)F)NC(=O)[C@H](CC2=CC=C(C=C2)N(CCCl)CCCl)N,O(CC)C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(N(CCCl)CCCl)cc1)Cc2ccc(F)cc2,"InChI=1S/C24H30Cl2FN3O3/c1-2-33-24(32)22(16-18-3-7-19(27)8-4-18)29-23(31)21(28)15-17-5-9-20(10-6-17)30(13-11-25)14-12-26/h3-10,21-22H,2,11-16,28H2,1H3,(H,29,31)/t21-,22-/m0/s1",YQZNKYXGZSVEHI-VXKWHMMOSA-N
BMGC_DG17652,BMG_DG219859,,N1([C@@H](CC(C1)(F)F)C(=O)O)C[C@@H]2C[C@@]3(C[C@@H](C(=O)O)NC[C@@]3(CC2)[H])[H],,OXQXJYQSWZFDBB-WJTVCTBASA-N
BMGC_DG17653,BMG_DG219867,,C(/C=C/c1cc(c(c(c1)OC)OC)OC)(=O)O[C@H]2[C@H]([C@@]([C@@]3(CO3)CC2)([C@]4(O[C@@H]4CC=C(C)C)C)[H])OC,,YALIVVKJRYVKNB-GGHPKCFRSA-N
BMGC_DG17654,BMG_DG219872,,C(COc1ccc(cc1)-c2nc3c(n(c(n(c3[nH]2)CCC)=O)CCC)=O)(=O)NN4C(C(=C(C4=O)C)C)=O,,NIXWFDNYUWLKLC-UHFFFAOYSA-N
BMGC_DG17655,BMG_DG219876,,N1([C@H]([C@@H]([C@H](C1)c2cc3CCOc3cc2)C(=O)O)c4cc(c(cc4)C)F)CC(=O)N(CCCC)CCCC,,QEEBBVPPVYZDDG-USOMCTOXSA-N
BMGC_DG17656,BMG_DG219877,,C(c1cc(cc(c1)-c2c(nc(c(n2CC(=O)NCc3ccc(cc3)C(=N)N)=O)NC(C)C)Cl)N)(=O)O,,XDNNQWBDYFHHSY-UHFFFAOYSA-N
BMGC_DG17657,BMG_DG219881,CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)C3=C(O2)C=C(C=C3)Cl)CC4=CC=CC=C4)C(C)C,c1cc2c(c(c([C@@H](C(C)C)N(C(c3ccc(cc3)C)=O)CCCN)oc2cc1Cl)Cc4ccccc4)=O,"InChI=1S/C31H33ClN2O3/c1-20(2)28(34(17-7-16-33)31(36)23-12-10-21(3)11-13-23)30-26(18-22-8-5-4-6-9-22)29(35)25-15-14-24(32)19-27(25)37-30/h4-6,8-15,19-20,28H,7,16-18,33H2,1-3H3/t28-/m1/s1",PGXYIBJJCLWJST-MUUNZHRXSA-N
BMGC_DG17658,BMG_DG219882,C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)SCC3=CSC(=N3)C4=CC=C(C=C4)Cl)N)C#N)OCCO,c1(nc(c(c(c1C#N)-c2ccc(cc2)OCCO)C#N)SCc3csc(n3)-c4ccc(cc4)Cl)N,"InChI=1S/C25H18ClN5O2S2/c26-17-5-1-16(2-6-17)24-30-18(13-34-24)14-35-25-21(12-28)22(20(11-27)23(29)31-25)15-3-7-19(8-4-15)33-10-9-32/h1-8,13,32H,9-10,14H2,(H2,29,31)",CITWCLNVRIKQAF-UHFFFAOYSA-N
BMGC_DG17659,BMG_DG219886,,n1(c2c(c3CNC(c3c-4c2Cc5ccccc45)=O)c6c1ccc(COC(C)C)c6)CCCOC(=O)CN(C)C,,UHEBDUAFKQHUBV-UHFFFAOYSA-N
BMGC_DG17660,BMG_DG219890,CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C,Cc1nnc2n1-c3sc(C)c(C)c3C(c4ccc(Cl)cc4)=N[C@H]2CC(=O)Nc5ccc(O)cc5,"InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1",GNMUEVRJHCWKTO-FQEVSTJZSA-N
BMGC_DG17661,BMG_DG219899,COC1=C(C2=C(CN([C@@H](C2)C(=O)O)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1)OCC5=CC=CC=C5,O(Cc1ccccc1)c2c3c(CN([C@@H](C3)C(O)=O)C(C(c4ccccc4)c5ccccc5)=O)ccc2OC,"InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/t27-/m0/s1",GHBCIXGRCZIPNQ-MHZLTWQESA-N
BMGC_DG17662,BMG_DG219924,,C(c1ccc(cc1)N(CC#C)Cc2cc3c(n(c(nc3cc2Cl)CN4CCN(CC4)C)C)=O)(=O)NCc5cnccc5,,LWTCFUSGPRGUBX-UHFFFAOYSA-N
BMGC_DG17663,BMG_DG219926,,C([C@@H](NC(c1c(cc(cc1)CNCc2nc[nH]c2)-c3cccc4ccccc34)=O)CC(C)C)(=O)O,,LQNDTMZXYCNVNE-SANMLTNESA-N
BMGC_DG17664,BMG_DG219928,,n1c2c(cccc2)c(c3c1cccc3)OC,,ZHBWKWDAMIJZPW-UHFFFAOYSA-N
BMGC_DG17665,BMG_DG219929,,n1c2c(ccc1)c(c(c(n2CCCC)=O)NC(Nc3c(cc(cc3C(C)C)N)C(C)C)=O)-c4cccc(c4)OCCCO,,HNRUUMLUBDTZHX-UHFFFAOYSA-N
BMGC_DG17666,BMG_DG219940,CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CCC([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C.C(=C/C(=O)O)\C(=O)O,,"InChI=1S/C28H47NO4S.C4H4O4/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28;5-3(6)1-2-4(7)8/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t19?,20-,22+,24-,25-,26+,27-,28-;/m0./s1",YXQXDXAHCSEVSD-IHAONTCTSA-N
BMGC_DG17667,BMG_DG219948,CN([C@H](CC1=CC(=C(C=C1)Cl)Cl)/C=C/C(=O)N[C@@H]2CCCCNC2=O)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F,c1c(C(F)(F)F)cc(C(=O)N(C)[C@H](Cc2cc(Cl)c(Cl)cc2)/C=C/C(=O)N[C@H]3C(=O)NCCCC3)cc1C(F)(F)F,"InChI=1S/C27H25Cl2F6N3O3/c1-38(25(41)16-12-17(26(30,31)32)14-18(13-16)27(33,34)35)19(10-15-5-7-20(28)21(29)11-15)6-8-23(39)37-22-4-2-3-9-36-24(22)40/h5-8,11-14,19,22H,2-4,9-10H2,1H3,(H,36,40)(H,37,39)/b8-6+/t19-,22+/m0/s1",BHCJHYIMNHXLOM-WVDRJWPYSA-N
BMGC_DG17668,BMG_DG219955,CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=CC=CC=C4)C5=CC=CC=C5C(F)(F)F,,"InChI=1S/C33H29F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)",JVOGASLNIGJLLS-UHFFFAOYSA-N
BMGC_DG17669,BMG_DG219958,CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC(=CC=C2)C(=N)N)NS(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C.Cl,c1cc(C[C@H](NS(c2c(cc(cc2C(C)C)C(C)C)C(C)C)(=O)=O)C(=O)N3CCN(CC3)C(=O)OCC)cc(c1)C(=N)N.Cl,"InChI=1S/C32H47N5O5S.ClH/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7;/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34);1H/t28-;/m0./s1",FMHIVIJVVYYSRN-JCOPYZAKSA-N
BMGC_DG17670,BMG_DG219963,CCN(CC)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCC5=CC=C(C=C5)F,n1c(n(CC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CCN(CC)CC)=O)c4c(c1=O)CCC4)SCc5ccc(cc5)F,"InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3",WDPFJWLDPVQCAJ-UHFFFAOYSA-N
BMGC_DG17671,BMG_DG219968,CN1CCC(CC1)N2CCN(CC2)C(=O)[C@@H](C3=CC=CC=C3)NC(=O)C4=CC5=C(C=C4)C=CN5,[nH]1ccc2ccc(cc12)C(=O)N[C@@H](C(=O)N3CCN(CC3)C4CCN(CC4)C)c5ccccc5,"InChI=1S/C27H33N5O2/c1-30-13-10-23(11-14-30)31-15-17-32(18-16-31)27(34)25(21-5-3-2-4-6-21)29-26(33)22-8-7-20-9-12-28-24(20)19-22/h2-9,12,19,23,25,28H,10-11,13-18H2,1H3,(H,29,33)/t25-/m1/s1",VYNKVNDKAOGAAQ-RUZDIDTESA-N
BMGC_DG17672,BMG_DG219969,CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)C1)OCC(=O)N[C@H](C3=CC=CC=C3)C(=O)NCC(=O)O)SC)C4=CC=CC=C4)CCCC,C(=O)(N[C@H](c1ccccc1)C(=O)NCC(O)=O)COc2cc3S(CC(CN(c3cc2SC)c4ccccc4)(CCCC)CCCC)(=O)=O,"InChI=1S/C36H45N3O7S2/c1-4-6-18-36(19-7-5-2)24-39(27-16-12-9-13-17-27)28-20-30(47-3)29(21-31(28)48(44,45)25-36)46-23-32(40)38-34(26-14-10-8-11-15-26)35(43)37-22-33(41)42/h8-17,20-21,34H,4-7,18-19,22-25H2,1-3H3,(H,37,43)(H,38,40)(H,41,42)/t34-/m1/s1",XFLQIRAKKLNXRQ-UUWRZZSWSA-N
BMGC_DG17673,BMG_DG219994,CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,,"InChI=1S/C29H30N6O6.C7H8ClN3O4S2/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26;8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34);1-2,10-11H,3H2,(H2,9,12,13)",CJPRWUSPLWISJM-UHFFFAOYSA-N
BMGC_DG17674,BMG_DG220007,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCCN)N,,"InChI=1S/C50H78N10O11/c1-8-31(6)42(60-44(64)35(52)21-15-16-22-51)49(69)58-37(25-33-17-11-9-12-18-33)45(65)53-27-41(62)55-40(28-61)48(68)57-36(23-29(2)3)46(66)54-32(7)43(63)56-38(26-34-19-13-10-14-20-34)47(67)59-39(50(70)71)24-30(4)5/h9-14,17-20,29-32,35-40,42,61H,8,15-16,21-28,51-52H2,1-7H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,68)(H,58,69)(H,59,67)(H,60,64)(H,70,71)/t31-,32-,35-,36-,37-,38-,39-,40-,42-/m0/s1",AHOKKYCUWBLDST-QYULHYBRSA-N
BMGC_DG17675,BMG_DG220008,CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)O)NC(=O)C,C(c1c2c([nH]c1)cccc2)[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](Cc5cnc[nH]5)NC([C@H](CC(NCCCC[C@H](NC3=O)C(O)=O)=O)NC([C@H](CCCC)NC(C)=O)=O)=O,"InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1",FFHBJDQSGDNCIV-MFVUMRCOSA-N
BMGC_DG17676,BMG_DG220010,C1[C@H](CN2[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN,[nH]1cc(C[C@@H]2C(=O)N[C@@H](CCCCN)C(N[C@H](C(N[C@@H](Cc3ccccc3)C(=O)N4C[C@@H](C[C@]4(C(=O)N[C@H](C(=O)N2)c5ccccc5)[H])OC(NCCN)=O)=O)Cc6ccc(cc6)OCc7ccccc7)=O)c8c1cccc8,"InChI=1S/C58H66N10O9/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72)/t43-,46+,47+,48-,49+,50+,51+/m1/s1",VMZMNAABQBOLAK-DBILLSOUSA-N
BMGC_DG17677,BMG_DG220031,,c1cc(-c2cn[nH]n2)ccn1,,KEFBRERBEDJOQZ-UHFFFAOYSA-N
BMGC_DG17678,BMG_DG220048,C1=C(NC=N1)CCNC(=O)CCCC(=O)O,C(CCCC(=O)NCCc1c[nH]cn1)(=O)O,"InChI=1S/C10H15N3O3/c14-9(2-1-3-10(15)16)12-5-4-8-6-11-7-13-8/h6-7H,1-5H2,(H,11,13)(H,12,14)(H,15,16)",KZIMLUFVKJLCCH-UHFFFAOYSA-N
BMGC_DG17679,BMG_DG220049,CC[C@@H](C(=O)N)N1C[C@@H](CC1=O)C=C(F)F,C1C(N(C[C@@H]1C=C(F)F)[C@@H](CC)C(=O)N)=O,"InChI=1S/C10H14F2N2O2/c1-2-7(10(13)16)14-5-6(3-8(11)12)4-9(14)15/h3,6-7H,2,4-5H2,1H3,(H2,13,16)/t6-,7+/m1/s1",ANWPENAPCIFDSZ-RQJHMYQMSA-N
BMGC_DG17680,BMG_DG220073,,,,
BMGC_DG17681,BMG_DG220078,,N1(CCOCC1)Cc2cc(ccc2)C#CCCN3CCCCC3,,HDRIBIYPLKZUDQ-UHFFFAOYSA-N
BMGC_DG17682,BMG_DG220097,C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,,"InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18?,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",FYHRJWMENCALJY-CCDZVGGQSA-N
BMGC_DG17683,BMG_DG220103,,o1c(ccc2c1ccc(c2)O)=O,,CJIJXIFQYOPWTF-UHFFFAOYSA-N
BMGC_DG17684,BMG_DG220104,CC(=O)OC[C@@H](C(=O)O)N,C([C@H](COC(=O)C)N)(=O)O,"InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1",VZXPDPZARILFQX-BYPYZUCNSA-N
BMGC_DG17685,BMG_DG220107,,O=C/1Nc2c(cc(cc2)-c3cnccc3)\C1=C\c4[nH]ccc4,,IQNTXIMXKCURDC-YBEGLDIGSA-N
BMGC_DG17686,BMG_DG220108,,[C@@H]1(O)C=C2[C@]([C@@]3([C@@]([C@]4([C@@](C)(C(=O)CC4)CC3)[H])([H])CC2)[H])(C)CC1,,VMYTXBKVYDESSJ-USOAJAOKSA-N
BMGC_DG17687,BMG_DG220109,CC1=C(C2=C(CCC(O2)(C)C)C(=C1O)C)C,c12c(c(C)c(c(c1C)C)O)CCC(O2)(C)C,"InChI=1S/C14H20O2/c1-8-9(2)13-11(10(3)12(8)15)6-7-14(4,5)16-13/h15H,6-7H2,1-5H3",SEBPXHSZHLFWRL-UHFFFAOYSA-N
BMGC_DG17688,BMG_DG220111,C1C[C@H](C2=CC=CC=C2[C@@H]1C3=CC(=C(C=C3)Cl)Cl)N,c1ccc2c(c1)[C@@H](CC[C@H]2c3cc(c(cc3)Cl)Cl)N,"InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16+/m0/s1",SRPXSILJHWNFMK-MEDUHNTESA-N
BMGC_DG17689,BMG_DG220115,C1CCN(CC1)CCCOCCCC2=CC=C(C=C2)Cl,c1(ccc(cc1)Cl)CCCOCCCN2CCCCC2,"InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2",NNACHAUCXXVJSP-UHFFFAOYSA-N
BMGC_DG17690,BMG_DG220118,C1CCN(CC1)CCCCOC2=CC=CC3=C2CCNC3=O,O(c1cccc2C(NCCc21)=O)CCCCN3CCCCC3,"InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)",RVOUDNBEIXGHJY-UHFFFAOYSA-N
BMGC_DG17691,BMG_DG220128,CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)O)C,,"InChI=1S/C16H13FN4O2/c1-8-5-10-11(20-8)3-4-13(14(10)17)23-16-15-9(2)12(22)6-21(15)19-7-18-16/h3-7,20,22H,1-2H3",NBBOVDMBSDVVFP-UHFFFAOYSA-N
BMGC_DG17692,BMG_DG220134,,c1c(cccn1)C(=O)Nc2cc(cc3c4c([nH]c23)cncc4)Cl,,JZRMBDHPALEPDM-UHFFFAOYSA-N
BMGC_DG17693,BMG_DG220143,,c1(ccc(cc1)Cl)C(C(=O)O)Oc2cc(ccc2)C(F)(F)F,,DDTQLPXXNHLBAB-UHFFFAOYSA-N
BMGC_DG17694,BMG_DG220146,CC(C)(C)C1=C(N=CN1)/C=C\2/C(=O)N/C(=C\C3=CC=CC=C3)/C(=O)N2,c1ccc(/C=c\2/c(=O)[nH]/c(/c([nH]2)=O)=C\c3nc[nH]c3C(C)(C)C)cc1,"InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-",UNRCMCRRFYFGFX-TYPNBTCFSA-N
BMGC_DG17695,BMG_DG220147,C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCCCCCCC(=O)NO,C(CCCCCCOc1ccc(cc1)-c2ccc(cc2)C#N)(=O)NO,"InChI=1S/C20H22N2O3/c21-15-16-6-8-17(9-7-16)18-10-12-19(13-11-18)25-14-4-2-1-3-5-20(23)22-24/h6-13,24H,1-5,14H2,(H,22,23)",DWIYBCKFYUQVLU-UHFFFAOYSA-N
BMGC_DG17696,BMG_DG220148,,CCC[C@H](CC1(CCCC1)C(=O)Nc2nnc(s2)CC)C(=O)O,,FWXXCSISWQQOGS-LLVKDONJSA-N
BMGC_DG17697,BMG_DG220151,,n1c(n2c(n1)ccc(c2)-c3ocnc3-c4c(ccc(c4)F)F)C(C)C,,UACOXBQBNWQWOK-UHFFFAOYSA-N
BMGC_DG17698,BMG_DG220152,CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@]3(C)C(=O)C)C)[C@@]4(C1=CC(=O)CC4)C,C1=2[C@@]([C@@]3([C@@]([C@]4([C@]([C@](C(=O)C)(C)CC4)(C)CC3)[H])([H])C=C1C)[H])(CCC(C2)=O)C,"InChI=1S/C23H32O2/c1-14-12-17-18(21(3)9-6-16(25)13-20(14)21)7-11-23(5)19(17)8-10-22(23,4)15(2)24/h12-13,17-19H,6-11H2,1-5H3/t17-,18+,19+,21-,22-,23+/m1/s1",HCFSGRMEEXUOSS-JXEXPEPMSA-N
BMGC_DG17699,BMG_DG220155,C1=CC=C2C(=C1)C=CC3=CC=CC=C32,c12c3c(cccc3)ccc1cccc2,InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H,YNPNZTXNASCQKK-UHFFFAOYSA-N
BMGC_DG17700,BMG_DG220157,CN1CC[C@@]2(CC3=NC4=CC=CC=C4C=C3C[C@H]2C1)C5=CC(=CC=C5)O,CN1C[C@]2([C@@](Cc3c(C2)cc4c(n3)cccc4)(CC1)c5cc(O)ccc5)[H],"InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1",LEPBHAAYNPPRRA-WMZHIEFXSA-N
BMGC_DG17701,BMG_DG220172,,c12c(c3c(c(o1)=O)ccc(c3)O)c(cc(c2)C(CCCCCC)(C)C)O,,BWKBVEVEQOCSCF-UHFFFAOYSA-N
BMGC_DG17702,BMG_DG220173,C1=CC(=CC=C1O)OC2=C(C=C(C=C2)CCN)I,O(c1c(I)cc(CCN)cc1)c2ccc(O)cc2,"InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2",XIINYOJWNGOUPF-UHFFFAOYSA-N
BMGC_DG17703,BMG_DG220184,,C(CCCCCN)(=O)N1CCN(CC1)C(CC(C)C)=O,,VRZYMMVEALDDBH-UHFFFAOYSA-N
BMGC_DG17704,BMG_DG220188,CC1=C(C(=CC=C1)C)CNC2=CC(=CN3C2=NC(=C3C)C)C(=O)NCCO,c1(cc(cn2c(c(C)nc12)C)C(=O)NCCO)NCc3c(cccc3C)C,"InChI=1S/C21H26N4O2/c1-13-6-5-7-14(2)18(13)11-23-19-10-17(21(27)22-8-9-26)12-25-16(4)15(3)24-20(19)25/h5-7,10,12,23,26H,8-9,11H2,1-4H3,(H,22,27)",GHVIMBCFLRTFHI-UHFFFAOYSA-N
BMGC_DG17705,BMG_DG220189,,c12nc(cc(n1nc(c2-c3cnc(cc3)N(C)C)C)N(CCC)CCC)C,,QJEURMFEYXHROW-UHFFFAOYSA-N
BMGC_DG17706,BMG_DG220191,,OC([C@@H](Cc1ccccc1)CN2C[C@@H]([C@](CC2)(C)c3cc(ccc3)O)C)=O,,KSBSLJKYJXTATP-WCAVRKLYSA-N
BMGC_DG17707,BMG_DG220200,C[C@]12CC[C@H]3[C@@]4(CCC[C@@]([C@H]4CC[C@@]3(C1)CC2=O)(C)C(=O)O)C,C1[C@@]2([C@]3(CC([C@](C1)(C)C3)=O)CC[C@]4([C@]2(CCC[C@@]4(C)C(=O)O)C)[H])[H],"InChI=1S/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m0/s1",KFVUFODCZDRVSS-XGBBNYNSSA-N
BMGC_DG17708,BMG_DG220206,,C(c1cc(ccc1)Nc2nc(nc3n(cnc23)CC)N[C@H]4CC[C@@H](CC4)O)#N,,YREVWYJUWQLUFX-KOMQPUFPSA-N
BMGC_DG17709,BMG_DG220212,,c1(c2c(ccc(C(F)(F)F)c2)[nH]c(c1CCO)=O)-c3c(ccc(c3)Cl)O,,QESHSZWKJULSAR-UHFFFAOYSA-N
BMGC_DG17710,BMG_DG220214,,,,
BMGC_DG17711,BMG_DG220218,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OCC(=O)O)OC,C(COc1cc2c(c(cc(o2)-c3cc(c(cc3)OC)OC)=O)c(c1)OC)(=O)O,"InChI=1S/C20H18O8/c1-24-14-5-4-11(6-16(14)25-2)15-9-13(21)20-17(26-3)7-12(8-18(20)28-15)27-10-19(22)23/h4-9H,10H2,1-3H3,(H,22,23)",BCPQOBQIVJZOFL-UHFFFAOYSA-N
BMGC_DG17712,BMG_DG220220,C[C@H]1[C@H](CCN1CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3OC)NC)Cl,,"InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m0/s1",KRVOJOCLBAAKSJ-KSSFIOAISA-N
BMGC_DG17713,BMG_DG220227,CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C,C(c1ccccc1)(=O)Nc2cc(ccn2)-c3c(nc(s3)CC)-c4cc(ccc4)C,"InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)",HEKAIDKUDLCBRU-UHFFFAOYSA-N
BMGC_DG17714,BMG_DG220231,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C,,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23-,24-,25+,27-/m1/s1",JWUBBDSIWDLEOM-UEGFJKGBSA-N
BMGC_DG17715,BMG_DG220232,CO/N=C\1/CN(CC12CNC2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5CC5)C(=O)O)F,,"InChI=1S/C19H20FN5O4/c1-29-23-14-6-24(9-19(14)7-21-8-19)17-13(20)4-11-15(26)12(18(27)28)5-25(10-2-3-10)16(11)22-17/h4-5,10,21H,2-3,6-9H2,1H3,(H,27,28)/b23-14-",ZNPOCLHDJCAZAH-UCQKPKSFSA-N
BMGC_DG17716,BMG_DG220234,CN[C@H]1CN(C[C@@H]1OC)C2=NC3=C(C=C2)C(=O)C(=CN3C4=NC=CS4)C(=O)O,CO[C@@H]1[C@H](CN(C1)c2nc3c(cc2)c(c(cn3-c4nccs4)C(O)=O)=O)NC,"InChI=1S/C18H19N5O4S/c1-19-12-8-22(9-13(12)27-2)14-4-3-10-15(24)11(17(25)26)7-23(16(10)21-14)18-20-5-6-28-18/h3-7,12-13,19H,8-9H2,1-2H3,(H,25,26)/t12-,13-/m0/s1",XZAFZXJXZHRNAQ-STQMWFEESA-N
BMGC_DG17717,BMG_DG220236,CCCCCCCCCCCCCCCCOC1=NC2=C(C=C(C=C2)C)C(=O)O1,CCCCCCCCCCCCCCCCOc1nc2c(c(o1)=O)cc(cc2)C,"InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3",MVCQKIKWYUURMU-UHFFFAOYSA-N
BMGC_DG17718,BMG_DG220237,,S(NC(NC1CCCCC1)=O)(c2cc3CCCc3cc2)(=O)=O,,NFRPNQDSKJJQGV-UHFFFAOYSA-N
BMGC_DG17719,BMG_DG220240,C1CC(CCC1NC2=NC(=NC3=C2C=CN3)C4=CC=CC=C4)O,c1(nc(c2cc[nH]c2n1)N[C@@H]3CC[C@H](CC3)O)-c4ccccc4,"InChI=1S/C18H20N4O/c23-14-8-6-13(7-9-14)20-18-15-10-11-19-17(15)21-16(22-18)12-4-2-1-3-5-12/h1-5,10-11,13-14,23H,6-9H2,(H2,19,20,21,22)",RBZNJGHIKXAKQE-UHFFFAOYSA-N;RBZNJGHIKXAKQE-HDJSIYSDSA-N
BMGC_DG17720,BMG_DG220244,,Cc1cc2c(cc1)[nH]c3c2CCNC3Cc4c(c(c(cc4)OC)OC)Cl,,NJLHHCITDFZZSE-UHFFFAOYSA-N
BMGC_DG17721,BMG_DG220247,,C(C(=O)O)(C(c1ccccc1)(OC)c2ccccc2)Oc3nc(OC)cc(n3)OC,,FEJVSJIALLTFRP-UHFFFAOYSA-N
BMGC_DG17722,BMG_DG220254,,c1(ccc(cc1)NCc2nc3c(n2C)ccc(c3)C4(CC4)C(=O)N5CCCC5)C(=N)N,,HGNSKHRWYAJRBQ-UHFFFAOYSA-N
BMGC_DG17723,BMG_DG220263,C[C@@H]1C(=O)NC2=C(O1)C(=CC=C2)N3CCN(CC3)CCCC4=CNC5=C4C=C(C=C5)F,c1c2c(c(cc1)N3CCN(CC3)CCCc4c5c([nH]c4)ccc(c5)F)O[C@@H](C(N2)=O)C,"InChI=1S/C24H27FN4O2/c1-16-24(30)27-21-5-2-6-22(23(21)31-16)29-12-10-28(11-13-29)9-3-4-17-15-26-20-8-7-18(25)14-19(17)20/h2,5-8,14-16,26H,3-4,9-13H2,1H3,(H,27,30)/t16-/m1/s1",SDAMYSWGWHXMRT-MRXNPFEDSA-N
