diff --git "a/data/Absorbance.csv" "b/data/Absorbance.csv"
new file mode 100644--- /dev/null
+++ "b/data/Absorbance.csv"
@@ -0,0 +1,1487 @@
+Type,DatasetName,AID,ID,IDType,SMILES
+Absorbance,,720541,403,CID,Nc1ccc(O)cc1
+Absorbance,,720541,2794,CID,CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
+Absorbance,,720541,3468,CID,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1
+Absorbance,,720541,4485,CID,COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]
+Absorbance,,720541,5291,CID,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
+Absorbance,,720541,6053,CID,CN(C)c1ccc(N=Nc2ccccc2)cc1
+Absorbance,,720541,6706,CID,CNc1cccc2c1C(=O)c1ccccc1C2=O
+Absorbance,,720541,7589,CID,CCC(C)Nc1ccc(NC(C)CC)cc1
+Absorbance,,720541,9305,CID,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
+Absorbance,,720541,14749,CID,Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(O)c1C2=O
+Absorbance,,720541,16414,CID,CN(C)CCCN1c2ccc(O)cc2Sc2ccc(Cl)cc21
+Absorbance,,720541,16888,CID,CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccc(O)cc2S(=O)(=O)O)cc1
+Absorbance,,720541,21796,CID,COc1ccccc1N1CCN(CCc2c[nH]c3cc4c(cc23)OCO4)CC1.O=C(O)C(O)C(O)C(=O)O
+Absorbance,,720541,26248,CID,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O
+Absorbance,,720541,61336,CID,CC1(C)Nc2cccc3c(N=Nc4ccc(N=Nc5ccccc5)c5ccccc45)ccc(c23)N1
+Absorbance,,720541,63204,CID,O=c1nc(-c2ccccc2)c2cc(Cl)ccc2[nH]1
+Absorbance,,720541,67954,CID,CN(C)c1ccc(C=C2C=Cc3ccccc32)cc1
+Absorbance,,720541,68939,CID,[O-][S+](c1cc(Cl)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1O
+Absorbance,,720541,81124,CID,O=C1C=C(Nc2ccccc2)C(=O)c2ccccc21
+Absorbance,,720541,83650,CID,O=C1c2cccc(Sc3ccccc3)c2C(=O)c2c(Sc3ccccc3)cccc21
+Absorbance,,720541,86911,CID,CN(C)c1ccc(N=Nc2ccnc3ccccc23)cc1
+Absorbance,,720541,95307,CID,O=C(O)c1ccccc1NC(c1ccccc1)c1ccc2cccnc2c1O
+Absorbance,,720541,115824,CID,Oc1ccccc1C=NC1CCCCC1N=Cc1ccccc1O
+Absorbance,,720541,124496,CID,CN(C)CCNc1ccc2nnn3c4ccc(O)cc4c(=O)c1c23
+Absorbance,,720541,159917,CID,COc1cc(C=NO)nc(-c2ccccn2)c1
+Absorbance,,720541,224068,CID,CN(C)c1ccc(C=C2c3ccccc3-c3ccccc32)cc1
+Absorbance,,720541,246666,CID,Nc1ccc2c(c1Cl)C(=O)c1ccc(N)c(Cl)c1C2=O
+Absorbance,,720541,256073,CID,O=C(Cc1ccccc1)c1ccccn1
+Absorbance,,720541,260550,CID,CNc1ccc(C=C2c3ccccc3-c3ccccc32)cc1
+Absorbance,,720541,267862,CID,CN(C)c1ccc2c(c1)C(=NO)c1ccccc1-2
+Absorbance,,720541,273436,CID,CC(=O)Oc1cccc2c1C(=O)C1CC=CC(OC(C)=O)C1C2=O
+Absorbance,,720541,274127,CID,O=C(O)CCc1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12
+Absorbance,,720541,274337,CID,OCCN(Cc1cccnc1)Cc1ccccn1
+Absorbance,,720541,277054,CID,COc1cc2c(cc1N)-c1ccc(N)cc1C2=O
+Absorbance,,720541,278037,CID,O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)[nH]c(=O)c1ccccc12
+Absorbance,,720541,278718,CID,O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2oc(=O)c3ccccc3c2c1
+Absorbance,,720541,279589,CID,COc1cc(N(C(C)=O)c2ccc(O)c(C(=O)O)c2)c2ncccc2c1
+Absorbance,,720541,283447,CID,CC1=CC(=O)Nc2ncccc2O1
+Absorbance,,720541,291365,CID,O=C1c2ccccc2C(=O)c2c(Nc3ccc(CCO)cc3)ccc(O)c21
+Absorbance,,720541,296003,CID,O=c1oc(-c2ccco2)nc2ccccc12
+Absorbance,,720541,320334,CID,COc1ccc(-c2c(N)cnc(C(=O)O)c2C)c(OCc2ccccc2)c1OC
+Absorbance,,720541,328145,CID,CN(C)c1ccc(Sc2ccc3nc(N)nc(N)c3c2)cc1
+Absorbance,,720541,330973,CID,C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(=O)CC(=O)O[C@H]3[C@@H]4C(=C)C(=O)O[C@@H]4C[C@@H](C)[C@@H]4C=CC(=O)[C@]43C)[C@H]12
+Absorbance,,720541,371509,CID,CN(C)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23
+Absorbance,,720541,378196,CID,O=C1C=CC(=O)c2c(O)c(N3CCN(CCOCCO)CC3)c(Br)c(O)c21
+Absorbance,,720541,396090,CID,O=c1c2ccccc2oc2nc3n(c(=O)c12)CCCS3
+Absorbance,,720541,565801,CID,NNC(=O)c1nc[nH]c1C(=O)Nc1ccccn1
+Absorbance,,720541,584972,CID,CCOC(=O)c1ncccc1NC(=O)CC(=O)Nc1cccnc1C(=O)OCC
+Absorbance,,720541,631429,CID,CN(C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O)c1ccccc1
+Absorbance,,720541,636397,CID,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@H]2CCCCO2)[C@H](C)O1
+Absorbance,,720541,654122,CID,COc1ccc(OC)c(Nc2nc(-c3sc(N)nc3C)cs2)c1
+Absorbance,,720541,655444,CID,COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCn1nnc2ccccc21
+Absorbance,,720541,662304,CID,COc1ccc(CCn2c(=N)c(C(=O)NCc3ccco3)cc3c(=O)n4ccccc4nc32)cc1OC
+Absorbance,,720541,665043,CID,CSc1nc(NCCOCCO)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4
+Absorbance,,720541,688489,CID,N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc2ccccc2c1
+Absorbance,,720541,691744,CID,COc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1OC
+Absorbance,,720541,697303,CID,Cc1nc2ncccn2c1-c1csc(Nc2ccccc2)n1
+Absorbance,,720541,700996,CID,N#Cc1c(N)n(-c2cccc(C(=O)O)c2)c2nc3ccccc3nc12
+Absorbance,,720541,701172,CID,Oc1c(Cl)cc(CN2CCOCC2)c2cccnc12
+Absorbance,,720541,701842,CID,O=C(/C=C/c1ccccc1)Oc1cccc2cccnc12
+Absorbance,,720541,705209,CID,N#Cc1c(N)n(-c2ccc(C(=O)O)cc2)c2nc3ccccc3nc12
+Absorbance,,720541,706057,CID,Cc1sc2nc3ccc(N4CCCCC4)nn3c(=O)c2c1C
+Absorbance,,720541,709605,CID,CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ncn[nH]4)cc3)nc2c1
+Absorbance,,720541,711946,CID,CCc1ccc2nc3nc(C)cc(C)c3c(N)c2c1
+Absorbance,,720541,721647,CID,CCOC(=O)c1cnc2c(C#N)cnn2c1N
+Absorbance,,720541,741311,CID,O=c1c(CO)cc(CO)cc(CO)c1O
+Absorbance,,720541,751394,CID,Cc1cccc(C)c1Nc1c(-c2ccccn2)nc2ccccn12
+Absorbance,,720541,767585,CID,O=c1nc2c(O)cccn2c2c1c(=O)[nH]c1ccccc12
+Absorbance,,720541,774142,CID,O=C(O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
+Absorbance,,720541,776361,CID,CCNc1ccc2noc3c2c1C(=O)c1ccccc1-3
+Absorbance,,720541,778948,CID,O=C(/C=C/c1ccco1)Oc1cccc2cccnc12
+Absorbance,,720541,784642,CID,O=C(Nc1ccc(F)cc1)c1nc[nH]c1C(=O)O
+Absorbance,,720541,788569,CID,CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1
+Absorbance,,720541,795616,CID,CC(=O)c1ccc(OC(=O)/C=C/c2ccccc2)cc1
+Absorbance,,720541,817320,CID,Cc1cccc(NC(=S)NC(=O)c2ccco2)n1
+Absorbance,,720541,817337,CID,CCN(CC)c1ccc(NC(=S)NC(=O)c2cccs2)cc1
+Absorbance,,720541,823571,CID,Cc1ccc(NC(=O)c2[nH]cnc2C(=O)NN)cc1
+Absorbance,,720541,824040,CID,O=C(Nc1cccc(O)c1)c1cccc(C(=O)Nc2cccc(O)c2)c1
+Absorbance,,720541,828102,CID,COC(=O)c1cc2c(ccc3ccccc32)oc1=O
+Absorbance,,720541,829849,CID,COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1C(=O)O
+Absorbance,,720541,838386,CID,CN(C)c1ccc(N=c2sc3ccccc3n2C)cc1
+Absorbance,,720541,841628,CID,NC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCCC2
+Absorbance,,720541,844733,CID,Cn1nc([N+](=O)[O-])nc1Sc1cccc2cccnc12
+Absorbance,,720541,848481,CID,Cc1cn2c(nc(=O)c3cccnc32)s1
+Absorbance,,720541,852940,CID,CCc1cc2c(=O)[nH]c(-c3ccccn3)nc2s1
+Absorbance,,720541,866317,CID,O=C(NC1CC1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
+Absorbance,,720541,877413,CID,Cc1ccc(NC(=O)CSc2cccc3cccnc23)c(C)c1
+Absorbance,,720541,878844,CID,Nc1[nH]nc2ncc3cc4ccccc4nc3c12
+Absorbance,,720541,888046,CID,Cc1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cc2)o1
+Absorbance,,720541,899295,CID,CCc1nnc2c(N(C)C)nc3ccccc3n12
+Absorbance,,720541,938368,CID,COC1=C(Nc2ccc(OC)cc2)C(=O)c2ccccc2C1=O
+Absorbance,,720541,945686,CID,COc1cc2c(cc1OC)-c1cc(Nc3ccccc3)nc(=O)n1CC2
+Absorbance,,720541,950852,CID,Oc1ccc(Cl)cc1CNc1cccc2cccnc12
+Absorbance,,720541,972847,CID,COc1ccc(CCNc2nc(-c3ccccn3)cs2)cc1OC
+Absorbance,,720541,983525,CID,O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccccc1
+Absorbance,,720541,992589,CID,CCOc1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1
+Absorbance,,720541,1013432,CID,O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1
+Absorbance,,720541,1069848,CID,NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br
+Absorbance,,720541,1072899,CID,O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCC1
+Absorbance,,720541,1077179,CID,CC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)O)c2)cc1
+Absorbance,,720541,1081872,CID,Cc1ccc(S(=O)(=O)N2c3ccccc3-c3c(ssc3=S)C2(C)C)cc1
+Absorbance,,720541,1095028,CID,Nc1ccc(N2CCCCC2)c2nonc12
+Absorbance,,720541,1100725,CID,O=C(/C=C/c1ccccc1)Oc1ccc(C(=S)N2CCOCC2)cc1
+Absorbance,,720541,1104358,CID,Cc1ccc(-n2[nH]c(C)c(C=Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2=O)cc1C
+Absorbance,,720541,1128830,CID,COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1
+Absorbance,,720541,1139085,CID,COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCC(=O)Nc1ccc2ncccc2c1
+Absorbance,,720541,1186741,CID,CCN1CCN(c2nn3c(=O)c4ccccc4nc3c3ccccc23)CC1
+Absorbance,,720541,1192552,CID,CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1
+Absorbance,,720541,1192760,CID,CCOC(=O)c1c(C)oc2c1c(C=NCc1ccccn1)c(O)c1ccccc12
+Absorbance,,720541,1219913,CID,COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1CN1CCOCC1
+Absorbance,,720541,1221165,CID,Cc1[nH]n(-c2cccc3ccccc23)c(=O)c1C=Nc1ccc2[nH]c(=O)[nH]c2c1
+Absorbance,,720541,1242241,CID,Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccn1
+Absorbance,,720541,1305717,CID,CCc1nnc(NS(=O)(=O)c2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2)s1
+Absorbance,,720541,1329592,CID,O=C(NCc1ccccc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
+Absorbance,,720541,1342362,CID,CC(=O)Oc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)c1
+Absorbance,,720541,1343054,CID,COc1ccccc1OCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
+Absorbance,,720541,1352716,CID,N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccc(F)cc1
+Absorbance,,720541,1353136,CID,Cc1ccc(-c2csc(NC(=O)c3ccccc3F)c2C(=O)O)cc1
+Absorbance,,720541,1353238,CID,Cn1c(=O)c(N)c2c3c(c(Br)ccc31)C(=O)c1ccccc1-2
+Absorbance,,720541,1376847,CID,COc1ccc(N2CCN(Cc3ccc(Br)s3)CC2)cc1
+Absorbance,,720541,1386060,CID,CCN(CC)C(=O)c1ccc(-c2nnc(Nc3ccc(C(=O)NC)cc3)c3ccccc23)cc1
+Absorbance,,720541,1391316,CID,COc1ccc(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)cc1
+Absorbance,,720541,1415822,CID,Cc1oc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2c1C(=O)c1ccc(Cl)cc1
+Absorbance,,720541,1418252,CID,CNC(=O)c1ccc(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)cc1
+Absorbance,,720541,1428071,CID,COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)Cc1ccccc1
+Absorbance,,720541,1449349,CID,Cc1cc(NC(=O)c2ccccc2F)ncc1NC(=O)c1cccs1
+Absorbance,,720541,1548693,CID,CCOC(=O)c1cc2c(N)c(C(=O)c3ccc(Br)cc3)sc2[nH]c1=O
+Absorbance,,720541,1550199,CID,O=C(/C=C\c1ccccc1)Oc1cccc2cccnc12