BMGC_DG17724,BMG_DG220264,,C(=O)(N1CCOCC1)c2ccc(cc2)-c3ccc(cc3)OCCCN4[C@@H](CC[C@H]4C)C,,CFUHKRLMDNFZED-NHCUHLMSSA-N
BMGC_DG17725,BMG_DG220267,,[C@@]12(CC[C@]3([C@]([C@@]1(CC=C4[C@]2(C)CC[C@@H](C4)OCCN(CC)CC)[H])(CCC3=O)[H])C)[H],,DMZCCFMMPHJWQY-BKWLFHPQSA-N
BMGC_DG17726,BMG_DG220287,,,,
BMGC_DG17727,BMG_DG220288,C1=C2C(=NC(=N1)N)N=CN2,c12c(nc(N)nc1)nc[nH]2,"InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)",MWBWWFOAEOYUST-UHFFFAOYSA-N
BMGC_DG17728,BMG_DG220292,,N1C[C@@H](OCC1)COc2cccc3C=C(COc32)CN4CCOCC4,,RTKDBEOSPDFLGD-QGZVFWFLSA-N
BMGC_DG17729,BMG_DG220294,C[N+](C)(CCNC1=C2C(=C(C=C1)NCC[N+](C)(C)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)O)[O-],c1c(c2C(c3c(C(c2c(O)c1)=O)c(ccc3NCC[N+](C)([O-])C)NCC[N+]([O-])(C)C)=O)O,"InChI=1S/C22H28N4O6/c1-25(2,31)11-9-23-13-5-6-14(24-10-12-26(3,4)32)18-17(13)21(29)19-15(27)7-8-16(28)20(19)22(18)30/h5-8,23-24,27-28H,9-12H2,1-4H3",YZBAXVICWUUHGG-UHFFFAOYSA-N
BMGC_DG17730,BMG_DG220304,,[C@@H]1(CC(=O)O)Cc2ccc(OCCCNc3ncccc3)cc2CN(CC(F)(F)F)C1=O,,PVDGZHKJXXVONO-INIZCTEOSA-N
BMGC_DG17731,BMG_DG220305,,N1([C@@H](CCC1)C(=O)SCCC(c2ccccc2)c3ccccc3)C(C(C(CC)(C)C)=O)=O,,APNOXCGIEGKCFC-QHCPKHFHSA-N
BMGC_DG17732,BMG_DG220307,C1=CC=NC(=C1)C(CNC2=NC=C(N(C2=O)CC(=O)NCC3=C(C=CC=N3)F)Cl)(F)F,Fc1c(CNC(Cn2c(Cl)cnc(NCC(c3ccccn3)(F)F)c2=O)=O)nccc1,"InChI=1S/C19H16ClF3N6O2/c20-15-9-27-17(28-11-19(22,23)14-5-1-2-6-25-14)18(31)29(15)10-16(30)26-8-13-12(21)4-3-7-24-13/h1-7,9H,8,10-11H2,(H,26,30)(H,27,28)",AATHXZYXWMKUFC-UHFFFAOYSA-N
BMGC_DG17733,BMG_DG220308,,c1(c(C(NCc2c(cc(O[C@@H](C(=O)O)C)cc2)F)=O)cccn1)Oc3cc4OCOc4cc3,,CNIGFESSDPOCKS-CYBMUJFWSA-N
BMGC_DG17734,BMG_DG220310,,C(CCOc1ccc(C(N)=N)cc1)CCOc2ccc(cc2OC)C(=O)N(C(C)C)C(C)C,,VAYJLOGCWOXMAS-UHFFFAOYSA-N
BMGC_DG17735,BMG_DG220316,C(CSC[C@@H](C(=O)O)N)N,[C@H](CSCCN)(C(O)=O)N,"InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",GHSJKUNUIHUPDF-BYPYZUCNSA-N
BMGC_DG17736,BMG_DG220317,,[C@@H](c1cccc(NC(=O)NCC)c1)(c2ccc(OC)c(OC3CCCC3)c2)Cc4ccncc4,,XBBWPKPECQYWAW-RUZDIDTESA-N
BMGC_DG17737,BMG_DG220326,CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N,C(c1ccc(nc1)NCCNc2nc(c(cn2)-c3nc(c[nH]3)C)-c4c(cc(cc4)Cl)Cl)#N,"InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)",AQGNHMOJWBZFQQ-UHFFFAOYSA-N
BMGC_DG17738,BMG_DG220327,,O[C@@H]1[C@H](Cc2cccc(C(=O)O)c2)COc3ccc(OCc4nc5cc(F)ccc5s4)cc31,,RYSLZFOZDSIPHK-VOIUYBSRSA-N
BMGC_DG17739,BMG_DG220328,C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](C(C)C)NC(=O)[C@H]3CC4=C(CN3)C=C(C=C4)O,Oc1ccc2c(c1)CN[C@H](C2)C(=O)N[C@H](CN3C[C@@H]([C@](CC3)(C)c4cc(ccc4)O)C)C(C)C,"InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1",ZLVXBBHTMQJRSX-VMGNSXQWSA-N
BMGC_DG17740,BMG_DG220331,CN1C=NC2=C1C(=O)N(C(=O)N2C)CC#C,c12c(c(=O)n(c(n1C)=O)CC#C)n(C)cn2,"InChI=1S/C10H10N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h1,6H,5H2,2-3H3",IORPOFJLSIHJOG-UHFFFAOYSA-N
BMGC_DG17741,BMG_DG220341,CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NCC3=CC=C(C=C3)OC(C)(C)C(=O)O,s1c(C(=O)NCc2ccc(cc2)OC(C)(C)C(O)=O)c(C)nc1-c3ccc(cc3)C(F)(F)F,"InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31)",ILUPZUOBHCUBKB-UHFFFAOYSA-N
BMGC_DG17742,BMG_DG220344,,CC1=C(C(C(=C(C)N1)C(=O)OCCN(C)Cc2ccccc2)c3ccccc3[N+](=O)[O-])C(=O)OC,,JENXDACXQSXYRY-UHFFFAOYSA-N
BMGC_DG17743,BMG_DG220348,,c1(c(ccc(n1CC(=O)NCc2c(nc(cc2)N)C)CCC)NS(=O)(=O)Cc3ccccc3)=O,,UBCBHGGCRITWCL-UHFFFAOYSA-N
BMGC_DG17744,BMG_DG220352,,,,
BMGC_DG17745,BMG_DG220353,CC(C)N(CCNC(=O)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2O)OC)OC)C(C)C.Cl,n1c(csc1NC(c2cc(c(OC)cc2O)OC)=O)C(=O)NCCN(C(C)C)C(C)C.Cl,"InChI=1S/C21H30N4O5S.ClH/c1-12(2)25(13(3)4)8-7-22-20(28)15-11-31-21(23-15)24-19(27)14-9-17(29-5)18(30-6)10-16(14)26;/h9-13,26H,7-8H2,1-6H3,(H,22,28)(H,23,24,27);1H",VQEKQYLTAIVCBW-UHFFFAOYSA-N
BMGC_DG17746,BMG_DG220357,,CCCCCCCCCCCC(=O)c1c(O)c(C(=O)CCCCCCCCCCC)c(O)cc1O,,AIKYCZDMJFKXLS-UHFFFAOYSA-N
BMGC_DG17747,BMG_DG220359,,C1(CC1)C(=O)O[C@]2([C@H](c3ccc(cc3CC2)F)C(C)C)CCN(C)CCCc4nc5c([nH]4)cccc5,,VHHVPDKNKPNKHY-JDXGNMNLSA-N
BMGC_DG17748,BMG_DG220373,CC1=CC(=C(C=C1)O)O,c1(c(ccc(c1)C)O)O,"InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3",ZBCATMYQYDCTIZ-UHFFFAOYSA-N
BMGC_DG17749,BMG_DG220377,,c1c(ccc2ccccc12)S(=O)(=O)NN(C(=O)N3CCCCCC3)Cc4cc(ccc4)C(=N)N,,CEAMGXQGUYMUIE-UHFFFAOYSA-N
BMGC_DG17750,BMG_DG220381,,[C@H]1([C@@H](C(=O)NC)O[C@@H](n2c3c(c(ncn3)NCc4cc(c(cc4)N)I)nc2)[C@@H]1O)O,,LOGOEBMHHXYBID-MOROJQBDSA-N
BMGC_DG17751,BMG_DG220411,,C(Nc1cc(cc(c1)C(C)Nc2cc(cc(n2)CCc3sc(c(n3)C)CC)N4CCOCC4)Cl)(=O)OC(C)C,,AZGZXUZMWKHDDH-UHFFFAOYSA-N
BMGC_DG17752,BMG_DG220417,C1=CC=C(C=C1)O,c1ccc(cc1)O,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",ISWSIDIOOBJBQZ-UHFFFAOYSA-N
BMGC_DG17753,BMG_DG220419,,N1(C=Nc2c(C1)cc(cc2)C(C)C)c3ccc(cc3)C(C)C,,HPYGVQVYBLTAJP-UHFFFAOYSA-N
BMGC_DG17754,BMG_DG220429,CC(C)(CN1C2=C(C=C(C=C2)Cl)[C@H](O[C@@H](C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OC)CO,CC(C)(CN1c2ccc(cc2[C@@H](c3cccc(c3OC)OC)O[C@H](CC(=O)N4CCC(CC4)CC(=O)O)C1=O)Cl)CO,"InChI=1S/C31H39ClN2O8/c1-31(2,18-35)17-34-23-9-8-20(32)15-22(23)28(21-6-5-7-24(40-3)29(21)41-4)42-25(30(34)39)16-26(36)33-12-10-19(11-13-33)14-27(37)38/h5-9,15,19,25,28,35H,10-14,16-18H2,1-4H3,(H,37,38)/t25-,28-/m1/s1",HDGUKVZPMPJBFK-LEAFIULHSA-N
BMGC_DG17755,BMG_DG220435,CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=O)NC(=O)OCC1=CC=CC=C1,,"InChI=1S/C32H50N4O8/c1-9-21(4)27(36-31(42)43-19-23-13-11-10-12-14-23)30(41)35-25(15-16-26(38)44-32(6,7)8)29(40)33-22(5)28(39)34-24(18-37)17-20(2)3/h10-14,18,20-22,24-25,27H,9,15-17,19H2,1-8H3,(H,33,40)(H,34,39)(H,35,41)(H,36,42)/t21-,22-,24-,25-,27-/m0/s1",TYFTWYMXUWCOOB-YICLCXKGSA-N
BMGC_DG17756,BMG_DG220436,CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O,,"InChI=1S/C22H28O2.C20H24O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2;1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h2,12,17-20,24H,3-4,6-11,13H2,1H3;1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t17-,18-,19-,20+,21-,22-;16-,17-,18+,19+,20+/m01/s1",MXDOOIVQXATHKU-RYVPXURESA-N
BMGC_DG17757,BMG_DG220445,CO/N=C(/C1=CC=C(C=C1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3=CC(=CC(=C3)Cl)OC(F)F)O)\N,N(Cc1ccc(C(=N)NOC)cc1)C([C@@H]2CCN2C(=O)[C@@H](c3cc(OC(F)F)cc(Cl)c3)O)=O,"InChI=1S/C22H23ClF2N4O5/c1-33-28-19(26)13-4-2-12(3-5-13)11-27-20(31)17-6-7-29(17)21(32)18(30)14-8-15(23)10-16(9-14)34-22(24)25/h2-5,8-10,17-18,22,30H,6-7,11H2,1H3,(H2,26,28)(H,27,31)/t17-,18+/m0/s1",XSNMGLZVFNDDPW-ZWKOTPCHSA-N
BMGC_DG17758,BMG_DG220453,,C([C@@]1(O[C@H](COc2ccc(cc2)N3CCN(CC3)c4ccc(cc4)-n5c(=O)n([C@@H](CC)C)nc5)CO1)c6c(Cl)cc(Cl)cc6)n7cncn7,,VHVPQPYKVGDNFY-DKYCYSLVSA-N
BMGC_DG17759,BMG_DG220454,,C([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@@H](NC(=O)Cc2ccc(cc2)NC(=O)Nc3c(cccc3)C)CC(C)C)=O)CC(=O)O)=O)C(C)C)=O)(=O)O,,NVVGCQABIHSJSQ-KFZSMJGVSA-N
BMGC_DG17760,BMG_DG220458,,c12c(c(n(C)c(n1C)=O)=O)n(CCN)cn2,,XUTQHTZFMFGXDJ-UHFFFAOYSA-N
BMGC_DG17761,BMG_DG220469,,N1CC(Cc2cc(cc(c12)S(=O)(=O)N[C@H](C(=O)N3CCC(CC3)CCF)Cc4sc5c(n4)cccc5)CCC(=O)N6CCN(CC6)CC(=O)N7CCOCC7)(C)C,,NGSSXFJBDKWOIB-XIFFEERXSA-N
BMGC_DG17762,BMG_DG220473,C1[C@H](CN([C@@H]1CNC(=O)C2=CC=C(C=C2)/C=C/3\C(=O)NC(=O)S3)C(=O)C4=CC=CC=C4C(=O)C5=C(C=C(C=C5)F)F)SC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8,,"InChI=1S/C49H37F2N3O5S2/c50-36-24-25-41(42(51)27-36)44(55)39-18-10-11-19-40(39)47(58)54-30-38(28-37(54)29-52-45(56)32-22-20-31(21-23-32)26-43-46(57)53-48(59)60-43)61-49(33-12-4-1-5-13-33,34-14-6-2-7-15-34)35-16-8-3-9-17-35/h1-27,37-38H,28-30H2,(H,52,56)(H,53,57,59)/b43-26+/t37-,38+/m0/s1",XSCZRVUQXBBTRO-MKNPRXRUSA-N
BMGC_DG17763,BMG_DG220475,CC1=C(C(=C(C(=C1O)OC)OC)O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C,c1(c(c(c(c(c1C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)O)OC)OC)O,"InChI=1S/C59H92O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42,60-61H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+",QNTNKSLOFHEFPK-UPTCCGCDSA-N
BMGC_DG17764,BMG_DG220487,CN(C)C(=O)COC1=CC2=C(CC[C@@H](C2)NC[C@@H](C3=CC(=C(C=C3)O)CCO)O)C=C1,c1(c(cc([C@H](CN[C@@H]2Cc3c(CC2)ccc(c3)OCC(N(C)C)=O)O)cc1)CCO)O,"InChI=1S/C24H32N2O5/c1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27/h4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3/t20-,23-/m0/s1",OANCEOSLKSTLTA-REWPJTCUSA-N
BMGC_DG17765,BMG_DG220491,COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(CCCC3=CN=CC=C3)CCCC4=CN=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,N1([C@@H](CCCC1)C(=O)OC(CCCc2cnccc2)CCCc3cnccc3)C(=O)C(c4cc(c(c(c4)OC)OC)OC)=O.C(C(CC(=O)O)(C(=O)O)O)C(=O)O.C(C(CC(=O)O)(C(=O)O)O)C(=O)O,"InChI=1S/C34H41N3O7.2C6H8O7/c1-41-29-20-26(21-30(42-2)32(29)43-3)31(38)33(39)37-19-5-4-16-28(37)34(40)44-27(14-6-10-24-12-8-17-35-22-24)15-7-11-25-13-9-18-36-23-25;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,12-13,17-18,20-23,27-28H,4-7,10-11,14-16,19H2,1-3H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t28-;;/m0../s1",VDMKJSJJXQDICL-ZXVJYWQYSA-N
BMGC_DG17766,BMG_DG220503,C[C@H](CCCC(C)(C)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24?,25+,27-/m1/s1",GMRQFYUYWCNGIN-QWVHEKJESA-N
BMGC_DG17767,BMG_DG220525,,Nc1nc(-c2ccco2)c3sccc3n1,,ARPSUXKIHNZLQL-UHFFFAOYSA-N
BMGC_DG17768,BMG_DG220557,,c1cncc(c1)-c2nc(ncc2)Nc3cc(ccc3C)N,,QGAIPGVQJVGBIA-UHFFFAOYSA-N
BMGC_DG17769,BMG_DG220568,CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C,c1(Sc2c(cccc2)N3CCNCC3)ccc(cc1C)C,"InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3",YQNWZWMKLDQSAC-UHFFFAOYSA-N
BMGC_DG17770,BMG_DG220571,,n1cnc2c(c1N([C@@H]3CN(CC[C@H]3C)C(CC#N)=O)C)cc[nH]2,,UJLAWZDWDVHWOW-DGCLKSJQSA-N
BMGC_DG17771,BMG_DG220586,C[C@H]1CCC[C@@H](N1C)/C=C/[C@H]2[C@@H]3CCCC[C@@H]3C[C@H]4[C@@H]2[C@@H](OC4=O)C,,"InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18+,19-,20-,21+/m0/s1",FMPNFDSPHNUFOS-YOASDKSVSA-N
BMGC_DG17772,BMG_DG220596,,,,
BMGC_DG17773,BMG_DG220602,,,,
BMGC_DG17774,BMG_DG220604,C1=CC=C(C=C1)CC(=O)C(=O)O,C(C(Cc1ccccc1)=O)(=O)O,"InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)",BTNMPGBKDVTSJY-UHFFFAOYSA-N
BMGC_DG17775,BMG_DG220605,C1CN2CCC1[C@@H](C2)NC(=O)C3=NNC4=CC=CC=C43,N([C@H]1C2CCN(CC2)C1)C(c3c4ccccc4[nH]n3)=O,"InChI=1S/C15H18N4O/c20-15(14-11-3-1-2-4-12(11)17-18-14)16-13-9-19-7-5-10(13)6-8-19/h1-4,10,13H,5-9H2,(H,16,20)(H,17,18)/t13-/m1/s1",TXCYUSKWBHUVEP-CYBMUJFWSA-N
BMGC_DG17776,BMG_DG220606,C1=CSC(=C1)C(=O)C2=C(C(=C(C=C2)O)Cl)Cl,c1(c(c(Cl)c(cc1)O)Cl)C(c2sccc2)=O,"InChI=1S/C11H6Cl2O2S/c12-9-6(3-4-7(14)10(9)13)11(15)8-2-1-5-16-8/h1-5,14H",PPDIALCNVFLTST-UHFFFAOYSA-N
BMGC_DG17777,BMG_DG220614,,C(=O)(c1cn(cc1)CCCCC)c2cccc3ccccc23,,VPBJQDBKZSHCPC-UHFFFAOYSA-N
BMGC_DG17778,BMG_DG220615,,n-12c(CN(C(c3c1ccc(c3)Cl)=O)C)c(nc2)COC,,FXIDXTIMKAEBGY-UHFFFAOYSA-N
BMGC_DG17779,BMG_DG220626,,C(OC)(=O)[C@H]1[C@H](C[C@H]2N([C@@H]1CC2)C)c3ccc(c(c3)C)Cl,,VMITZEMDDZVHBZ-XNISGKROSA-N
BMGC_DG17780,BMG_DG220629,,C(OC1CCC1)(=O)[C@H]2[C@H](C[C@H]3N([C@@H]2CC3)C)c4ccc(cc4)C,,LBLVIDUIWXYVNG-AITUJVMLSA-N
BMGC_DG17781,BMG_DG220637,C1COP(=O)(NC1O)N(CCCl)CCCl,P1(NC(O)CCO1)(N(CCCl)CCCl)=O,"InChI=1S/C7H15Cl2N2O3P/c8-2-4-11(5-3-9)15(13)10-7(12)1-6-14-15/h7,12H,1-6H2,(H,10,13)",RANONBLIHMVXAJ-UHFFFAOYSA-N
BMGC_DG17782,BMG_DG220642,CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2O)C3=CC=CC=C3,S(c1ccc(C2=C(C(=O)OC2O)c3ccccc3)cc1)(=O)(=O)C,"InChI=1S/C17H14O5S/c1-23(20,21)13-9-7-12(8-10-13)15-14(16(18)22-17(15)19)11-5-3-2-4-6-11/h2-10,17,19H,1H3",NCBVUSNBLYMFPP-UHFFFAOYSA-N
BMGC_DG17783,BMG_DG220652,C1CCN(CC1)C(=O)/C=C/CCCC/C=C/C2=CC3=C(C=C2)OCO3,,"InChI=1S/C21H27NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h6-7,10-13,16H,1-5,8-9,14-15,17H2/b10-6+,11-7+",PKLGRWSJBLGIBF-JMQWPVDRSA-N
BMGC_DG17784,BMG_DG220661,C1=CC(=CC=C1C2=CC=[N+](C=C2)CCCC(=O)C3=CC=C(C=C3)F)Cl,c1(cc[n+](cc1)CCCC(c2ccc(cc2)F)=O)-c3ccc(cc3)Cl,"InChI=1S/C21H18ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-12,14-15H,1-2,13H2/q+1",KAPIKUHBALFONG-UHFFFAOYSA-N
BMGC_DG17785,BMG_DG220666,,C(Nc1ncccc1)(NC2CCCCC2)=O,,OXPBPFDDWFFDNE-UHFFFAOYSA-N
BMGC_DG17786,BMG_DG220675,C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)OC4=NC=C(C=C4)N5CCCC5=O,C1(N(CCC1)c2cnc(Oc3ccc4c(CCN(CC4)C5CCC5)c3)cc2)=O,"InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2",YFRBKEVUUCQYOW-UHFFFAOYSA-N
BMGC_DG17787,BMG_DG220684,,,,
BMGC_DG17788,BMG_DG220685,,,,
BMGC_DG17789,BMG_DG220686,COC(=O)CCC=C=CC[C@H]1[C@@H]([C@H](CC1=O)O)/C=C/[C@@H](COC2=CC=CC=C2)O,C1(C[C@H](O)[C@H]([C@@H]1CC=C=CCCC(=O)OC)/C=C/[C@@H](COc2ccccc2)O)=O,"InChI=1S/C23H28O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-20,22,24,26H,8,11-12,15-16H2,1H3/b14-13+/t2?,17-,19-,20-,22-/m0/s1",PTOJVMZPWPAXER-FPXSIRDUSA-N
BMGC_DG17790,BMG_DG220699,C1=CC=C(C=C1)CC=O,O=CCc1ccccc1,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",DTUQWGWMVIHBKE-UHFFFAOYSA-N
BMGC_DG17791,BMG_DG220700,CC(=O)OCC(=O)[C@]1(C(=C)C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O,[C@]12([C@]([C@@]3(CCC=4[C@@]([C@]3([C@H](C1)O)F)(C=CC(C4)=O)C)[H])(CC([C@@]2(C(COC(=O)C)=O)O)=C)[H])C,"InChI=1S/C24H29FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,17-19,28,30H,1,5-6,9,11-12H2,2-4H3/t17-,18-,19-,21-,22-,23-,24-/m0/s1",DEFOZIFYUBUHHU-IYQKUMFPSA-N
BMGC_DG17792,BMG_DG220708,C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)O)O,,"InChI=1S/C26H19N3O5/c1-25-26(33,24(31)32)10-17(34-25)28-15-8-4-2-6-12(15)19-20-14(11-27-23(20)30)18-13-7-3-5-9-16(13)29(25)22(18)21(19)28/h2-9,17,33H,10-11H2,1H3,(H,27,30)(H,31,32)/t17-,25+,26+/m1/s1",AMSOPBXQXSAAAC-PLZPTFKGSA-N
BMGC_DG17793,BMG_DG220709,C[C@]12[C@@](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)O)O,,"InChI=1S/C26H19N3O5/c1-25-26(33,24(31)32)10-17(34-25)28-15-8-4-2-6-12(15)19-20-14(11-27-23(20)30)18-13-7-3-5-9-16(13)29(25)22(18)21(19)28/h2-9,17,33H,10-11H2,1H3,(H,27,30)(H,31,32)/t17-,25+,26+/m0/s1",AMSOPBXQXSAAAC-RBWOYHBQSA-N
BMGC_DG17794,BMG_DG220710,CCN(CC1=CN=CC=C1)C(=O)CN(C2=CN=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3C,CCN(Cc1cnccc1)C(=O)CN(c2cnc(cc2)OC)S(=O)(=O)c3ccccc3C,"InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3",KJPHTXTWFHVJIG-UHFFFAOYSA-N
BMGC_DG17795,BMG_DG220713,,C[C@]1(O)[C@@]2(O[C@@]3([C@]1([C@]4(C)[C@@](C3)([C@]5([C@]([C@@H](O)C4)([C@]6(C)[C@@](CC5)(C[C@H](O)CC6)[H])[H])[H])[H])[H])[H])C[C@H](C)C(C)(C)O2,,HPHXKNOXVBFETI-SHCCRYCOSA-N
BMGC_DG17796,BMG_DG220716,CCNC(C)CC1=CC=CC=C1,N(C(Cc1ccccc1)C)CC,"InChI=1S/C11H17N/c1-3-12-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3",YAGBSNMZQKEFCO-UHFFFAOYSA-N
BMGC_DG17797,BMG_DG220752,,Oc1c(Br)c(Br)c(Br)c(Br)c1Oc2ccc(Br)cc2Br,,LDMKXEGTHGJWLG-UHFFFAOYSA-N
BMGC_DG17798,BMG_DG220773,[O-2].[O-2].[O-2].[Al+3].[Al+3],[Al+3].[O-2].[Al+3].[O-2].[O-2],InChI=1S/2Al.3O/q2*+3;3*-2,PNEYBMLMFCGWSK-UHFFFAOYSA-N
BMGC_DG17799,BMG_DG220775,,c1cc(ccn1)Cc2cnc[nH]2,,DFVSGZHJSIEEQQ-UHFFFAOYSA-N
BMGC_DG17800,BMG_DG220782,C1=CC=C(C=C1)CC(=O)O,c1ccc(cc1)CC(=O)O,"InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",WLJVXDMOQOGPHL-UHFFFAOYSA-N
BMGC_DG17801,BMG_DG220784,,c1ccc(CCCCc2cnc[nH]2)cc1,,BQTXNCXSCSNHGA-UHFFFAOYSA-N
BMGC_DG17802,BMG_DG220796,,,,
BMGC_DG17803,BMG_DG220812,,NS(=O)(=O)c1ccc(Nc2cncc(Cl)n2)cc1,,RSNSGNZRUMHXAY-UHFFFAOYSA-N
BMGC_DG17804,BMG_DG220816,,C(Cc1c(cccc1)N)(O)(P(O)(O)=O)P(O)(O)=O,,VJXYJONFUZXZJZ-UHFFFAOYSA-N
BMGC_DG17805,BMG_DG220817,,O=C(CCCc1ccccc1)Nc2ccc(C(=O)NO)cc2,,VZROKPBSFBHVTL-UHFFFAOYSA-N
BMGC_DG17806,BMG_DG220818,C1=CC(=CC=C1CCNC(=O)/C=C/C2=CC(=C(C=C2)O)O)O,c1c(ccc(c1)CCNC(=O)/C=C/c2cc(c(cc2)O)O)O,"InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+",VSHUQLRHTJOKTA-XBXARRHUSA-N
BMGC_DG17807,BMG_DG220827,,[nH]1c(cc2cc(ccc12)C#N)CN3CCN(CC3)c4ccccc4,,TWVIJESEEXGVPP-UHFFFAOYSA-N
BMGC_DG17808,BMG_DG220830,C1CC1(C2=CC(=C(C=C2)C3=CC(=C(C=C3)Cl)Cl)F)C(=O)O,C1(CC1)(C(=O)O)c2cc(c(cc2)-c3cc(c(cc3)Cl)Cl)F,"InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)",LIYLTQQDABRNRX-UHFFFAOYSA-N
BMGC_DG17809,BMG_DG220840,,,,