+Absorbance,,720541,1571545,CID,O=C(NN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S)c1ccccc1Cl
+Absorbance,,720541,1573761,CID,CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CSC1=NCCS1
+Absorbance,,720541,1591868,CID,O=C1/C(=C/c2ccco2)SC(=S)N1c1cccnc1
+Absorbance,,720541,1613877,CID,O=C(O)c1ccc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)cc1Cl
+Absorbance,,720541,1625680,CID,Cc1nc(S/C(=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C(=O)O)n[nH]1
+Absorbance,,720541,1631112,CID,CN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)c2ccccc21
+Absorbance,,720541,1631117,CID,CCOC(=O)CN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)c2ccccc21
+Absorbance,,720541,1714948,CID,CCN1C(=O)/C(=C2/C=Cc3ccccc3N2CC)SC1=S
+Absorbance,,720541,1748177,CID,COc1ccc(-c2coc3cc4oc(=O)c(CC(=O)O)c(C)c4cc23)cc1
+Absorbance,,720541,1754762,CID,Cc1c(CC(=O)NCC(=O)O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12
+Absorbance,,720541,1760469,CID,Cc1c(CCC(=O)NCCCCCC(=O)O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12
+Absorbance,,720541,1765052,CID,COc1ccc(Nc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)c(C)c1
+Absorbance,,720541,1796598,CID,Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)cc1
+Absorbance,,720541,1800867,CID,Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3cc4c(cc3Cl)OCO4)ccc12
+Absorbance,,720541,1802345,CID,Cc1c(CC(=O)NCCCC(=O)O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12
+Absorbance,,720541,1819696,CID,COc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCC(=O)O
+Absorbance,,720541,1838829,CID,CCNC(=O)/C(C#N)=C/c1c(N2CCN(c3ccccc3)CC2)nc2c(C)cccn2c1=O
+Absorbance,,720541,1867702,CID,N#Cc1c2nc3ccccc3nc2n2cc(NC(=O)c3ccc(F)cc3)ccc12
+Absorbance,,720541,1893970,CID,COc1ccc(C(=O)/C=C/Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1OC
+Absorbance,,720541,1961333,CID,Cn1c(=O)cc2c3c(c(N4CCCCC4)ccc31)C(=O)c1ccccc1-2
+Absorbance,,720541,1964415,CID,O=S(=O)(Nc1nccs1)c1ccc(NCc2cc(Br)cc(Br)c2O)cc1
+Absorbance,,720541,1970474,CID,CCOc1ccc2[nH]cc(-c3csc(N)n3)c2c1
+Absorbance,,720541,1994309,CID,C=C(C)COc1ccc(-c2nc(N)nc(C)c2-c2ccc(OC)cc2)c(O)c1
+Absorbance,,720541,1994749,CID,Oc1c(Br)cc(Br)cc1CNc1cccc2cccnc12
+Absorbance,,720541,2024661,CID,COc1cc2c(cc1OC)-c1cc(Nc3ccc(C)cc3)nc(=O)n1CC2
+Absorbance,,720541,2025961,CID,COc1cc2c(cc1OC)-c1cc(Nc3ccc(F)cc3)nc(=O)n1CC2
+Absorbance,,720541,2030972,CID,O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3nc4ccccc4s3)o2)SC1=S
+Absorbance,,720541,2155717,CID,COc1cccc(-c2nnc(SCC(=O)Nc3cc(C)on3)o2)c1
+Absorbance,,720541,2158375,CID,Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4c(=O)n5ccccc5nc4s3)cc2)nc(C)n1
+Absorbance,,720541,2164585,CID,O=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1
+Absorbance,,720541,2171218,CID,CCOC(=O)c1sc(NC(=O)CSc2nc(O)c(Cc3ccccc3)c(=O)[nH]2)nc1C
+Absorbance,,720541,2213073,CID,O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
+Absorbance,,720541,2215808,CID,Cc1nc(C)c(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)s1
+Absorbance,,720541,2231010,CID,CC(=O)Nc1ccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)cc1
+Absorbance,,720541,2288264,CID,Cc1c(N=Nc2c(O)[nH]c(=O)[nH]c2=O)c(=O)n(-c2ccccc2)n1C
+Absorbance,,720541,2310701,CID,N#Cc1c(=O)c2nc(NCc3ccccc3)ncc2n2ccccc12
+Absorbance,,720541,2312658,CID,N#C/C(=C\c1ccc(OC(=O)c2ccccn2)cc1)C(N)=O
+Absorbance,,720541,2325523,CID,NC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c1CCCC2
+Absorbance,,720541,2342744,CID,CC(=O)Oc1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC(C)=O
+Absorbance,,720541,2352555,CID,O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccccn1
+Absorbance,,720541,2361954,CID,O=C(Nc1nncs1)c1cc(-c2ccco2)nc2ccccc12
+Absorbance,,720541,2365415,CID,Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)nc(C)n1
+Absorbance,,720541,2395512,CID,Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2cc3ccccc3oc2=O)n1
+Absorbance,,720541,2409944,CID,CCCCn1nc(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2c1=O
+Absorbance,,720541,2422483,CID,CN1/C(=C\C(=S)NC(=O)c2ccccc2Cl)C(C)(C)c2ccccc21
+Absorbance,,720541,2441007,CID,COc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1S(=O)(=O)N1CCOCC1
+Absorbance,,720541,2458941,CID,COc1ccc(-n2c(SCC(=O)Nc3cc(C(=O)O)ccc3C)nc3ccccc3c2=O)cc1Cl
+Absorbance,,720541,2497075,CID,CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3sc4c(c3-c3nc5ccccc5[nH]3)CCCC4)c2)CC1
+Absorbance,,720541,2517333,CID,CCOc1cc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1O
+Absorbance,,720541,2538053,CID,O=C(O)c1ccc2c(=O)n3cc(C(=O)c4ccccc4O)cc(Cl)c3nc2c1
+Absorbance,,720541,2576526,CID,Cc1cc(C)n2nc(SCCOc3ccccc3F)nc2n1
+Absorbance,,720541,2576978,CID,Cc1csc(NC(=O)c2cc(=O)[nH]c3ccccc23)n1
+Absorbance,,720541,2583404,CID,Cn1nc(C(=O)Nc2nc3ccccc3[nH]2)c2ccccc2c1=O
+Absorbance,,720541,2594420,CID,CSCCC(=O)Nc1nc(-c2ccccn2)cs1
+Absorbance,,720541,2727739,CID,COc1ccc(-n2nc(C)cc2Nc2ccccc2C(=O)O)cc1
+Absorbance,,720541,2727740,CID,Cc1cc(Nc2ccccc2C(=O)O)n(-c2cccc(Cl)c2)n1
+Absorbance,,720541,2746575,CID,C#Cc1cccc(NC(=O)CSc2nnc(-c3ccc(C(F)(F)F)cn3)o2)c1
+Absorbance,,720541,2778653,CID,CC(C)S(=O)(=O)c1cnc(-c2ccccn2)nc1N
+Absorbance,,720541,2788196,CID,O=C(O)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1
+Absorbance,,720541,2812805,CID,Cc1ccc2cc(NC(=O)CC(CC(=O)O)c3ccccc3)ccc2n1
+Absorbance,,720541,2839001,CID,Cc1oc2c(Cl)c(Cl)c(O)c(CN(C)C)c2c1C(=O)c1ccc(Cl)cc1
+Absorbance,,720541,2850825,CID,O=C1C(Nc2cccc(O)c2)=C(N2CCCCC2)C(=O)c2ccccc21
+Absorbance,,720541,2871851,CID,CC(=O)NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O
+Absorbance,,720541,2872334,CID,COc1ccc(C(NC(C)=O)c2ccc3cccnc3c2O)cc1OC
+Absorbance,,720541,2877597,CID,COc1ccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)cc1
+Absorbance,,720541,2877730,CID,COc1ccc(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1OC
+Absorbance,,720541,2894714,CID,O=C(O)c1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1
+Absorbance,,720541,2900494,CID,CC(=O)Oc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(OC(C)=O)cc3)cc(C(=O)NC(C)(C)C)c2)cc1
+Absorbance,,720541,2914899,CID,Cc1cccc(NC2=C(NCCO)C(=O)c3ccccc3C2=O)c1
+Absorbance,,720541,2918375,CID,CCOC(=O)Cc1nnc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)s1
+Absorbance,,720541,2920318,CID,COc1ccc(C(NC(C)=O)c2cc(Cl)c3cccnc3c2O)cc1OC
+Absorbance,,720541,2920814,CID,CC(C)C(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
+Absorbance,,720541,2921752,CID,CCC(=O)NC(c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O
+Absorbance,,720541,2924978,CID,CC1CCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)CC1
+Absorbance,,720541,2928707,CID,CCCC(=O)NC(c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O
+Absorbance,,720541,2933223,CID,COc1ccc(N2CCN(C(=O)c3cc(-c4cc(OC)ccc4OC)nc4ccccc34)CC2)cc1
+Absorbance,,720541,2957275,CID,CCC(C)c1ccc2oc(-c3ccc(NC(=O)c4ncn[nH]4)cc3)nc2c1
+Absorbance,,720541,2960876,CID,CSc1nnc2c(n1)OC(C)=Nc1ccccc1-2
+Absorbance,,720541,2963030,CID,CCOC(=O)Cc1nnc(NC(=O)C(CC)Sc2nnc3c4ccccc4n(C)c3n2)s1
+Absorbance,,720541,2998355,CID,Oc1c(C(Nc2nc3ccccc3s2)c2ccco2)ccc2cccnc12
+Absorbance,,720541,3107241,CID,CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(Br)cc(Br)cc32)=C(O)C1
+Absorbance,,720541,3112730,CID,COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
+Absorbance,,720541,3136134,CID,CCC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O
+Absorbance,,720541,3138753,CID,CCCCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
+Absorbance,,720541,3157645,CID,O=C(NCCCO)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
+Absorbance,,720541,3227970,CID,COc1ccc(-c2ccc(SCc3cccnc3)nn2)cc1OC
+Absorbance,,720541,3259106,CID,COc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OC(=O)c1ccccc1
+Absorbance,,720541,3287130,CID,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc2cc(C)c3ccccc3n12
+Absorbance,,720541,3308980,CID,COc1ccc(CCn2c(=N)c(C(=O)NCC3CCCO3)cc3c(=O)n4ccccc4nc32)cc1
+Absorbance,,720541,3310491,CID,Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3F)c2)n(C)c1=O
+Absorbance,,720541,3343835,CID,COc1ccc(Oc2nc(-c3ccccn3)ncc2OC)cc1
+Absorbance,,720541,3352804,CID,COc1ccc(C(CCNCc2ccc(N(C)C)cc2)C(C)C)cc1
+Absorbance,,720541,3480608,CID,COc1ccc(NC(=O)COc2cccc3c2CCN(C)C3=O)c(OC)c1
+Absorbance,,720541,3488168,CID,CCOC(=O)C1CCCN(C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)C1
+Absorbance,,720541,3515733,CID,CN1CCN(C(c2ccccn2)c2cc(Cl)c3cccnc3c2O)CC1
+Absorbance,,720541,3550153,CID,Cc1ccccc1OCCn1cc(C(=S)N2CCN(C)CC2)c2ccccc21
+Absorbance,,720541,3714790,CID,CCC(C)Nc1nc(-c2ccccn2)nc2ccccc12
+Absorbance,,720541,3728472,CID,O=c1cc2oc3cc(O)c(O)cc3c(-c3ccccc3[N+](=O)[O-])c-2cc1O
+Absorbance,,720541,3735979,CID,COc1ccccc1C(CCNCc1ccc(N(C)C)cc1)c1ccc(OC(C)C)cc1
+Absorbance,,720541,3769681,CID,CCOC(=O)C(C)Sc1nc(-c2ccccn2)ncc1OC
+Absorbance,,720541,3769881,CID,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2c(O)c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])ccc23)cc1
+Absorbance,,720541,3796606,CID,O=C1C(NS(=O)(=O)c2cccs2)=C(N2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc21
+Absorbance,,720541,3799497,CID,CC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CCN(Cc4ccccc4)CC3)C(=O)c3ccccc3C2=O)cc1
+Absorbance,,720541,3823676,CID,O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1
+Absorbance,,720541,3848313,CID,COc1cnc(-c2ccccn2)nc1Oc1ccc(C(C)(C)C)cc1
+Absorbance,,720541,3851518,CID,CSCc1cc(N(C)c2ccccc2)nc(-c2ccccn2)n1
+Absorbance,,720541,3953858,CID,Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1
+Absorbance,,720541,4036161,CID,CCOc1ccc(Nc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc1
+Absorbance,,720541,4042848,CID,Nc1ccccc1C(=O)NNc1c2ccccc2nc2ccccc12
+Absorbance,,720541,4091588,CID,Cc1ccc(Nc2c(-c3ccccn3)nc3ccc(C)cn23)cc1
+Absorbance,,720541,4266991,CID,O=c1[nH][nH]cc1C=Nc1cc(Cl)ccc1O
+Absorbance,,720541,4301150,CID,CC(=O)Nc1ccc(S(=O)(=O)[O-])c2cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)c4ccc(S(=O)(=O)[O-])cc34)c(O)c12
+Absorbance,,720541,4309009,CID,CCOC(=O)C1CCN(C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)CC1
+Absorbance,,720541,4351179,CID,O=C1C(NS(=O)(=O)c2ccc(Br)cc2)=C(N2CCCCC2)C(=O)c2ccccc21
+Absorbance,,720541,4390920,CID,COc1cc(N=c2oc3c(C)ncc(CO)c3cc2C(N)=O)cc(OC)c1OC