BMGC_DG17810,BMG_DG220843,,c1cnccc1C2NC(CS2)C(=O)O,,IYYUJCKJSSPXQQ-UHFFFAOYSA-N
BMGC_DG17811,BMG_DG220850,,O=C(O)c1ccc(-c2cc3cccnc3c(-c4cccc([N+](=O)[O-])c4)n2)cc1,,QTNUWEKKZHSUQO-UHFFFAOYSA-N
BMGC_DG17812,BMG_DG220851,,C(C)(C)(C)c1n2c(ccc(c2)-c3c(nco3)-c4c(F)cc(F)c(F)c4)nn1,,VNZJNPIWZYMGAO-UHFFFAOYSA-N
BMGC_DG17813,BMG_DG220869,,,,
BMGC_DG17814,BMG_DG221035,,,,
BMGC_DG17815,BMG_DG221036,,,,
BMGC_DG17816,BMG_DG221037,,,,
BMGC_DG17817,BMG_DG221038,,,,
BMGC_DG17818,BMG_DG221788,,,,
BMGC_DG17819,BMG_DG221945,,,,
BMGC_DG17820,BMG_DG222063,,,,
BMGC_DG17821,BMG_DG222252,,,,
BMGC_DG17822,BMG_DG222289,,,,
BMGC_DG17823,BMG_DG222290,,,,
BMGC_DG17824,BMG_DG222292,,,,
BMGC_DG17825,BMG_DG222293,,,,
BMGC_DG17826,BMG_DG222295,,,,
BMGC_DG17827,BMG_DG222296,,,,
BMGC_DG17828,BMG_DG222297,,,,
BMGC_DG17829,BMG_DG222299,,,,
BMGC_DG17830,BMG_DG222300,,,,
BMGC_DG17831,BMG_DG222301,,,,
BMGC_DG17832,BMG_DG222303,,,,
BMGC_DG17833,BMG_DG222305,,,,
BMGC_DG17834,BMG_DG222306,,,,
BMGC_DG17835,BMG_DG222308,,,,
BMGC_DG17836,BMG_DG222309,,,,
BMGC_DG17837,BMG_DG222311,,,,
BMGC_DG17838,BMG_DG222312,,,,
BMGC_DG17839,BMG_DG222313,,,,
BMGC_DG17840,BMG_DG222314,,,,
BMGC_DG17841,BMG_DG222316,,,,
BMGC_DG17842,BMG_DG222319,,,,
BMGC_DG17843,BMG_DG222320,,,,
BMGC_DG17844,BMG_DG222321,,,,
BMGC_DG17845,BMG_DG222323,,,,
BMGC_DG17846,BMG_DG222327,,,,
BMGC_DG17847,BMG_DG222330,,,,
BMGC_DG17848,BMG_DG222332,,,,
BMGC_DG17849,BMG_DG222335,,,,
BMGC_DG17850,BMG_DG222336,,,,
BMGC_DG17851,BMG_DG222339,,,,
BMGC_DG17852,BMG_DG222340,,,,
BMGC_DG17853,BMG_DG222341,,,,
BMGC_DG17854,BMG_DG222343,,,,
BMGC_DG17855,BMG_DG222344,,,,
BMGC_DG17856,BMG_DG222345,,,,
BMGC_DG17857,BMG_DG222349,,,,
BMGC_DG17858,BMG_DG222350,,,,
BMGC_DG17859,BMG_DG222353,,,,
BMGC_DG17860,BMG_DG222354,,,,
BMGC_DG17861,BMG_DG222355,,,,
BMGC_DG17862,BMG_DG222357,,,,
BMGC_DG17863,BMG_DG222359,,,,
BMGC_DG17864,BMG_DG222360,,,,
BMGC_DG17865,BMG_DG222361,,,,
BMGC_DG17866,BMG_DG222362,,,,
BMGC_DG17867,BMG_DG222363,,,,
BMGC_DG17868,BMG_DG222365,,,,
BMGC_DG17869,BMG_DG222373,,,,
BMGC_DG17870,BMG_DG222375,,,,
BMGC_DG17871,BMG_DG222376,,,,
BMGC_DG17872,BMG_DG222378,,,,
BMGC_DG17873,BMG_DG222379,,,,
BMGC_DG17874,BMG_DG222380,,,,
BMGC_DG17875,BMG_DG222381,,,,
BMGC_DG17876,BMG_DG222382,,,,
BMGC_DG17877,BMG_DG222385,,,,
BMGC_DG17878,BMG_DG222388,,,,
BMGC_DG17879,BMG_DG222389,,,,
BMGC_DG17880,BMG_DG222391,,,,
BMGC_DG17881,BMG_DG222392,,,,
BMGC_DG17882,BMG_DG222393,,,,
BMGC_DG17883,BMG_DG222394,,,,
BMGC_DG17884,BMG_DG222395,,,,
BMGC_DG17885,BMG_DG222398,,,,
BMGC_DG17886,BMG_DG222399,,,,
BMGC_DG17887,BMG_DG222403,,,,
BMGC_DG17888,BMG_DG222406,,,,
BMGC_DG17889,BMG_DG222407,,,,
BMGC_DG17890,BMG_DG222408,,,,
BMGC_DG17891,BMG_DG222410,,,,
BMGC_DG17892,BMG_DG222412,,,,
BMGC_DG17893,BMG_DG222413,,,,
BMGC_DG17894,BMG_DG222414,,,,
BMGC_DG17895,BMG_DG222416,,,,
BMGC_DG17896,BMG_DG222418,,,,
BMGC_DG17897,BMG_DG222420,,,,
BMGC_DG17898,BMG_DG222422,,,,
BMGC_DG17899,BMG_DG222423,,,,
BMGC_DG17900,BMG_DG222424,,,,
BMGC_DG17901,BMG_DG222426,,,,
BMGC_DG17902,BMG_DG222427,,,,
BMGC_DG17903,BMG_DG222429,,,,
BMGC_DG17904,BMG_DG222430,,,,
BMGC_DG17905,BMG_DG222432,,,,
BMGC_DG17906,BMG_DG222434,,,,
BMGC_DG17907,BMG_DG222436,,,,
BMGC_DG17908,BMG_DG222438,,,,
BMGC_DG17909,BMG_DG222441,,,,
BMGC_DG17910,BMG_DG222442,,,,
BMGC_DG17911,BMG_DG222444,,,,
BMGC_DG17912,BMG_DG222449,,,,
BMGC_DG17913,BMG_DG222455,,,,
BMGC_DG17914,BMG_DG222456,,,,
BMGC_DG17915,BMG_DG222458,,,,
BMGC_DG17916,BMG_DG222460,,,,
BMGC_DG17917,BMG_DG222461,,,,
BMGC_DG17918,BMG_DG222462,,,,
BMGC_DG17919,BMG_DG222463,,,,
BMGC_DG17920,BMG_DG222466,,,,
BMGC_DG17921,BMG_DG222467,,,,
BMGC_DG17922,BMG_DG222468,,,,
BMGC_DG17923,BMG_DG222469,,,,
BMGC_DG17924,BMG_DG222470,,,,
BMGC_DG17925,BMG_DG222471,,,,
BMGC_DG17926,BMG_DG222472,,,,
BMGC_DG17927,BMG_DG222473,,,,
BMGC_DG17928,BMG_DG222474,,,,
BMGC_DG17929,BMG_DG222475,,,,
BMGC_DG17930,BMG_DG222476,,,,
BMGC_DG17931,BMG_DG222478,,,,
BMGC_DG17932,BMG_DG222479,,,,
BMGC_DG17933,BMG_DG222480,,,,
BMGC_DG17934,BMG_DG222483,,,,
BMGC_DG17935,BMG_DG222485,,,,
BMGC_DG17936,BMG_DG222488,,,,
BMGC_DG17937,BMG_DG222489,,,,
BMGC_DG17938,BMG_DG222492,,,,
BMGC_DG17939,BMG_DG222494,,,,
BMGC_DG17940,BMG_DG222496,,,,
BMGC_DG17941,BMG_DG222497,,,,
BMGC_DG17942,BMG_DG222498,,,,
BMGC_DG17943,BMG_DG222500,,,,
BMGC_DG17944,BMG_DG222501,,,,
BMGC_DG17945,BMG_DG222502,,,,
BMGC_DG17946,BMG_DG222503,,,,
BMGC_DG17947,BMG_DG222504,,,,
BMGC_DG17948,BMG_DG222506,,,,
BMGC_DG17949,BMG_DG222509,,,,
BMGC_DG17950,BMG_DG222511,,,,
BMGC_DG17951,BMG_DG222512,,,,
BMGC_DG17952,BMG_DG222513,,,,
BMGC_DG17953,BMG_DG222514,,,,
BMGC_DG17954,BMG_DG222515,,,,
BMGC_DG17955,BMG_DG222516,,,,
BMGC_DG17956,BMG_DG222517,,,,
BMGC_DG17957,BMG_DG222519,,,,
BMGC_DG17958,BMG_DG222523,,,,
BMGC_DG17959,BMG_DG222524,,,,
BMGC_DG17960,BMG_DG222526,,,,
BMGC_DG17961,BMG_DG222528,,,,
BMGC_DG17962,BMG_DG222533,,,,
BMGC_DG17963,BMG_DG222535,,,,
BMGC_DG17964,BMG_DG222536,,,,
BMGC_DG17965,BMG_DG222538,,,,
BMGC_DG17966,BMG_DG222540,,,,
BMGC_DG17967,BMG_DG222542,,,,
BMGC_DG17968,BMG_DG222543,,,,
BMGC_DG17969,BMG_DG222545,,,,
BMGC_DG17970,BMG_DG222546,,,,
BMGC_DG17971,BMG_DG222548,,,,
BMGC_DG17972,BMG_DG222550,,,,
BMGC_DG17973,BMG_DG222552,,,,
BMGC_DG17974,BMG_DG222553,,,,
BMGC_DG17975,BMG_DG222554,,,,
BMGC_DG17976,BMG_DG222555,,,,
BMGC_DG17977,BMG_DG222558,,,,
BMGC_DG17978,BMG_DG222560,,,,
BMGC_DG17979,BMG_DG222561,,,,
BMGC_DG17980,BMG_DG222563,,,,
BMGC_DG17981,BMG_DG222566,,,,
BMGC_DG17982,BMG_DG222567,,,,
BMGC_DG17983,BMG_DG222568,,,,
BMGC_DG17984,BMG_DG222569,,,,
BMGC_DG17985,BMG_DG222570,,,,
BMGC_DG17986,BMG_DG222572,,,,
BMGC_DG17987,BMG_DG222574,,,,
BMGC_DG17988,BMG_DG222575,,,,
BMGC_DG17989,BMG_DG222577,,,,
BMGC_DG17990,BMG_DG222580,,,,
BMGC_DG17991,BMG_DG222582,,,,
BMGC_DG17992,BMG_DG222584,,,,
BMGC_DG17993,BMG_DG222585,,,,
BMGC_DG17994,BMG_DG222587,,,,
BMGC_DG17995,BMG_DG222588,,,,
BMGC_DG17996,BMG_DG222589,,,,
BMGC_DG17997,BMG_DG222590,,,,
BMGC_DG17998,BMG_DG222591,,,,
BMGC_DG17999,BMG_DG222592,,,,
BMGC_DG18000,BMG_DG222593,,,,
BMGC_DG18001,BMG_DG222594,,,,
BMGC_DG18002,BMG_DG222595,,,,
BMGC_DG18003,BMG_DG222596,,,,
BMGC_DG18004,BMG_DG222597,,,,
BMGC_DG18005,BMG_DG222598,,,,
BMGC_DG18006,BMG_DG222603,,,,
BMGC_DG18007,BMG_DG222604,,,,
BMGC_DG18008,BMG_DG222605,,,,
BMGC_DG18009,BMG_DG222607,,,,
BMGC_DG18010,BMG_DG222611,,,,
BMGC_DG18011,BMG_DG222612,,,,
BMGC_DG18012,BMG_DG222616,,,,
BMGC_DG18013,BMG_DG222617,,,,
BMGC_DG18014,BMG_DG222618,,,,
BMGC_DG18015,BMG_DG222619,,,,
BMGC_DG18016,BMG_DG222621,,,,
BMGC_DG18017,BMG_DG222622,,,,
BMGC_DG18018,BMG_DG222625,,,,
BMGC_DG18019,BMG_DG222627,,,,
BMGC_DG18020,BMG_DG222628,,,,
BMGC_DG18021,BMG_DG222629,,,,
BMGC_DG18022,BMG_DG222630,,,,
BMGC_DG18023,BMG_DG222631,,,,
BMGC_DG18024,BMG_DG222633,,,,
BMGC_DG18025,BMG_DG222634,,,,
BMGC_DG18026,BMG_DG222639,,,,
BMGC_DG18027,BMG_DG222640,,,,
BMGC_DG18028,BMG_DG222641,,,,
BMGC_DG18029,BMG_DG222644,,,,
BMGC_DG18030,BMG_DG222647,,,,
BMGC_DG18031,BMG_DG222648,,,,
BMGC_DG18032,BMG_DG222650,,,,
BMGC_DG18033,BMG_DG222656,,,,
BMGC_DG18034,BMG_DG222658,,,,
BMGC_DG18035,BMG_DG222659,,,,
BMGC_DG18036,BMG_DG222661,,,,
BMGC_DG18037,BMG_DG222662,,,,
BMGC_DG18038,BMG_DG222665,,,,
BMGC_DG18039,BMG_DG222668,,,,
BMGC_DG18040,BMG_DG222669,,,,
BMGC_DG18041,BMG_DG222671,,,,
BMGC_DG18042,BMG_DG222673,,,,
BMGC_DG18043,BMG_DG222674,,,,
BMGC_DG18044,BMG_DG222676,,,,
BMGC_DG18045,BMG_DG222692,,,,
BMGC_DG18046,BMG_DG222693,,,,
BMGC_DG18047,BMG_DG222702,,,,
BMGC_DG18048,BMG_DG222703,,,,
BMGC_DG18049,BMG_DG222704,,,,
BMGC_DG18050,BMG_DG222707,,,,
BMGC_DG18051,BMG_DG222712,,,,
BMGC_DG18052,BMG_DG222716,,,,
BMGC_DG18053,BMG_DG222719,,,,
BMGC_DG18054,BMG_DG222720,,,,
BMGC_DG18055,BMG_DG222721,,,,
BMGC_DG18056,BMG_DG222724,,,,
BMGC_DG18057,BMG_DG222725,,,,
BMGC_DG18058,BMG_DG222729,,,,
BMGC_DG18059,BMG_DG222730,,,,
BMGC_DG18060,BMG_DG222731,,,,
BMGC_DG18061,BMG_DG222733,,,,
BMGC_DG18062,BMG_DG222735,,,,
BMGC_DG18063,BMG_DG222739,,,,
BMGC_DG18064,BMG_DG222740,,,,
BMGC_DG18065,BMG_DG222743,,,,
BMGC_DG18066,BMG_DG222744,,,,
BMGC_DG18067,BMG_DG222747,,,,
BMGC_DG18068,BMG_DG222750,,,,
BMGC_DG18069,BMG_DG222751,,,,
BMGC_DG18070,BMG_DG222753,,,,
BMGC_DG18071,BMG_DG222754,,,,
BMGC_DG18072,BMG_DG222757,,,,
BMGC_DG18073,BMG_DG222758,,,,
BMGC_DG18074,BMG_DG222760,,,,
BMGC_DG18075,BMG_DG222761,,,,
BMGC_DG18076,BMG_DG222762,,,,
BMGC_DG18077,BMG_DG222764,,,,
BMGC_DG18078,BMG_DG222765,,,,
BMGC_DG18079,BMG_DG222766,,,,
BMGC_DG18080,BMG_DG222767,,,,
BMGC_DG18081,BMG_DG222768,,,,
BMGC_DG18082,BMG_DG222769,,,,
BMGC_DG18083,BMG_DG222772,,,,
BMGC_DG18084,BMG_DG222773,,,,
BMGC_DG18085,BMG_DG222774,,,,
BMGC_DG18086,BMG_DG222775,,,,
BMGC_DG18087,BMG_DG222776,,,,
BMGC_DG18088,BMG_DG222777,,,,
BMGC_DG18089,BMG_DG222778,,,,
BMGC_DG18090,BMG_DG222779,,,,
BMGC_DG18091,BMG_DG222780,,,,
BMGC_DG18092,BMG_DG222781,,,,
BMGC_DG18093,BMG_DG222782,,,,
BMGC_DG18094,BMG_DG222783,,,,
BMGC_DG18095,BMG_DG222784,,,,
BMGC_DG18096,BMG_DG222785,,,,
BMGC_DG18097,BMG_DG222786,,,,
BMGC_DG18098,BMG_DG222787,,,,
BMGC_DG18099,BMG_DG222788,,,,
BMGC_DG18100,BMG_DG222789,,,,
BMGC_DG18101,BMG_DG222790,,,,
BMGC_DG18102,BMG_DG222791,,,,
BMGC_DG18103,BMG_DG222792,,,,
BMGC_DG18104,BMG_DG222793,,,,
BMGC_DG18105,BMG_DG222794,,,,
BMGC_DG18106,BMG_DG222795,,,,
BMGC_DG18107,BMG_DG222796,,,,
BMGC_DG18108,BMG_DG222797,,,,
BMGC_DG18109,BMG_DG222798,,,,
BMGC_DG18110,BMG_DG222799,,,,
BMGC_DG18111,BMG_DG222800,,,,
BMGC_DG18112,BMG_DG222801,,,,
BMGC_DG18113,BMG_DG222802,,,,
BMGC_DG18114,BMG_DG222803,,,,
BMGC_DG18115,BMG_DG222804,,,,
BMGC_DG18116,BMG_DG222805,,,,
BMGC_DG18117,BMG_DG222806,,,,
BMGC_DG18118,BMG_DG222807,,,,
BMGC_DG18119,BMG_DG222808,,,,
BMGC_DG18120,BMG_DG222809,,,,
BMGC_DG18121,BMG_DG222810,,,,
BMGC_DG18122,BMG_DG222811,,,,
BMGC_DG18123,BMG_DG222812,,,,
BMGC_DG18124,BMG_DG222813,,,,
BMGC_DG18125,BMG_DG222814,,,,
BMGC_DG18126,BMG_DG222815,,,,
BMGC_DG18127,BMG_DG222816,,,,
BMGC_DG18128,BMG_DG222817,,,,
BMGC_DG18129,BMG_DG222818,,,,
BMGC_DG18130,BMG_DG222819,,,,
BMGC_DG18131,BMG_DG222821,,,,
BMGC_DG18132,BMG_DG222822,,,,
BMGC_DG18133,BMG_DG222823,,,,
BMGC_DG18134,BMG_DG222824,,,,
BMGC_DG18135,BMG_DG222825,,,,
BMGC_DG18136,BMG_DG222826,,,,
BMGC_DG18137,BMG_DG222827,,,,
BMGC_DG18138,BMG_DG222828,,,,
BMGC_DG18139,BMG_DG222829,,,,
BMGC_DG18140,BMG_DG222830,,,,
BMGC_DG18141,BMG_DG222831,,,,
BMGC_DG18142,BMG_DG222832,,,,
BMGC_DG18143,BMG_DG222833,,,,
BMGC_DG18144,BMG_DG222834,,,,
BMGC_DG18145,BMG_DG222835,,,,
BMGC_DG18146,BMG_DG222836,,,,
BMGC_DG18147,BMG_DG222837,,,,
BMGC_DG18148,BMG_DG222838,,,,
BMGC_DG18149,BMG_DG222839,,,,
BMGC_DG18150,BMG_DG222840,,,,
BMGC_DG18151,BMG_DG222841,,,,
BMGC_DG18152,BMG_DG222842,,,,
BMGC_DG18153,BMG_DG222843,,,,
BMGC_DG18154,BMG_DG222844,,,,
BMGC_DG18155,BMG_DG222845,,,,
BMGC_DG18156,BMG_DG222846,,,,
BMGC_DG18157,BMG_DG222847,,,,
BMGC_DG18158,BMG_DG222848,,,,
BMGC_DG18159,BMG_DG222849,,,,
BMGC_DG18160,BMG_DG222850,,,,
BMGC_DG18161,BMG_DG222851,,,,
BMGC_DG18162,BMG_DG222852,,,,
BMGC_DG18163,BMG_DG222853,,,,
BMGC_DG18164,BMG_DG222854,,,,
BMGC_DG18165,BMG_DG222855,,,,
BMGC_DG18166,BMG_DG222856,,,,
BMGC_DG18167,BMG_DG222857,,,,
BMGC_DG18168,BMG_DG222858,,,,
BMGC_DG18169,BMG_DG222859,,,,
BMGC_DG18170,BMG_DG222860,,,,
BMGC_DG18171,BMG_DG222861,,,,
BMGC_DG18172,BMG_DG222862,,,,
BMGC_DG18173,BMG_DG222863,,,,
BMGC_DG18174,BMG_DG222864,,,,
BMGC_DG18175,BMG_DG222865,,,,
BMGC_DG18176,BMG_DG222866,,,,
BMGC_DG18177,BMG_DG222867,,,,
BMGC_DG18178,BMG_DG222868,,,,
BMGC_DG18179,BMG_DG222869,,,,
BMGC_DG18180,BMG_DG222870,,,,
BMGC_DG18181,BMG_DG222871,,,,
BMGC_DG18182,BMG_DG222872,,,,
BMGC_DG18183,BMG_DG222875,,,,
BMGC_DG18184,BMG_DG222877,,,,
BMGC_DG18185,BMG_DG222878,,,,
BMGC_DG18186,BMG_DG222879,,,,
BMGC_DG18187,BMG_DG222881,,,,
BMGC_DG18188,BMG_DG222882,,,,
BMGC_DG18189,BMG_DG222883,,,,
BMGC_DG18190,BMG_DG222884,,,,
BMGC_DG18191,BMG_DG222886,,,,
BMGC_DG18192,BMG_DG222887,,,,
BMGC_DG18193,BMG_DG222888,,,,
BMGC_DG18194,BMG_DG222890,,,,
BMGC_DG18195,BMG_DG222891,,,,
BMGC_DG18196,BMG_DG222892,,,,
BMGC_DG18197,BMG_DG222893,,,,
BMGC_DG18198,BMG_DG222894,,,,
BMGC_DG18199,BMG_DG222895,,,,
BMGC_DG18200,BMG_DG222898,,,,
BMGC_DG18201,BMG_DG222899,,,,
BMGC_DG18202,BMG_DG222924,,,,
BMGC_DG18203,BMG_DG222925,,,,
BMGC_DG18204,BMG_DG222926,,,,
BMGC_DG18205,BMG_DG222927,,,,
BMGC_DG18206,BMG_DG222952,,,,
BMGC_DG18207,BMG_DG222957,,,,
BMGC_DG18208,BMG_DG222959,,,,
BMGC_DG18209,BMG_DG222961,,,,
BMGC_DG18210,BMG_DG222972,,,,
BMGC_DG18211,BMG_DG222973,,,,
BMGC_DG18212,BMG_DG222976,,,,
BMGC_DG18213,BMG_DG222985,,,,
BMGC_DG18214,BMG_DG222994,,,,
BMGC_DG18215,BMG_DG222999,,,,
BMGC_DG18216,BMG_DG223000,,,,
BMGC_DG18217,BMG_DG223007,,,,
BMGC_DG18218,BMG_DG223008,,,,
BMGC_DG18219,BMG_DG223085,,,,
BMGC_DG18220,BMG_DG223089,,,,
BMGC_DG18221,BMG_DG223122,,,,
BMGC_DG18222,BMG_DG223124,,,,
BMGC_DG18223,BMG_DG223128,,,,
BMGC_DG18224,BMG_DG223172,,,,
BMGC_DG18225,BMG_DG223249,,,,
BMGC_DG18226,BMG_DG223273,,,,
BMGC_DG18227,BMG_DG223274,,,,
BMGC_DG18228,BMG_DG223275,,,,
BMGC_DG18229,BMG_DG223276,,,,
BMGC_DG18230,BMG_DG223277,,,,
BMGC_DG18231,BMG_DG223279,,,,
BMGC_DG18232,BMG_DG223339,,,,
BMGC_DG18233,BMG_DG223340,,,,
BMGC_DG18234,BMG_DG223341,,,,
BMGC_DG18235,BMG_DG223371,,,,
BMGC_DG18236,BMG_DG223410,,,,
BMGC_DG18237,BMG_DG223470,,,,
BMGC_DG18238,BMG_DG223481,,,,
BMGC_DG18239,BMG_DG223482,,,,
BMGC_DG18240,BMG_DG223483,,,,
BMGC_DG18241,BMG_DG223485,,,,
BMGC_DG18242,BMG_DG223501,,,,
BMGC_DG18243,BMG_DG223502,,,,
BMGC_DG18244,BMG_DG223503,,,,
BMGC_DG18245,BMG_DG223505,,,,
BMGC_DG18246,BMG_DG223523,,,,
BMGC_DG18247,BMG_DG223524,,,,
BMGC_DG18248,BMG_DG223526,,,,
BMGC_DG18249,BMG_DG223528,,,,
BMGC_DG18250,BMG_DG223529,,,,
BMGC_DG18251,BMG_DG223530,,,,
BMGC_DG18252,BMG_DG223532,,,,
BMGC_DG18253,BMG_DG223533,,,,
BMGC_DG18254,BMG_DG223534,,,,
BMGC_DG18255,BMG_DG223535,,,,
BMGC_DG18256,BMG_DG223536,,,,
BMGC_DG18257,BMG_DG223539,,,,
BMGC_DG18258,BMG_DG223541,,,,
BMGC_DG18259,BMG_DG223542,,,,
BMGC_DG18260,BMG_DG223543,,,,
BMGC_DG18261,BMG_DG223544,,,,
BMGC_DG18262,BMG_DG223545,,,,
BMGC_DG18263,BMG_DG223546,,,,
BMGC_DG18264,BMG_DG223547,,,,
BMGC_DG18265,BMG_DG223550,,,,
BMGC_DG18266,BMG_DG223551,,,,
BMGC_DG18267,BMG_DG223553,,,,
BMGC_DG18268,BMG_DG223554,,,,
BMGC_DG18269,BMG_DG223555,,,,
BMGC_DG18270,BMG_DG223556,,,,
BMGC_DG18271,BMG_DG223557,,,,
BMGC_DG18272,BMG_DG223558,,,,
BMGC_DG18273,BMG_DG223559,,,,
BMGC_DG18274,BMG_DG223561,,,,
BMGC_DG18275,BMG_DG223566,,,,
BMGC_DG18276,BMG_DG223568,,,,
BMGC_DG18277,BMG_DG223573,,,,
BMGC_DG18278,BMG_DG223574,,,,
BMGC_DG18279,BMG_DG223575,,,,
BMGC_DG18280,BMG_DG223576,,,,
BMGC_DG18281,BMG_DG223577,,,,
BMGC_DG18282,BMG_DG223578,,,,
BMGC_DG18283,BMG_DG223579,,,,
BMGC_DG18284,BMG_DG223583,,,,
BMGC_DG18285,BMG_DG223585,,,,
BMGC_DG18286,BMG_DG223586,,,,
BMGC_DG18287,BMG_DG223587,,,,
BMGC_DG18288,BMG_DG223588,,,,
BMGC_DG18289,BMG_DG223591,,,,
BMGC_DG18290,BMG_DG223595,,,,
BMGC_DG18291,BMG_DG223602,,,,
BMGC_DG18292,BMG_DG223605,,,,
BMGC_DG18293,BMG_DG223608,,,,
BMGC_DG18294,BMG_DG223609,,,,
BMGC_DG18295,BMG_DG223612,,,,
BMGC_DG18296,BMG_DG223614,,,,
BMGC_DG18297,BMG_DG223618,,,,
BMGC_DG18298,BMG_DG223622,,,,
BMGC_DG18299,BMG_DG223624,,,,
BMGC_DG18300,BMG_DG223626,,,,
BMGC_DG18301,BMG_DG223627,,,,
BMGC_DG18302,BMG_DG223628,,,,
BMGC_DG18303,BMG_DG223629,,,,
BMGC_DG18304,BMG_DG223631,,,,
BMGC_DG18305,BMG_DG223632,,,,
BMGC_DG18306,BMG_DG223633,,,,
BMGC_DG18307,BMG_DG223636,,,,
BMGC_DG18308,BMG_DG223637,,,,
BMGC_DG18309,BMG_DG223638,,,,
BMGC_DG18310,BMG_DG223639,,,,
BMGC_DG18311,BMG_DG223640,,,,
BMGC_DG18312,BMG_DG223641,,,,
BMGC_DG18313,BMG_DG223642,,,,
BMGC_DG18314,BMG_DG223643,,,,
BMGC_DG18315,BMG_DG223644,,,,
BMGC_DG18316,BMG_DG223645,,,,
BMGC_DG18317,BMG_DG223646,,,,
BMGC_DG18318,BMG_DG223647,,,,
BMGC_DG18319,BMG_DG223648,,,,
BMGC_DG18320,BMG_DG223649,,,,
BMGC_DG18321,BMG_DG223650,,,,