+Absorbance,,720541,4525610,CID,Cc1cccc(Nc2nnc(SCC(=O)NCC3CCCO3)s2)c1
+Absorbance,,720541,4540398,CID,CC1CCC(=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1
+Absorbance,,720541,4569772,CID,Oc1c(C(c2cccs2)N2CCN(c3ccccc3)CC2)sc2ncnn12
+Absorbance,,720541,4579512,CID,CCn1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3F)c2C)c(=O)c2ccc(C)nc21
+Absorbance,,720541,4581041,CID,O=C(COc1ccccc1)Nc1nnc(-c2ccco2)o1
+Absorbance,,720541,4608536,CID,CN(C)S(=O)(=O)c1ccc(C(=O)NNc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1
+Absorbance,,720541,4619591,CID,CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccccc2S(=O)(=O)[O-])cc1
+Absorbance,,720541,4693003,CID,CC1CCC2C(=O)N(c3ccc(C(=O)Oc4cccc5cccnc45)cc3)C(=O)C2C1
+Absorbance,,720541,4736989,CID,O=C(O)CSc1ccc2nnc(-c3cccnc3)n2n1
+Absorbance,,720541,4744359,CID,CN(C)c1ccc(NC(=O)CC(NCc2ccccn2)C(=O)O)cc1
+Absorbance,,720541,4783695,CID,CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1
+Absorbance,,720541,4852724,CID,COc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1S(=O)(=O)N1CCOCC1
+Absorbance,,720541,4853713,CID,O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(S(=O)(=O)N2CCOCC2)c1
+Absorbance,,720541,4856194,CID,CCN1C(=O)c2cccc3c(S(=O)(=O)N(C(C)=O)c4ccc(OC(C)=O)cc4)ccc1c23
+Absorbance,,720541,4971481,CID,Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1nc1n2CCN1Cc1ccco1
+Absorbance,,720541,5033819,CID,O=C(Nc1nc(-c2ccccn2)cs1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
+Absorbance,,720541,5081356,CID,O=S(=O)([O-])c1ccc2c(N=Nc3ccc(S(=O)(=O)[O-])c4ccccc34)c(O)c(S(=O)(=O)[O-])cc2c1
+Absorbance,,720541,5170830,CID,CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)cc1
+Absorbance,,720541,5201260,CID,Oc1c(C(c2ccc(Cl)cc2)N2CCCC2)cc(Cl)c2cccnc12
+Absorbance,,720541,5220152,CID,CC1CCN(C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)CC1
+Absorbance,,720541,5284842,CID,N#CC1=C(N)n2c(s/c(=C\c3cccs3)c2=O)=C(C#N)C1c1cccs1
+Absorbance,,720541,5309959,CID,O=C(Nc1ccccc1Cl)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1
+Absorbance,,720541,5310291,CID,COC(=O)c1ccc(CSc2ccc3nnc(-c4ccccn4)n3n2)o1
+Absorbance,,720541,5343613,CID,O=C(O)/C=C/C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
+Absorbance,,720541,5417965,CID,Nc1ccc2nc3c(=O)[nH]c(=S)[nH]c3nc2c1
+Absorbance,,720541,5431398,CID,O=C(O)c1cc(-c2ccc(/C=C3\NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl
+Absorbance,,720541,5440998,CID,CC1=NN(c2ccccc2)C(=O)/C1=C\C=C1/N(C)c2ccccc2C1(C)C
+Absorbance,,720541,5736670,CID,COc1ccccc1/C=C/C(=O)Oc1cccc2cccnc12
+Absorbance,,720541,5756549,CID,CN1/C(=C\C=C2/SC(=S)NC2=O)C(C)(C)c2ccccc21
+Absorbance,,720541,5762008,CID,Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCn2ccnc2)cc1
+Absorbance,,720541,5762790,CID,COc1cc(NS(=O)(=O)c2ccc(N/C=C\C(=O)c3ccc(OC)c(OC)c3)cc2)nc(OC)n1
+Absorbance,,720541,5770495,CID,CCc1ccc2[nH]c3nc(SCC(=O)NCC4CCCO4)nnc3c2c1
+Absorbance,,720541,5784745,CID,CN(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1
+Absorbance,,720541,5809028,CID,CN(C)c1ccc(/C=C/C=C2/C=Cc3ccccc32)cc1
+Absorbance,,720541,5810626,CID,CCc1cnc2ccccc2c1/C=C/c1ccc(N(C)C)cc1
+Absorbance,,720541,5869072,CID,COc1cc(N(C)C)c(OC)cc1/C=C1\C=Cc2ccccc21
+Absorbance,,720541,5880571,CID,Cc1cc(C)c2c(/C=C/c3ccc(N(C)C)cc3)ccnc2c1
+Absorbance,,720541,5899347,CID,CCN(CC)c1ccc(/C=C2\C=Cc3ccccc32)cc1
+Absorbance,,720541,5915453,CID,COc1cc(OC)c(OC)cc1/C=C/c1nccc2ccccc12
+Absorbance,,720541,5922856,CID,O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1ccncc1
+Absorbance,,720541,5933794,CID,COc1cc(OC)c(OC)cc1/C=C1\C=Cc2ccccc21
+Absorbance,,720541,5973639,CID,CNc1ccc(/C=C2\C=Cc3ccccc32)cc1OC
+Absorbance,,720541,6052008,CID,CN(C)c1ccc(/C=C/c2ccnc3ccc(-c4ccccc4)cc23)cc1
+Absorbance,,720541,6054974,CID,Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1
+Absorbance,,720541,6061423,CID,CCN(CC)c1ccc(/C=C2\CCC(/C=C(\C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)cc1
+Absorbance,,720541,6080923,CID,C1=Cc2ccccc2/C1=C\c1cc2c3c(c1)CCCN3CCC2
+Absorbance,,720541,6105232,CID,COc1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC
+Absorbance,,720541,6161163,CID,COc1ccc(C2CC(c3ccccc3OC(=O)/C=C/c3ccccc3)=NN2C(C)=O)cc1
+Absorbance,,720541,6165561,CID,CN(C)c1ccc(/C=C2\C=Cc3ccccc32)c(Cl)c1
+Absorbance,,720541,6179338,CID,Cc1cnc2ccc(I)cc2c1/C=C/c1ccc(N(C)C)cc1
+Absorbance,,720541,6237926,CID,O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(C(=O)O)c(O)c1
+Absorbance,,720541,6272719,CID,O=C1/C(=C\c2cccc([N+](=O)[O-])c2O)SC(=S)N1Cc1ccccc1
+Absorbance,,720541,6310213,CID,Cc1cc(/C=C2\C=Cc3ccccc32)ccc1N(C)C
+Absorbance,,720541,6402388,CID,O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1ccccc1F
+Absorbance,,720541,6407879,CID,O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
+Absorbance,,720541,6408753,CID,CCOC(=O)Cc1nnc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)s1
+Absorbance,,720541,6462907,CID,Clc1ccc(-c2ccc(CNCc3ccccn3)o2)cc1
+Absorbance,,720541,6464045,CID,Fc1ccc(-c2ccc(CNCc3ccccn3)o2)cc1
+Absorbance,,720541,6492315,CID,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccccc1F
+Absorbance,,720541,6507271,CID,CN(C)c1ccc(/C=C2\C(=O)/C(=C/c3ccc(N(C)C)cc3)c3ccccc32)cc1
+Absorbance,,720541,6507277,CID,COc1ccc2c(c1)C=C/C2=C\c1ccc(N(C)C)cc1
+Absorbance,,720541,6508601,CID,O=[N+]([O-])c1ccc(/C=C2\C=Cc3ccccc32)cc1
+Absorbance,,720541,6517290,CID,CCOC(=O)C(C)N1C(=O)S/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C1=O
+Absorbance,,720541,6521139,CID,CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccn2)cc1
+Absorbance,,720541,6533011,CID,CC(C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C/c2ccco2)SC1=S
+Absorbance,,720541,6623759,CID,CC1CCCN(c2ccc3nc4ccccc4c(=O)n3n2)C1
+Absorbance,,720541,6623953,CID,c1ccc(CSc2ccc3nnc(-c4ccccn4)n3n2)cc1
+Absorbance,,720541,6851203,CID,Cc1c(CC(=O)N[C@@H](C)C(=O)O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12
+Absorbance,,720541,6861834,CID,CCN(CC)c1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1
+Absorbance,,720541,6878798,CID,COc1ccccc1N1CCN(/N=C/C=C\c2ccccc2[N+](=O)[O-])CC1
+Absorbance,,720541,6880364,CID,S=c1[nH]nc(-c2ccccn2)n1/N=C/c1ccc(Br)s1
+Absorbance,,720541,7179208,CID,O=C(O)CCCCCNS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O
+Absorbance,,720541,7190444,CID,O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1ccccc1
+Absorbance,,720541,7190468,CID,O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1ccccc1F
+Absorbance,,720541,7190532,CID,Brc1ccc(CSc2ccc3nnc(-c4ccccn4)n3n2)cc1
+Absorbance,,720541,7207375,CID,O=C(CSc1ccc(-c2ccccn2)nn1)N1CCCC1
+Absorbance,,720541,7207377,CID,O=C(CSc1ccc(-c2ccccn2)nn1)N1CCCCC1
+Absorbance,,720541,7207402,CID,Cc1csc(NC(=O)CSc2ccc(-c3ccccn3)nn2)n1
+Absorbance,,720541,7207466,CID,COc1ccccc1CNC(=O)CSc1ccc(-c2ccccn2)nn1
+Absorbance,,720541,7217780,CID,COc1cccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)c1OC
+Absorbance,,720541,7259313,CID,COC(=O)c1ccc(NC(=O)CSc2nc(=O)n3cccc(C)c3n2)cc1
+Absorbance,,720541,7502931,CID,COc1cc(NC(=O)CSc2ccc(-c3ccccn3)nn2)cc(OC)c1
+Absorbance,,720541,8587502,CID,COc1ccc(N2CCN(Cc3cc4c(cc3Br)OCCO4)CC2)cc1
+Absorbance,,720541,8606577,CID,CCOc1ccccc1C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1
+Absorbance,,720541,9319123,CID,CCn1nc(C(=O)Nc2nc(-c3ccccn3)cs2)c2ccccc2c1=O
+Absorbance,,720541,9500339,CID,Cc1n[nH]c(=S)n(NC(=O)CC(=O)Nn2c(=S)[nH]nc(C)c2=O)c1=O
+Absorbance,,720541,9550941,CID,COC(=O)c1ccccc1NC1=C/C(=N\S(=O)(=O)c2cccs2)c2ccccc2C1=O
+Absorbance,,720541,9551786,CID,O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1)c1ccccc1
+Absorbance,,720541,9653716,CID,Cc1cc(/C=N/NC(=O)c2ccccn2)c(C)n1-c1cccc([N+](=O)[O-])c1
+Absorbance,,720541,10860295,CID,CNc1ccc2nc3ccccc3[n+](C)c2c1.[O-][Cl+3]([O-])([O-])[O-]
+Absorbance,,720541,11948868,CID,CN(C)CCCOc1ccc(NC2c3ccccc3CSc3ccccc32)cc1.O=C(O)C(=O)O
+Absorbance,,720541,12006154,CID,COc1ccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)cc1OC
+Absorbance,,720541,15944724,CID,O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(F)cc1
+Absorbance,,720541,15945322,CID,CC(C)Nc1nnc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1
+Absorbance,,720541,16002336,CID,Cc1ccccc1Nc1c(-c2ccccn2)nc2ccccn12
+Absorbance,,720541,16010332,CID,Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4nc5c(c(C(=O)O)c4c3)CC(C)CC5)CC2)cc1
+Absorbance,,720541,16019295,CID,Cc1ccccc1NC(=O)CSc1ccc(-c2ccccn2)nn1
+Absorbance,,720541,16019299,CID,Cc1cc(C)c(NC(=O)CSc2ccc(-c3ccccn3)nn2)c(C)c1
+Absorbance,,720541,16028115,CID,COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)c(OC)c1
+Absorbance,,720541,16034097,CID,COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4nc5c(c(C(=O)O)c4c3)CCCC5)CC2)cc1
+Absorbance,,720541,16187108,CID,Cc1nnc2sc(SCC(=O)Nc3ccc(Br)cc3)nn2c1=O
+Absorbance,,720541,16188599,CID,CN1C=C/C(=C\c2cc[n+](C)c3ccccc23)c2ccccc21
+Absorbance,,720541,16191472,CID,COc1cccc(C(=O)C2CCCN(CC3=Cc4cc(OC)ccc4OC3)C2)c1
+Absorbance,,720541,16191927,CID,CCn1ccnc1CNCc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1
+Absorbance,,720541,16195582,CID,c1ccc2c(c1)nc(Nc1ccc(N3CCCCC3)cc1)c1nncn12
+Absorbance,,720541,16196274,CID,COc1ccc(-c2cc(=NCCC(=O)O)c3cc(C)ccc3o2)cc1.[O-][Cl+3]([O-])([O-])O
+Absorbance,,720541,16297331,CID,COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(C(=O)NC2CC2)c1
+Absorbance,,720541,16312646,CID,CCOc1ccc(NC(=O)COc2cccc3cccnc23)cc1S(=O)(=O)N1CCCC1
+Absorbance,,720541,16313297,CID,CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)c1
+Absorbance,,720541,16456746,CID,Cc1ccc(Nc2nc(NCCO)nc3c2cnn3C)cc1Cl
+Absorbance,,720541,16759544,CID,O=S(=O)(Nc1cccc2cccnc12)c1ccccc1Br
+Absorbance,,720541,16759557,CID,O=C(CCCl)Nc1cccc2cccnc12
+Absorbance,,720541,16815585,CID,CCCCC(Sc1ccc2nnc(-c3ccccn3)n2n1)C(=O)O
+Absorbance,,720541,16833734,CID,COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)CC4CCCO4)cc3)o2)c(OC)c1
+Absorbance,,720541,17332195,CID,Clc1cccc(-c2ccc(CNCc3ccccn3)o2)c1
+Absorbance,,720541,17580858,CID,Cc1coc2c(C)c3oc(=O)c(CCC(=O)N4CCC(C(=O)NCCCC(=O)O)(c5ccccc5)CC4)c(C)c3cc12
+Absorbance,,720541,17583470,CID,Cc1ccc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)nc1
+Absorbance,,720541,17584318,CID,O=C(Nc1ccc(F)cc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
+Absorbance,,720541,17588887,CID,COc1ccc2c(c1)c1nnc(SC(C)C)nc1n2C
+Absorbance,,720541,18561030,CID,O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1ccccc1C(F)(F)F