BMGC_DG18322,BMG_DG223651,,,,
BMGC_DG18323,BMG_DG223653,,,,
BMGC_DG18324,BMG_DG223654,,,,
BMGC_DG18325,BMG_DG223655,,,,
BMGC_DG18326,BMG_DG223656,,,,
BMGC_DG18327,BMG_DG223657,,,,
BMGC_DG18328,BMG_DG223658,,,,
BMGC_DG18329,BMG_DG223660,,,,
BMGC_DG18330,BMG_DG223661,,,,
BMGC_DG18331,BMG_DG223662,,,,
BMGC_DG18332,BMG_DG223663,,,,
BMGC_DG18333,BMG_DG223666,,,,
BMGC_DG18334,BMG_DG223667,,,,
BMGC_DG18335,BMG_DG223668,,,,
BMGC_DG18336,BMG_DG223669,,,,
BMGC_DG18337,BMG_DG223670,,,,
BMGC_DG18338,BMG_DG223671,,,,
BMGC_DG18339,BMG_DG223673,,,,
BMGC_DG18340,BMG_DG223674,,,,
BMGC_DG18341,BMG_DG223675,,,,
BMGC_DG18342,BMG_DG223676,,,,
BMGC_DG18343,BMG_DG223677,,,,
BMGC_DG18344,BMG_DG223679,,,,
BMGC_DG18345,BMG_DG223681,,,,
BMGC_DG18346,BMG_DG223682,,,,
BMGC_DG18347,BMG_DG223683,,,,
BMGC_DG18348,BMG_DG223685,,,,
BMGC_DG18349,BMG_DG223686,,,,
BMGC_DG18350,BMG_DG223687,,,,
BMGC_DG18351,BMG_DG223689,,,,
BMGC_DG18352,BMG_DG223692,,,,
BMGC_DG18353,BMG_DG223693,,,,
BMGC_DG18354,BMG_DG223694,,,,
BMGC_DG18355,BMG_DG223696,,,,
BMGC_DG18356,BMG_DG223698,,,,
BMGC_DG18357,BMG_DG223699,,,,
BMGC_DG18358,BMG_DG223702,,,,
BMGC_DG18359,BMG_DG223703,,,,
BMGC_DG18360,BMG_DG223704,,,,
BMGC_DG18361,BMG_DG223705,,,,
BMGC_DG18362,BMG_DG223706,,,,
BMGC_DG18363,BMG_DG223707,,,,
BMGC_DG18364,BMG_DG223708,,,,
BMGC_DG18365,BMG_DG223711,,,,
BMGC_DG18366,BMG_DG223712,,,,
BMGC_DG18367,BMG_DG223713,,,,
BMGC_DG18368,BMG_DG223714,,,,
BMGC_DG18369,BMG_DG223715,,,,
BMGC_DG18370,BMG_DG223716,,,,
BMGC_DG18371,BMG_DG223718,,,,
BMGC_DG18372,BMG_DG223719,,,,
BMGC_DG18373,BMG_DG223720,,,,
BMGC_DG18374,BMG_DG223721,,,,
BMGC_DG18375,BMG_DG223722,,,,
BMGC_DG18376,BMG_DG223723,,,,
BMGC_DG18377,BMG_DG223724,,,,
BMGC_DG18378,BMG_DG223725,,,,
BMGC_DG18379,BMG_DG223727,,,,
BMGC_DG18380,BMG_DG223729,,,,
BMGC_DG18381,BMG_DG223730,,,,
BMGC_DG18382,BMG_DG223731,,,,
BMGC_DG18383,BMG_DG223732,,,,
BMGC_DG18384,BMG_DG223734,,,,
BMGC_DG18385,BMG_DG223736,,,,
BMGC_DG18386,BMG_DG223738,,,,
BMGC_DG18387,BMG_DG223741,,,,
BMGC_DG18388,BMG_DG223742,,,,
BMGC_DG18389,BMG_DG223743,,,,
BMGC_DG18390,BMG_DG223748,,,,
BMGC_DG18391,BMG_DG223749,,,,
BMGC_DG18392,BMG_DG223751,,,,
BMGC_DG18393,BMG_DG223752,,,,
BMGC_DG18394,BMG_DG223753,,,,
BMGC_DG18395,BMG_DG223754,,,,
BMGC_DG18396,BMG_DG223755,,,,
BMGC_DG18397,BMG_DG223757,,,,
BMGC_DG18398,BMG_DG223758,,,,
BMGC_DG18399,BMG_DG223760,,,,
BMGC_DG18400,BMG_DG223762,,,,
BMGC_DG18401,BMG_DG223763,,,,
BMGC_DG18402,BMG_DG223764,,,,
BMGC_DG18403,BMG_DG223765,,,,
BMGC_DG18404,BMG_DG223766,,,,
BMGC_DG18405,BMG_DG223767,,,,
BMGC_DG18406,BMG_DG223768,,,,
BMGC_DG18407,BMG_DG223770,,,,
BMGC_DG18408,BMG_DG223771,,,,
BMGC_DG18409,BMG_DG223774,,,,
BMGC_DG18410,BMG_DG223782,,,,
BMGC_DG18411,BMG_DG223783,,,,
BMGC_DG18412,BMG_DG223785,,,,
BMGC_DG18413,BMG_DG223786,,,,
BMGC_DG18414,BMG_DG223787,,,,
BMGC_DG18415,BMG_DG223788,,,,
BMGC_DG18416,BMG_DG223789,,,,
BMGC_DG18417,BMG_DG223791,,,,
BMGC_DG18418,BMG_DG223792,,,,
BMGC_DG18419,BMG_DG223795,,,,
BMGC_DG18420,BMG_DG223796,,,,
BMGC_DG18421,BMG_DG223797,,,,
BMGC_DG18422,BMG_DG223799,,,,
BMGC_DG18423,BMG_DG223800,,,,
BMGC_DG18424,BMG_DG223801,,,,
BMGC_DG18425,BMG_DG223802,,,,
BMGC_DG18426,BMG_DG223805,,,,
BMGC_DG18427,BMG_DG223806,,,,
BMGC_DG18428,BMG_DG223807,,,,
BMGC_DG18429,BMG_DG223808,,,,
BMGC_DG18430,BMG_DG223809,,,,
BMGC_DG18431,BMG_DG223810,,,,
BMGC_DG18432,BMG_DG223813,,,,
BMGC_DG18433,BMG_DG223814,,,,
BMGC_DG18434,BMG_DG223816,,,,
BMGC_DG18435,BMG_DG223817,,,,
BMGC_DG18436,BMG_DG223818,,,,
BMGC_DG18437,BMG_DG223819,,,,
BMGC_DG18438,BMG_DG223823,,,,
BMGC_DG18439,BMG_DG223825,,,,
BMGC_DG18440,BMG_DG223826,,,,
BMGC_DG18441,BMG_DG223829,,,,
BMGC_DG18442,BMG_DG223831,,,,
BMGC_DG18443,BMG_DG223832,,,,
BMGC_DG18444,BMG_DG223833,,,,
BMGC_DG18445,BMG_DG223834,,,,
BMGC_DG18446,BMG_DG223836,,,,
BMGC_DG18447,BMG_DG223838,,,,
BMGC_DG18448,BMG_DG223839,,,,
BMGC_DG18449,BMG_DG223840,,,,
BMGC_DG18450,BMG_DG223841,,,,
BMGC_DG18451,BMG_DG223842,,,,
BMGC_DG18452,BMG_DG223845,,,,
BMGC_DG18453,BMG_DG223848,,,,
BMGC_DG18454,BMG_DG223849,,,,
BMGC_DG18455,BMG_DG223851,,,,
BMGC_DG18456,BMG_DG223852,,,,
BMGC_DG18457,BMG_DG223853,,,,
BMGC_DG18458,BMG_DG223855,,,,
BMGC_DG18459,BMG_DG223856,,,,
BMGC_DG18460,BMG_DG223857,,,,
BMGC_DG18461,BMG_DG223858,,,,
BMGC_DG18462,BMG_DG223859,,,,
BMGC_DG18463,BMG_DG223860,,,,
BMGC_DG18464,BMG_DG223862,,,,
BMGC_DG18465,BMG_DG223863,,,,
BMGC_DG18466,BMG_DG223864,,,,
BMGC_DG18467,BMG_DG223870,,,,
BMGC_DG18468,BMG_DG223871,,,,
BMGC_DG18469,BMG_DG223872,,,,
BMGC_DG18470,BMG_DG223874,,,,
BMGC_DG18471,BMG_DG223876,,,,
BMGC_DG18472,BMG_DG223878,,,,
BMGC_DG18473,BMG_DG223885,,,,
BMGC_DG18474,BMG_DG223886,,,,
BMGC_DG18475,BMG_DG223888,,,,
BMGC_DG18476,BMG_DG223899,,,,
BMGC_DG18477,BMG_DG223956,,,,
BMGC_DG18478,BMG_DG224322,,,,
BMGC_DG18479,BMG_DG224335,,O=[O-],,MXDZWXWHPVATGF-UHFFFAOYSA-N
BMGC_DG18480,BMG_DG224644,,,,
BMGC_DG18481,BMG_DG224645,,,,
BMGC_DG18482,BMG_DG224646,,,,
BMGC_DG18483,BMG_DG224647,,,,
BMGC_DG18484,BMG_DG224648,,,,
BMGC_DG18485,BMG_DG224649,,,,
BMGC_DG18486,BMG_DG224650,,,,
BMGC_DG18487,BMG_DG224651,,,,
BMGC_DG18488,BMG_DG224652,,,,
BMGC_DG18489,BMG_DG224653,,,,
BMGC_DG18490,BMG_DG224655,,,,
BMGC_DG18491,BMG_DG224656,,,,
BMGC_DG18492,BMG_DG224657,,,,
BMGC_DG18493,BMG_DG224658,,,,
BMGC_DG18494,BMG_DG224659,,,,
BMGC_DG18495,BMG_DG224660,,,,
BMGC_DG18496,BMG_DG224661,,,,
BMGC_DG18497,BMG_DG224662,,,,
BMGC_DG18498,BMG_DG224663,,,,
BMGC_DG18499,BMG_DG224664,,,,
BMGC_DG18500,BMG_DG224665,,,,
BMGC_DG18501,BMG_DG224666,,,,
BMGC_DG18502,BMG_DG224667,,,,
BMGC_DG18503,BMG_DG224668,,,,
BMGC_DG18504,BMG_DG224669,,,,
BMGC_DG18505,BMG_DG224670,,,,
BMGC_DG18506,BMG_DG224671,,,,
BMGC_DG18507,BMG_DG224672,,,,
BMGC_DG18508,BMG_DG224673,,,,
BMGC_DG18509,BMG_DG224674,,,,
BMGC_DG18510,BMG_DG224675,,,,
BMGC_DG18511,BMG_DG224676,,,,
BMGC_DG18512,BMG_DG224677,,,,
BMGC_DG18513,BMG_DG224678,,,,
BMGC_DG18514,BMG_DG224679,,,,
BMGC_DG18515,BMG_DG224680,,,,
BMGC_DG18516,BMG_DG224681,,,,
BMGC_DG18517,BMG_DG224682,,,,
BMGC_DG18518,BMG_DG224683,,,,
BMGC_DG18519,BMG_DG224684,,,,
BMGC_DG18520,BMG_DG224685,,,,
BMGC_DG18521,BMG_DG224686,,,,
BMGC_DG18522,BMG_DG224687,,,,
BMGC_DG18523,BMG_DG224688,,,,
BMGC_DG18524,BMG_DG224689,,,,
BMGC_DG18525,BMG_DG224691,,,,
BMGC_DG18526,BMG_DG224693,,,,
BMGC_DG18527,BMG_DG224694,,,,
BMGC_DG18528,BMG_DG224695,,,,
BMGC_DG18529,BMG_DG224696,,,,
BMGC_DG18530,BMG_DG224697,,,,
BMGC_DG18531,BMG_DG224698,,,,
BMGC_DG18532,BMG_DG224699,,,,
BMGC_DG18533,BMG_DG224700,,,,
BMGC_DG18534,BMG_DG224701,,,,
BMGC_DG18535,BMG_DG224702,,,,
BMGC_DG18536,BMG_DG224703,,,,
BMGC_DG18537,BMG_DG224704,,,,
BMGC_DG18538,BMG_DG224705,,,,
BMGC_DG18539,BMG_DG224706,,,,
BMGC_DG18540,BMG_DG224707,,,,
BMGC_DG18541,BMG_DG224708,,,,
BMGC_DG18542,BMG_DG224709,,,,
BMGC_DG18543,BMG_DG224710,,,,
BMGC_DG18544,BMG_DG224711,,,,
BMGC_DG18545,BMG_DG224712,,,,
BMGC_DG18546,BMG_DG224713,,,,
BMGC_DG18547,BMG_DG224714,,,,
BMGC_DG18548,BMG_DG224715,,,,
BMGC_DG18549,BMG_DG224716,,,,
BMGC_DG18550,BMG_DG224717,,,,
BMGC_DG18551,BMG_DG224718,,,,
BMGC_DG18552,BMG_DG224719,,,,
BMGC_DG18553,BMG_DG224720,,,,
BMGC_DG18554,BMG_DG224721,,,,
BMGC_DG18555,BMG_DG224722,,,,
BMGC_DG18556,BMG_DG224723,,,,
BMGC_DG18557,BMG_DG224724,,,,
BMGC_DG18558,BMG_DG224725,,,,
BMGC_DG18559,BMG_DG224726,,,,
BMGC_DG18560,BMG_DG224727,,,,
BMGC_DG18561,BMG_DG224728,,,,
BMGC_DG18562,BMG_DG224729,,,,
BMGC_DG18563,BMG_DG224730,,,,
BMGC_DG18564,BMG_DG224731,,,,
BMGC_DG18565,BMG_DG224732,,,,
BMGC_DG18566,BMG_DG224733,,,,
BMGC_DG18567,BMG_DG224734,,,,
BMGC_DG18568,BMG_DG224735,,,,
BMGC_DG18569,BMG_DG224736,,,,
BMGC_DG18570,BMG_DG224738,,,,
BMGC_DG18571,BMG_DG224739,,,,
BMGC_DG18572,BMG_DG224740,,,,
BMGC_DG18573,BMG_DG224741,,,,
BMGC_DG18574,BMG_DG224742,,,,
BMGC_DG18575,BMG_DG224743,,,,
BMGC_DG18576,BMG_DG224744,,,,
BMGC_DG18577,BMG_DG224745,,,,
BMGC_DG18578,BMG_DG224746,,,,
BMGC_DG18579,BMG_DG224747,,,,
BMGC_DG18580,BMG_DG224748,,,,
BMGC_DG18581,BMG_DG224749,,,,
BMGC_DG18582,BMG_DG224750,,,,
BMGC_DG18583,BMG_DG224751,,,,
BMGC_DG18584,BMG_DG224752,,,,
BMGC_DG18585,BMG_DG224753,,,,
BMGC_DG18586,BMG_DG224754,,,,
BMGC_DG18587,BMG_DG224755,,,,
BMGC_DG18588,BMG_DG224756,,,,
BMGC_DG18589,BMG_DG224757,,,,
BMGC_DG18590,BMG_DG224758,,,,
BMGC_DG18591,BMG_DG224760,,,,
BMGC_DG18592,BMG_DG224761,,,,
BMGC_DG18593,BMG_DG224762,,,,
BMGC_DG18594,BMG_DG224763,,,,
BMGC_DG18595,BMG_DG224764,,,,
BMGC_DG18596,BMG_DG224765,,,,
BMGC_DG18597,BMG_DG224766,,,,
BMGC_DG18598,BMG_DG224767,,,,
BMGC_DG18599,BMG_DG224768,,,,
BMGC_DG18600,BMG_DG224769,,,,
BMGC_DG18601,BMG_DG224770,,,,
BMGC_DG18602,BMG_DG224772,,,,
BMGC_DG18603,BMG_DG224773,,,,
BMGC_DG18604,BMG_DG224774,,,,
BMGC_DG18605,BMG_DG224776,,,,
BMGC_DG18606,BMG_DG224777,,,,
BMGC_DG18607,BMG_DG224778,,,,
BMGC_DG18608,BMG_DG224779,,,,
BMGC_DG18609,BMG_DG224780,,,,
BMGC_DG18610,BMG_DG224781,,,,
BMGC_DG18611,BMG_DG224782,,,,
BMGC_DG18612,BMG_DG224783,,,,
BMGC_DG18613,BMG_DG224784,,,,
BMGC_DG18614,BMG_DG224785,,,,
BMGC_DG18615,BMG_DG224786,,,,
BMGC_DG18616,BMG_DG224787,,,,
BMGC_DG18617,BMG_DG224788,,,,
BMGC_DG18618,BMG_DG224790,,,,
BMGC_DG18619,BMG_DG224791,,,,
BMGC_DG18620,BMG_DG227480,,,,
BMGC_DG18621,BMG_DG235854,,,,
BMGC_DG18622,BMG_DG236441,,,,
BMGC_DG18623,BMG_DG236564,,,,
BMGC_DG18624,BMG_DG239119,,,,
BMGC_DG18625,BMG_DG242246,,,,
BMGC_DG18626,BMG_DG244301,,,,
BMGC_DG18627,BMG_DG253708,,,,
BMGC_DG18628,BMG_DG254779,,,,
BMGC_DG18629,BMG_DG255060,,,,
BMGC_DG18630,BMG_DG255620,,,,
BMGC_DG18631,BMG_DG258417,,,,
BMGC_DG18632,BMG_DG259758,,,,
BMGC_DG18633,BMG_DG260880,,,,
BMGC_DG18634,BMG_DG261549,,,,
BMGC_DG18635,BMG_DG262179,,,,
BMGC_DG18636,BMG_DG262180,,,,
BMGC_DG18637,BMG_DG262181,,,,
BMGC_DG18638,BMG_DG262183,,,,
BMGC_DG18639,BMG_DG262184,,,,
BMGC_DG18640,BMG_DG262185,,,,
BMGC_DG18641,BMG_DG262186,,,,
BMGC_DG18642,BMG_DG262188,,,,
BMGC_DG18643,BMG_DG262191,,,,
BMGC_DG18644,BMG_DG262193,,,,
BMGC_DG18645,BMG_DG262195,,,,
BMGC_DG18646,BMG_DG262196,,,,
BMGC_DG18647,BMG_DG262198,,,,
BMGC_DG18648,BMG_DG262199,,,,
BMGC_DG18649,BMG_DG262203,,,,
BMGC_DG18650,BMG_DG262204,,,,
BMGC_DG18651,BMG_DG262205,,,,
BMGC_DG18652,BMG_DG262206,,,,
BMGC_DG18653,BMG_DG262207,,,,
BMGC_DG18654,BMG_DG262208,,,,
BMGC_DG18655,BMG_DG262209,,,,
BMGC_DG18656,BMG_DG262210,,,,
BMGC_DG18657,BMG_DG262212,,,,
BMGC_DG18658,BMG_DG262218,,,,
BMGC_DG18659,BMG_DG262220,,,,
BMGC_DG18660,BMG_DG262221,,,,
BMGC_DG18661,BMG_DG262229,,,,
BMGC_DG18662,BMG_DG262230,,,,
BMGC_DG18663,BMG_DG262231,,,,
BMGC_DG18664,BMG_DG262236,,,,
BMGC_DG18665,BMG_DG262237,,,,
BMGC_DG18666,BMG_DG262239,,,,
BMGC_DG18667,BMG_DG262244,,,,
BMGC_DG18668,BMG_DG262247,,,,
BMGC_DG18669,BMG_DG262248,,,,
BMGC_DG18670,BMG_DG262250,,,,
BMGC_DG18671,BMG_DG262251,,,,
BMGC_DG18672,BMG_DG262252,,,,
BMGC_DG18673,BMG_DG262253,,,,
BMGC_DG18674,BMG_DG262254,,,,
BMGC_DG18675,BMG_DG262257,,,,
BMGC_DG18676,BMG_DG262258,,,,
BMGC_DG18677,BMG_DG262262,,,,
BMGC_DG18678,BMG_DG262263,,,,
BMGC_DG18679,BMG_DG262265,,,,
BMGC_DG18680,BMG_DG262266,,,,
BMGC_DG18681,BMG_DG262268,,,,
BMGC_DG18682,BMG_DG262269,,,,
BMGC_DG18683,BMG_DG262275,,,,
BMGC_DG18684,BMG_DG262276,,,,
BMGC_DG18685,BMG_DG262277,,,,
BMGC_DG18686,BMG_DG262278,,,,
BMGC_DG18687,BMG_DG262280,,,,
BMGC_DG18688,BMG_DG262281,,,,
BMGC_DG18689,BMG_DG262282,,,,
BMGC_DG18690,BMG_DG262283,,,,
BMGC_DG18691,BMG_DG262284,,,,
BMGC_DG18692,BMG_DG262285,,,,
BMGC_DG18693,BMG_DG262286,,,,
BMGC_DG18694,BMG_DG262287,,,,
BMGC_DG18695,BMG_DG262290,,,,
BMGC_DG18696,BMG_DG262291,,,,
BMGC_DG18697,BMG_DG262293,,,,
BMGC_DG18698,BMG_DG262295,,,,
BMGC_DG18699,BMG_DG262296,,,,
BMGC_DG18700,BMG_DG262297,,,,
BMGC_DG18701,BMG_DG262298,,,,
BMGC_DG18702,BMG_DG262299,,,,
BMGC_DG18703,BMG_DG262300,,,,
BMGC_DG18704,BMG_DG262301,,,,
BMGC_DG18705,BMG_DG262302,,,,
BMGC_DG18706,BMG_DG262303,,,,
BMGC_DG18707,BMG_DG262305,,,,
BMGC_DG18708,BMG_DG262306,,,,
BMGC_DG18709,BMG_DG262307,,,,
BMGC_DG18710,BMG_DG262308,,,,
BMGC_DG18711,BMG_DG262310,,,,
BMGC_DG18712,BMG_DG262311,,,,
BMGC_DG18713,BMG_DG262312,,,,
BMGC_DG18714,BMG_DG262313,,,,
BMGC_DG18715,BMG_DG262317,,,,
BMGC_DG18716,BMG_DG262318,,,,
BMGC_DG18717,BMG_DG262319,,,,
BMGC_DG18718,BMG_DG262320,,,,
BMGC_DG18719,BMG_DG262322,,,,
BMGC_DG18720,BMG_DG262323,,,,
BMGC_DG18721,BMG_DG262325,,,,
BMGC_DG18722,BMG_DG262326,,,,
BMGC_DG18723,BMG_DG262329,,,,
BMGC_DG18724,BMG_DG262330,,,,
BMGC_DG18725,BMG_DG262331,,,,
BMGC_DG18726,BMG_DG262332,,,,
BMGC_DG18727,BMG_DG262333,,,,
BMGC_DG18728,BMG_DG262334,,,,
BMGC_DG18729,BMG_DG262335,,,,
BMGC_DG18730,BMG_DG262336,,,,
BMGC_DG18731,BMG_DG262337,,,,
BMGC_DG18732,BMG_DG262339,,,,
BMGC_DG18733,BMG_DG262340,,,,
BMGC_DG18734,BMG_DG262341,,,,
BMGC_DG18735,BMG_DG262342,,,,
BMGC_DG18736,BMG_DG262343,,,,
BMGC_DG18737,BMG_DG262344,,,,
BMGC_DG18738,BMG_DG262347,,,,
BMGC_DG18739,BMG_DG262350,,,,
BMGC_DG18740,BMG_DG262351,,,,
BMGC_DG18741,BMG_DG262355,,,,
BMGC_DG18742,BMG_DG262356,,,,
BMGC_DG18743,BMG_DG262358,,,,
BMGC_DG18744,BMG_DG262359,,,,
BMGC_DG18745,BMG_DG262360,,,,
BMGC_DG18746,BMG_DG262361,,,,
BMGC_DG18747,BMG_DG262362,,,,
BMGC_DG18748,BMG_DG262363,,,,
BMGC_DG18749,BMG_DG262364,,,,
BMGC_DG18750,BMG_DG262366,,,,
BMGC_DG18751,BMG_DG262367,,,,
BMGC_DG18752,BMG_DG262368,,,,
BMGC_DG18753,BMG_DG262369,,,,
BMGC_DG18754,BMG_DG262370,,,,
BMGC_DG18755,BMG_DG262372,,,,
BMGC_DG18756,BMG_DG262373,,,,
BMGC_DG18757,BMG_DG262375,,,,
BMGC_DG18758,BMG_DG262376,,,,
BMGC_DG18759,BMG_DG262377,,,,
BMGC_DG18760,BMG_DG262380,,,,
BMGC_DG18761,BMG_DG262381,,,,
BMGC_DG18762,BMG_DG262383,,,,
BMGC_DG18763,BMG_DG262384,,,,
BMGC_DG18764,BMG_DG262385,,,,
BMGC_DG18765,BMG_DG262387,,,,
BMGC_DG18766,BMG_DG262388,,,,
BMGC_DG18767,BMG_DG262389,,,,
BMGC_DG18768,BMG_DG262390,,,,
BMGC_DG18769,BMG_DG262392,,,,
BMGC_DG18770,BMG_DG262394,,,,
BMGC_DG18771,BMG_DG262395,,,,
BMGC_DG18772,BMG_DG262396,,,,
BMGC_DG18773,BMG_DG262397,,,,
BMGC_DG18774,BMG_DG262398,,,,
BMGC_DG18775,BMG_DG262399,,,,
BMGC_DG18776,BMG_DG262400,,,,
BMGC_DG18777,BMG_DG262402,,,,
BMGC_DG18778,BMG_DG262403,,,,
BMGC_DG18779,BMG_DG262404,,,,
BMGC_DG18780,BMG_DG262405,,,,
BMGC_DG18781,BMG_DG262406,,,,
BMGC_DG18782,BMG_DG262407,,,,
BMGC_DG18783,BMG_DG262408,,,,
BMGC_DG18784,BMG_DG262409,,,,
BMGC_DG18785,BMG_DG262410,,,,
BMGC_DG18786,BMG_DG262411,,,,
BMGC_DG18787,BMG_DG262412,,,,
BMGC_DG18788,BMG_DG262417,,,,
BMGC_DG18789,BMG_DG262419,,,,
BMGC_DG18790,BMG_DG262420,,,,
BMGC_DG18791,BMG_DG262421,,,,
BMGC_DG18792,BMG_DG262422,,,,
BMGC_DG18793,BMG_DG262423,,,,
BMGC_DG18794,BMG_DG262425,,,,
BMGC_DG18795,BMG_DG262427,,,,
BMGC_DG18796,BMG_DG262429,,,,
BMGC_DG18797,BMG_DG262430,,,,
BMGC_DG18798,BMG_DG262431,,,,
BMGC_DG18799,BMG_DG262432,,,,
BMGC_DG18800,BMG_DG262435,,,,
BMGC_DG18801,BMG_DG262436,,,,
BMGC_DG18802,BMG_DG262438,,,,
BMGC_DG18803,BMG_DG262439,,,,
BMGC_DG18804,BMG_DG262440,,,,
BMGC_DG18805,BMG_DG262441,,,,
BMGC_DG18806,BMG_DG262442,,,,
BMGC_DG18807,BMG_DG262443,,,,
BMGC_DG18808,BMG_DG262444,,,,
BMGC_DG18809,BMG_DG262446,,,,
BMGC_DG18810,BMG_DG262447,,,,
BMGC_DG18811,BMG_DG262449,,,,
BMGC_DG18812,BMG_DG262450,,,,
BMGC_DG18813,BMG_DG262452,,,,
BMGC_DG18814,BMG_DG262453,,,,
BMGC_DG18815,BMG_DG262456,,,,
BMGC_DG18816,BMG_DG262457,,,,
BMGC_DG18817,BMG_DG262458,,,,
BMGC_DG18818,BMG_DG262459,,,,
BMGC_DG18819,BMG_DG262460,,,,
BMGC_DG18820,BMG_DG262462,,,,
BMGC_DG18821,BMG_DG262465,,,,
BMGC_DG18822,BMG_DG262467,,,,
BMGC_DG18823,BMG_DG262468,,,,
BMGC_DG18824,BMG_DG262469,,,,
BMGC_DG18825,BMG_DG262470,,,,
BMGC_DG18826,BMG_DG262472,,,,
BMGC_DG18827,BMG_DG262474,,,,
BMGC_DG18828,BMG_DG262475,,,,
BMGC_DG18829,BMG_DG262476,,,,
BMGC_DG18830,BMG_DG262477,,,,
BMGC_DG18831,BMG_DG262478,,,,
BMGC_DG18832,BMG_DG262479,,,,
BMGC_DG18833,BMG_DG262481,,,,
BMGC_DG18834,BMG_DG262482,,,,
BMGC_DG18835,BMG_DG262488,,,,
BMGC_DG18836,BMG_DG262489,,,,
BMGC_DG18837,BMG_DG262491,,,,
BMGC_DG18838,BMG_DG262493,,,,
BMGC_DG18839,BMG_DG262495,,,,
BMGC_DG18840,BMG_DG262496,,,,