+Absorbance,,720541,20888919,CID,O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1CCN(c2cccc(Cl)c2)CC1
+Absorbance,,720541,20926897,CID,COc1cc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1Cl
+Absorbance,,720541,22581373,CID,O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccccn2)cs1
+Absorbance,,720541,24687435,CID,CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1
+Absorbance,,720541,24747007,CID,COc1cc2[nH]cc(C(=O)NCc3ccccc3)c(=O)c2cc1OC
+Absorbance,,720541,24747640,CID,COc1cc(OC)c(OC)cc1CCC(C)NCCC(c1ccccc1)c1ccccc1
+Absorbance,,720541,24762068,CID,CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1
+Absorbance,,720541,24793992,CID,CCOC(=O)c1[nH]c2ccc(C(=O)OC)cc2c1C(=O)OCC
+Absorbance,,720541,24906363,CID,COc1cccc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)C2
+Absorbance,,720541,25162618,CID,O=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCN(c2ccccc2O)CC1
+Absorbance,,720541,25163771,CID,CCOc1ccc(NC(=O)C2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1OCC
+Absorbance,,720541,44144108,CID,COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(N(C)C)cc1
+Absorbance,,720541,44820557,CID,S=C(NCCCc1cnc[nH]1)NCCCN(Cc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cn1
+Absorbance,,720541,45479889,CID,Cc1ccc2c(C)c3ccc4ccccc4c3c[n+]2c1.[O-][Cl+3]([O-])([O-])O
+Absorbance,,720541,46173694,CID,CN(C)c1ccc(/C=C2\C=Cc3cc(N)ccc32)cc1
+Absorbance,,720541,46944025,CID,COc1cc(CNC(=O)Nc2nc(C(N)c3ccccc3)cs2)cc(OC)c1OC
+Absorbance,,720541,51360565,CID,Cn1ccc2c(N3CCCC3)cc3c(c21)C1CCC3C1
+Absorbance,,720541,53315150,CID,CN(C)c1ccc(/C=C2\c3ccccc3-c3ccc(N(C)C)cc32)cc1
+Absorbance,,720541,53315160,CID,C/C(=C1/C=Nc2ccccc21)c1ccc(N(C)C)cc1
+Absorbance,,720541,53315161,CID,CN(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1N
+Absorbance,,720541,53315173,CID,CN(C)C1=C2C=CC=CC2/C(=C2/C=Cc3ccccc32)C=C1
+Absorbance,,720541,53315176,CID,CN(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1[N+](=O)[O-]
+Absorbance,,720541,53315183,CID,Cc1ccc2c(/C=C/c3ccc(N(C)C)cc3)c(C)cnc2c1
+Absorbance,,720541,53315278,CID,CN(C)c1ccc(/C=C2\C(Cl)=Cc3ccccc32)cc1
+Absorbance,,720541,53315279,CID,CC1=C/C(=C\c2ccc(N(C)C)cc2)c2ccccc21
+Absorbance,,720541,53315412,CID,COc1cc(/C=C2/C=Cc3ccccc32)ccc1N(C)C
+Absorbance,,720541,53315471,CID,C[n+]1ccc(/C=C/c2cc[n+](C)c3ccccc23)c2ccccc21
+Absorbance,,720541,53315502,CID,C[N+](C)(CCCCCI)c1ccc(/C=C/c2nc3ccccc3s2)cc1
+Absorbance,,720541,53315532,CID,COc1cc(N(C)C)ccc1/C=C1\C=Cc2ccccc21
+Absorbance,,720541,53315549,CID,CN(C)c1ccc(C2C=Cc3ccccc32)c2ccccc12
+Absorbance,,720541,53315605,CID,CCN(CC)c1ccc(/C=C/c2c(C)cnc3ccc(C)cc23)cc1
+Absorbance,,720541,53382804,CID,O=C(N[C@@H]1CC[C@H](CCn2cc(-c3ccccn3)nn2)O[C@@H]1CO)c1ccncc1
+Absorbance,,720541,54688584,CID,COc1ccc(S(=O)(=O)c2c(O)c3ccc(C(=O)Nc4cccc(F)c4)cc3[nH]c2=O)cc1
+Absorbance,,720541,54691676,CID,Cc1csc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)n1
+Absorbance,,720541,54716022,CID,COc1ccc(S(=O)(=O)c2c(O)c3ccc(C(=O)Nc4ccccc4F)cc3[nH]c2=O)cc1
+Absorbance,,720541,135400129,CID,Nc1nc2c(c(=O)[nH]1)C(c1cccc3ccccc13)C1=C(N2)c2ccccc2C1=O
+Absorbance,,720541,135400158,CID,CC(C)Cc1nc2oc3c(=O)[nH]cnc3c2c2c1CCC2
+Absorbance,,720541,135401390,CID,COc1cccc(C=NCC(C)N=Cc2cccc(OC)c2O)c1O
+Absorbance,,720541,135403797,CID,O=c1c(O)cccc2cc(O)c(O)c(O)c12
+Absorbance,,720541,135408784,CID,Nc1nc2nn(-c3ccccc3)nc2c(=O)[nH]1
+Absorbance,,720541,135414609,CID,CCc1c(C)nc(Nc2nc(C)c3ccc(OC)cc3n2)[nH]c1=O
+Absorbance,,720541,135414651,CID,C/C=C/c1ccc(OCCSc2nc(C)cc(=O)[nH]2)c(OC)c1
+Absorbance,,720541,135422692,CID,Cc1cc(O)cc(O)c1/C=N/NC(=O)c1ccc2c(c1)OCCO2
+Absorbance,,720541,135425034,CID,CCOc1ccc(C2C3=C(Nc4nc(N)[nH]c(=O)c42)c2ccccc2C3=O)cc1
+Absorbance,,720541,135433216,CID,CCCOc1ccc(C2C3=C(Nc4nc(N)[nH]c(=O)c42)c2ccccc2C3=O)cc1
+Absorbance,,720541,135457059,CID,O=c1cc(CSc2ccc(Cl)cc2)nc(-c2ccccn2)[nH]1
+Absorbance,,720541,135460450,CID,Nc1nc2c(c(=O)[nH]1)C(c1ccccc1)C1=C(N2)c2ccccc2C1=O
+Absorbance,,720541,135476836,CID,COc1cccc(/C=N/N2C(=O)CSC2=S)c1O
+Absorbance,,720541,135477509,CID,O=C(c1cccs1)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[nH]2)CC1
+Absorbance,,720541,135501733,CID,Cc1nc(-n2[nH]c3c(c2=O)CCCC3)[nH]c(=O)c1Cc1ccccc1
+Absorbance,,720541,135509705,CID,CCc1ccc(N=C2NC(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)S2)cc1
+Absorbance,,720541,135544641,CID,O=C(NCCCNC1CCCCC1)c1ccc(/C=N/O)nc1
+Absorbance,,720541,136153107,CID,Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(/C=C/c3ccccc3)c(O)c12
+Absorbance,,1159604,117077023,CID,C=CCOCCOc1cc(-c2cn[nH]c2)ccc1NC(=O)C1COc2ccc(OC)cc2C1
+Absorbance,,1159604,117077607,CID,COc1cccc(CNC(=O)c2c(C)nc3ccc(-c4ccc5nc(C)c(C(=O)NCc6cccc(OC)c6)n5c4)cn23)c1
+Absorbance,,1159604,117079834,CID,COc1cc2nc(Nc3cccc(N(C)C)c3)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC
+Absorbance,,1159604,117080611,CID,COc1cc2nc(NC3CCN(Cc4ccccc4)CC3)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC
+Absorbance,,1159604,117080767,CID,COc1cc2nc(Nc3cccc(N(C)C)c3)nc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
+Absorbance,,1159604,117081696,CID,CC(C)n1cnc2c(NCc3cccc(C(F)(F)F)c3)nc(Nc3ccc(N4CCOCC4)cc3)nc21
+Absorbance,,1159604,117082319,CID,c1ccc(CN2CCC(Nc3nc(Nc4ccc(N5CCOCC5)cc4)nc4c3ncn4-c3ccsc3)CC2)cc1
+Absorbance,,1159604,117083143,CID,COc1cc2nc(Nc3ccc4ncccc4c3)nc(Nc3ccc(NC(C)=O)cc3)c2cc1OC
+Absorbance,,1159604,117083305,CID,COc1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC
+Absorbance,,1159604,117083581,CID,COc1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(Nc3ccc(OCCN4CCCCC4)cc3)c2cc1OC
+Absorbance,,1159604,117083691,CID,COc1cc(Nc2ccnc(Nc3cccc(N(C)C)c3)n2)cc(OC)c1OC
+Absorbance,,1159604,117083739,CID,Cc1cc(Nc2ccc3c(c2)OCO3)nc(Nc2cccc(N(C)C)c2)n1
+Absorbance,,1159604,117084072,CID,COc1ccc(CCNc2nc(Nc3ccc(N4CCOCC4)cc3)nc3c2ncn3Cc2ccc(C(F)(F)F)cc2)cc1
+Absorbance,,1159604,117084342,CID,Cc1cc(NCCOc2ccccc2)nc(Nc2cccc(N(C)C)c2)n1
+Absorbance,,1159604,117084481,CID,COc1cc2nc(NCc3ccc4c(c3)OCO4)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC
+Absorbance,,1159604,117084526,CID,Cc1cc(NCCc2ccc(O)cc2)nc(Nc2cccc(N(C)C)c2)n1
+Absorbance,,1159604,117084539,CID,COc1cc2nc(Nc3cccc(N(C)C)c3)nc(Nc3ccc4c(c3)OCO4)c2cc1OC
+Absorbance,,1159604,117085207,CID,Cc1cc(Nc2ccc(N3CCOCC3)cc2)nc(Nc2ccccc2)n1
+Absorbance,,1159604,117085351,CID,Cc1cc(Nc2ccc(N3CCOCC3)cc2)nc(N2CCc3ccccc3C2)n1
+Absorbance,,1159604,117085413,CID,COc1cc2nc(Nc3ccncc3)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC
+Absorbance,,1159604,117085431,CID,FC(F)(F)c1cccc(CNc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1
+Absorbance,,1159604,117086086,CID,COc1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
+Absorbance,,1159604,117086403,CID,Cc1cc(Nc2ccc(N3CCOCC3)cc2)nc(NCc2ccc3c(c2)OCO3)n1
+Absorbance,,1159604,117086520,CID,COc1ccc(CCNc2cc(C)nc(Nc3cccc(N(C)C)c3)n2)cc1
+Absorbance,,1159604,117086607,CID,Cc1cc(Nc2ccc(N3CCOCC3)cc2)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1
+Absorbance,,1159604,117086627,CID,Cc1cc(NCc2cccc(C(F)(F)F)c2)nc(Nc2ccc(N3CCOCC3)cc2)n1
+Absorbance,,1159604,117086760,CID,Cc1cc(Nc2ccc(N3CCOCC3)cc2)nc(N2CCN(c3ccccn3)CC2)n1
+Absorbance,,1159604,117086891,CID,Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1cccc(C(F)(F)F)c1
+Absorbance,,1159604,117087000,CID,COc1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(Nc3ccc4c(c3)OCO4)c2cc1OC
+Absorbance,,1159604,117087145,CID,COc1ccc(CCNc2nc(Nc3ccc(N4CCOCC4)cc3)nc3c2ncn3-c2ccsc2)cc1
+Absorbance,,1159604,117087253,CID,c1ccc(CN2CCC(Nc3nc(Nc4ccc(N5CCOCC5)cc4)nc4c3ncn4C3CCCCC3)CC2)cc1
+Absorbance,,1159604,117087503,CID,c1ccc(CN2CCC(Nc3nc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4c3ncn4C3CCCCC3)CC2)cc1
+Absorbance,,1159604,117087978,CID,c1ccc(OCCNc2nc(Nc3ccc(N4CCOCC4)cc3)nc3c2ncn3C2CCCCC2)cc1
+Absorbance,,1159604,117088512,CID,CCN(CC)c1nc(Nc2ccc(N3CCOCC3)cc2)nc(Nc2ccc(-n3ccnc3)cc2)n1
+Absorbance,,1159604,117088646,CID,COc1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC
+Absorbance,,1159604,117089220,CID,COc1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NCCOc3ccccc3)c2cc1OC
+Absorbance,,1159604,117089819,CID,COc1cc2nc(Nc3cccc(N(C)C)c3)nc(NCCOc3ccccc3)c2cc1OC
+Absorbance,,1159604,117090776,CID,COc1ccc(CCNc2nc(Nc3cccc(N(C)C)c3)nc3cc(OC)c(OC)cc23)cc1
+Absorbance,,1159604,117090986,CID,COc1ccc(CCNc2nc(Nc3ccc(N4CCOCC4)cc3)nc3cc(OC)c(OC)cc23)cc1
+Absorbance,,1159604,117091095,CID,CC(C)n1cnc2c(Nc3ccc4c(c3)OCO4)nc(NCc3ccc4c(c3)OCO4)nc21
+Absorbance,,1159604,117091186,CID,COc1cc2nc(Nc3cccc(N(C)C)c3)nc(NC3CC3)c2cc1OC
+Absorbance,,1159604,117091246,CID,COc1cc2nc(Nc3cccc(N(C)C)c3)nc(Nc3ccc(NC(C)=O)cc3)c2cc1OC
+Absorbance,,1159604,117091326,CID,Cc1cc(NC2CCN(Cc3ccccc3)CC2)nc(Nc2cccc(N(C)C)c2)n1
+Absorbance,,1159604,117091355,CID,COc1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(Nc3ccccc3)c2cc1OC
+Absorbance,,1159604,117091404,CID,COc1cc2nc(Nc3cccc(N(C)C)c3)nc(Nc3ccccc3)c2cc1OC
+Absorbance,,1159604,117091434,CID,CC(C)n1cnc2c(NC3CCN(Cc4ccccc4)CC3)nc(Nc3ccc(N4CCOCC4)cc3)nc21
+Absorbance,,1159604,117091610,CID,CCNc1nc(Nc2ccc(N3CCOCC3)cc2)c2cc(OC)c(OC)cc2n1
+Absorbance,,1159604,117091641,CID,CC(C)n1c(Nc2cccc(N(C)C)c2)nc2c(Nc3ccc(N4CCOCC4)cc3)ncnc21
+Absorbance,,1159604,117091937,CID,COc1cc2nc(Nc3nc4ccccc4n3C)nc(Nc3ccc(NC(C)=O)cc3)c2cc1OC
+Absorbance,,1159604,117092922,CID,COc1cc2nc(Nc3ccccc3)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC
+Absorbance,,1159604,117092954,CID,COc1cc2nc(Nc3cc(OC)c(OC)c(OC)c3)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC
+Absorbance,,504689,11102,CID,CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1
+Absorbance,,504689,65558,CID,O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c(Cl)c1
+Absorbance,,504689,165308,CID,O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c([N+](=O)[O-])c1
+Absorbance,,504689,616267,CID,COc1cc2nc(N3CCNCC3)nc(N)c2cc1OC
+Absorbance,,504689,644274,CID,Clc1ccc(C(c2ccc(Cl)cc2)n2cc[n+](CC(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1
+Absorbance,,504689,652912,CID,COc1cccc2c1NC(C(=O)O)C1CC=CC21
+Absorbance,,504689,854635,CID,c1coc(-c2nc(-c3ccco3)c(-c3ccco3)nc2-c2ccco2)c1
+Absorbance,,504689,1833641,CID,CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1
+Absorbance,,504689,1837712,CID,CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1
+Absorbance,,504689,1838764,CID,CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1
+Absorbance,,504689,2080746,CID,CN(C)CCCn1c(SCC(=O)Nc2nc(-c3cccc(Br)c3)cs2)nc2ccccc2c1=O
+Absorbance,,504689,2827177,CID,O=C(C[n+]1ccc(CCSc2ccc(F)cc2)cc1)c1ccccc1
+Absorbance,,504689,5430631,CID,COc1ccc(/C=C/C(=O)Nc2c(C)nn(C)c2C)cc1COc1ccc(Cl)cc1Br
+Absorbance,,504689,5702238,CID,Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCC[N+](C)(C)Cc1ccccc1
+Absorbance,,504689,5719375,CID,CC[n+]1c(/C=C/N(C)c2ccccc2)n(-c2ccccc2)c2ccc(-c3nc4ccccc4s3)cc21
+Absorbance,,504689,5773323,CID,Cc1cc(N)c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc2n1
+Absorbance,,504689,6603748,CID,N#CSc1ccc2oc(C3=NCCN3)cc2c1
+Absorbance,,504689,9586497,CID,NC(N)=N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1
+Absorbance,,504689,9594974,CID,COc1ccc2nc(C)cc(N/N=C/c3ccc(F)cc3)c2c1
+Absorbance,,504689,9594976,CID,COc1ccc(/C=N/Nc2cc(C)nc3ccc(OC)cc23)c(OC)c1
+Absorbance,,504689,16196440,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H](Cc3cc4ccccc4[nH]3)n3cc([C@@H](N)C(C)CC)nn3)CC2)nc(N2CCN(C(=O)[C@H](Cc3cc4ccccc4[nH]3)n3cc([C@@H](N)Cc4ccc(O)cc4)nn3)CC2)n1
+Absorbance,,504689,16196578,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H](Cc3cc4ccccc4[nH]3)n3cc([C@@H](N)CC(C)C)nn3)CC2)nc(N2CCN(C(=O)[C@H](Cc3cc4ccccc4[nH]3)n3cc([C@@H](N)CC(C)C)nn3)CC2)n1
+Absorbance,,504689,16239425,CID,NC(N)=N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
+Absorbance,,504689,16240138,CID,NC(N)=N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1
+Absorbance,,504689,16472035,CID,c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1
+Absorbance,,504689,16682517,CID,CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1
+Absorbance,,504689,16746136,CID,CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cncc(-c5ccc(C#N)cc5)c4)cc(OC)c3)cc2C(F)(F)F)CC1
+Absorbance,,504689,18567276,CID,COc1ccnc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C
+Absorbance,,504689,18593578,CID,CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc21
+Absorbance,,504689,18968508,CID,CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC
+Absorbance,,504689,22332182,CID,Nc1ccc2nc(-c3cccc(-c4nc5ccc(N)cc5[nH]4)n3)[nH]c2c1
+Absorbance,,504689,24746791,CID,CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc21
+Absorbance,,504689,24747653,CID,CCCCCCCCCCOC(=O)Cn1c(COc2ccc(Cl)cc2)[n+](C)c2ccccc21
+Absorbance,,504689,24747725,CID,CCCCCCCCCCC[N+](C)(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21
+Absorbance,,504689,24747730,CID,CCCCCCCCCC[N+](C)(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21
+Absorbance,,504689,24762072,CID,COc1cc2nc(Nc3ccc(C)c(Cl)c3)nc(N)c2cc1OC
+Absorbance,,504689,24892212,CID,COc1ccc(OC)c2sc(N(CCCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc12
+Absorbance,,504689,24978563,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(CCCC(=O)O)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n3cc(C[C@@H](C)CC)nn3)CC2)n1
+Absorbance,,504689,24978566,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C[C@@H](C)CC)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n3cc(C[C@@H](C)CC)nn3)CC2)n1
+Absorbance,,504689,24978568,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n3cc(C[C@@H](C)CC)nn3)CC2)n1
+Absorbance,,504689,24978573,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)Cn3cc(C[C@@H](C)O)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n3cc(C[C@@H](C)CC)nn3)CC2)n1
+Absorbance,,504689,24978595,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)Cn3cc(CCCCCN)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)Cn3cc(CCCCCN)nn3)CC2)n1
+Absorbance,,504689,24978599,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)Cn3cc(CCCCCN)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H]([C@@H](C)CC)n3cc(CCCCN=C(N)N)nn3)CC2)n1
+Absorbance,,504689,24981563,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n3cc(CCCSC)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n3cc(C[C@@H](C)CC)nn3)CC2)n1
+Absorbance,,504689,24983076,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n3cc(CCO)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H]([C@@H](C)CC)n3cc(CCCCN=C(N)N)nn3)CC2)n1
+Absorbance,,504689,24983198,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H]([C@@H](C)CC)n3cc(CCCCCN)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H]([C@@H](C)CC)n3cc(CCCCN=C(N)N)nn3)CC2)n1
+Absorbance,,504689,24983199,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)Cn3cc(CCCCCN)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n3cc(CCO)nn3)CC2)n1
+Absorbance,,504689,25162994,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n3cc(CCO)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n3cc(C[C@@H](C)CC)nn3)CC2)n1
+Absorbance,,504689,25162995,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H]([C@@H](C)CC)n3cc(CCCCN=C(N)N)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C)nn3)CC2)n1
+Absorbance,,504689,25162997,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)CC)n3cc(CCCCCN)nn3)CC2)n1
+Absorbance,,504689,25163000,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)Cn3cc(C[C@@H](C)O)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)CC)n3cc(CCCCCN)nn3)CC2)n1
+Absorbance,,504689,25163007,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)Cn3cc(CCCCCN)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n3cc(CCCSC)nn3)CC2)n1
+Absorbance,,504689,25163023,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H]([C@@H](C)CC)n3cc(CCCCN=C(N)N)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n3cc(CCCSC)nn3)CC2)n1
+Absorbance,,504689,25163050,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n3cc(C[C@@H](C)CC)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)O)n3cc(C)nn3)CC2)n1
+Absorbance,,504689,42628596,CID,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n3cc(CCCSC)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(CCO)nn3)CC2)n1
+Absorbance,,504689,44142411,CID,CN1CCN(c2cc(-c3cc(O)c4ncccc4c3)ccn2)CC1
+Absorbance,,504689,44143204,CID,O=C(c1ccc(-c2cc(O)c3ncccc3c2)cc1)N1CCNCC1
+Absorbance,,504689,44143208,CID,CN(C)CCCNC(=O)c1ccc(-c2cc(O)c3ncccc3c2)cc1
+Absorbance,,504689,54676677,CID,CCCCn1c(=O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(O)c2ccccc21
+Absorbance,,1857,3825,CID,CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1
+Absorbance,,1857,74083,CID,O=C(O)c1cccc2c1C(=O)c1ccccc1-2
+Absorbance,,1857,78723,CID,O=C(O)c1ccccc1C(=O)c1cccc2ccccc12
+Absorbance,,1857,224665,CID,NC(=O)SCC(=O)Nc1ccccc1C(=O)O
+Absorbance,,1857,279160,CID,O=P(O)(O)c1ccccc1OCc1ccccc1
+Absorbance,,1857,291752,CID,CCOC(=O)c1[nH]c(C(=O)O)c(CCC(=O)OC)c1C
+Absorbance,,1857,302501,CID,O=[N+]([O-])c1ccc(-c2ccccc2)c([As](=O)(O)O)c1
+Absorbance,,1857,417125,CID,Oc1[nH]c2ccccc2c1C=Nc1ccccc1
+Absorbance,,1857,644804,CID,COc1ccc(Cc2nnc(NS(=O)(=O)Cc3ccccc3)s2)cc1
+Absorbance,,1857,645288,CID,O=C(O)c1cc2ccc3ccccc3c2[nH]1
+Absorbance,,1857,648566,CID,CC(C)C(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
+Absorbance,,1857,648765,CID,CC1CCCC(C)N1C(=O)CSc1nnc(NC(=O)c2cccs2)s1
+Absorbance,,1857,654026,CID,CCN(CC)C(=O)CSc1nc2ccc(NC(=O)CSc3nccn3C)cc2s1
+Absorbance,,1857,655628,CID,COCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
+Absorbance,,1857,657859,CID,C=C(c1cccc2ccccc12)P(=O)(O)O
+Absorbance,,1857,660017,CID,S=c1[nH]nc(-c2ccco2)n1C1CCCCC1
+Absorbance,,1857,660524,CID,S=c1[nH]nc(-c2ccccc2)n1Cc1ccccc1
+Absorbance,,1857,660619,CID,S=c1[nH]nc(-c2ccco2)n1Cc1ccccc1
+Absorbance,,1857,660693,CID,CCCc1[nH]nc2c1C1(CCN(C(=O)OCc3ccccc3)CC1)C(C#N)=C(N)O2
+Absorbance,,1857,660813,CID,S=c1[nH]nc(-c2ccco2)n1-c1cccc2ccccc12
+Absorbance,,1857,661669,CID,COc1cc(-c2nn3c(-c4ccccc4)nnc3s2)cc(OC)c1OC
+Absorbance,,1857,662306,CID,COc1cc(-c2nn3c(-c4cccc(C)c4)nnc3s2)cc(OC)c1OC
+Absorbance,,1857,664602,CID,O=C(O)C1Sc2[nH]c(=O)sc2C2c3cc(Cl)ccc3OC(=O)C12
+Absorbance,,1857,695270,CID,Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)n1
+Absorbance,,1857,695345,CID,S=c1[nH]nc(-c2cccnc2)n1C1CCCCC1
+Absorbance,,1857,695551,CID,Oc1ccccc1-c1n[nH]c(=S)n1Cc1ccccc1
+Absorbance,,1857,724058,CID,O=C(O)C(NC(=O)c1ccccc1)=C(Cl)Cl
+Absorbance,,1857,746519,CID,O=C(O)c1ccccc1C(=O)c1ccc(Oc2ccccc2)cc1
+Absorbance,,1857,749059,CID,Cc1ccc(-c2cn3c(=S)[nH]nc3s2)cc1
+Absorbance,,1857,750688,CID,Cc1ccc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1
+Absorbance,,1857,752419,CID,CC(C)Cn1c(-c2ccccc2F)n[nH]c1=S
+Absorbance,,1857,752826,CID,Cc1ccc(-n2c(-c3nn(C)c(C)c3Cl)n[nH]c2=S)cc1
+Absorbance,,1857,752855,CID,Cc1ccc(-n2c(-c3nn(C)cc3Cl)n[nH]c2=S)cc1
+Absorbance,,1857,752859,CID,Cn1cc(Cl)c(-c2n[nH]c(=S)n2-c2ccccc2)n1
+Absorbance,,1857,755506,CID,O=C(O)c1ccccc1C(=O)c1cc(F)ccc1F
+Absorbance,,1857,764374,CID,Cc1cccc(-c2n[nH]c(=S)n2-c2ccccc2)c1[N+](=O)[O-]
+Absorbance,,1857,767260,CID,C=C(C)Cn1c(-c2cccs2)n[nH]c1=S
+Absorbance,,1857,803041,CID,Cc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)cc1
+Absorbance,,1857,822882,CID,Cc1n[nH]c(=S)n1-c1cccc(Cl)c1
+Absorbance,,1857,829349,CID,Cc1cccc(-n2c(C)n[nH]c2=S)c1C
+Absorbance,,1857,841627,CID,Cc1ccccc1-n1c(-c2ccco2)n[nH]c1=S
+Absorbance,,1857,843761,CID,CC(C)Cn1c(-c2ccco2)n[nH]c1=S
+Absorbance,,1857,843893,CID,Cc1ccsc1-c1n[nH]c(=S)n1CC(C)C
+Absorbance,,1857,844228,CID,CC(C)Oc1ccc(Cn2c(-c3ccco3)n[nH]c2=S)cc1
+Absorbance,,1857,855142,CID,CCCn1c(C(C)C)n[nH]c1=S
+Absorbance,,1857,863498,CID,Cn1c(SCC(=O)O)nc2sc3c(c2c1=O)CCC3
+Absorbance,,1857,863515,CID,COc1ccccc1-n1c(-c2ccccc2)n[nH]c1=S
+Absorbance,,1857,864561,CID,COc1ccccc1-c1n[nH]c(=S)n1Cc1ccccc1
+Absorbance,,1857,878953,CID,CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(O)cc12
+Absorbance,,1857,890597,CID,O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cccc(F)c1
+Absorbance,,1857,891188,CID,O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccco1
+Absorbance,,1857,899068,CID,CSc1nc2sc3c(c2c(=S)[nH]1)CC(C)(C)OC3
+Absorbance,,1857,902207,CID,Cc1oc2ccc(Br)cc2c(=O)c1-c1nn[nH]n1
+Absorbance,,1857,920396,CID,CCOC(=O)c1ccccc1N/C=C1\CCCCC1=O
+Absorbance,,1857,934665,CID,Cc1ccc(-c2n[nH]c(=S)n2Cc2ccccc2)cc1
+Absorbance,,1857,944813,CID,O=C(O)c1ncsc1-c1ccccc1
+Absorbance,,1857,945654,CID,CC(C)(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1
+Absorbance,,1857,973894,CID,COc1ccccc1-n1c(-c2ccco2)n[nH]c1=S
+Absorbance,,1857,998503,CID,COc1cccc(-n2c(CCn3nc(C)c([N+](=O)[O-])c3C)n[nH]c2=S)c1