BMGC_DG18841,BMG_DG262497,,,,
BMGC_DG18842,BMG_DG262498,,,,
BMGC_DG18843,BMG_DG262499,,,,
BMGC_DG18844,BMG_DG262500,,,,
BMGC_DG18845,BMG_DG262501,,,,
BMGC_DG18846,BMG_DG262506,,,,
BMGC_DG18847,BMG_DG262508,,,,
BMGC_DG18848,BMG_DG262509,,,,
BMGC_DG18849,BMG_DG262510,,,,
BMGC_DG18850,BMG_DG262513,,,,
BMGC_DG18851,BMG_DG262515,,,,
BMGC_DG18852,BMG_DG262516,,,,
BMGC_DG18853,BMG_DG262517,,,,
BMGC_DG18854,BMG_DG262518,,,,
BMGC_DG18855,BMG_DG262519,,,,
BMGC_DG18856,BMG_DG262520,,,,
BMGC_DG18857,BMG_DG262525,,,,
BMGC_DG18858,BMG_DG262526,,,,
BMGC_DG18859,BMG_DG262527,,,,
BMGC_DG18860,BMG_DG262528,,,,
BMGC_DG18861,BMG_DG262529,,,,
BMGC_DG18862,BMG_DG262530,,,,
BMGC_DG18863,BMG_DG262531,,,,
BMGC_DG18864,BMG_DG262532,,,,
BMGC_DG18865,BMG_DG262533,,,,
BMGC_DG18866,BMG_DG262534,,,,
BMGC_DG18867,BMG_DG262536,,,,
BMGC_DG18868,BMG_DG262537,,,,
BMGC_DG18869,BMG_DG262539,,,,
BMGC_DG18870,BMG_DG262541,,,,
BMGC_DG18871,BMG_DG262542,,,,
BMGC_DG18872,BMG_DG262544,,,,
BMGC_DG18873,BMG_DG262545,,,,
BMGC_DG18874,BMG_DG262547,,,,
BMGC_DG18875,BMG_DG262551,,,,
BMGC_DG18876,BMG_DG262552,,,,
BMGC_DG18877,BMG_DG262553,,,,
BMGC_DG18878,BMG_DG262554,,,,
BMGC_DG18879,BMG_DG262555,,,,
BMGC_DG18880,BMG_DG262556,,,,
BMGC_DG18881,BMG_DG262557,,,,
BMGC_DG18882,BMG_DG262559,,,,
BMGC_DG18883,BMG_DG262560,,,,
BMGC_DG18884,BMG_DG262561,,,,
BMGC_DG18885,BMG_DG262562,,,,
BMGC_DG18886,BMG_DG262564,,,,
BMGC_DG18887,BMG_DG262565,,,,
BMGC_DG18888,BMG_DG262566,,,,
BMGC_DG18889,BMG_DG262567,,,,
BMGC_DG18890,BMG_DG262569,,,,
BMGC_DG18891,BMG_DG262570,,,,
BMGC_DG18892,BMG_DG262571,,,,
BMGC_DG18893,BMG_DG262572,,,,
BMGC_DG18894,BMG_DG262573,,,,
BMGC_DG18895,BMG_DG262576,,,,
BMGC_DG18896,BMG_DG262578,,,,
BMGC_DG18897,BMG_DG262579,,,,
BMGC_DG18898,BMG_DG262580,,,,
BMGC_DG18899,BMG_DG262581,,,,
BMGC_DG18900,BMG_DG262582,,,,
BMGC_DG18901,BMG_DG262584,,,,
BMGC_DG18902,BMG_DG262586,,,,
BMGC_DG18903,BMG_DG262588,,,,
BMGC_DG18904,BMG_DG262596,,,,
BMGC_DG18905,BMG_DG262598,,,,
BMGC_DG18906,BMG_DG262599,,,,
BMGC_DG18907,BMG_DG262600,,,,
BMGC_DG18908,BMG_DG262601,,,,
BMGC_DG18909,BMG_DG262603,,,,
BMGC_DG18910,BMG_DG262607,,,,
BMGC_DG18911,BMG_DG262609,,,,
BMGC_DG18912,BMG_DG262610,,,,
BMGC_DG18913,BMG_DG262611,,,,
BMGC_DG18914,BMG_DG262612,,,,
BMGC_DG18915,BMG_DG262613,,,,
BMGC_DG18916,BMG_DG262614,,,,
BMGC_DG18917,BMG_DG262615,,,,
BMGC_DG18918,BMG_DG262617,,,,
BMGC_DG18919,BMG_DG262618,,,,
BMGC_DG18920,BMG_DG262620,,,,
BMGC_DG18921,BMG_DG262622,,,,
BMGC_DG18922,BMG_DG262623,,,,
BMGC_DG18923,BMG_DG262624,,,,
BMGC_DG18924,BMG_DG262626,,,,
BMGC_DG18925,BMG_DG262627,,,,
BMGC_DG18926,BMG_DG262629,,,,
BMGC_DG18927,BMG_DG262630,,,,
BMGC_DG18928,BMG_DG262632,,,,
BMGC_DG18929,BMG_DG262633,,,,
BMGC_DG18930,BMG_DG262634,,,,
BMGC_DG18931,BMG_DG262635,,,,
BMGC_DG18932,BMG_DG262636,,,,
BMGC_DG18933,BMG_DG262637,,,,
BMGC_DG18934,BMG_DG262638,,,,
BMGC_DG18935,BMG_DG262641,,,,
BMGC_DG18936,BMG_DG262642,,,,
BMGC_DG18937,BMG_DG262644,,,,
BMGC_DG18938,BMG_DG262645,,,,
BMGC_DG18939,BMG_DG262647,,,,
BMGC_DG18940,BMG_DG262648,,,,
BMGC_DG18941,BMG_DG262649,,,,
BMGC_DG18942,BMG_DG262650,,,,
BMGC_DG18943,BMG_DG262651,,,,
BMGC_DG18944,BMG_DG262652,,,,
BMGC_DG18945,BMG_DG262653,,,,
BMGC_DG18946,BMG_DG262654,,,,
BMGC_DG18947,BMG_DG262655,,,,
BMGC_DG18948,BMG_DG262656,,,,
BMGC_DG18949,BMG_DG262658,,,,
BMGC_DG18950,BMG_DG262659,,,,
BMGC_DG18951,BMG_DG262661,,,,
BMGC_DG18952,BMG_DG262662,,,,
BMGC_DG18953,BMG_DG262663,,,,
BMGC_DG18954,BMG_DG262664,,,,
BMGC_DG18955,BMG_DG262665,,,,
BMGC_DG18956,BMG_DG262666,,,,
BMGC_DG18957,BMG_DG262667,,,,
BMGC_DG18958,BMG_DG262668,,,,
BMGC_DG18959,BMG_DG262669,,,,
BMGC_DG18960,BMG_DG262670,,,,
BMGC_DG18961,BMG_DG262671,,,,
BMGC_DG18962,BMG_DG262672,,,,
BMGC_DG18963,BMG_DG262673,,,,
BMGC_DG18964,BMG_DG262674,,,,
BMGC_DG18965,BMG_DG262675,,,,
BMGC_DG18966,BMG_DG262676,,,,
BMGC_DG18967,BMG_DG262678,,,,
BMGC_DG18968,BMG_DG262680,,,,
BMGC_DG18969,BMG_DG262681,,,,
BMGC_DG18970,BMG_DG262682,,,,
BMGC_DG18971,BMG_DG262683,,,,
BMGC_DG18972,BMG_DG262684,,,,
BMGC_DG18973,BMG_DG262685,,,,
BMGC_DG18974,BMG_DG262686,,,,
BMGC_DG18975,BMG_DG262687,,,,
BMGC_DG18976,BMG_DG262688,,,,
BMGC_DG18977,BMG_DG262689,,,,
BMGC_DG18978,BMG_DG262691,,,,
BMGC_DG18979,BMG_DG262693,,,,
BMGC_DG18980,BMG_DG262694,,,,
BMGC_DG18981,BMG_DG262695,,,,
BMGC_DG18982,BMG_DG262696,,,,
BMGC_DG18983,BMG_DG262699,,,,
BMGC_DG18984,BMG_DG262702,,,,
BMGC_DG18985,BMG_DG262707,,,,
BMGC_DG18986,BMG_DG262708,,,,
BMGC_DG18987,BMG_DG262709,,,,
BMGC_DG18988,BMG_DG262712,,,,
BMGC_DG18989,BMG_DG262722,,,,
BMGC_DG18990,BMG_DG262723,,,,
BMGC_DG18991,BMG_DG262725,,,,
BMGC_DG18992,BMG_DG262726,,,,
BMGC_DG18993,BMG_DG262727,,,,
BMGC_DG18994,BMG_DG262728,,,,
BMGC_DG18995,BMG_DG262729,,,,
BMGC_DG18996,BMG_DG262730,,,,
BMGC_DG18997,BMG_DG262732,,,,
BMGC_DG18998,BMG_DG262733,,,,
BMGC_DG18999,BMG_DG262739,,,,
BMGC_DG19000,BMG_DG262744,,,,
BMGC_DG19001,BMG_DG262748,,,,
BMGC_DG19002,BMG_DG262749,,,,
BMGC_DG19003,BMG_DG262751,,,,
BMGC_DG19004,BMG_DG262770,,,,
BMGC_DG19005,BMG_DG262807,,,,
BMGC_DG19006,BMG_DG262809,,,,
BMGC_DG19007,BMG_DG262810,,,,
BMGC_DG19008,BMG_DG262813,,,,
BMGC_DG19009,BMG_DG262826,,,,
BMGC_DG19010,BMG_DG262829,,,,
BMGC_DG19011,BMG_DG262831,,,,
BMGC_DG19012,BMG_DG262838,,,,
BMGC_DG19013,BMG_DG262845,,,,
BMGC_DG19014,BMG_DG262856,,,,
BMGC_DG19015,BMG_DG262857,,,,
BMGC_DG19016,BMG_DG262858,,,,
BMGC_DG19017,BMG_DG262859,,,,
BMGC_DG19018,BMG_DG262860,,,,
BMGC_DG19019,BMG_DG262861,,,,
BMGC_DG19020,BMG_DG262865,,,,
BMGC_DG19021,BMG_DG262871,,,,
BMGC_DG19022,BMG_DG262872,,,,
BMGC_DG19023,BMG_DG262875,,,,
BMGC_DG19024,BMG_DG262877,,,,
BMGC_DG19025,BMG_DG262878,,,,
BMGC_DG19026,BMG_DG262882,,,,
BMGC_DG19027,BMG_DG262884,,,,
BMGC_DG19028,BMG_DG262889,,,,
BMGC_DG19029,BMG_DG262890,,,,
BMGC_DG19030,BMG_DG262891,,,,
BMGC_DG19031,BMG_DG262893,,,,
BMGC_DG19032,BMG_DG262894,,,,
BMGC_DG19033,BMG_DG262895,,,,
BMGC_DG19034,BMG_DG262898,,,,
BMGC_DG19035,BMG_DG262899,,,,
BMGC_DG19036,BMG_DG262900,,,,
BMGC_DG19037,BMG_DG262901,,,,
BMGC_DG19038,BMG_DG262902,,,,
BMGC_DG19039,BMG_DG262903,,,,
BMGC_DG19040,BMG_DG262904,,,,
BMGC_DG19041,BMG_DG262907,,,,
BMGC_DG19042,BMG_DG262908,,,,
BMGC_DG19043,BMG_DG262909,,,,
BMGC_DG19044,BMG_DG262910,,,,
BMGC_DG19045,BMG_DG262911,,,,
BMGC_DG19046,BMG_DG262912,,,,
BMGC_DG19047,BMG_DG262913,,,,
BMGC_DG19048,BMG_DG262914,,,,
BMGC_DG19049,BMG_DG262916,,,,
BMGC_DG19050,BMG_DG262917,,,,
BMGC_DG19051,BMG_DG262918,,,,
BMGC_DG19052,BMG_DG262919,,,,
BMGC_DG19053,BMG_DG262920,,,,
BMGC_DG19054,BMG_DG262921,,,,
BMGC_DG19055,BMG_DG262922,,,,
BMGC_DG19056,BMG_DG262923,,,,
BMGC_DG19057,BMG_DG262924,,,,
BMGC_DG19058,BMG_DG262925,,,,
BMGC_DG19059,BMG_DG262926,,,,
BMGC_DG19060,BMG_DG262927,,,,
BMGC_DG19061,BMG_DG262928,,,,
BMGC_DG19062,BMG_DG262929,,,,
BMGC_DG19063,BMG_DG262930,,,,
BMGC_DG19064,BMG_DG262931,,,,
BMGC_DG19065,BMG_DG262932,,,,
BMGC_DG19066,BMG_DG262934,,,,
BMGC_DG19067,BMG_DG262935,,,,
BMGC_DG19068,BMG_DG262937,,,,
BMGC_DG19069,BMG_DG262938,,,,
BMGC_DG19070,BMG_DG262939,,,,
BMGC_DG19071,BMG_DG262942,,,,
BMGC_DG19072,BMG_DG262945,,,,
BMGC_DG19073,BMG_DG262946,,,,
BMGC_DG19074,BMG_DG262947,,,,
BMGC_DG19075,BMG_DG262949,,,,
BMGC_DG19076,BMG_DG262950,,,,
BMGC_DG19077,BMG_DG262951,,,,
BMGC_DG19078,BMG_DG262953,,,,
BMGC_DG19079,BMG_DG262957,,,,
BMGC_DG19080,BMG_DG262958,,,,
BMGC_DG19081,BMG_DG262960,,,,
BMGC_DG19082,BMG_DG262961,,,,
BMGC_DG19083,BMG_DG262962,,,,
BMGC_DG19084,BMG_DG262963,,,,
BMGC_DG19085,BMG_DG262964,,,,
BMGC_DG19086,BMG_DG262965,,,,
BMGC_DG19087,BMG_DG262966,,,,
BMGC_DG19088,BMG_DG262967,,,,
BMGC_DG19089,BMG_DG262968,,,,
BMGC_DG19090,BMG_DG262969,,,,
BMGC_DG19091,BMG_DG262970,,,,
BMGC_DG19092,BMG_DG262972,,,,
BMGC_DG19093,BMG_DG262973,,,,
BMGC_DG19094,BMG_DG262974,,,,
BMGC_DG19095,BMG_DG262976,,,,
BMGC_DG19096,BMG_DG262977,,,,
BMGC_DG19097,BMG_DG262979,,,,
BMGC_DG19098,BMG_DG262980,,,,
BMGC_DG19099,BMG_DG262981,,,,
BMGC_DG19100,BMG_DG262982,,,,
BMGC_DG19101,BMG_DG262983,,,,
BMGC_DG19102,BMG_DG262984,,,,
BMGC_DG19103,BMG_DG262986,,,,
BMGC_DG19104,BMG_DG262987,,,,
BMGC_DG19105,BMG_DG262990,,,,
BMGC_DG19106,BMG_DG262991,,,,
BMGC_DG19107,BMG_DG262993,,,,
BMGC_DG19108,BMG_DG262995,,,,
BMGC_DG19109,BMG_DG262996,,,,
BMGC_DG19110,BMG_DG262997,,,,
BMGC_DG19111,BMG_DG263000,,,,
BMGC_DG19112,BMG_DG263001,,,,
BMGC_DG19113,BMG_DG263002,,,,
BMGC_DG19114,BMG_DG263003,,,,
BMGC_DG19115,BMG_DG263004,,,,
BMGC_DG19116,BMG_DG263005,,,,
BMGC_DG19117,BMG_DG263006,,,,
BMGC_DG19118,BMG_DG263007,,,,
BMGC_DG19119,BMG_DG263009,,,,
BMGC_DG19120,BMG_DG263012,,,,
BMGC_DG19121,BMG_DG263013,,,,
BMGC_DG19122,BMG_DG263015,,,,
BMGC_DG19123,BMG_DG263016,,,,
BMGC_DG19124,BMG_DG263018,,,,
BMGC_DG19125,BMG_DG263019,,,,
BMGC_DG19126,BMG_DG263022,,,,
BMGC_DG19127,BMG_DG263024,,,,
BMGC_DG19128,BMG_DG263025,,,,
BMGC_DG19129,BMG_DG263026,,,,
BMGC_DG19130,BMG_DG263027,,,,
BMGC_DG19131,BMG_DG263028,,,,
BMGC_DG19132,BMG_DG263029,,,,
BMGC_DG19133,BMG_DG263030,,,,
BMGC_DG19134,BMG_DG263031,,,,
BMGC_DG19135,BMG_DG263033,,,,
BMGC_DG19136,BMG_DG263034,,,,
BMGC_DG19137,BMG_DG263036,,,,
BMGC_DG19138,BMG_DG263037,,,,
BMGC_DG19139,BMG_DG263038,,,,
BMGC_DG19140,BMG_DG263039,,,,
BMGC_DG19141,BMG_DG263041,,,,
BMGC_DG19142,BMG_DG263042,,,,
BMGC_DG19143,BMG_DG263044,,,,
BMGC_DG19144,BMG_DG263045,,,,
BMGC_DG19145,BMG_DG263046,,,,
BMGC_DG19146,BMG_DG263047,,,,
BMGC_DG19147,BMG_DG263048,,,,
BMGC_DG19148,BMG_DG263049,,,,
BMGC_DG19149,BMG_DG263050,,,,
BMGC_DG19150,BMG_DG263051,,,,
BMGC_DG19151,BMG_DG263052,,,,
BMGC_DG19152,BMG_DG263053,,,,
BMGC_DG19153,BMG_DG263055,,,,
BMGC_DG19154,BMG_DG263056,,,,
BMGC_DG19155,BMG_DG263057,,,,
BMGC_DG19156,BMG_DG263058,,,,
BMGC_DG19157,BMG_DG263059,,,,
BMGC_DG19158,BMG_DG263060,,,,
BMGC_DG19159,BMG_DG263062,,,,
BMGC_DG19160,BMG_DG263063,,,,
BMGC_DG19161,BMG_DG263064,,,,
BMGC_DG19162,BMG_DG263065,,,,
BMGC_DG19163,BMG_DG263067,,,,
BMGC_DG19164,BMG_DG263070,,,,
BMGC_DG19165,BMG_DG263071,,,,
BMGC_DG19166,BMG_DG263072,,,,
BMGC_DG19167,BMG_DG263073,,,,
BMGC_DG19168,BMG_DG263074,,,,
BMGC_DG19169,BMG_DG263075,,,,
BMGC_DG19170,BMG_DG263077,,,,
BMGC_DG19171,BMG_DG263078,,,,
BMGC_DG19172,BMG_DG263079,,,,
BMGC_DG19173,BMG_DG263081,,,,
BMGC_DG19174,BMG_DG263082,,,,
BMGC_DG19175,BMG_DG263083,,,,
BMGC_DG19176,BMG_DG263085,,,,
BMGC_DG19177,BMG_DG263087,,,,
BMGC_DG19178,BMG_DG263089,,,,
BMGC_DG19179,BMG_DG263090,,,,
BMGC_DG19180,BMG_DG263092,,,,
BMGC_DG19181,BMG_DG263093,,,,
BMGC_DG19182,BMG_DG263094,,,,
BMGC_DG19183,BMG_DG263095,,,,
BMGC_DG19184,BMG_DG263096,,,,
BMGC_DG19185,BMG_DG263098,,,,
BMGC_DG19186,BMG_DG263099,,,,
BMGC_DG19187,BMG_DG263100,,,,
BMGC_DG19188,BMG_DG263101,,,,
BMGC_DG19189,BMG_DG263102,,,,
BMGC_DG19190,BMG_DG263103,,,,
BMGC_DG19191,BMG_DG263104,,,,
BMGC_DG19192,BMG_DG263105,,,,
BMGC_DG19193,BMG_DG263106,,,,
BMGC_DG19194,BMG_DG263107,,,,
BMGC_DG19195,BMG_DG263108,,,,
BMGC_DG19196,BMG_DG263109,,,,
BMGC_DG19197,BMG_DG263110,,,,
BMGC_DG19198,BMG_DG263111,,,,
BMGC_DG19199,BMG_DG263113,,,,
BMGC_DG19200,BMG_DG263114,,,,
BMGC_DG19201,BMG_DG263115,,,,
BMGC_DG19202,BMG_DG263116,,,,
BMGC_DG19203,BMG_DG263117,,,,
BMGC_DG19204,BMG_DG263118,,,,
BMGC_DG19205,BMG_DG263120,,,,
BMGC_DG19206,BMG_DG263121,,,,
BMGC_DG19207,BMG_DG263122,,,,
BMGC_DG19208,BMG_DG263124,,,,
BMGC_DG19209,BMG_DG263125,,,,
BMGC_DG19210,BMG_DG263126,,,,
BMGC_DG19211,BMG_DG263128,,,,
BMGC_DG19212,BMG_DG263129,,,,
BMGC_DG19213,BMG_DG263130,,,,
BMGC_DG19214,BMG_DG263132,,,,
BMGC_DG19215,BMG_DG263133,,,,
BMGC_DG19216,BMG_DG263134,,,,
BMGC_DG19217,BMG_DG263135,,,,
BMGC_DG19218,BMG_DG263137,,,,
BMGC_DG19219,BMG_DG263139,,,,
BMGC_DG19220,BMG_DG263140,,,,
BMGC_DG19221,BMG_DG263141,,,,
BMGC_DG19222,BMG_DG263142,,,,
BMGC_DG19223,BMG_DG263143,,,,
BMGC_DG19224,BMG_DG263144,,,,
BMGC_DG19225,BMG_DG263145,,,,
BMGC_DG19226,BMG_DG263146,,,,
BMGC_DG19227,BMG_DG263151,,,,
BMGC_DG19228,BMG_DG263152,,,,
BMGC_DG19229,BMG_DG263153,,,,
BMGC_DG19230,BMG_DG263154,,,,
BMGC_DG19231,BMG_DG263158,,,,
BMGC_DG19232,BMG_DG263159,,,,
BMGC_DG19233,BMG_DG263160,,,,
BMGC_DG19234,BMG_DG263161,,,,
BMGC_DG19235,BMG_DG263162,,,,
BMGC_DG19236,BMG_DG263163,,,,
BMGC_DG19237,BMG_DG263164,,,,
BMGC_DG19238,BMG_DG263166,,,,
BMGC_DG19239,BMG_DG263167,,,,
BMGC_DG19240,BMG_DG263168,,,,
BMGC_DG19241,BMG_DG263169,,,,
BMGC_DG19242,BMG_DG263170,,,,
BMGC_DG19243,BMG_DG263171,,,,
BMGC_DG19244,BMG_DG263172,,,,
BMGC_DG19245,BMG_DG263173,,,,
BMGC_DG19246,BMG_DG263174,,,,
BMGC_DG19247,BMG_DG263175,,,,
BMGC_DG19248,BMG_DG263176,,,,
BMGC_DG19249,BMG_DG263178,,,,
BMGC_DG19250,BMG_DG263179,,,,
BMGC_DG19251,BMG_DG263180,,,,
BMGC_DG19252,BMG_DG263183,,,,
BMGC_DG19253,BMG_DG263184,,,,
BMGC_DG19254,BMG_DG263185,,,,
BMGC_DG19255,BMG_DG263187,,,,
BMGC_DG19256,BMG_DG263188,,,,
BMGC_DG19257,BMG_DG263190,,,,
BMGC_DG19258,BMG_DG263191,,,,
BMGC_DG19259,BMG_DG263192,,,,
BMGC_DG19260,BMG_DG263193,,,,
BMGC_DG19261,BMG_DG263194,,,,
BMGC_DG19262,BMG_DG263195,,,,
BMGC_DG19263,BMG_DG263196,,,,
BMGC_DG19264,BMG_DG263197,,,,
BMGC_DG19265,BMG_DG263199,,,,
BMGC_DG19266,BMG_DG263201,,,,
BMGC_DG19267,BMG_DG263202,,,,
BMGC_DG19268,BMG_DG263203,,,,
BMGC_DG19269,BMG_DG263204,,,,
BMGC_DG19270,BMG_DG263206,,,,
BMGC_DG19271,BMG_DG263208,,,,
BMGC_DG19272,BMG_DG263211,,,,
BMGC_DG19273,BMG_DG263212,,,,
BMGC_DG19274,BMG_DG263215,,,,
BMGC_DG19275,BMG_DG263216,,,,
BMGC_DG19276,BMG_DG263217,,,,
BMGC_DG19277,BMG_DG263218,,,,
BMGC_DG19278,BMG_DG263219,,,,
BMGC_DG19279,BMG_DG263220,,,,
BMGC_DG19280,BMG_DG263221,,,,
BMGC_DG19281,BMG_DG263222,,,,
BMGC_DG19282,BMG_DG263223,,,,
BMGC_DG19283,BMG_DG263224,,,,
BMGC_DG19284,BMG_DG263227,,,,
BMGC_DG19285,BMG_DG263228,,,,
BMGC_DG19286,BMG_DG263229,,,,
BMGC_DG19287,BMG_DG263230,,,,
BMGC_DG19288,BMG_DG263232,,,,
BMGC_DG19289,BMG_DG263233,,,,
BMGC_DG19290,BMG_DG263234,,,,
BMGC_DG19291,BMG_DG263236,,,,
BMGC_DG19292,BMG_DG263237,,,,
BMGC_DG19293,BMG_DG263238,,,,
BMGC_DG19294,BMG_DG263239,,,,
BMGC_DG19295,BMG_DG263240,,,,
BMGC_DG19296,BMG_DG263243,,,,
BMGC_DG19297,BMG_DG263244,,,,
BMGC_DG19298,BMG_DG263246,,,,
BMGC_DG19299,BMG_DG263248,,,,
BMGC_DG19300,BMG_DG263249,,,,
BMGC_DG19301,BMG_DG263250,,,,
BMGC_DG19302,BMG_DG263251,,,,
BMGC_DG19303,BMG_DG263252,,,,
BMGC_DG19304,BMG_DG263253,,,,
BMGC_DG19305,BMG_DG263254,,,,
BMGC_DG19306,BMG_DG263255,,,,
BMGC_DG19307,BMG_DG263256,,,,
BMGC_DG19308,BMG_DG263257,,,,
BMGC_DG19309,BMG_DG263258,,,,
BMGC_DG19310,BMG_DG263259,,,,
BMGC_DG19311,BMG_DG263260,,,,
BMGC_DG19312,BMG_DG263261,,,,
BMGC_DG19313,BMG_DG263263,,,,
BMGC_DG19314,BMG_DG263264,,,,
BMGC_DG19315,BMG_DG263265,,,,
BMGC_DG19316,BMG_DG263266,,,,
BMGC_DG19317,BMG_DG263267,,,,
BMGC_DG19318,BMG_DG263268,,,,
BMGC_DG19319,BMG_DG263269,,,,
BMGC_DG19320,BMG_DG263270,,,,
BMGC_DG19321,BMG_DG263271,,,,
BMGC_DG19322,BMG_DG263272,,,,
BMGC_DG19323,BMG_DG263273,,,,
BMGC_DG19324,BMG_DG263276,,,,
BMGC_DG19325,BMG_DG263277,,,,
BMGC_DG19326,BMG_DG263278,,,,
BMGC_DG19327,BMG_DG263279,,,,
BMGC_DG19328,BMG_DG263280,,,,
BMGC_DG19329,BMG_DG263281,,,,
BMGC_DG19330,BMG_DG263282,,,,
BMGC_DG19331,BMG_DG263284,,,,
BMGC_DG19332,BMG_DG263285,,,,
BMGC_DG19333,BMG_DG263287,,,,
BMGC_DG19334,BMG_DG263288,,,,
BMGC_DG19335,BMG_DG263289,,,,
BMGC_DG19336,BMG_DG263290,,,,
BMGC_DG19337,BMG_DG263291,,,,
BMGC_DG19338,BMG_DG263292,,,,
BMGC_DG19339,BMG_DG263294,,,,
BMGC_DG19340,BMG_DG263295,,,,
BMGC_DG19341,BMG_DG263296,,,,
BMGC_DG19342,BMG_DG263297,,,,
BMGC_DG19343,BMG_DG263298,,,,
BMGC_DG19344,BMG_DG263299,,,,
BMGC_DG19345,BMG_DG263300,,,,
BMGC_DG19346,BMG_DG263301,,,,
BMGC_DG19347,BMG_DG263302,,,,
BMGC_DG19348,BMG_DG263304,,,,
BMGC_DG19349,BMG_DG263305,,,,
BMGC_DG19350,BMG_DG263306,,,,
BMGC_DG19351,BMG_DG263308,,,,
BMGC_DG19352,BMG_DG263309,,,,
BMGC_DG19353,BMG_DG263311,,,,
BMGC_DG19354,BMG_DG263312,,,,
BMGC_DG19355,BMG_DG263313,,,,
BMGC_DG19356,BMG_DG263315,,,,
BMGC_DG19357,BMG_DG263316,,,,
BMGC_DG19358,BMG_DG263317,,,,
BMGC_DG19359,BMG_DG263320,,,,
BMGC_DG19360,BMG_DG263323,,,,
BMGC_DG19361,BMG_DG263324,,,,
BMGC_DG19362,BMG_DG263325,,,,
BMGC_DG19363,BMG_DG263326,,,,
BMGC_DG19364,BMG_DG263330,,,,
BMGC_DG19365,BMG_DG263331,,,,
BMGC_DG19366,BMG_DG263333,,,,
BMGC_DG19367,BMG_DG263334,,,,
BMGC_DG19368,BMG_DG263336,,,,
BMGC_DG19369,BMG_DG263340,,,,
BMGC_DG19370,BMG_DG263341,,,,
BMGC_DG19371,BMG_DG263342,,,,
BMGC_DG19372,BMG_DG263343,,,,
BMGC_DG19373,BMG_DG263344,,,,
BMGC_DG19374,BMG_DG263345,,,,
BMGC_DG19375,BMG_DG263346,,,,
BMGC_DG19376,BMG_DG263347,,,,
BMGC_DG19377,BMG_DG263348,,,,
BMGC_DG19378,BMG_DG263349,,,,
BMGC_DG19379,BMG_DG263350,,,,
BMGC_DG19380,BMG_DG263351,,,,
BMGC_DG19381,BMG_DG263352,,,,
BMGC_DG19382,BMG_DG263353,,,,
BMGC_DG19383,BMG_DG263354,,,,
BMGC_DG19384,BMG_DG263355,,,,
BMGC_DG19385,BMG_DG263358,,,,
BMGC_DG19386,BMG_DG263359,,,,
BMGC_DG19387,BMG_DG263361,,,,
BMGC_DG19388,BMG_DG263363,,,,
BMGC_DG19389,BMG_DG263364,,,,
BMGC_DG19390,BMG_DG263365,,,,
BMGC_DG19391,BMG_DG263366,,,,
BMGC_DG19392,BMG_DG263368,,,,
BMGC_DG19393,BMG_DG263369,,,,
BMGC_DG19394,BMG_DG263370,,,,
BMGC_DG19395,BMG_DG263371,,,,
BMGC_DG19396,BMG_DG263372,,,,
BMGC_DG19397,BMG_DG263374,,,,
BMGC_DG19398,BMG_DG263375,,,,
BMGC_DG19399,BMG_DG263376,,,,
BMGC_DG19400,BMG_DG263378,,,,
BMGC_DG19401,BMG_DG263379,,,,
BMGC_DG19402,BMG_DG263380,,,,
BMGC_DG19403,BMG_DG263381,,,,
BMGC_DG19404,BMG_DG263382,,,,
BMGC_DG19405,BMG_DG263383,,,,
BMGC_DG19406,BMG_DG263384,,,,
BMGC_DG19407,BMG_DG263385,,,,
BMGC_DG19408,BMG_DG263386,,,,
BMGC_DG19409,BMG_DG263387,,,,
BMGC_DG19410,BMG_DG263388,,,,
BMGC_DG19411,BMG_DG263389,,,,
BMGC_DG19412,BMG_DG263390,,,,
BMGC_DG19413,BMG_DG263391,,,,
BMGC_DG19414,BMG_DG263392,,,,
BMGC_DG19415,BMG_DG263393,,,,
BMGC_DG19416,BMG_DG263395,,,,
BMGC_DG19417,BMG_DG263396,,,,
BMGC_DG19418,BMG_DG263397,,,,
BMGC_DG19419,BMG_DG263398,,,,
BMGC_DG19420,BMG_DG263400,,,,
BMGC_DG19421,BMG_DG263403,,,,
BMGC_DG19422,BMG_DG263404,,,,
BMGC_DG19423,BMG_DG263406,,,,
BMGC_DG19424,BMG_DG263409,,,,
BMGC_DG19425,BMG_DG263411,,,,
BMGC_DG19426,BMG_DG263412,,,,
BMGC_DG19427,BMG_DG263413,,,,
BMGC_DG19428,BMG_DG263414,,,,
BMGC_DG19429,BMG_DG263415,,,,
BMGC_DG19430,BMG_DG263417,,,,
BMGC_DG19431,BMG_DG263418,,,,
BMGC_DG19432,BMG_DG263420,,,,
BMGC_DG19433,BMG_DG263421,,,,
BMGC_DG19434,BMG_DG263423,,,,
BMGC_DG19435,BMG_DG263424,,,,
BMGC_DG19436,BMG_DG263426,,,,
BMGC_DG19437,BMG_DG263427,,,,
BMGC_DG19438,BMG_DG263428,,,,
BMGC_DG19439,BMG_DG263429,,,,
BMGC_DG19440,BMG_DG263430,,,,
BMGC_DG19441,BMG_DG263432,,,,
BMGC_DG19442,BMG_DG263433,,,,
BMGC_DG19443,BMG_DG263434,,,,
BMGC_DG19444,BMG_DG263436,,,,
BMGC_DG19445,BMG_DG263437,,,,
BMGC_DG19446,BMG_DG263438,,,,
BMGC_DG19447,BMG_DG263439,,,,
BMGC_DG19448,BMG_DG263440,,,,
BMGC_DG19449,BMG_DG263441,,,,
BMGC_DG19450,BMG_DG263442,,,,
BMGC_DG19451,BMG_DG263444,,,,
BMGC_DG19452,BMG_DG263445,,,,
BMGC_DG19453,BMG_DG263447,,,,
BMGC_DG19454,BMG_DG263448,,,,
BMGC_DG19455,BMG_DG263450,,,,
BMGC_DG19456,BMG_DG263451,,,,
BMGC_DG19457,BMG_DG263452,,,,
BMGC_DG19458,BMG_DG263453,,,,
BMGC_DG19459,BMG_DG263454,,,,
BMGC_DG19460,BMG_DG263455,,,,
BMGC_DG19461,BMG_DG263457,,,,
BMGC_DG19462,BMG_DG263458,,,,
BMGC_DG19463,BMG_DG263459,,,,
BMGC_DG19464,BMG_DG263460,,,,
BMGC_DG19465,BMG_DG263461,,,,
BMGC_DG19466,BMG_DG263462,,,,
BMGC_DG19467,BMG_DG263463,,,,
BMGC_DG19468,BMG_DG263464,,,,
BMGC_DG19469,BMG_DG263466,,,,
BMGC_DG19470,BMG_DG263468,,,,
BMGC_DG19471,BMG_DG263469,,,,
BMGC_DG19472,BMG_DG263470,,,,
BMGC_DG19473,BMG_DG263471,,,,
BMGC_DG19474,BMG_DG263472,,,,
BMGC_DG19475,BMG_DG263473,,,,
BMGC_DG19476,BMG_DG263475,,,,
BMGC_DG19477,BMG_DG263476,,,,
BMGC_DG19478,BMG_DG263477,,,,
BMGC_DG19479,BMG_DG263478,,,,
BMGC_DG19480,BMG_DG263479,,,,
BMGC_DG19481,BMG_DG263480,,,,
BMGC_DG19482,BMG_DG263481,,,,
BMGC_DG19483,BMG_DG263482,,,,
BMGC_DG19484,BMG_DG263483,,,,
BMGC_DG19485,BMG_DG263484,,,,
BMGC_DG19486,BMG_DG263485,,,,
BMGC_DG19487,BMG_DG263486,,,,
BMGC_DG19488,BMG_DG263487,,,,
BMGC_DG19489,BMG_DG263488,,,,
BMGC_DG19490,BMG_DG263489,,,,
BMGC_DG19491,BMG_DG263490,,,,
BMGC_DG19492,BMG_DG263491,,,,
BMGC_DG19493,BMG_DG263493,,,,
BMGC_DG19494,BMG_DG263494,,,,
BMGC_DG19495,BMG_DG263495,,,,
BMGC_DG19496,BMG_DG263496,,,,
BMGC_DG19497,BMG_DG263497,,,,
BMGC_DG19498,BMG_DG263498,,,,
BMGC_DG19499,BMG_DG263499,,,,
BMGC_DG19500,BMG_DG263500,,,,
BMGC_DG19501,BMG_DG263501,,,,
BMGC_DG19502,BMG_DG263502,,,,
BMGC_DG19503,BMG_DG263503,,,,
BMGC_DG19504,BMG_DG263504,,,,
BMGC_DG19505,BMG_DG263505,,,,
BMGC_DG19506,BMG_DG263507,,,,
BMGC_DG19507,BMG_DG263508,,,,
BMGC_DG19508,BMG_DG263509,,,,
BMGC_DG19509,BMG_DG263510,,,,
BMGC_DG19510,BMG_DG263511,,,,
BMGC_DG19511,BMG_DG263512,,,,
BMGC_DG19512,BMG_DG263514,,,,
BMGC_DG19513,BMG_DG263515,,,,
BMGC_DG19514,BMG_DG263516,,,,
BMGC_DG19515,BMG_DG263517,,,,
BMGC_DG19516,BMG_DG263518,,,,
BMGC_DG19517,BMG_DG263519,,,,
BMGC_DG19518,BMG_DG263520,,,,
BMGC_DG19519,BMG_DG263521,,,,
BMGC_DG19520,BMG_DG263522,,,,
BMGC_DG19521,BMG_DG263523,,,,
BMGC_DG19522,BMG_DG263524,,,,
BMGC_DG19523,BMG_DG263525,,,,
BMGC_DG19524,BMG_DG263526,,,,
BMGC_DG19525,BMG_DG263527,,,,
BMGC_DG19526,BMG_DG263530,,,,
BMGC_DG19527,BMG_DG263531,,,,
BMGC_DG19528,BMG_DG263532,,,,
BMGC_DG19529,BMG_DG263535,,,,
BMGC_DG19530,BMG_DG263536,,,,
BMGC_DG19531,BMG_DG263537,,,,
BMGC_DG19532,BMG_DG263538,,,,
BMGC_DG19533,BMG_DG263539,,,,
BMGC_DG19534,BMG_DG263541,,,,
BMGC_DG19535,BMG_DG263542,,,,
BMGC_DG19536,BMG_DG263544,,,,
BMGC_DG19537,BMG_DG263546,,,,
BMGC_DG19538,BMG_DG263547,,,,
BMGC_DG19539,BMG_DG263548,,,,
BMGC_DG19540,BMG_DG263549,,,,
BMGC_DG19541,BMG_DG263550,,,,
BMGC_DG19542,BMG_DG263551,,,,
BMGC_DG19543,BMG_DG263552,,,,
BMGC_DG19544,BMG_DG263553,,,,
BMGC_DG19545,BMG_DG263554,,,,
BMGC_DG19546,BMG_DG263555,,,,
BMGC_DG19547,BMG_DG263556,,,,
BMGC_DG19548,BMG_DG263557,,,,
BMGC_DG19549,BMG_DG263558,,,,
BMGC_DG19550,BMG_DG263559,,,,
BMGC_DG19551,BMG_DG263560,,,,
BMGC_DG19552,BMG_DG263561,,,,
BMGC_DG19553,BMG_DG263563,,,,
BMGC_DG19554,BMG_DG263564,,,,
BMGC_DG19555,BMG_DG263566,,,,
BMGC_DG19556,BMG_DG263567,,,,
BMGC_DG19557,BMG_DG263568,,,,
BMGC_DG19558,BMG_DG263569,,,,
BMGC_DG19559,BMG_DG263570,,,,
BMGC_DG19560,BMG_DG263571,,,,
BMGC_DG19561,BMG_DG263572,,,,
BMGC_DG19562,BMG_DG263574,,,,
BMGC_DG19563,BMG_DG263575,,,,
BMGC_DG19564,BMG_DG263577,,,,
BMGC_DG19565,BMG_DG263578,,,,
BMGC_DG19566,BMG_DG263579,,,,
BMGC_DG19567,BMG_DG263580,,,,
BMGC_DG19568,BMG_DG263581,,,,
BMGC_DG19569,BMG_DG263582,,,,
BMGC_DG19570,BMG_DG263583,,,,
BMGC_DG19571,BMG_DG263584,,,,
BMGC_DG19572,BMG_DG263585,,,,
BMGC_DG19573,BMG_DG263586,,,,
BMGC_DG19574,BMG_DG263587,,,,
BMGC_DG19575,BMG_DG263588,,,,
BMGC_DG19576,BMG_DG263590,,,,
BMGC_DG19577,BMG_DG263592,,,,
BMGC_DG19578,BMG_DG263593,,,,
BMGC_DG19579,BMG_DG263595,,,,
BMGC_DG19580,BMG_DG263596,,,,
BMGC_DG19581,BMG_DG263598,,,,
BMGC_DG19582,BMG_DG263599,,,,
BMGC_DG19583,BMG_DG263601,,,,
BMGC_DG19584,BMG_DG263602,,,,
BMGC_DG19585,BMG_DG263603,,,,
BMGC_DG19586,BMG_DG263604,,,,
BMGC_DG19587,BMG_DG263605,,,,
BMGC_DG19588,BMG_DG263606,,,,
BMGC_DG19589,BMG_DG263607,,,,
BMGC_DG19590,BMG_DG263608,,,,
BMGC_DG19591,BMG_DG263609,,,,
BMGC_DG19592,BMG_DG263610,,,,
BMGC_DG19593,BMG_DG263611,,,,
BMGC_DG19594,BMG_DG263613,,,,
BMGC_DG19595,BMG_DG263614,,,,
BMGC_DG19596,BMG_DG263615,,,,
BMGC_DG19597,BMG_DG263617,,,,
BMGC_DG19598,BMG_DG263620,,,,
BMGC_DG19599,BMG_DG263621,,,,
BMGC_DG19600,BMG_DG263622,,,,
BMGC_DG19601,BMG_DG263623,,,,
BMGC_DG19602,BMG_DG263625,,,,
BMGC_DG19603,BMG_DG263626,,,,
BMGC_DG19604,BMG_DG263627,,,,
BMGC_DG19605,BMG_DG263628,,,,
BMGC_DG19606,BMG_DG263629,,,,
BMGC_DG19607,BMG_DG263630,,,,
BMGC_DG19608,BMG_DG263631,,,,
BMGC_DG19609,BMG_DG263632,,,,
BMGC_DG19610,BMG_DG263633,,,,
BMGC_DG19611,BMG_DG263634,,,,
BMGC_DG19612,BMG_DG263635,,,,
BMGC_DG19613,BMG_DG263637,,,,
BMGC_DG19614,BMG_DG263638,,,,
BMGC_DG19615,BMG_DG263641,,,,
BMGC_DG19616,BMG_DG263642,,,,
BMGC_DG19617,BMG_DG263644,,,,
BMGC_DG19618,BMG_DG263645,,,,
BMGC_DG19619,BMG_DG263648,,,,
BMGC_DG19620,BMG_DG263649,,,,
BMGC_DG19621,BMG_DG263650,,,,
BMGC_DG19622,BMG_DG263653,,,,
BMGC_DG19623,BMG_DG263656,,,,
BMGC_DG19624,BMG_DG263657,,,,
BMGC_DG19625,BMG_DG263658,,,,
BMGC_DG19626,BMG_DG263659,,,,
BMGC_DG19627,BMG_DG263661,,,,
BMGC_DG19628,BMG_DG263662,,,,
BMGC_DG19629,BMG_DG263664,,,,
BMGC_DG19630,BMG_DG263665,,,,
BMGC_DG19631,BMG_DG263666,,,,
BMGC_DG19632,BMG_DG263667,,,,
BMGC_DG19633,BMG_DG263669,,,,
BMGC_DG19634,BMG_DG263670,,,,
BMGC_DG19635,BMG_DG263671,,,,
BMGC_DG19636,BMG_DG263672,,,,
BMGC_DG19637,BMG_DG263673,,,,
BMGC_DG19638,BMG_DG263674,,,,
BMGC_DG19639,BMG_DG263675,,,,
BMGC_DG19640,BMG_DG263676,,,,
BMGC_DG19641,BMG_DG263677,,,,
BMGC_DG19642,BMG_DG263679,,,,
BMGC_DG19643,BMG_DG263680,,,,
BMGC_DG19644,BMG_DG263681,,,,
BMGC_DG19645,BMG_DG263682,,,,
BMGC_DG19646,BMG_DG263685,,,,
BMGC_DG19647,BMG_DG263686,,,,
BMGC_DG19648,BMG_DG263687,,,,
BMGC_DG19649,BMG_DG263689,,,,
BMGC_DG19650,BMG_DG263690,,,,
BMGC_DG19651,BMG_DG263691,,,,
BMGC_DG19652,BMG_DG263693,,,,
BMGC_DG19653,BMG_DG263694,,,,
BMGC_DG19654,BMG_DG263695,,,,
BMGC_DG19655,BMG_DG263698,,,,
BMGC_DG19656,BMG_DG263699,,,,
BMGC_DG19657,BMG_DG263700,,,,
BMGC_DG19658,BMG_DG263701,,,,
BMGC_DG19659,BMG_DG263703,,,,
BMGC_DG19660,BMG_DG263704,,,,
BMGC_DG19661,BMG_DG263705,,,,
BMGC_DG19662,BMG_DG263706,,,,
BMGC_DG19663,BMG_DG263707,,,,
BMGC_DG19664,BMG_DG263708,,,,
BMGC_DG19665,BMG_DG263709,,,,
BMGC_DG19666,BMG_DG263714,,,,
BMGC_DG19667,BMG_DG263715,,,,
BMGC_DG19668,BMG_DG263716,,,,
BMGC_DG19669,BMG_DG263717,,,,
BMGC_DG19670,BMG_DG263718,,,,
BMGC_DG19671,BMG_DG263719,,,,
BMGC_DG19672,BMG_DG263720,,,,
BMGC_DG19673,BMG_DG263721,,,,
BMGC_DG19674,BMG_DG263722,,,,
BMGC_DG19675,BMG_DG263723,,,,
BMGC_DG19676,BMG_DG263724,,,,
BMGC_DG19677,BMG_DG263725,,,,
BMGC_DG19678,BMG_DG263727,,,,
BMGC_DG19679,BMG_DG263729,,,,
BMGC_DG19680,BMG_DG263730,,,,
BMGC_DG19681,BMG_DG263736,,,,
BMGC_DG19682,BMG_DG263744,,,,
BMGC_DG19683,BMG_DG263745,,,,
BMGC_DG19684,BMG_DG263746,,,,
BMGC_DG19685,BMG_DG263747,,,,
BMGC_DG19686,BMG_DG263748,,,,
BMGC_DG19687,BMG_DG263750,,,,
BMGC_DG19688,BMG_DG263752,,,,
BMGC_DG19689,BMG_DG263753,,,,
BMGC_DG19690,BMG_DG263754,,,,
BMGC_DG19691,BMG_DG263755,,,,
BMGC_DG19692,BMG_DG263756,,,,
BMGC_DG19693,BMG_DG263757,,,,
BMGC_DG19694,BMG_DG263761,,,,
BMGC_DG19695,BMG_DG263762,,,,
BMGC_DG19696,BMG_DG263763,,,,
BMGC_DG19697,BMG_DG263764,,,,
BMGC_DG19698,BMG_DG263765,,,,
BMGC_DG19699,BMG_DG263766,,,,
BMGC_DG19700,BMG_DG263767,,,,
BMGC_DG19701,BMG_DG263769,,,,
BMGC_DG19702,BMG_DG263770,,,,
BMGC_DG19703,BMG_DG263771,,,,
BMGC_DG19704,BMG_DG263772,,,,
BMGC_DG19705,BMG_DG263773,,,,
BMGC_DG19706,BMG_DG263774,,,,
BMGC_DG19707,BMG_DG263775,,,,
BMGC_DG19708,BMG_DG263777,,,,
BMGC_DG19709,BMG_DG263778,,,,
BMGC_DG19710,BMG_DG263779,,,,
BMGC_DG19711,BMG_DG263780,,,,
BMGC_DG19712,BMG_DG263781,,,,
BMGC_DG19713,BMG_DG263782,,,,
BMGC_DG19714,BMG_DG263783,,,,
BMGC_DG19715,BMG_DG263784,,,,
BMGC_DG19716,BMG_DG263785,,,,
BMGC_DG19717,BMG_DG263786,,,,
BMGC_DG19718,BMG_DG263787,,,,
BMGC_DG19719,BMG_DG263788,,,,
BMGC_DG19720,BMG_DG263789,,,,
BMGC_DG19721,BMG_DG263790,,,,
BMGC_DG19722,BMG_DG263791,,,,
BMGC_DG19723,BMG_DG263792,,,,
BMGC_DG19724,BMG_DG263793,,,,
BMGC_DG19725,BMG_DG263794,,,,
BMGC_DG19726,BMG_DG263796,,,,
BMGC_DG19727,BMG_DG263797,,,,
BMGC_DG19728,BMG_DG263798,,,,
BMGC_DG19729,BMG_DG263800,,,,
BMGC_DG19730,BMG_DG263801,,,,
BMGC_DG19731,BMG_DG263802,,,,
BMGC_DG19732,BMG_DG263803,,,,
BMGC_DG19733,BMG_DG263804,,,,
BMGC_DG19734,BMG_DG263805,,,,
BMGC_DG19735,BMG_DG263809,,,,
BMGC_DG19736,BMG_DG263810,,,,
BMGC_DG19737,BMG_DG263811,,,,
BMGC_DG19738,BMG_DG263812,,,,
BMGC_DG19739,BMG_DG263813,,,,
BMGC_DG19740,BMG_DG263814,,,,
BMGC_DG19741,BMG_DG263815,,,,
BMGC_DG19742,BMG_DG263816,,,,
BMGC_DG19743,BMG_DG263817,,,,
BMGC_DG19744,BMG_DG263818,,,,
BMGC_DG19745,BMG_DG263819,,,,
BMGC_DG19746,BMG_DG263820,,,,
BMGC_DG19747,BMG_DG263821,,,,
BMGC_DG19748,BMG_DG263822,,,,
BMGC_DG19749,BMG_DG263823,,,,
BMGC_DG19750,BMG_DG263824,,,,
BMGC_DG19751,BMG_DG263825,,,,
BMGC_DG19752,BMG_DG263826,,,,
BMGC_DG19753,BMG_DG263827,,,,
BMGC_DG19754,BMG_DG263828,,,,
BMGC_DG19755,BMG_DG263829,,,,
BMGC_DG19756,BMG_DG263830,,,,
BMGC_DG19757,BMG_DG263831,,,,
BMGC_DG19758,BMG_DG263832,,,,
BMGC_DG19759,BMG_DG263834,,,,
BMGC_DG19760,BMG_DG263837,,,,
BMGC_DG19761,BMG_DG263843,,,,
BMGC_DG19762,BMG_DG263846,,,,
BMGC_DG19763,BMG_DG263853,,,,
BMGC_DG19764,BMG_DG263854,,,,
BMGC_DG19765,BMG_DG263857,,,,
BMGC_DG19766,BMG_DG263863,,,,
BMGC_DG19767,BMG_DG263868,,,,
BMGC_DG19768,BMG_DG263881,,,,
BMGC_DG19769,BMG_DG263883,,,,
BMGC_DG19770,BMG_DG263884,,,,
BMGC_DG19771,BMG_DG263885,,,,
BMGC_DG19772,BMG_DG263886,,,,
BMGC_DG19773,BMG_DG263889,,,,
BMGC_DG19774,BMG_DG263890,,,,
BMGC_DG19775,BMG_DG263901,,,,
BMGC_DG19776,BMG_DG263903,,,,
BMGC_DG19777,BMG_DG263912,,,,
BMGC_DG19778,BMG_DG263930,,,,
BMGC_DG19779,BMG_DG263939,,,,
BMGC_DG19780,BMG_DG263940,,,,
BMGC_DG19781,BMG_DG263941,,,,
BMGC_DG19782,BMG_DG263942,,,,
BMGC_DG19783,BMG_DG263943,,,,
BMGC_DG19784,BMG_DG263944,,,,
BMGC_DG19785,BMG_DG263949,,,,
BMGC_DG19786,BMG_DG263950,,,,
BMGC_DG19787,BMG_DG263963,,,,
BMGC_DG19788,BMG_DG263964,,,,
BMGC_DG19789,BMG_DG263965,,,,
BMGC_DG19790,BMG_DG263966,,,,
BMGC_DG19791,BMG_DG263967,,,,
BMGC_DG19792,BMG_DG263968,,,,
BMGC_DG19793,BMG_DG263969,,,,
BMGC_DG19794,BMG_DG263971,,,,
BMGC_DG19795,BMG_DG263972,,,,
BMGC_DG19796,BMG_DG263973,,,,
BMGC_DG19797,BMG_DG263984,,,,
BMGC_DG19798,BMG_DG263985,,,,
BMGC_DG19799,BMG_DG263993,,,,
BMGC_DG19800,BMG_DG264009,,,,
BMGC_DG19801,BMG_DG264090,,,,
BMGC_DG19802,BMG_DG264124,,,,
BMGC_DG19803,BMG_DG264135,,,,
BMGC_DG19804,BMG_DG264136,,,,
BMGC_DG19805,BMG_DG264145,,,,
BMGC_DG19806,BMG_DG264160,,,,
BMGC_DG19807,BMG_DG264194,,,,
BMGC_DG19808,BMG_DG264196,,,,
BMGC_DG19809,BMG_DG264199,,,,
BMGC_DG19810,BMG_DG264223,,,,
BMGC_DG19811,BMG_DG264226,,,,
BMGC_DG19812,BMG_DG264227,,,,
BMGC_DG19813,BMG_DG264229,,,,
BMGC_DG19814,BMG_DG264231,,,,
BMGC_DG19815,BMG_DG264232,,,,
BMGC_DG19816,BMG_DG264233,,,,
BMGC_DG19817,BMG_DG264234,,,,
BMGC_DG19818,BMG_DG264235,,,,
BMGC_DG19819,BMG_DG264236,,,,
BMGC_DG19820,BMG_DG264237,,,,
BMGC_DG19821,BMG_DG264238,,,,
BMGC_DG19822,BMG_DG264239,,,,
BMGC_DG19823,BMG_DG264240,,,,
BMGC_DG19824,BMG_DG264244,,,,
BMGC_DG19825,BMG_DG264245,,,,
BMGC_DG19826,BMG_DG264246,,,,
BMGC_DG19827,BMG_DG264247,,,,
BMGC_DG19828,BMG_DG264248,,,,
BMGC_DG19829,BMG_DG264249,,,,
BMGC_DG19830,BMG_DG264251,,,,
BMGC_DG19831,BMG_DG264252,,,,
BMGC_DG19832,BMG_DG264253,,,,
BMGC_DG19833,BMG_DG264254,,,,
BMGC_DG19834,BMG_DG264256,,,,
BMGC_DG19835,BMG_DG264257,,,,
BMGC_DG19836,BMG_DG264258,,,,
BMGC_DG19837,BMG_DG264259,,,,
BMGC_DG19838,BMG_DG264260,,,,
BMGC_DG19839,BMG_DG264261,,,,
BMGC_DG19840,BMG_DG264262,,,,
BMGC_DG19841,BMG_DG264263,,,,
BMGC_DG19842,BMG_DG264264,,,,
BMGC_DG19843,BMG_DG264265,,,,
BMGC_DG19844,BMG_DG264268,,,,
BMGC_DG19845,BMG_DG264269,,,,
BMGC_DG19846,BMG_DG264271,,,,
BMGC_DG19847,BMG_DG264272,,,,
BMGC_DG19848,BMG_DG264273,,,,
BMGC_DG19849,BMG_DG264274,,,,
BMGC_DG19850,BMG_DG264275,,,,
BMGC_DG19851,BMG_DG264277,,,,
BMGC_DG19852,BMG_DG264278,,,,
BMGC_DG19853,BMG_DG264283,,,,
BMGC_DG19854,BMG_DG264284,,,,
BMGC_DG19855,BMG_DG264285,,,,
BMGC_DG19856,BMG_DG264286,,,,
BMGC_DG19857,BMG_DG264287,,,,
BMGC_DG19858,BMG_DG264288,,,,
BMGC_DG19859,BMG_DG264290,,,,
BMGC_DG19860,BMG_DG264304,,,,
BMGC_DG19861,BMG_DG264310,,,,
BMGC_DG19862,BMG_DG264311,,,,
BMGC_DG19863,BMG_DG264312,,,,
BMGC_DG19864,BMG_DG264317,,,,
BMGC_DG19865,BMG_DG264319,,,,
BMGC_DG19866,BMG_DG264321,,,,
BMGC_DG19867,BMG_DG264322,,,,
BMGC_DG19868,BMG_DG264323,,,,
BMGC_DG19869,BMG_DG264324,,,,
BMGC_DG19870,BMG_DG264325,,,,
BMGC_DG19871,BMG_DG264327,,,,
BMGC_DG19872,BMG_DG264338,,,,
BMGC_DG19873,BMG_DG264358,,,,
BMGC_DG19874,BMG_DG264359,,,,
BMGC_DG19875,BMG_DG264365,,,,
BMGC_DG19876,BMG_DG264369,,,,
BMGC_DG19877,BMG_DG264370,,,,
BMGC_DG19878,BMG_DG264371,,,,
BMGC_DG19879,BMG_DG264372,,,,