+Absorbance,,1857,998799,CID,Cc1nn(CCc2n[nH]c(=S)n2-c2cccc(Cl)c2)c(C)c1[N+](=O)[O-]
+Absorbance,,1857,998946,CID,Cc1cccc(-n2c(CCn3nc(C)c([N+](=O)[O-])c3C)n[nH]c2=S)c1
+Absorbance,,1857,1043976,CID,COc1ccc2c(c1)c(=O)c(C(=O)O)c(-c1ccc3c(c1)OCO3)n2C
+Absorbance,,1857,1312855,CID,Cc1cc(OCc2cc(C(=O)O)oc2C)c2c3c(c(=O)oc2c1)CCCC3
+Absorbance,,1857,1384449,CID,Cc1cc(C)n2c(Br)c(CSc3nc4ccccc4s3)nc2n1
+Absorbance,,1857,1418929,CID,O=C(O)c1[nH]c2ccc(Br)cc2c1CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O
+Absorbance,,1857,1427313,CID,COc1ccc2[nH]c(C(=O)O)c(CCN3C(=O)c4ccc(C(=O)O)cc4C3=O)c2c1
+Absorbance,,1857,1437874,CID,CC(=O)c1ccc(-c2ccc(Cn3c(C)nc4cc(N)c(C)nc43)cc2)cc1
+Absorbance,,1857,1448423,CID,COc1cccc(-n2c(CNC(=O)OC(C)(C)C)n[nH]c2=S)c1
+Absorbance,,1857,1470434,CID,O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)NC1CCCC1
+Absorbance,,1857,1472062,CID,O=C(O)c1c(C(=O)O)c(-c2ccc(Br)cc2)n2c1CSC2
+Absorbance,,1857,1472063,CID,Cc1ccc(-c2c(C(=O)O)c(C(=O)O)c3n2CSC3)cc1
+Absorbance,,1857,1473302,CID,O=c1c(-c2n[nH]c(=S)n2-c2ccccc2)cccn1Cc1cccc(Cl)c1
+Absorbance,,1857,1474515,CID,S=c1[nH]nc(-c2ccc3ncccc3c2)n1-c1ccc2c(c1)OCCO2
+Absorbance,,1857,1481298,CID,CCn1c(-c2nn(-c3ccccc3)ccc2=O)n[nH]c1=S
+Absorbance,,1857,1481299,CID,CCn1c(-c2nn(-c3ccc(C)cc3)ccc2=O)n[nH]c1=S
+Absorbance,,1857,1482495,CID,Cn1c(-c2sccc2OCc2ccccc2)n[nH]c1=S
+Absorbance,,1857,1482496,CID,Cc1ccc(COc2ccsc2-c2n[nH]c(=S)n2C)cc1
+Absorbance,,1857,1482500,CID,Cn1c(-c2sccc2OCc2ccc(Cl)cc2Cl)n[nH]c1=S
+Absorbance,,1857,1482515,CID,Cn1c(-c2sccc2OCc2cccc(C(F)(F)F)c2)n[nH]c1=S
+Absorbance,,1857,1483473,CID,CC(C)(C)c1ccc(COc2ccsc2C(=O)O)cc1
+Absorbance,,1857,1485807,CID,Cn1cc(-c2ccccc2C(=O)O)c(=O)c2cc(Cl)ccc21
+Absorbance,,1857,1547995,CID,O=C(O)c1[nH]c2ccc(Cl)cc2c1CCN1C(=O)c2ccccc2C1=O
+Absorbance,,1857,1548422,CID,COc1ccc2[nH]c(C(=O)O)c(CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2c1
+Absorbance,,1857,1625680,CID,Cc1nc(S/C(=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C(=O)O)n[nH]1
+Absorbance,,1857,1627636,CID,NNC(=S)Nc1cccc(-c2n[nH]c(=S)o2)c1
+Absorbance,,1857,1767864,CID,CCCCn1c(-c2ccco2)n[nH]c1=S
+Absorbance,,1857,1768039,CID,CCCCn1c(-c2ccoc2C)n[nH]c1=S
+Absorbance,,1857,1768080,CID,CCCCn1c(-c2sccc2C)n[nH]c1=S
+Absorbance,,1857,1769642,CID,Cc1cc(OCC(=O)N[C@H](C(=O)O)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3
+Absorbance,,1857,1783558,CID,O=C1CCCC/C1=C/Nc1cccc(C(F)(F)F)c1
+Absorbance,,1857,1824509,CID,OCCCc1n[nH]c(=S)n1-c1ccccc1
+Absorbance,,1857,1835925,CID,COc1ccc(-c2n[nH]c(=S)n2-c2ccc3c(c2)OCCO3)cc1OC
+Absorbance,,1857,1839212,CID,S=c1[nH]nc(-c2ccn[nH]2)n1-c1ccccc1Cl
+Absorbance,,1857,1843069,CID,Oc1ccc(-c2n[nH]c(=S)n2-c2ccc3c(c2)OCCO3)c(O)c1
+Absorbance,,1857,1867009,CID,O=C(COc1ccccc1Cl)NC(=S)Nc1ccccc1N1CCCC1
+Absorbance,,1857,1867015,CID,Oc1ccc(-c2n[nH]c(=S)n2-c2ccc3c(c2)OCCO3)cc1
+Absorbance,,1857,1868051,CID,CSc1nc(SCC(=O)O)c2c3c(sc2n1)COC(C)(C)C3
+Absorbance,,1857,1901715,CID,Cc1c(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)c(=O)n(-c2ccccc2)n1C
+Absorbance,,1857,1952606,CID,COc1ccc(-c2n[nH]c(=S)n2-c2ccc3c(c2)OCCO3)cc1
+Absorbance,,1857,2055738,CID,C=CCn1c(C2CC2)n[nH]c1=S
+Absorbance,,1857,2056018,CID,Fc1ccccc1-c1n[nH]c(=S)n1Cc1ccccc1
+Absorbance,,1857,2122975,CID,O=c1c2ccccc2nnn1Cc1nnc(-c2ccccc2Br)o1
+Absorbance,,1857,2208886,CID,CC(C)(C)c1ccc(-c2n[nH]c(=S)n2CCCN2CCOCC2)cc1
+Absorbance,,1857,2215497,CID,C=CCOc1ccc2ccccc2c1CNn1c(C)n[nH]c1=S
+Absorbance,,1857,2219373,CID,CCCCn1c(-c2cccnc2)n[nH]c1=S
+Absorbance,,1857,2229949,CID,O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2sc3c(c12)CCC3
+Absorbance,,1857,2237961,CID,Cc1n[nH]c(C)c1CCCCOc1ccc([N+](=O)[O-])cc1
+Absorbance,,1857,2360761,CID,COc1ccc2c(C)cc3n[nH]c(=S)n3c2c1
+Absorbance,,1857,2366372,CID,CCCCCCn1c(-c2cccs2)n[nH]c1=S
+Absorbance,,1857,2383141,CID,S=c1[nH]nc(-c2cccs2)n1Cc1ccccc1
+Absorbance,,1857,2383729,CID,Cc1ccc(-c2csc3n[nH]c(=S)n23)cc1
+Absorbance,,1857,2398093,CID,COc1ccccc1-c1n[nH]c(=S)n1Cc1ccco1
+Absorbance,,1857,2415319,CID,O=C(O)c1ccccc1Sc1ncnc2sc3c(c12)CCC3
+Absorbance,,1857,2443264,CID,Nc1cccc2c1C(=O)N(Cc1nnc(-c3ccccc3Br)o1)C2=O
+Absorbance,,1857,2470561,CID,S=c1[nH]nc(C2CC2)n1Cc1ccco1
+Absorbance,,1857,2478591,CID,S=c1[nH]nc(C2CC2)n1Cc1ccccc1
+Absorbance,,1857,2496761,CID,Cc1cc(C(=O)OCC(=O)NC(=O)c2cccn2C)c2ccccc2n1
+Absorbance,,1857,2561818,CID,O=C(O)/C=C/c1nnc2c3ccccc3cnn12
+Absorbance,,1857,2729826,CID,O=C1C(=O)N(O)C2CCCCC2N1O
+Absorbance,,1857,2770869,CID,CC12CCC(c3c(C(=O)O)nn(-c4ccccc4)c31)C2(C)C
+Absorbance,,1857,2802177,CID,O=C(O)C(C(=O)O)=C1C2CC3CC(C2)CC1C3
+Absorbance,,1857,2813041,CID,COc1cc2c(cc1OC)C(C)N(C(=O)c1nccnc1C(=O)O)CC2
+Absorbance,,1857,2816425,CID,S=c1[nH]nc(-c2cccs2)n1C1CCCCC1
+Absorbance,,1857,2823665,CID,COCC(C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
+Absorbance,,1857,2829879,CID,O=[N+]([O-])c1ccc(C23CC4CC(CC(O)(C4)C2)C3)cc1
+Absorbance,,1857,2836605,CID,O=C(O)c1ccccc1Nc1ccc([N+](=O)[O-])c2nonc12
+Absorbance,,1857,2842220,CID,CC12CCCCC1N(O)C(=O)C(=O)N2O
+Absorbance,,1857,2878774,CID,O=C(O)C(c1ccccc1)N1C(=O)c2cccc3cccc(c23)C1=O
+Absorbance,,1857,2892437,CID,CC1CC(C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1
+Absorbance,,1857,2898516,CID,CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccc(N(C)C)cc1
+Absorbance,,1857,2906489,CID,S=c1[nH]nc(-c2ccccc2)n1C1C=CCCC1
+Absorbance,,1857,2908110,CID,O=C(NC(=S)NCC1CCCO1)c1ccccc1Br
+Absorbance,,1857,2946682,CID,Fc1ccccc1-c1n[nH]c(=S)n1CC1CCCO1
+Absorbance,,1857,2951249,CID,COc1ccc(OC)c(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)c1
+Absorbance,,1857,2951255,CID,O=C(C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccccn1)c1cccs1
+Absorbance,,1857,2952565,CID,O=C(c1ccc(Br)o1)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
+Absorbance,,1857,2981009,CID,S=c1[nH]nc(-c2ccccc2)n1CC1CCCO1
+Absorbance,,1857,2981931,CID,CCN1CCN(CC(=O)n2c3c(c4ccccc42)CC(C)CC3)CC1
+Absorbance,,1857,2985091,CID,COc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(C)CC3)n2)cc1
+Absorbance,,1857,2998057,CID,Cc1cccc(C(=O)c2ccccc2C(=O)O)c1O
+Absorbance,,1857,2998168,CID,Cc1cc(C)n2cc(CSc3nnc(-c4ccccc4)o3)nc2n1
+Absorbance,,1857,2998665,CID,O=C(CSc1nnc(-c2cccs2)n1CC1CCCO1)c1cc2ccccc2o1
+Absorbance,,1857,2999116,CID,CCOC(=O)N=S(N)(=O)c1ccc(Cl)cc1
+Absorbance,,1857,2999456,CID,CCOC(=O)N=S(N)(=O)c1ccccc1
+Absorbance,,1857,2999948,CID,Cc1cc(-c2ccco2)n2c(nc3ccccc32)c1C#N
+Absorbance,,1857,3153481,CID,Cc1ccc(C2=NN(C(=O)C3CCCO3)C(c3ccco3)C2)cc1
+Absorbance,,1857,3164038,CID,CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1
+Absorbance,,1857,3220527,CID,CCCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
+Absorbance,,1857,3220530,CID,CC(C)(C)C(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
+Absorbance,,1857,3228302,CID,CCCc1n[nH]c(=S)n1Cc1ccco1
+Absorbance,,1857,3238188,CID,Cc1ccccc1C(=O)c1cccn1CC(=O)O
+Absorbance,,1857,3239187,CID,Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1
+Absorbance,,1857,3239785,CID,O=C(O)Cn1cccc1C(=O)c1ccccc1
+Absorbance,,1857,3242434,CID,CN1CCN(Cc2cc(COCc3ccccc3)c3cccnc3c2O)CC1
+Absorbance,,1857,3244426,CID,CC(=O)NCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O
+Absorbance,,1857,3245548,CID,O=P(O)(O)c1ccccc1OCCCCCOc1ccccc1P(=O)(O)O
+Absorbance,,1857,3248551,CID,O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
+Absorbance,,1857,3262924,CID,CC(C)Sc1nc(SCC(=O)O)c2c3c(sc2n1)COC(C)(C)C3
+Absorbance,,1857,3268147,CID,O=C(CSc1ncn[nH]1)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
+Absorbance,,1857,3323022,CID,CC(NS(=O)(=O)c1ccccc1)c1n[nH]c(=S)n1-c1ccccc1
+Absorbance,,1857,3331652,CID,CCCCn1c(-c2nn(C)c(C)c2Cl)n[nH]c1=S
+Absorbance,,1857,3427057,CID,CC(NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NC(C)C(=O)O)ccc1-2)C(=O)O
+Absorbance,,1857,3430261,CID,Cc1ccsc1-c1n[nH]c(=S)n1C1CCCCC1
+Absorbance,,1857,3452092,CID,CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1
+Absorbance,,1857,3546573,CID,CC(C)(C)CC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
+Absorbance,,1857,3565281,CID,O=P(O)(O)c1ccccc1OCCOCCOCCOCCOc1ccccc1P(=O)(O)O
+Absorbance,,1857,3587816,CID,Cc1cc(OCC(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)c2c3c(c(=O)oc2c1)CCCC3
+Absorbance,,1857,3623360,CID,O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)NCc1ccccc1
+Absorbance,,1857,3647024,CID,COc1ccc(-n2c(=S)[nH]c3ccccc3c2=S)cc1
+Absorbance,,1857,3652754,CID,Cc1cc(OCC(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)c2c3c(c(=O)oc2c1)CCC3
+Absorbance,,1857,3693818,CID,O=C(CC(C(=O)O)c1cccc(Cl)c1Cl)c1ccccc1
+Absorbance,,1857,3725529,CID,CCCCc1n[nH]c(=S)n1Cc1ccc(Cl)cc1
+Absorbance,,1857,3725576,CID,CCCCc1n[nH]c(=S)n1Cc1ccc(C)cc1
+Absorbance,,1857,3729854,CID,S=c1[nH]nc(-c2ccc3ccccc3n2)n1-c1ccc2c(c1)OCCO2
+Absorbance,,1857,3771607,CID,CC1CCCCC1n1c(-c2cccnc2)n[nH]c1=S
+Absorbance,,1857,3820260,CID,Cc1cc(C)n(-c2nc(SCC(=O)O)c3c4c(sc3n2)COC(C)(C)C4)n1
+Absorbance,,1857,3938248,CID,Nc1nc(=S)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1
+Absorbance,,1857,4075803,CID,CNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+Absorbance,,1857,4077979,CID,CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(O)CNCCN(C)C)cc12
+Absorbance,,1857,4087141,CID,O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+Absorbance,,1857,4151261,CID,Cc1c(Cl)c(-c2n[nH]c(=S)n2-c2ccccc2)nn1C
+Absorbance,,1857,4187843,CID,O=C(Nc1ccc(-n2ccnc2P(=O)(O)c2ccccc2)cc1)c1ccccc1Cl
+Absorbance,,1857,4302597,CID,Cc1c(Cl)c(-c2n[nH]c(=S)n2-c2ccc(F)cc2)nn1C
+Absorbance,,1857,4387167,CID,CCC(c1n[nH]c(=S)n1-c1ccccc1)N(C)C
+Absorbance,,1857,4766021,CID,CC1=C(C(=O)O)N2C(=O)C(NC(=O)c3nn(C)cc3[N+](=O)[O-])C2SC1
+Absorbance,,1857,4841384,CID,CN(C)CCNS(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1
+Absorbance,,1857,4860066,CID,O=c1c2ccccc2cnn1Cc1n[nH]c(=S)n1C1CC2CCC1C2
+Absorbance,,1857,4870494,CID,O=c1[nH]c2c(s1)C(c1cccnc1)C1C3CCC(C3)C1S2
+Absorbance,,1857,4886931,CID,S=c1[nH]nc(Cn2c(-c3ccccn3)nc3ccccc32)n1-c1ccc2c(c1)OCCO2
+Absorbance,,1857,5050469,CID,CCCCn1c(-c2nn(C)cc2Cl)n[nH]c1=S
+Absorbance,,1857,5091579,CID,O=P(O)(O)Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1
+Absorbance,,1857,5166959,CID,O=C(C1CCCO1)N1N=C(c2ccc(Br)cc2)CC1c1ccco1
+Absorbance,,1857,5170677,CID,Cn1cc(Cl)c(-c2n[nH]c(=S)n2C2CCCCC2)n1
+Absorbance,,1857,5332075,CID,C[n+]1cccc(/C=N/Nc2nc(Cl)c(C#N)c(Cl)c2Cl)c1
+Absorbance,,1857,5336159,CID,Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(C(=O)O)cc2)cc1