BMGC_DG19880,BMG_DG264373,,,,
BMGC_DG19881,BMG_DG264375,,,,
BMGC_DG19882,BMG_DG264376,,,,
BMGC_DG19883,BMG_DG264377,,,,
BMGC_DG19884,BMG_DG264378,,,,
BMGC_DG19885,BMG_DG264379,,,,
BMGC_DG19886,BMG_DG264380,,,,
BMGC_DG19887,BMG_DG264382,,,,
BMGC_DG19888,BMG_DG264385,,,,
BMGC_DG19889,BMG_DG264388,,,,
BMGC_DG19890,BMG_DG264392,,,,
BMGC_DG19891,BMG_DG264402,,,,
BMGC_DG19892,BMG_DG264405,,,,
BMGC_DG19893,BMG_DG264407,,,,
BMGC_DG19894,BMG_DG264411,,,,
BMGC_DG19895,BMG_DG264412,,,,
BMGC_DG19896,BMG_DG264413,,,,
BMGC_DG19897,BMG_DG264414,,,,
BMGC_DG19898,BMG_DG264417,,,,
BMGC_DG19899,BMG_DG264418,,,,
BMGC_DG19900,BMG_DG264423,,,,
BMGC_DG19901,BMG_DG264428,,,,
BMGC_DG19902,BMG_DG264433,,,,
BMGC_DG19903,BMG_DG264440,,,,
BMGC_DG19904,BMG_DG264441,,,,
BMGC_DG19905,BMG_DG264444,,,,
BMGC_DG19906,BMG_DG264445,,,,
BMGC_DG19907,BMG_DG264446,,,,
BMGC_DG19908,BMG_DG264448,,,,
BMGC_DG19909,BMG_DG264451,,,,
BMGC_DG19910,BMG_DG264452,,,,
BMGC_DG19911,BMG_DG264455,,,,
BMGC_DG19912,BMG_DG264456,,,,
BMGC_DG19913,BMG_DG264457,,,,
BMGC_DG19914,BMG_DG264458,,,,
BMGC_DG19915,BMG_DG264459,,,,
BMGC_DG19916,BMG_DG264463,,,,
BMGC_DG19917,BMG_DG264464,,,,
BMGC_DG19918,BMG_DG264466,,,,
BMGC_DG19919,BMG_DG264470,,,,
BMGC_DG19920,BMG_DG264471,,,,
BMGC_DG19921,BMG_DG264473,,,,
BMGC_DG19922,BMG_DG264483,,,,
BMGC_DG19923,BMG_DG264484,,,,
BMGC_DG19924,BMG_DG264486,,,,
BMGC_DG19925,BMG_DG264493,,,,
BMGC_DG19926,BMG_DG264494,,,,
BMGC_DG19927,BMG_DG264495,,,,
BMGC_DG19928,BMG_DG264497,,,,
BMGC_DG19929,BMG_DG264498,,,,
BMGC_DG19930,BMG_DG264502,,,,
BMGC_DG19931,BMG_DG264505,,,,
BMGC_DG19932,BMG_DG264506,,,,
BMGC_DG19933,BMG_DG264508,,,,
BMGC_DG19934,BMG_DG264509,,,,
BMGC_DG19935,BMG_DG264510,,,,
BMGC_DG19936,BMG_DG264511,,,,
BMGC_DG19937,BMG_DG264514,,,,
BMGC_DG19938,BMG_DG264515,,,,
BMGC_DG19939,BMG_DG264516,,,,
BMGC_DG19940,BMG_DG264517,,,,
BMGC_DG19941,BMG_DG264519,,,,
BMGC_DG19942,BMG_DG264522,,,,
BMGC_DG19943,BMG_DG264523,,,,
BMGC_DG19944,BMG_DG264524,,,,
BMGC_DG19945,BMG_DG264531,,,,
BMGC_DG19946,BMG_DG264533,,,,
BMGC_DG19947,BMG_DG264534,,,,
BMGC_DG19948,BMG_DG264535,,,,
BMGC_DG19949,BMG_DG264537,,,,
BMGC_DG19950,BMG_DG264538,,,,
BMGC_DG19951,BMG_DG264541,,,,
BMGC_DG19952,BMG_DG264542,,,,
BMGC_DG19953,BMG_DG264543,,,,
BMGC_DG19954,BMG_DG264545,,,,
BMGC_DG19955,BMG_DG264554,,,,
BMGC_DG19956,BMG_DG264555,,,,
BMGC_DG19957,BMG_DG264556,,,,
BMGC_DG19958,BMG_DG264561,,,,
BMGC_DG19959,BMG_DG264567,,,,
BMGC_DG19960,BMG_DG264571,,,,
BMGC_DG19961,BMG_DG264574,,,,
BMGC_DG19962,BMG_DG264575,,,,
BMGC_DG19963,BMG_DG264576,,,,
BMGC_DG19964,BMG_DG264577,,,,
BMGC_DG19965,BMG_DG264580,,,,
BMGC_DG19966,BMG_DG264582,,,,
BMGC_DG19967,BMG_DG264584,,,,
BMGC_DG19968,BMG_DG264585,,,,
BMGC_DG19969,BMG_DG264587,,,,
BMGC_DG19970,BMG_DG264588,,,,
BMGC_DG19971,BMG_DG264590,,,,
BMGC_DG19972,BMG_DG264591,,,,
BMGC_DG19973,BMG_DG264593,,,,
BMGC_DG19974,BMG_DG264594,,,,
BMGC_DG19975,BMG_DG264595,,,,
BMGC_DG19976,BMG_DG264596,,,,
BMGC_DG19977,BMG_DG264597,,,,
BMGC_DG19978,BMG_DG264599,,,,
BMGC_DG19979,BMG_DG264600,,,,
BMGC_DG19980,BMG_DG264604,,,,
BMGC_DG19981,BMG_DG264605,,,,
BMGC_DG19982,BMG_DG264606,,,,
BMGC_DG19983,BMG_DG264608,,,,
BMGC_DG19984,BMG_DG264610,,,,
BMGC_DG19985,BMG_DG264615,,,,
BMGC_DG19986,BMG_DG264616,,,,
BMGC_DG19987,BMG_DG264617,,,,
BMGC_DG19988,BMG_DG264618,,,,
BMGC_DG19989,BMG_DG264619,,,,
BMGC_DG19990,BMG_DG264620,,,,
BMGC_DG19991,BMG_DG264621,,,,
BMGC_DG19992,BMG_DG264622,,,,
BMGC_DG19993,BMG_DG264623,,,,
BMGC_DG19994,BMG_DG264624,,,,
BMGC_DG19995,BMG_DG264625,,,,
BMGC_DG19996,BMG_DG264626,,,,
BMGC_DG19997,BMG_DG264628,,,,
BMGC_DG19998,BMG_DG264629,,,,
BMGC_DG19999,BMG_DG264632,,,,
BMGC_DG20000,BMG_DG264633,,,,
BMGC_DG20001,BMG_DG264634,,,,
BMGC_DG20002,BMG_DG264635,,,,
BMGC_DG20003,BMG_DG264636,,,,
BMGC_DG20004,BMG_DG264637,,,,
BMGC_DG20005,BMG_DG264638,,,,
BMGC_DG20006,BMG_DG264639,,,,
BMGC_DG20007,BMG_DG264642,,,,
BMGC_DG20008,BMG_DG264644,,,,
BMGC_DG20009,BMG_DG264645,,,,
BMGC_DG20010,BMG_DG264646,,,,
BMGC_DG20011,BMG_DG264647,,,,
BMGC_DG20012,BMG_DG264649,,,,
BMGC_DG20013,BMG_DG264650,,,,
BMGC_DG20014,BMG_DG264651,,,,
BMGC_DG20015,BMG_DG264652,,,,
BMGC_DG20016,BMG_DG264658,,,,
BMGC_DG20017,BMG_DG264663,,,,
BMGC_DG20018,BMG_DG264664,,,,
BMGC_DG20019,BMG_DG264666,,,,
BMGC_DG20020,BMG_DG264667,,,,
BMGC_DG20021,BMG_DG264669,,,,
BMGC_DG20022,BMG_DG264670,,,,
BMGC_DG20023,BMG_DG264671,,,,
BMGC_DG20024,BMG_DG264672,,,,
BMGC_DG20025,BMG_DG264674,,,,
BMGC_DG20026,BMG_DG264675,,,,
BMGC_DG20027,BMG_DG264676,,,,
BMGC_DG20028,BMG_DG264679,,,,
BMGC_DG20029,BMG_DG264680,,,,
BMGC_DG20030,BMG_DG264687,,,,
BMGC_DG20031,BMG_DG264688,,,,
BMGC_DG20032,BMG_DG264690,,,,
BMGC_DG20033,BMG_DG264691,,,,
BMGC_DG20034,BMG_DG264694,,,,
BMGC_DG20035,BMG_DG264695,,,,
BMGC_DG20036,BMG_DG264697,,,,
BMGC_DG20037,BMG_DG264701,,,,
BMGC_DG20038,BMG_DG264703,,,,
BMGC_DG20039,BMG_DG264704,,,,
BMGC_DG20040,BMG_DG264705,,,,
BMGC_DG20041,BMG_DG264707,,,,
BMGC_DG20042,BMG_DG264708,,,,
BMGC_DG20043,BMG_DG264709,,,,
BMGC_DG20044,BMG_DG264710,,,,
BMGC_DG20045,BMG_DG264712,,,,
BMGC_DG20046,BMG_DG264713,,,,
BMGC_DG20047,BMG_DG264715,,,,
BMGC_DG20048,BMG_DG264716,,,,
BMGC_DG20049,BMG_DG264717,,,,
BMGC_DG20050,BMG_DG264720,,,,
BMGC_DG20051,BMG_DG264721,,,,
BMGC_DG20052,BMG_DG264722,,,,
BMGC_DG20053,BMG_DG264723,,,,
BMGC_DG20054,BMG_DG264724,,,,
BMGC_DG20055,BMG_DG264725,,,,
BMGC_DG20056,BMG_DG264726,,,,
BMGC_DG20057,BMG_DG264728,,,,
BMGC_DG20058,BMG_DG264730,,,,
BMGC_DG20059,BMG_DG264732,,,,
BMGC_DG20060,BMG_DG264736,,,,
BMGC_DG20061,BMG_DG264737,,,,
BMGC_DG20062,BMG_DG264738,,,,
BMGC_DG20063,BMG_DG264739,,,,
BMGC_DG20064,BMG_DG264741,,,,
BMGC_DG20065,BMG_DG264748,,,,
BMGC_DG20066,BMG_DG264749,,,,
BMGC_DG20067,BMG_DG264754,,,,
BMGC_DG20068,BMG_DG264756,,,,
BMGC_DG20069,BMG_DG264758,,,,
BMGC_DG20070,BMG_DG264760,,,,
BMGC_DG20071,BMG_DG264761,,,,
BMGC_DG20072,BMG_DG264762,,,,
BMGC_DG20073,BMG_DG264763,,,,
BMGC_DG20074,BMG_DG264765,,,,
BMGC_DG20075,BMG_DG264770,,,,
BMGC_DG20076,BMG_DG264771,,,,
BMGC_DG20077,BMG_DG264772,,,,
BMGC_DG20078,BMG_DG264773,,,,
BMGC_DG20079,BMG_DG264774,,,,
BMGC_DG20080,BMG_DG264775,,,,
BMGC_DG20081,BMG_DG264778,,,,
BMGC_DG20082,BMG_DG264782,,,,
BMGC_DG20083,BMG_DG264784,,,,
BMGC_DG20084,BMG_DG264786,,,,
BMGC_DG20085,BMG_DG264790,,,,
BMGC_DG20086,BMG_DG264792,,,,
BMGC_DG20087,BMG_DG264793,,,,
BMGC_DG20088,BMG_DG264794,,,,
BMGC_DG20089,BMG_DG264795,,,,
BMGC_DG20090,BMG_DG264798,,,,
BMGC_DG20091,BMG_DG264803,,,,
BMGC_DG20092,BMG_DG264812,,,,
BMGC_DG20093,BMG_DG264816,,,,
BMGC_DG20094,BMG_DG264817,,,,
BMGC_DG20095,BMG_DG264818,,,,
BMGC_DG20096,BMG_DG264819,,,,
BMGC_DG20097,BMG_DG264820,,,,
BMGC_DG20098,BMG_DG264822,,,,
BMGC_DG20099,BMG_DG264823,,,,
BMGC_DG20100,BMG_DG264824,,,,
BMGC_DG20101,BMG_DG264827,,,,
BMGC_DG20102,BMG_DG264828,,,,
BMGC_DG20103,BMG_DG264829,,,,
BMGC_DG20104,BMG_DG264831,,,,
BMGC_DG20105,BMG_DG264833,,,,
BMGC_DG20106,BMG_DG264837,,,,
BMGC_DG20107,BMG_DG264839,,,,
BMGC_DG20108,BMG_DG264840,,,,
BMGC_DG20109,BMG_DG264841,,,,
BMGC_DG20110,BMG_DG264845,,,,
BMGC_DG20111,BMG_DG264846,,,,
BMGC_DG20112,BMG_DG264847,,,,
BMGC_DG20113,BMG_DG264849,,,,
BMGC_DG20114,BMG_DG264850,,,,
BMGC_DG20115,BMG_DG264851,,,,
BMGC_DG20116,BMG_DG264853,,,,
BMGC_DG20117,BMG_DG264857,,,,
BMGC_DG20118,BMG_DG264858,,,,
BMGC_DG20119,BMG_DG264859,,,,
BMGC_DG20120,BMG_DG264860,,,,
BMGC_DG20121,BMG_DG264862,,,,
BMGC_DG20122,BMG_DG264864,,,,
BMGC_DG20123,BMG_DG264865,,,,
BMGC_DG20124,BMG_DG264876,,,,
BMGC_DG20125,BMG_DG264884,,,,
BMGC_DG20126,BMG_DG264887,,,,
BMGC_DG20127,BMG_DG264890,,,,
BMGC_DG20128,BMG_DG264891,,,,
BMGC_DG20129,BMG_DG264892,,,,
BMGC_DG20130,BMG_DG264894,,,,
BMGC_DG20131,BMG_DG264895,,,,
BMGC_DG20132,BMG_DG264896,,,,
BMGC_DG20133,BMG_DG264897,,,,
BMGC_DG20134,BMG_DG264898,,,,
BMGC_DG20135,BMG_DG264899,,,,
BMGC_DG20136,BMG_DG264900,,,,
BMGC_DG20137,BMG_DG264911,,,,
BMGC_DG20138,BMG_DG264912,,,,
BMGC_DG20139,BMG_DG264914,,,,
BMGC_DG20140,BMG_DG264915,,,,
BMGC_DG20141,BMG_DG264917,,,,
BMGC_DG20142,BMG_DG264919,,,,
BMGC_DG20143,BMG_DG264928,,,,
BMGC_DG20144,BMG_DG264930,,,,
BMGC_DG20145,BMG_DG264931,,,,
BMGC_DG20146,BMG_DG264932,,,,
BMGC_DG20147,BMG_DG264937,,,,
BMGC_DG20148,BMG_DG264938,,,,
BMGC_DG20149,BMG_DG264939,,,,
BMGC_DG20150,BMG_DG264940,,,,
BMGC_DG20151,BMG_DG264942,,,,
BMGC_DG20152,BMG_DG264943,,,,
BMGC_DG20153,BMG_DG264944,,,,
BMGC_DG20154,BMG_DG264946,,,,
BMGC_DG20155,BMG_DG264950,,,,
BMGC_DG20156,BMG_DG264951,,,,
BMGC_DG20157,BMG_DG264952,,,,
BMGC_DG20158,BMG_DG264954,,,,
BMGC_DG20159,BMG_DG264957,,,,
BMGC_DG20160,BMG_DG264958,,,,
BMGC_DG20161,BMG_DG264970,,,,
BMGC_DG20162,BMG_DG264973,,,,
BMGC_DG20163,BMG_DG264975,,,,
BMGC_DG20164,BMG_DG264977,,,,
BMGC_DG20165,BMG_DG264978,,,,
BMGC_DG20166,BMG_DG264979,,,,
BMGC_DG20167,BMG_DG264980,,,,
BMGC_DG20168,BMG_DG264981,,,,
BMGC_DG20169,BMG_DG264982,,,,
BMGC_DG20170,BMG_DG264987,,,,
BMGC_DG20171,BMG_DG264989,,,,
BMGC_DG20172,BMG_DG264990,,,,
BMGC_DG20173,BMG_DG264994,,,,
BMGC_DG20174,BMG_DG264995,,,,
BMGC_DG20175,BMG_DG264997,,,,
BMGC_DG20176,BMG_DG264998,,,,
BMGC_DG20177,BMG_DG264999,,,,
BMGC_DG20178,BMG_DG265001,,,,
BMGC_DG20179,BMG_DG265005,,,,
BMGC_DG20180,BMG_DG265007,,,,
BMGC_DG20181,BMG_DG265012,,,,
BMGC_DG20182,BMG_DG265013,,,,
BMGC_DG20183,BMG_DG265014,,,,
BMGC_DG20184,BMG_DG265015,,,,
BMGC_DG20185,BMG_DG265017,,,,
BMGC_DG20186,BMG_DG265018,,,,
BMGC_DG20187,BMG_DG265019,,,,
BMGC_DG20188,BMG_DG265021,,,,
BMGC_DG20189,BMG_DG265023,,,,
BMGC_DG20190,BMG_DG265024,,,,
BMGC_DG20191,BMG_DG265027,,,,
BMGC_DG20192,BMG_DG265029,,,,
BMGC_DG20193,BMG_DG265034,,,,
BMGC_DG20194,BMG_DG265041,,,,
BMGC_DG20195,BMG_DG265045,,,,
BMGC_DG20196,BMG_DG265047,,,,
BMGC_DG20197,BMG_DG265051,,,,
BMGC_DG20198,BMG_DG265052,,,,
BMGC_DG20199,BMG_DG265056,,,,
BMGC_DG20200,BMG_DG265058,,,,
BMGC_DG20201,BMG_DG265059,,,,
BMGC_DG20202,BMG_DG265060,,,,
BMGC_DG20203,BMG_DG265070,,,,
BMGC_DG20204,BMG_DG265071,,,,
BMGC_DG20205,BMG_DG265072,,,,
BMGC_DG20206,BMG_DG265074,,,,
BMGC_DG20207,BMG_DG265077,,,,
BMGC_DG20208,BMG_DG265078,,,,
BMGC_DG20209,BMG_DG265079,,,,
BMGC_DG20210,BMG_DG265080,,,,
BMGC_DG20211,BMG_DG265081,,,,
BMGC_DG20212,BMG_DG265083,,,,
BMGC_DG20213,BMG_DG265086,,,,
BMGC_DG20214,BMG_DG265089,,,,
BMGC_DG20215,BMG_DG265090,,,,
BMGC_DG20216,BMG_DG265105,,,,
BMGC_DG20217,BMG_DG265106,,,,
BMGC_DG20218,BMG_DG265108,,,,
BMGC_DG20219,BMG_DG265112,,,,
BMGC_DG20220,BMG_DG265114,,,,
BMGC_DG20221,BMG_DG265116,,,,
BMGC_DG20222,BMG_DG265117,,,,
BMGC_DG20223,BMG_DG265118,,,,
BMGC_DG20224,BMG_DG265120,,,,
BMGC_DG20225,BMG_DG265122,,,,
BMGC_DG20226,BMG_DG265124,,,,
BMGC_DG20227,BMG_DG265129,,,,
BMGC_DG20228,BMG_DG265130,,,,
BMGC_DG20229,BMG_DG265131,,,,
BMGC_DG20230,BMG_DG265132,,,,
BMGC_DG20231,BMG_DG265136,,,,
BMGC_DG20232,BMG_DG265138,,,,
BMGC_DG20233,BMG_DG265139,,,,
BMGC_DG20234,BMG_DG265142,,,,
BMGC_DG20235,BMG_DG265148,,,,
BMGC_DG20236,BMG_DG265150,,,,
BMGC_DG20237,BMG_DG265151,,,,
BMGC_DG20238,BMG_DG265154,,,,
BMGC_DG20239,BMG_DG265155,,,,
BMGC_DG20240,BMG_DG265157,,,,
BMGC_DG20241,BMG_DG265164,,,,
BMGC_DG20242,BMG_DG265165,,,,
BMGC_DG20243,BMG_DG265166,,,,
BMGC_DG20244,BMG_DG265167,,,,
BMGC_DG20245,BMG_DG265168,,,,
BMGC_DG20246,BMG_DG265169,,,,
BMGC_DG20247,BMG_DG265170,,,,
BMGC_DG20248,BMG_DG265172,,,,
BMGC_DG20249,BMG_DG265173,,,,
BMGC_DG20250,BMG_DG265176,,,,
BMGC_DG20251,BMG_DG265179,,,,
BMGC_DG20252,BMG_DG265181,,,,
BMGC_DG20253,BMG_DG265182,,,,
BMGC_DG20254,BMG_DG265183,,,,
BMGC_DG20255,BMG_DG265184,,,,
BMGC_DG20256,BMG_DG265185,,,,
BMGC_DG20257,BMG_DG265187,,,,
BMGC_DG20258,BMG_DG265188,,,,
BMGC_DG20259,BMG_DG265193,,,,
BMGC_DG20260,BMG_DG265199,,,,
BMGC_DG20261,BMG_DG265200,,,,
BMGC_DG20262,BMG_DG265205,,,,
BMGC_DG20263,BMG_DG265210,,,,
BMGC_DG20264,BMG_DG265211,,,,
BMGC_DG20265,BMG_DG265212,,,,
BMGC_DG20266,BMG_DG265214,,,,
BMGC_DG20267,BMG_DG265215,,,,
BMGC_DG20268,BMG_DG265216,,,,
BMGC_DG20269,BMG_DG265217,,,,
BMGC_DG20270,BMG_DG265218,,,,
BMGC_DG20271,BMG_DG265220,,,,
BMGC_DG20272,BMG_DG265221,,,,
BMGC_DG20273,BMG_DG265250,,,,
BMGC_DG20274,BMG_DG265256,,,,
BMGC_DG20275,BMG_DG265258,,,,
BMGC_DG20276,BMG_DG265281,,,,
BMGC_DG20277,BMG_DG265283,,,,
BMGC_DG20278,BMG_DG265287,,,,
BMGC_DG20279,BMG_DG265289,,,,
BMGC_DG20280,BMG_DG265290,,,,
BMGC_DG20281,BMG_DG265291,,,,
BMGC_DG20282,BMG_DG265293,,,,
BMGC_DG20283,BMG_DG265294,,,,
BMGC_DG20284,BMG_DG265295,,,,
BMGC_DG20285,BMG_DG265296,,,,
BMGC_DG20286,BMG_DG265298,,,,
BMGC_DG20287,BMG_DG265300,,,,
BMGC_DG20288,BMG_DG265301,,,,
BMGC_DG20289,BMG_DG265304,,,,
BMGC_DG20290,BMG_DG265305,,,,
BMGC_DG20291,BMG_DG265306,,,,
BMGC_DG20292,BMG_DG265308,,,,
BMGC_DG20293,BMG_DG265311,,,,
BMGC_DG20294,BMG_DG265313,,,,
BMGC_DG20295,BMG_DG265314,,,,
BMGC_DG20296,BMG_DG265315,,,,
BMGC_DG20297,BMG_DG265318,,,,
BMGC_DG20298,BMG_DG265319,,,,
BMGC_DG20299,BMG_DG265333,,,,
BMGC_DG20300,BMG_DG265336,,,,
BMGC_DG20301,BMG_DG265342,,,,
BMGC_DG20302,BMG_DG265343,,,,
BMGC_DG20303,BMG_DG265344,,,,
BMGC_DG20304,BMG_DG265345,,,,
BMGC_DG20305,BMG_DG265346,,,,
BMGC_DG20306,BMG_DG265349,,,,
BMGC_DG20307,BMG_DG265351,,,,
BMGC_DG20308,BMG_DG265353,,,,
BMGC_DG20309,BMG_DG265354,,,,
BMGC_DG20310,BMG_DG265355,,,,
BMGC_DG20311,BMG_DG265357,,,,
BMGC_DG20312,BMG_DG265358,,,,
BMGC_DG20313,BMG_DG265359,,,,
BMGC_DG20314,BMG_DG265360,,,,
BMGC_DG20315,BMG_DG265361,,,,
BMGC_DG20316,BMG_DG265364,,,,
BMGC_DG20317,BMG_DG265365,,,,
BMGC_DG20318,BMG_DG265368,,,,
BMGC_DG20319,BMG_DG265372,,,,
BMGC_DG20320,BMG_DG265374,,,,
BMGC_DG20321,BMG_DG265375,,,,
BMGC_DG20322,BMG_DG265378,,,,
BMGC_DG20323,BMG_DG265379,,,,
BMGC_DG20324,BMG_DG265383,,,,
BMGC_DG20325,BMG_DG265387,,,,
BMGC_DG20326,BMG_DG265388,,,,
BMGC_DG20327,BMG_DG265391,,,,
BMGC_DG20328,BMG_DG265393,,,,
BMGC_DG20329,BMG_DG265403,,,,
BMGC_DG20330,BMG_DG265404,,,,
BMGC_DG20331,BMG_DG265406,,,,
BMGC_DG20332,BMG_DG265408,,,,
BMGC_DG20333,BMG_DG265412,,,,
BMGC_DG20334,BMG_DG265417,,,,
BMGC_DG20335,BMG_DG265436,,,,
BMGC_DG20336,BMG_DG265437,,,,
BMGC_DG20337,BMG_DG265467,,,,
BMGC_DG20338,BMG_DG265471,,,,
BMGC_DG20339,BMG_DG265475,,,,
BMGC_DG20340,BMG_DG265478,,,,
BMGC_DG20341,BMG_DG265479,,,,
BMGC_DG20342,BMG_DG265481,,,,
BMGC_DG20343,BMG_DG265482,,,,
BMGC_DG20344,BMG_DG265483,,,,
BMGC_DG20345,BMG_DG265484,,,,
BMGC_DG20346,BMG_DG265485,,,,
BMGC_DG20347,BMG_DG265486,,,,
BMGC_DG20348,BMG_DG265487,,,,
BMGC_DG20349,BMG_DG265488,,,,
BMGC_DG20350,BMG_DG265489,,,,
BMGC_DG20351,BMG_DG265491,,,,
BMGC_DG20352,BMG_DG265493,,,,
BMGC_DG20353,BMG_DG265500,,,,
BMGC_DG20354,BMG_DG265501,,,,
BMGC_DG20355,BMG_DG265502,,,,
BMGC_DG20356,BMG_DG265507,,,,
BMGC_DG20357,BMG_DG265525,,,,
BMGC_DG20358,BMG_DG265536,,,,
BMGC_DG20359,BMG_DG265537,,,,
BMGC_DG20360,BMG_DG265540,,,,
BMGC_DG20361,BMG_DG265569,,,,
BMGC_DG20362,BMG_DG265573,,,,
BMGC_DG20363,BMG_DG265577,,,,
BMGC_DG20364,BMG_DG265585,,,,
BMGC_DG20365,BMG_DG265586,,,,
BMGC_DG20366,BMG_DG265592,,,,
BMGC_DG20367,BMG_DG265601,,,,
BMGC_DG20368,BMG_DG265608,,,,
BMGC_DG20369,BMG_DG265609,,,,
BMGC_DG20370,BMG_DG265610,,,,
BMGC_DG20371,BMG_DG265611,,,,
BMGC_DG20372,BMG_DG265614,,,,
BMGC_DG20373,BMG_DG265622,,,,
BMGC_DG20374,BMG_DG265627,,,,
BMGC_DG20375,BMG_DG265629,,,,
BMGC_DG20376,BMG_DG265640,,,,
BMGC_DG20377,BMG_DG265642,,,,
BMGC_DG20378,BMG_DG265643,,,,
BMGC_DG20379,BMG_DG265645,,,,
BMGC_DG20380,BMG_DG265650,,,,
BMGC_DG20381,BMG_DG265651,,,,
BMGC_DG20382,BMG_DG265654,,,,
BMGC_DG20383,BMG_DG265659,,,,
BMGC_DG20384,BMG_DG265664,,,,
BMGC_DG20385,BMG_DG265669,,,,
BMGC_DG20386,BMG_DG265675,,,,
BMGC_DG20387,BMG_DG265678,,,,
BMGC_DG20388,BMG_DG265681,,,,
BMGC_DG20389,BMG_DG265682,,,,
BMGC_DG20390,BMG_DG265685,,,,
BMGC_DG20391,BMG_DG265688,,,,
BMGC_DG20392,BMG_DG265692,,,,
BMGC_DG20393,BMG_DG265695,,,,
BMGC_DG20394,BMG_DG265696,,,,
BMGC_DG20395,BMG_DG265702,,,,
BMGC_DG20396,BMG_DG265711,,,,
BMGC_DG20397,BMG_DG265712,,,,
BMGC_DG20398,BMG_DG265713,,,,
BMGC_DG20399,BMG_DG265714,,,,
BMGC_DG20400,BMG_DG265717,,,,
BMGC_DG20401,BMG_DG265718,,,,
BMGC_DG20402,BMG_DG265723,,,,
BMGC_DG20403,BMG_DG265729,,,,
BMGC_DG20404,BMG_DG265731,,,,
BMGC_DG20405,BMG_DG265738,,,,
BMGC_DG20406,BMG_DG265746,,,,
BMGC_DG20407,BMG_DG265748,,,,
BMGC_DG20408,BMG_DG265749,,,,
BMGC_DG20409,BMG_DG265750,,,,
BMGC_DG20410,BMG_DG265753,,,,
BMGC_DG20411,BMG_DG265755,,,,
BMGC_DG20412,BMG_DG265757,,,,
BMGC_DG20413,BMG_DG265758,,,,
BMGC_DG20414,BMG_DG265760,,,,
BMGC_DG20415,BMG_DG265761,,,,
BMGC_DG20416,BMG_DG265763,,,,
BMGC_DG20417,BMG_DG265765,,,,
BMGC_DG20418,BMG_DG265766,,,,
BMGC_DG20419,BMG_DG265771,,,,
BMGC_DG20420,BMG_DG265773,,,,
BMGC_DG20421,BMG_DG265774,,,,
BMGC_DG20422,BMG_DG265776,,,,
BMGC_DG20423,BMG_DG265777,,,,
BMGC_DG20424,BMG_DG265778,,,,
BMGC_DG20425,BMG_DG265781,,,,
BMGC_DG20426,BMG_DG265782,,,,
BMGC_DG20427,BMG_DG265783,,,,
BMGC_DG20428,BMG_DG265786,,,,
BMGC_DG20429,BMG_DG265787,,,,
BMGC_DG20430,BMG_DG265789,,,,
BMGC_DG20431,BMG_DG265790,,,,
BMGC_DG20432,BMG_DG265794,,,,
BMGC_DG20433,BMG_DG265799,,,,
BMGC_DG20434,BMG_DG265805,,,,
BMGC_DG20435,BMG_DG265808,,,,
BMGC_DG20436,BMG_DG265809,,,,
BMGC_DG20437,BMG_DG265811,,,,
BMGC_DG20438,BMG_DG265816,,,,
BMGC_DG20439,BMG_DG265817,,,,
BMGC_DG20440,BMG_DG265819,,,,
BMGC_DG20441,BMG_DG265822,,,,
BMGC_DG20442,BMG_DG265828,,,,
BMGC_DG20443,BMG_DG265829,,,,
BMGC_DG20444,BMG_DG265833,,,,
BMGC_DG20445,BMG_DG265835,,,,
BMGC_DG20446,BMG_DG265836,,,,
BMGC_DG20447,BMG_DG265838,,,,
BMGC_DG20448,BMG_DG265840,,,,
BMGC_DG20449,BMG_DG265843,,,,
BMGC_DG20450,BMG_DG265844,,,,
BMGC_DG20451,BMG_DG265847,,,,
BMGC_DG20452,BMG_DG265848,,,,
BMGC_DG20453,BMG_DG265855,,,,
BMGC_DG20454,BMG_DG265856,,,,
BMGC_DG20455,BMG_DG265858,,,,
BMGC_DG20456,BMG_DG265861,,,,
BMGC_DG20457,BMG_DG265863,,,,
BMGC_DG20458,BMG_DG265867,,,,
BMGC_DG20459,BMG_DG265869,,,,
BMGC_DG20460,BMG_DG265870,,,,
BMGC_DG20461,BMG_DG265872,,,,
BMGC_DG20462,BMG_DG265875,,,,
BMGC_DG20463,BMG_DG265877,,,,
BMGC_DG20464,BMG_DG265878,,,,
BMGC_DG20465,BMG_DG265880,,,,
BMGC_DG20466,BMG_DG265881,,,,
BMGC_DG20467,BMG_DG265893,,,,
BMGC_DG20468,BMG_DG265896,,,,
BMGC_DG20469,BMG_DG265900,,,,
BMGC_DG20470,BMG_DG265901,,,,
BMGC_DG20471,BMG_DG265902,,,,
BMGC_DG20472,BMG_DG265903,,,,
BMGC_DG20473,BMG_DG265905,,,,
BMGC_DG20474,BMG_DG265910,,,,
BMGC_DG20475,BMG_DG265915,,,,
BMGC_DG20476,BMG_DG265920,,,,
BMGC_DG20477,BMG_DG265923,,,,
BMGC_DG20478,BMG_DG265924,,,,
BMGC_DG20479,BMG_DG265926,,,,
BMGC_DG20480,BMG_DG265927,,,,
BMGC_DG20481,BMG_DG265928,,,,
BMGC_DG20482,BMG_DG265930,,,,
BMGC_DG20483,BMG_DG265931,,,,
BMGC_DG20484,BMG_DG265932,,,,
BMGC_DG20485,BMG_DG265935,,,,
BMGC_DG20486,BMG_DG265936,,,,
BMGC_DG20487,BMG_DG265937,,,,
BMGC_DG20488,BMG_DG265942,,,,
BMGC_DG20489,BMG_DG265943,,,,
BMGC_DG20490,BMG_DG265946,,,,
BMGC_DG20491,BMG_DG265949,,,,
BMGC_DG20492,BMG_DG265950,,,,
BMGC_DG20493,BMG_DG265954,,,,
BMGC_DG20494,BMG_DG265960,,,,
BMGC_DG20495,BMG_DG265962,,,,
BMGC_DG20496,BMG_DG265964,,,,
BMGC_DG20497,BMG_DG265965,,,,
BMGC_DG20498,BMG_DG265968,,,,
BMGC_DG20499,BMG_DG265971,,,,
BMGC_DG20500,BMG_DG265975,,,,
BMGC_DG20501,BMG_DG265976,,,,
BMGC_DG20502,BMG_DG265977,,,,
BMGC_DG20503,BMG_DG265982,,,,
BMGC_DG20504,BMG_DG265984,,,,
BMGC_DG20505,BMG_DG265985,,,,
BMGC_DG20506,BMG_DG265987,,,,
BMGC_DG20507,BMG_DG265989,,,,
BMGC_DG20508,BMG_DG265992,,,,
BMGC_DG20509,BMG_DG265998,,,,
BMGC_DG20510,BMG_DG266004,,,,
BMGC_DG20511,BMG_DG266006,,,,
BMGC_DG20512,BMG_DG266009,,,,
BMGC_DG20513,BMG_DG266010,,,,
BMGC_DG20514,BMG_DG266015,,,,
BMGC_DG20515,BMG_DG266018,,,,
BMGC_DG20516,BMG_DG266019,,,,
BMGC_DG20517,BMG_DG266020,,,,
BMGC_DG20518,BMG_DG266025,,,,
BMGC_DG20519,BMG_DG266028,,,,
BMGC_DG20520,BMG_DG266029,,,,
BMGC_DG20521,BMG_DG266031,,,,
BMGC_DG20522,BMG_DG266034,,,,
BMGC_DG20523,BMG_DG266035,,,,
BMGC_DG20524,BMG_DG266040,,,,
BMGC_DG20525,BMG_DG266041,,,,
BMGC_DG20526,BMG_DG266042,,,,
BMGC_DG20527,BMG_DG266045,,,,
BMGC_DG20528,BMG_DG266051,,,,
BMGC_DG20529,BMG_DG266053,,,,
BMGC_DG20530,BMG_DG266056,,,,
BMGC_DG20531,BMG_DG266059,,,,
BMGC_DG20532,BMG_DG266061,,,,
BMGC_DG20533,BMG_DG266063,,,,
BMGC_DG20534,BMG_DG266065,,,,
BMGC_DG20535,BMG_DG266080,,,,
BMGC_DG20536,BMG_DG266081,,,,
BMGC_DG20537,BMG_DG266086,,,,
BMGC_DG20538,BMG_DG266089,,,,
BMGC_DG20539,BMG_DG266094,,,,
BMGC_DG20540,BMG_DG266097,,,,
BMGC_DG20541,BMG_DG266099,,,,
BMGC_DG20542,BMG_DG266102,,,,
BMGC_DG20543,BMG_DG266103,,,,
BMGC_DG20544,BMG_DG266113,,,,
BMGC_DG20545,BMG_DG266114,,,,
BMGC_DG20546,BMG_DG266116,,,,
BMGC_DG20547,BMG_DG266120,,,,
BMGC_DG20548,BMG_DG266125,,,,
BMGC_DG20549,BMG_DG266126,,,,
BMGC_DG20550,BMG_DG266127,,,,
BMGC_DG20551,BMG_DG266130,,,,
BMGC_DG20552,BMG_DG266155,,,,
BMGC_DG20553,BMG_DG266156,,,,
BMGC_DG20554,BMG_DG266162,,,,
BMGC_DG20555,BMG_DG266163,,,,
BMGC_DG20556,BMG_DG266164,,,,
BMGC_DG20557,BMG_DG266179,,,,
BMGC_DG20558,BMG_DG266180,,,,
BMGC_DG20559,BMG_DG266184,,,,
BMGC_DG20560,BMG_DG266189,,,,
BMGC_DG20561,BMG_DG266194,,,,
BMGC_DG20562,BMG_DG266197,,,,
BMGC_DG20563,BMG_DG266204,,,,
BMGC_DG20564,BMG_DG266211,,,,
BMGC_DG20565,BMG_DG266214,,,,
BMGC_DG20566,BMG_DG266215,,,,
BMGC_DG20567,BMG_DG266231,,,,
BMGC_DG20568,BMG_DG266235,,,,
BMGC_DG20569,BMG_DG266246,,,,
BMGC_DG20570,BMG_DG266253,,,,
BMGC_DG20571,BMG_DG266254,,,,
BMGC_DG20572,BMG_DG266260,,,,
BMGC_DG20573,BMG_DG266266,,,,
BMGC_DG20574,BMG_DG266279,,,,
BMGC_DG20575,BMG_DG266281,,,,
BMGC_DG20576,BMG_DG266301,,,,
BMGC_DG20577,BMG_DG266306,,,,
BMGC_DG20578,BMG_DG266310,,,,
BMGC_DG20579,BMG_DG266322,,,,
BMGC_DG20580,BMG_DG266324,,,,
BMGC_DG20581,BMG_DG266326,,,,
BMGC_DG20582,BMG_DG266327,,,,
BMGC_DG20583,BMG_DG266328,,,,
BMGC_DG20584,BMG_DG266329,,,,
BMGC_DG20585,BMG_DG266336,,,,
BMGC_DG20586,BMG_DG266339,,,,
BMGC_DG20587,BMG_DG266346,,,,
BMGC_DG20588,BMG_DG266347,,,,
BMGC_DG20589,BMG_DG266349,,,,
BMGC_DG20590,BMG_DG266351,,,,
BMGC_DG20591,BMG_DG266354,,,,
BMGC_DG20592,BMG_DG266355,,,,
BMGC_DG20593,BMG_DG266356,,,,
BMGC_DG20594,BMG_DG266358,,,,
BMGC_DG20595,BMG_DG266361,,,,
BMGC_DG20596,BMG_DG266364,,,,
BMGC_DG20597,BMG_DG266367,,,,
BMGC_DG20598,BMG_DG266371,,,,
BMGC_DG20599,BMG_DG266377,,,,
BMGC_DG20600,BMG_DG266382,,,,
BMGC_DG20601,BMG_DG266383,,,,
BMGC_DG20602,BMG_DG266389,,,,
BMGC_DG20603,BMG_DG266390,,,,
BMGC_DG20604,BMG_DG266392,,,,
BMGC_DG20605,BMG_DG266393,,,,
BMGC_DG20606,BMG_DG266394,,,,
BMGC_DG20607,BMG_DG266395,,,,
BMGC_DG20608,BMG_DG266396,,,,
BMGC_DG20609,BMG_DG266397,,,,
BMGC_DG20610,BMG_DG266398,,,,
BMGC_DG20611,BMG_DG266400,,,,
BMGC_DG20612,BMG_DG266401,,,,
BMGC_DG20613,BMG_DG266402,,,,
BMGC_DG20614,BMG_DG266405,,,,
BMGC_DG20615,BMG_DG266406,,,,
BMGC_DG20616,BMG_DG266407,,,,
BMGC_DG20617,BMG_DG266430,,,,
BMGC_DG20618,BMG_DG266431,,,,
BMGC_DG20619,BMG_DG266434,,,,
BMGC_DG20620,BMG_DG266435,,,,
BMGC_DG20621,BMG_DG266436,,,,
BMGC_DG20622,BMG_DG266437,,,,
BMGC_DG20623,BMG_DG266438,,,,
BMGC_DG20624,BMG_DG266439,,,,
BMGC_DG20625,BMG_DG266440,,,,
BMGC_DG20626,BMG_DG266442,,,,
BMGC_DG20627,BMG_DG266444,,,,
BMGC_DG20628,BMG_DG266451,,,,
BMGC_DG20629,BMG_DG266452,,,,
BMGC_DG20630,BMG_DG266453,,,,
BMGC_DG20631,BMG_DG266464,,,,
BMGC_DG20632,BMG_DG266465,,,,
BMGC_DG20633,BMG_DG266467,,,,
BMGC_DG20634,BMG_DG266468,,,,
BMGC_DG20635,BMG_DG266474,,,,
BMGC_DG20636,BMG_DG266476,,,,
BMGC_DG20637,BMG_DG266487,,,,
BMGC_DG20638,BMG_DG266516,,,,
BMGC_DG20639,BMG_DG266518,,,,
BMGC_DG20640,BMG_DG266519,,,,
BMGC_DG20641,BMG_DG266520,,,,
BMGC_DG20642,BMG_DG266521,,,,
BMGC_DG20643,BMG_DG266522,,,,
BMGC_DG20644,BMG_DG266524,,,,
BMGC_DG20645,BMG_DG266528,,,,
BMGC_DG20646,BMG_DG266529,,,,
BMGC_DG20647,BMG_DG266530,,,,
BMGC_DG20648,BMG_DG266532,,,,
BMGC_DG20649,BMG_DG266533,,,,
BMGC_DG20650,BMG_DG266534,,,,
BMGC_DG20651,BMG_DG266540,,,,
BMGC_DG20652,BMG_DG266541,,,,
BMGC_DG20653,BMG_DG266543,,,,
BMGC_DG20654,BMG_DG266545,,,,
BMGC_DG20655,BMG_DG266550,,,,
BMGC_DG20656,BMG_DG266551,,,,
BMGC_DG20657,BMG_DG266553,,,,
BMGC_DG20658,BMG_DG266555,,,,
BMGC_DG20659,BMG_DG266558,,,,
BMGC_DG20660,BMG_DG266559,,,,
BMGC_DG20661,BMG_DG266561,,,,
BMGC_DG20662,BMG_DG266565,,,,
BMGC_DG20663,BMG_DG266570,,,,
BMGC_DG20664,BMG_DG266571,,,,
BMGC_DG20665,BMG_DG266573,,,,
BMGC_DG20666,BMG_DG266575,,,,
BMGC_DG20667,BMG_DG266580,,,,
BMGC_DG20668,BMG_DG266586,,,,
BMGC_DG20669,BMG_DG266587,,,,
BMGC_DG20670,BMG_DG266589,,,,
BMGC_DG20671,BMG_DG266591,,,,
BMGC_DG20672,BMG_DG266596,,,,
BMGC_DG20673,BMG_DG266597,,,,
BMGC_DG20674,BMG_DG266605,,,,
BMGC_DG20675,BMG_DG266607,,,,
BMGC_DG20676,BMG_DG266623,,,,
BMGC_DG20677,BMG_DG266625,,,,
BMGC_DG20678,BMG_DG266632,,,,
BMGC_DG20679,BMG_DG266634,,,,
BMGC_DG20680,BMG_DG266639,,,,
BMGC_DG20681,BMG_DG266651,,,,
BMGC_DG20682,BMG_DG266652,,,,
BMGC_DG20683,BMG_DG266663,,,,
BMGC_DG20684,BMG_DG266664,,,,
BMGC_DG20685,BMG_DG266683,,,,
BMGC_DG20686,BMG_DG266691,,,,
BMGC_DG20687,BMG_DG266714,,,,
BMGC_DG20688,BMG_DG266717,,,,
BMGC_DG20689,BMG_DG266718,,,,
BMGC_DG20690,BMG_DG266719,,,,
BMGC_DG20691,BMG_DG266720,,,,
BMGC_DG20692,BMG_DG266722,,,,
BMGC_DG20693,BMG_DG266725,,,,
BMGC_DG20694,BMG_DG266728,,,,
BMGC_DG20695,BMG_DG266729,,,,
BMGC_DG20696,BMG_DG266730,,,,
BMGC_DG20697,BMG_DG266735,,,,
BMGC_DG20698,BMG_DG266736,,,,
BMGC_DG20699,BMG_DG266737,,,,
BMGC_DG20700,BMG_DG266738,,,,
BMGC_DG20701,BMG_DG266739,,,,
BMGC_DG20702,BMG_DG266741,,,,
BMGC_DG20703,BMG_DG266742,,,,
BMGC_DG20704,BMG_DG266743,,,,
BMGC_DG20705,BMG_DG266744,,,,
BMGC_DG20706,BMG_DG266747,,,,
BMGC_DG20707,BMG_DG266748,,,,
BMGC_DG20708,BMG_DG266749,,,,
BMGC_DG20709,BMG_DG266751,,,,
BMGC_DG20710,BMG_DG266752,,,,
BMGC_DG20711,BMG_DG266755,,,,
BMGC_DG20712,BMG_DG266756,,,,
BMGC_DG20713,BMG_DG266757,,,,
BMGC_DG20714,BMG_DG266759,,,,
BMGC_DG20715,BMG_DG266760,,,,
BMGC_DG20716,BMG_DG266770,,,,
BMGC_DG20717,BMG_DG266776,,,,
BMGC_DG20718,BMG_DG266779,,,,
BMGC_DG20719,BMG_DG266783,,,,
BMGC_DG20720,BMG_DG266784,,,,
BMGC_DG20721,BMG_DG266793,,,,
BMGC_DG20722,BMG_DG266797,,,,
BMGC_DG20723,BMG_DG266803,,,,
BMGC_DG20724,BMG_DG266808,,,,
BMGC_DG20725,BMG_DG266813,,,,
BMGC_DG20726,BMG_DG266825,,,,
BMGC_DG20727,BMG_DG266827,,,,
BMGC_DG20728,BMG_DG266836,,,,
BMGC_DG20729,BMG_DG266839,,,,
BMGC_DG20730,BMG_DG266845,,,,
BMGC_DG20731,BMG_DG266848,,,,
BMGC_DG20732,BMG_DG266855,,,,
BMGC_DG20733,BMG_DG266862,,,,
BMGC_DG20734,BMG_DG266876,,,,
BMGC_DG20735,BMG_DG266887,,,,
BMGC_DG20736,BMG_DG266893,,,,
BMGC_DG20737,BMG_DG266943,,,,
BMGC_DG20738,BMG_DG266952,,,,
BMGC_DG20739,BMG_DG266973,,,,
BMGC_DG20740,BMG_DG266979,,,,
BMGC_DG20741,BMG_DG266985,,,,
BMGC_DG20742,BMG_DG266994,,,,
BMGC_DG20743,BMG_DG266995,,,,
BMGC_DG20744,BMG_DG267005,,,,
BMGC_DG20745,BMG_DG267079,,,,
BMGC_DG20746,BMG_DG267081,,,,
BMGC_DG20747,BMG_DG267145,,,,
BMGC_DG20748,BMG_DG267168,,,,
BMGC_DG20749,BMG_DG267186,,,,
BMGC_DG20750,BMG_DG267189,,,,
BMGC_DG20751,BMG_DG267202,,,,
BMGC_DG20752,BMG_DG267203,,,,
BMGC_DG20753,BMG_DG267216,,,,
BMGC_DG20754,BMG_DG267221,,,,
BMGC_DG20755,BMG_DG267234,,,,
BMGC_DG20756,BMG_DG267245,,,,
BMGC_DG20757,BMG_DG267263,,,,
BMGC_DG20758,BMG_DG267273,,,,
BMGC_DG20759,BMG_DG267282,,,,
BMGC_DG20760,BMG_DG267284,,,,
BMGC_DG20761,BMG_DG267297,,,,
BMGC_DG20762,BMG_DG267330,,,,
BMGC_DG20763,BMG_DG267365,,,,
BMGC_DG20764,BMG_DG267401,,,,
BMGC_DG20765,BMG_DG267420,,,,
BMGC_DG20766,BMG_DG267430,,,,
BMGC_DG20767,BMG_DG267438,,,,
BMGC_DG20768,BMG_DG267444,,,,
BMGC_DG20769,BMG_DG267453,,,,
BMGC_DG20770,BMG_DG267457,,,,
BMGC_DG20771,BMG_DG267527,,,,
BMGC_DG20772,BMG_DG267532,,,,
BMGC_DG20773,BMG_DG267546,,,,
BMGC_DG20774,BMG_DG267551,,,,
BMGC_DG20775,BMG_DG267568,,,,
BMGC_DG20776,BMG_DG267577,,,,
BMGC_DG20777,BMG_DG267587,,,,
BMGC_DG20778,BMG_DG267614,,,,
BMGC_DG20779,BMG_DG267624,,,,
BMGC_DG20780,BMG_DG267671,,,,
BMGC_DG20781,BMG_DG267678,,,,
BMGC_DG20782,BMG_DG267693,,,,
BMGC_DG20783,BMG_DG267694,,,,
BMGC_DG20784,BMG_DG267696,,,,
BMGC_DG20785,BMG_DG267701,,,,
BMGC_DG20786,BMG_DG267705,,,,
BMGC_DG20787,BMG_DG267706,,,,
BMGC_DG20788,BMG_DG267713,,,,
BMGC_DG20789,BMG_DG267732,,,,
BMGC_DG20790,BMG_DG267735,,,,
BMGC_DG20791,BMG_DG267740,,,,
BMGC_DG20792,BMG_DG267748,,,,
BMGC_DG20793,BMG_DG267774,,,,
BMGC_DG20794,BMG_DG267785,,,,
BMGC_DG20795,BMG_DG267790,,,,
BMGC_DG20796,BMG_DG267798,,,,
BMGC_DG20797,BMG_DG267801,,,,
BMGC_DG20798,BMG_DG267816,,,,
BMGC_DG20799,BMG_DG267818,,,,
BMGC_DG20800,BMG_DG267819,,,,
BMGC_DG20801,BMG_DG267839,,,,
BMGC_DG20802,BMG_DG267897,,,,
BMGC_DG20803,BMG_DG267907,,,,
BMGC_DG20804,BMG_DG267908,,,,
BMGC_DG20805,BMG_DG267930,,,,
BMGC_DG20806,BMG_DG267946,,,,
BMGC_DG20807,BMG_DG267961,,,,
BMGC_DG20808,BMG_DG267962,,,,
BMGC_DG20809,BMG_DG267990,,,,
BMGC_DG20810,BMG_DG267992,,,,
BMGC_DG20811,BMG_DG268001,,,,
BMGC_DG20812,BMG_DG268007,,,,
BMGC_DG20813,BMG_DG268009,,,,
BMGC_DG20814,BMG_DG268062,,,,
BMGC_DG20815,BMG_DG268087,,,,
BMGC_DG20816,BMG_DG268099,,,,
BMGC_DG20817,BMG_DG268158,,,,
BMGC_DG20818,BMG_DG268173,,,,
BMGC_DG20819,BMG_DG268182,,,,
BMGC_DG20820,BMG_DG268184,,,,
BMGC_DG20821,BMG_DG268209,,,,
BMGC_DG20822,BMG_DG268212,,,,
BMGC_DG20823,BMG_DG268326,,,,
BMGC_DG20824,BMG_DG268328,,,,
BMGC_DG20825,BMG_DG268355,,,,
BMGC_DG20826,BMG_DG268359,,,,
BMGC_DG20827,BMG_DG268370,,,,
BMGC_DG20828,BMG_DG268395,,,,
BMGC_DG20829,BMG_DG268398,,,,
BMGC_DG20830,BMG_DG268399,,,,
BMGC_DG20831,BMG_DG268401,,,,
BMGC_DG20832,BMG_DG268409,,,,
BMGC_DG20833,BMG_DG268410,,,,
BMGC_DG20834,BMG_DG268412,,,,
BMGC_DG20835,BMG_DG268413,,,,
BMGC_DG20836,BMG_DG268414,,,,
BMGC_DG20837,BMG_DG268419,,,,
BMGC_DG20838,BMG_DG268430,,,,
BMGC_DG20839,BMG_DG268434,,,,
BMGC_DG20840,BMG_DG268445,,,,
BMGC_DG20841,BMG_DG268452,,,,
BMGC_DG20842,BMG_DG268454,,,,
BMGC_DG20843,BMG_DG268460,,,,
BMGC_DG20844,BMG_DG268466,,,,
BMGC_DG20845,BMG_DG268475,,,,
BMGC_DG20846,BMG_DG268478,,,,
BMGC_DG20847,BMG_DG268479,,,,
BMGC_DG20848,BMG_DG268481,,,,
BMGC_DG20849,BMG_DG268486,,,,
BMGC_DG20850,BMG_DG268487,,,,
BMGC_DG20851,BMG_DG268488,,,,
BMGC_DG20852,BMG_DG268497,,,,
BMGC_DG20853,BMG_DG268499,,,,
BMGC_DG20854,BMG_DG268502,,,,
BMGC_DG20855,BMG_DG268503,,,,
BMGC_DG20856,BMG_DG268504,,,,
BMGC_DG20857,BMG_DG268510,,,,
BMGC_DG20858,BMG_DG268516,,,,
BMGC_DG20859,BMG_DG268533,,,,
BMGC_DG20860,BMG_DG268540,,,,
BMGC_DG20861,BMG_DG268558,,,,
BMGC_DG20862,BMG_DG268559,,,,
BMGC_DG20863,BMG_DG268643,,,,
BMGC_DG20864,BMG_DG268647,,,,
BMGC_DG20865,BMG_DG268656,,,,
BMGC_DG20866,BMG_DG268657,,,,
BMGC_DG20867,BMG_DG268661,,,,
BMGC_DG20868,BMG_DG268703,,,,
BMGC_DG20869,BMG_DG268716,,,,
BMGC_DG20870,BMG_DG268721,,,,
BMGC_DG20871,BMG_DG268726,,,,
BMGC_DG20872,BMG_DG268734,,,,
BMGC_DG20873,BMG_DG268736,,,,
BMGC_DG20874,BMG_DG268747,,,,
BMGC_DG20875,BMG_DG268751,,,,
BMGC_DG20876,BMG_DG268776,,,,
BMGC_DG20877,BMG_DG268778,,,,
BMGC_DG20878,BMG_DG268781,,,,
BMGC_DG20879,BMG_DG268783,,,,
BMGC_DG20880,BMG_DG268787,,,,
BMGC_DG20881,BMG_DG268816,,,,
BMGC_DG20882,BMG_DG268818,,,,
BMGC_DG20883,BMG_DG268822,,,,
BMGC_DG20884,BMG_DG268823,,,,
BMGC_DG20885,BMG_DG268853,,,,
BMGC_DG20886,BMG_DG268861,,,,
BMGC_DG20887,BMG_DG268862,,,,
BMGC_DG20888,BMG_DG268863,,,,
BMGC_DG20889,BMG_DG268870,,,,
BMGC_DG20890,BMG_DG268884,,,,
BMGC_DG20891,BMG_DG268886,,,,
BMGC_DG20892,BMG_DG268891,,,,
BMGC_DG20893,BMG_DG268892,,,,
BMGC_DG20894,BMG_DG268894,,,,
BMGC_DG20895,BMG_DG268895,,,,
BMGC_DG20896,BMG_DG268898,,,,
BMGC_DG20897,BMG_DG268899,,,,
BMGC_DG20898,BMG_DG268902,,,,
BMGC_DG20899,BMG_DG268903,,,,
BMGC_DG20900,BMG_DG268911,,,,
BMGC_DG20901,BMG_DG268936,,,,
BMGC_DG20902,BMG_DG268948,,,,
BMGC_DG20903,BMG_DG268950,,,,
BMGC_DG20904,BMG_DG268970,,,,
BMGC_DG20905,BMG_DG268974,,,,
BMGC_DG20906,BMG_DG268976,,,,
BMGC_DG20907,BMG_DG268999,,,,
BMGC_DG20908,BMG_DG269004,,,,
BMGC_DG20909,BMG_DG269005,,,,
BMGC_DG20910,BMG_DG269007,,,,
BMGC_DG20911,BMG_DG269018,,,,
BMGC_DG20912,BMG_DG269022,,,,
BMGC_DG20913,BMG_DG269046,,,,
BMGC_DG20914,BMG_DG269064,,,,
BMGC_DG20915,BMG_DG269070,,,,
BMGC_DG20916,BMG_DG269073,,,,
BMGC_DG20917,BMG_DG269082,,,,
BMGC_DG20918,BMG_DG269087,,,,