+Absorbance,,1857,5389246,CID,COc1ccc(OC)c(C2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1
+Absorbance,,1857,5389251,CID,COc1ccc(OC)c(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)c1
+Absorbance,,1857,5389282,CID,COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)C2c2cc(OC)ccc2OC)cc1
+Absorbance,,1857,5389373,CID,O=C1C(=O)N(Cc2cccnc2)C(c2ccccn2)/C1=C(/O)c1ccc(F)cc1
+Absorbance,,1857,5389446,CID,O=C1C(=O)N(Cc2cccnc2)C(c2ccccn2)/C1=C(/O)c1ccccc1
+Absorbance,,1857,5529247,CID,CCN=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3C(=O)O)o2)C(=O)N1CC
+Absorbance,,1857,5636759,CID,CN(C)c1cccc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)c1
+Absorbance,,1857,5754840,CID,O=C1OC(c2ccccc2)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-]
+Absorbance,,1857,5811072,CID,O=C1C(=O)N(c2nccs2)C(c2ccccc2F)/C1=C(\O)c1ccc2c(c1)OCCO2
+Absorbance,,1857,5860199,CID,Cc1ccc(Cl)cc1N/C=C1\CCCC1=O
+Absorbance,,1857,6010066,CID,O=C1Nc2cc(C(=O)NCCCN3CCCC3)ccc2S/C1=C/c1ccccc1F
+Absorbance,,1857,6010071,CID,O=C1Nc2cc(C(=O)NCCCN3CCOCC3)ccc2S/C1=C/c1ccccc1F
+Absorbance,,1857,6014154,CID,O=C1Nc2cc(C(=O)NCCCN3CCOCC3)ccc2S/C1=C/c1cccc(Cl)c1
+Absorbance,,1857,6023195,CID,COc1ccc(/C=C2/Sc3ccc(C(=O)NCCCN4CCOCC4)cc3NC2=O)cc1OC
+Absorbance,,1857,6070887,CID,CC1=Nc2ccc(C)cc2/C1=C/c1c(N)n2nc(CC(=O)N3CCOCC3)sc2nc1=O
+Absorbance,,1857,6081455,CID,COc1cccc(/C=C2\SC(=S)N(C(C(=O)O)c3ccccc3)C2=O)c1OC
+Absorbance,,1857,6227326,CID,O=C(O)C(c1ccccc1)N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S
+Absorbance,,1857,6236321,CID,O=C(O)CC/C(=C\c1cc([N+](=O)[O-])ccc1Cl)c1nc2ccccc2s1
+Absorbance,,1857,6237804,CID,O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)NCCCn1ccnc1
+Absorbance,,1857,6264791,CID,COc1cccc(/C=C2/Sc3ccc(C(=O)NCCCN4CCCC4)cc3NC2=O)c1
+Absorbance,,1857,6484630,CID,C=CCn1c(-c2ccccc2OCC)n[nH]c1=S
+Absorbance,,1857,6492818,CID,O=C(CSc1cn[nH]n1)Nc1ccccc1C(=O)O
+Absorbance,,1857,6502653,CID,O=Cc1c(NCc2ccc(Cl)cc2)c2ccccc2[nH]c1=O
+Absorbance,,1857,6504188,CID,Cc1ccc(CNc2c(C=O)c(=O)[nH]c3ccccc23)cc1
+Absorbance,,1857,6569026,CID,Cc1c(C)c2ccc(OCC(=O)N3CCC[C@@H]3C(=O)O)c(C)c2oc1=O
+Absorbance,,1857,6569385,CID,CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@@H]3C(=O)O)ccc12
+Absorbance,,1857,6569514,CID,Cc1cc(OCC(=O)N2CCC[C@@H]2C(=O)O)c2c(C)c(C)c(=O)oc2c1
+Absorbance,,1857,6569556,CID,CCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC[C@@H]3C(=O)O)c12
+Absorbance,,1857,6569645,CID,CCCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@@H]3C(=O)O)ccc12
+Absorbance,,1857,6569799,CID,Cc1c(OCC(=O)N2CCC[C@@H]2C(=O)O)ccc2c3c(c(=O)oc12)CCC3
+Absorbance,,1857,6602969,CID,COC(=O)c1ccc(-c2ccc(C(=O)N3CCCN(C)CC3)cc2)cc1
+Absorbance,,1857,6858349,CID,CC(=C/c1ccccc1)/C=N/n1c(-c2ccco2)n[nH]c1=S
+Absorbance,,1857,6859377,CID,O=C(O)c1ccccc1/C=N/n1c(C2CCCCC2)n[nH]c1=S
+Absorbance,,1857,6860017,CID,CC(=C/c1ccccc1)/C=N/n1c(-c2ccncc2)n[nH]c1=S
+Absorbance,,1857,6861279,CID,O=C(O)COc1ccccc1/C=N/n1c(C2CCCCC2)n[nH]c1=S
+Absorbance,,1857,6863578,CID,CC(=C/c1ccccc1)/C=N/n1c(C)n[nH]c1=S
+Absorbance,,1857,6863594,CID,CCc1n[nH]c(=S)n1/N=C/C(C)=C\c1ccccc1
+Absorbance,,1857,6881403,CID,O=[N+]([O-])c1ccccc1/C=C/C=N/n1c(-c2ccccc2F)n[nH]c1=S
+Absorbance,,1857,6881583,CID,CC(/C=N/n1c(-c2ccco2)n[nH]c1=S)=C\c1ccccc1
+Absorbance,,1857,6882903,CID,COc1cc(C(=O)N/N=C/c2coc3ccccc3c2=O)cc(OC)c1OC
+Absorbance,,1857,6905027,CID,CCc1n[nH]c(=S)n1/N=C/c1ccc(NC(C)=O)cc1
+Absorbance,,1857,7190957,CID,O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)NCc1ccco1
+Absorbance,,1857,7190975,CID,Cc1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
+Absorbance,,1857,7191297,CID,O=C(CSc1nnc(NC(=O)c2ccccc2)s1)NCc1ccco1
+Absorbance,,1857,7852898,CID,COc1ccccc1C(=O)COC(=O)/C=C/c1ccccc1
+Absorbance,,1857,8016217,CID,Cc1c(C)c2c(OCC(=O)N[C@@H](C)C(=O)O)cc3c(c2oc1=O)CCC(C)(C)O3
+Absorbance,,1857,8016786,CID,CCCc1cc(=O)oc2c3c(cc(OCC(=O)N[C@@H](C)C(=O)O)c12)OC(C)(C)CC3
+Absorbance,,1857,8481773,CID,Cc1cccc(C(=O)Nc2nnc(SCC(=O)NCc3ccco3)s2)c1
+Absorbance,,1857,8481799,CID,COc1ccccc1C(=O)Nc1nnc(SCC(=O)NC2CCCC2)s1
+Absorbance,,1857,8481811,CID,COc1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
+Absorbance,,1857,8481902,CID,O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)NCc1ccco1
+Absorbance,,1857,8482110,CID,O=C(CSc1nnc(NC(=O)c2cccc(F)c2)s1)NCc1ccco1
+Absorbance,,1857,8483299,CID,O=C(CSc1nnc(NC(=O)C2CC2)s1)NCc1ccccc1Cl
+Absorbance,,1857,9117452,CID,O=C(O)C/C(=C\c1cc(Cl)c2c(c1)OCO2)c1nc2ccccc2s1
+Absorbance,,1857,9585545,CID,C[n+]1ccc(/C=N/Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc1
+Absorbance,,1857,9606483,CID,CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/C(c2ccccc2)c2ccccc2)c1
+Absorbance,,1857,9634160,CID,COc1cc(OC)c(OC)cc1/C=N/NC(=O)CC1C(=O)NN=C1C
+Absorbance,,1857,9636377,CID,COc1ccc(OC)c(/C=N/NC(=O)CC2C(=O)NN=C2C)c1
+Absorbance,,1857,9643280,CID,CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/C2CC=CCC2)c1
+Absorbance,,1857,9645220,CID,CC(/C=N/NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1
+Absorbance,,1857,9667346,CID,O=[N+]([O-])c1ccc(N2CCCC2)cc1N/N=C1\CN2CCC1CC2
+Absorbance,,1857,9690684,CID,O=[N+]([O-])c1ccccc1/C=N/n1c(C(F)(F)F)n[nH]c1=S
+Absorbance,,1857,11834391,CID,Cc1ccc(S(=O)(=O)n2[nH]c(=O)cc2NC(=O)c2cccs2)cc1
+Absorbance,,1857,11834392,CID,COc1ccc(S(=O)(=O)n2nc(OC(=O)c3cccs3)cc2NC(=O)c2cccs2)cc1
+Absorbance,,1857,11920923,CID,Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC[C@H]4C(=O)O)c12)OC(C)(C)CC3
+Absorbance,,1857,16187921,CID,Cc1cccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(CC(C)C)[nH]c(=O)n2)n1
+Absorbance,,1857,16405902,CID,CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O
+Absorbance,,1857,16406199,CID,Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@@H](Cc4ccccc4)C(=O)O)c12)OC(C)(C)CC3
+Absorbance,,1857,16406618,CID,CCCc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC[C@H]4C(=O)O)c12)OC(C)(C)CC3
+Absorbance,,1857,16406742,CID,CCCCc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC[C@H]4C(=O)O)c12)OC(C)(C)CC3
+Absorbance,,1857,16406775,CID,CSC[C@H](NC(=O)COc1cc2c(c3oc(=O)c(C)c(C)c13)CCC(C)(C)O2)C(=O)O
+Absorbance,,1857,16406859,CID,CCCc1cc(=O)oc2c3c(cc(OCC(=O)N[C@@H](CSC)C(=O)O)c12)OC(C)(C)CC3
+Absorbance,,1857,16406876,CID,Cc1c(C)c2c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc3c(c2oc1=O)CCC(C)(C)O3
+Absorbance,,1857,16406937,CID,Cc1c(C)c2c(OCC(=O)N3CCC[C@H]3C(=O)O)cc3c(c2oc1=O)CCC(C)(C)O3
+Absorbance,,1857,17575633,CID,CN(C)c1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1
+Absorbance,,1857,18561114,CID,O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)NCc1ccc(F)cc1
+Absorbance,,1857,24747651,CID,CC1=CC(=O)C(C(C)C)=C/C1=C(\c1cc(C(C)C)c(OP(=O)([O-])O)cc1C)c1ccccc1C(=O)[O-]
+Absorbance,,1857,24789620,CID,Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCCN4CCOCC4)cc3NC2=O)c1
+Absorbance,,1857,24792848,CID,CCN1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(OC)c(OC)c2)S3)CC1
+Absorbance,,1857,24792850,CID,O=C1Nc2cc(C(=O)NCCCN3CCCC3)ccc2S/C1=C\c1ccccc1
+Absorbance,,1857,24793641,CID,O=C1Nc2cc(C(=O)N3CCC(N4CCCCC4)CC3)ccc2S/C1=C\c1ccccc1
+Absorbance,,1857,24892229,CID,O=C(CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1)NC1CCCC1
+Absorbance,,1857,24892232,CID,O=C(CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1)NCC1CCCO1
+Absorbance,,1857,24892371,CID,O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)NCC1CCCO1
+Absorbance,,1857,24892372,CID,O=C(CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1)NCc1ccco1
+Absorbance,,1857,24892373,CID,O=C(CSc1nnc(NC(=O)c2cccc(F)c2)s1)NCC1CCCO1
+Absorbance,,1857,24892569,CID,O=C(CSc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1)NCC1CCCO1
+Absorbance,,1857,24892667,CID,COc1ccccc1C(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1
+Absorbance,,1857,44601849,CID,O=C(O)c1cccc(NC(=S)N/N=C/c2ccccc2OCc2cccc(Br)c2)c1
+Absorbance,,1857,45105904,CID,O=C(O)c1cccc(NC(=S)N/N=C/c2cccc(O)c2)c1
+Absorbance,,1857,56642947,CID,O=C(O)c1cccc(NC(=S)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c1
+Absorbance,,1857,135402200,CID,O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2ccccc12
+Absorbance,,1857,135444051,CID,Oc1c(Br)cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1Br
+Absorbance,,1857,135536433,CID,Cc1c(Br)c(O)c(Br)c(O)c1/C=N/n1c(-c2ccccc2)n[nH]c1=S
+Absorbance,,1857,135536561,CID,Oc1c(Br)cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)c(O)c1Br
+Absorbance,,1926,78723,CID,O=C(O)c1ccccc1C(=O)c1cccc2ccccc12
+Absorbance,,1926,224665,CID,NC(=O)SCC(=O)Nc1ccccc1C(=O)O
+Absorbance,,1926,279160,CID,O=P(O)(O)c1ccccc1OCc1ccccc1
+Absorbance,,1926,291752,CID,CCOC(=O)c1[nH]c(C(=O)O)c(CCC(=O)OC)c1C
+Absorbance,,1926,302501,CID,O=[N+]([O-])c1ccc(-c2ccccc2)c([As](=O)(O)O)c1
+Absorbance,,1926,648765,CID,CC1CCCC(C)N1C(=O)CSc1nnc(NC(=O)c2cccs2)s1
+Absorbance,,1926,654026,CID,CCN(CC)C(=O)CSc1nc2ccc(NC(=O)CSc3nccn3C)cc2s1
+Absorbance,,1926,655628,CID,COCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
+Absorbance,,1926,657859,CID,C=C(c1cccc2ccccc12)P(=O)(O)O
+Absorbance,,1926,660524,CID,S=c1[nH]nc(-c2ccccc2)n1Cc1ccccc1
+Absorbance,,1926,660619,CID,S=c1[nH]nc(-c2ccco2)n1Cc1ccccc1
+Absorbance,,1926,660813,CID,S=c1[nH]nc(-c2ccco2)n1-c1cccc2ccccc12
+Absorbance,,1926,724058,CID,O=C(O)C(NC(=O)c1ccccc1)=C(Cl)Cl
+Absorbance,,1926,752826,CID,Cc1ccc(-n2c(-c3nn(C)c(C)c3Cl)n[nH]c2=S)cc1
+Absorbance,,1926,767260,CID,C=C(C)Cn1c(-c2cccs2)n[nH]c1=S
+Absorbance,,1926,829349,CID,Cc1cccc(-n2c(C)n[nH]c2=S)c1C
+Absorbance,,1926,843761,CID,CC(C)Cn1c(-c2ccco2)n[nH]c1=S
+Absorbance,,1926,855142,CID,CCCn1c(C(C)C)n[nH]c1=S
+Absorbance,,1926,945654,CID,CC(C)(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1
+Absorbance,,1926,973894,CID,COc1ccccc1-n1c(-c2ccco2)n[nH]c1=S
+Absorbance,,1926,998799,CID,Cc1nn(CCc2n[nH]c(=S)n2-c2cccc(Cl)c2)c(C)c1[N+](=O)[O-]
+Absorbance,,1926,1312855,CID,Cc1cc(OCc2cc(C(=O)O)oc2C)c2c3c(c(=O)oc2c1)CCCC3
+Absorbance,,1926,1418929,CID,O=C(O)c1[nH]c2ccc(Br)cc2c1CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O
+Absorbance,,1926,1427313,CID,COc1ccc2[nH]c(C(=O)O)c(CCN3C(=O)c4ccc(C(=O)O)cc4C3=O)c2c1
+Absorbance,,1926,1437874,CID,CC(=O)c1ccc(-c2ccc(Cn3c(C)nc4cc(N)c(C)nc43)cc2)cc1
+Absorbance,,1926,1448423,CID,COc1cccc(-n2c(CNC(=O)OC(C)(C)C)n[nH]c2=S)c1
+Absorbance,,1926,1472062,CID,O=C(O)c1c(C(=O)O)c(-c2ccc(Br)cc2)n2c1CSC2
+Absorbance,,1926,1472063,CID,Cc1ccc(-c2c(C(=O)O)c(C(=O)O)c3n2CSC3)cc1
+Absorbance,,1926,1481298,CID,CCn1c(-c2nn(-c3ccccc3)ccc2=O)n[nH]c1=S
+Absorbance,,1926,1482495,CID,Cn1c(-c2sccc2OCc2ccccc2)n[nH]c1=S
+Absorbance,,1926,1482500,CID,Cn1c(-c2sccc2OCc2ccc(Cl)cc2Cl)n[nH]c1=S
+Absorbance,,1926,1483473,CID,CC(C)(C)c1ccc(COc2ccsc2C(=O)O)cc1
+Absorbance,,1926,1547995,CID,O=C(O)c1[nH]c2ccc(Cl)cc2c1CCN1C(=O)c2ccccc2C1=O
+Absorbance,,1926,1768039,CID,CCCCn1c(-c2ccoc2C)n[nH]c1=S
+Absorbance,,1926,1768080,CID,CCCCn1c(-c2sccc2C)n[nH]c1=S
+Absorbance,,1926,1835925,CID,COc1ccc(-c2n[nH]c(=S)n2-c2ccc3c(c2)OCCO3)cc1OC
+Absorbance,,1926,1868051,CID,CSc1nc(SCC(=O)O)c2c3c(sc2n1)COC(C)(C)C3
+Absorbance,,1926,2055738,CID,C=CCn1c(C2CC2)n[nH]c1=S
+Absorbance,,1926,2056018,CID,Fc1ccccc1-c1n[nH]c(=S)n1Cc1ccccc1
+Absorbance,,1926,2208886,CID,CC(C)(C)c1ccc(-c2n[nH]c(=S)n2CCCN2CCOCC2)cc1
+Absorbance,,1926,2229949,CID,O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2sc3c(c12)CCC3
+Absorbance,,1926,2237961,CID,Cc1n[nH]c(C)c1CCCCOc1ccc([N+](=O)[O-])cc1
+Absorbance,,1926,2383141,CID,S=c1[nH]nc(-c2cccs2)n1Cc1ccccc1
+Absorbance,,1926,2398093,CID,COc1ccccc1-c1n[nH]c(=S)n1Cc1ccco1
+Absorbance,,1926,2415319,CID,O=C(O)c1ccccc1Sc1ncnc2sc3c(c12)CCC3
+Absorbance,,1926,2470561,CID,S=c1[nH]nc(C2CC2)n1Cc1ccco1
+Absorbance,,1926,2478591,CID,S=c1[nH]nc(C2CC2)n1Cc1ccccc1
+Absorbance,,1926,2496761,CID,Cc1cc(C(=O)OCC(=O)NC(=O)c2cccn2C)c2ccccc2n1
+Absorbance,,1926,2561818,CID,O=C(O)/C=C/c1nnc2c3ccccc3cnn12
+Absorbance,,1926,2813041,CID,COc1cc2c(cc1OC)C(C)N(C(=O)c1nccnc1C(=O)O)CC2
+Absorbance,,1926,2816425,CID,S=c1[nH]nc(-c2cccs2)n1C1CCCCC1
+Absorbance,,1926,2823665,CID,COCC(C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
+Absorbance,,1926,2906489,CID,S=c1[nH]nc(-c2ccccc2)n1C1C=CCCC1
+Absorbance,,1926,2951249,CID,COc1ccc(OC)c(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)c1
+Absorbance,,1926,2951255,CID,O=C(C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccccn1)c1cccs1
+Absorbance,,1926,2981009,CID,S=c1[nH]nc(-c2ccccc2)n1CC1CCCO1
+Absorbance,,1926,2999456,CID,CCOC(=O)N=S(N)(=O)c1ccccc1
+Absorbance,,1926,3220527,CID,CCCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
+Absorbance,,1926,3220530,CID,CC(C)(C)C(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
+Absorbance,,1926,3239187,CID,Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1
+Absorbance,,1926,3239785,CID,O=C(O)Cn1cccc1C(=O)c1ccccc1
+Absorbance,,1926,3245548,CID,O=P(O)(O)c1ccccc1OCCCCCOc1ccccc1P(=O)(O)O
+Absorbance,,1926,3248551,CID,O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
+Absorbance,,1926,3331652,CID,CCCCn1c(-c2nn(C)c(C)c2Cl)n[nH]c1=S
+Absorbance,,1926,3546573,CID,CC(C)(C)CC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
+Absorbance,,1926,3623360,CID,O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)NCc1ccccc1
+Absorbance,,1926,3729854,CID,S=c1[nH]nc(-c2ccc3ccccc3n2)n1-c1ccc2c(c1)OCCO2
+Absorbance,,1926,3771607,CID,CC1CCCCC1n1c(-c2cccnc2)n[nH]c1=S
+Absorbance,,1926,3820260,CID,Cc1cc(C)n(-c2nc(SCC(=O)O)c3c4c(sc3n2)COC(C)(C)C4)n1
+Absorbance,,1926,4302597,CID,Cc1c(Cl)c(-c2n[nH]c(=S)n2-c2ccc(F)cc2)nn1C
+Absorbance,,1926,4766021,CID,CC1=C(C(=O)O)N2C(=O)C(NC(=O)c3nn(C)cc3[N+](=O)[O-])C2SC1
+Absorbance,,1926,4860066,CID,O=c1c2ccccc2cnn1Cc1n[nH]c(=S)n1C1CC2CCC1C2
+Absorbance,,1926,4870494,CID,O=c1[nH]c2c(s1)C(c1cccnc1)C1C3CCC(C3)C1S2
+Absorbance,,1926,4886931,CID,S=c1[nH]nc(Cn2c(-c3ccccn3)nc3ccccc32)n1-c1ccc2c(c1)OCCO2
+Absorbance,,1926,5050469,CID,CCCCn1c(-c2nn(C)cc2Cl)n[nH]c1=S
+Absorbance,,1926,5389282,CID,COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)C2c2cc(OC)ccc2OC)cc1
+Absorbance,,1926,5389373,CID,O=C1C(=O)N(Cc2cccnc2)C(c2ccccn2)/C1=C(/O)c1ccc(F)cc1
+Absorbance,,1926,5389446,CID,O=C1C(=O)N(Cc2cccnc2)C(c2ccccn2)/C1=C(/O)c1ccccc1
+Absorbance,,1926,6236321,CID,O=C(O)CC/C(=C\c1cc([N+](=O)[O-])ccc1Cl)c1nc2ccccc2s1
+Absorbance,,1926,6237804,CID,O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)NCCCn1ccnc1
+Absorbance,,1926,6502653,CID,O=Cc1c(NCc2ccc(Cl)cc2)c2ccccc2[nH]c1=O
+Absorbance,,1926,6569026,CID,Cc1c(C)c2ccc(OCC(=O)N3CCC[C@@H]3C(=O)O)c(C)c2oc1=O
+Absorbance,,1926,6569385,CID,CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@@H]3C(=O)O)ccc12
+Absorbance,,1926,6569514,CID,Cc1cc(OCC(=O)N2CCC[C@@H]2C(=O)O)c2c(C)c(C)c(=O)oc2c1
+Absorbance,,1926,6569799,CID,Cc1c(OCC(=O)N2CCC[C@@H]2C(=O)O)ccc2c3c(c(=O)oc12)CCC3
+Absorbance,,1926,6860017,CID,CC(=C/c1ccccc1)/C=N/n1c(-c2ccncc2)n[nH]c1=S
+Absorbance,,1926,6861279,CID,O=C(O)COc1ccccc1/C=N/n1c(C2CCCCC2)n[nH]c1=S
+Absorbance,,1926,6863578,CID,CC(=C/c1ccccc1)/C=N/n1c(C)n[nH]c1=S
+Absorbance,,1926,6863594,CID,CCc1n[nH]c(=S)n1/N=C/C(C)=C\c1ccccc1
+Absorbance,,1926,6881403,CID,O=[N+]([O-])c1ccccc1/C=C/C=N/n1c(-c2ccccc2F)n[nH]c1=S
+Absorbance,,1926,6905027,CID,CCc1n[nH]c(=S)n1/N=C/c1ccc(NC(C)=O)cc1
+Absorbance,,1926,7190957,CID,O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)NCc1ccco1
+Absorbance,,1926,7190975,CID,Cc1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
+Absorbance,,1926,7191297,CID,O=C(CSc1nnc(NC(=O)c2ccccc2)s1)NCc1ccco1
+Absorbance,,1926,8016217,CID,Cc1c(C)c2c(OCC(=O)N[C@@H](C)C(=O)O)cc3c(c2oc1=O)CCC(C)(C)O3
+Absorbance,,1926,8016786,CID,CCCc1cc(=O)oc2c3c(cc(OCC(=O)N[C@@H](C)C(=O)O)c12)OC(C)(C)CC3
+Absorbance,,1926,8481811,CID,COc1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
+Absorbance,,1926,8482110,CID,O=C(CSc1nnc(NC(=O)c2cccc(F)c2)s1)NCc1ccco1
+Absorbance,,1926,8483299,CID,O=C(CSc1nnc(NC(=O)C2CC2)s1)NCc1ccccc1Cl
+Absorbance,,1926,9634160,CID,COc1cc(OC)c(OC)cc1/C=N/NC(=O)CC1C(=O)NN=C1C
+Absorbance,,1926,9636377,CID,COc1ccc(OC)c(/C=N/NC(=O)CC2C(=O)NN=C2C)c1
+Absorbance,,1926,9643280,CID,CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/C2CC=CCC2)c1
+Absorbance,,1926,9690684,CID,O=[N+]([O-])c1ccccc1/C=N/n1c(C(F)(F)F)n[nH]c1=S
+Absorbance,,1926,11834391,CID,Cc1ccc(S(=O)(=O)n2[nH]c(=O)cc2NC(=O)c2cccs2)cc1
+Absorbance,,1926,11920923,CID,Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC[C@H]4C(=O)O)c12)OC(C)(C)CC3
+Absorbance,,1926,16187921,CID,Cc1cccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(CC(C)C)[nH]c(=O)n2)n1
+Absorbance,,1926,16406199,CID,Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@@H](Cc4ccccc4)C(=O)O)c12)OC(C)(C)CC3
+Absorbance,,1926,16406618,CID,CCCc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC[C@H]4C(=O)O)c12)OC(C)(C)CC3
+Absorbance,,1926,16406742,CID,CCCCc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC[C@H]4C(=O)O)c12)OC(C)(C)CC3
+Absorbance,,1926,16406775,CID,CSC[C@H](NC(=O)COc1cc2c(c3oc(=O)c(C)c(C)c13)CCC(C)(C)O2)C(=O)O
+Absorbance,,1926,16406937,CID,Cc1c(C)c2c(OCC(=O)N3CCC[C@H]3C(=O)O)cc3c(c2oc1=O)CCC(C)(C)O3
+Absorbance,,1926,18561114,CID,O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)NCc1ccc(F)cc1
+Absorbance,,1926,24793641,CID,O=C1Nc2cc(C(=O)N3CCC(N4CCCCC4)CC3)ccc2S/C1=C\c1ccccc1
+Absorbance,,1926,24892372,CID,O=C(CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1)NCc1ccco1
+Absorbance,,1926,24892569,CID,O=C(CSc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1)NCC1CCCO1
+Absorbance,,1926,44601849,CID,O=C(O)c1cccc(NC(=S)N/N=C/c2ccccc2OCc2cccc(Br)c2)c1
+Absorbance,,1926,56642947,CID,O=C(O)c1cccc(NC(=S)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c1
+Absorbance,,1926,135444051,CID,Oc1c(Br)cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1Br
+Absorbance,,1730,2396,CID,CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
+Absorbance,,1730,5004,CID,O=C1c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21
+Absorbance,,1730,6706,CID,CNc1cccc2c1C(=O)c1ccccc1C2=O
+Absorbance,,1730,338839,CID,COc1ccc(N=C2C(=Nc3ccc(OC)cc3)N(c3ccc(OC)cc3)C(=S)N2C)cc1
+Absorbance,,1730,657699,CID,N#CC(C#N)=c1ccc2c(c1)N1C3=C(CCCC3)CC3CCCCC31N=2
+Absorbance,,1730,1328059,CID,CN(C)c1ccc(Nc2c3c4c(cccc4n(C)c2=O)C(=O)c2ccccc2-3)cc1
+Absorbance,,1730,1895486,CID,CC1(C)OC(c2ccccc2)=C/C(=C/C=C2C(=O)c3ccccc3C2=O)O1
+Absorbance,,1730,2890949,CID,O=C1c2ccccc2C(=O)c2c1cccc2N1CCCC1
+Absorbance,,1730,3124665,CID,CCCN1C(=O)/C(=C2/C=Cc3ccccc3N2CC)SC1=S
+Absorbance,,1730,5720241,CID,CC(/C=C/c1ccccc1)=N\Nc1ccccc1[N+](=O)[O-]
+Absorbance,,632,66541,CID,Cn1ncnc2c(=O)n(C)c(=O)nc1-2
+Absorbance,,632,212817,CID,Nc1nc(N)nc(-c2ccccn2)n1
+Absorbance,,632,314836,CID,c1ccc(-c2n[nH]c(-c3ccccn3)n2)nc1
+Absorbance,,632,315109,CID,c1ccc(-c2nnc(-c3ccccn3)nn2)nc1
+Absorbance,,632,460747,CID,Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1
+Absorbance,,632,460748,CID,Cn1nc(-c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2
+Absorbance,,632,647501,CID,CCn1nc(-c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2
+Absorbance,,632,649248,CID,O=C(NCCCn1ccnc1)Nc1ccc(Cl)c(Cl)c1
+Absorbance,,632,650249,CID,O=C(CN1CC(=O)Oc2ccccc21)OCC(=O)c1ccccc1
+Absorbance,,632,653297,CID,CCn1nc(-c2cccs2)nc2c(=O)n(C)c(=O)nc1-2
+Absorbance,,632,653461,CID,Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3ccccn3)s2)cc1
+Absorbance,,632,658612,CID,OCc1ccnc2c(O)cccc12
+Absorbance,,632,659780,CID,O=c1c2[nH]c3ccc(Br)cc3c2ncn1CCCn1ccnc1
+Absorbance,,632,660442,CID,CN1CCc2c(sc3c2C(=O)NC(c2ccccn2)N3)C1
+Absorbance,,632,662985,CID,Brc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)o1
+Absorbance,,632,900591,CID,Cc1ccc(Nc2nc(N)nc(CN3CCCCCC3)n2)c(C)c1
+Absorbance,,632,900596,CID,Cc1ccc(Nc2nc(N)nc(CN3CCCCCC3)n2)cc1
+Absorbance,,632,973130,CID,COC(=O)Cc1cc(=O)n(-c2nc3ccccc3[nH]2)[nH]1
+Absorbance,,632,975656,CID,O=C(CSc1cccc2cccnc12)N1CCCC1
+Absorbance,,632,1517499,CID,O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ncn[nH]1
+Absorbance,,632,2064335,CID,CCOC(=O)c1c(NC(=O)CSc2nnc(Cc3csc(N)n3)n2C)sc(C)c1C
+Absorbance,,632,2082094,CID,O=S(=O)(Nc1cccc2ncccc12)c1cccs1
+Absorbance,,632,2101786,CID,CCN(CC)C(=O)c1sc2nc(-c3ccccn3)[nH]c(=O)c2c1C
+Absorbance,,632,2217917,CID,CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CN1CCOCC1
+Absorbance,,632,2594234,CID,Cn1cccc1C(=O)Nc1nc(-c2ccccn2)cs1
+Absorbance,,632,2660503,CID,O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
+Absorbance,,632,2912605,CID,CCOc1ccc(C(=O)CCNC(Cc2cnc[nH]2)C(=O)O)cc1
+Absorbance,,632,2932800,CID,O=C(NCCCn1ccnc1)Nc1cccc(Cl)c1
+Absorbance,,632,2972189,CID,Cc1ccc(NC(=O)CCCCCC2NC(=O)NC2C)cc1
+Absorbance,,632,2974150,CID,CC1NC(=O)NC1CCCCCC(=O)NCCc1ccccc1
+Absorbance,,632,2998536,CID,Cc1ccc(S(=O)(=O)NC(=O)c2cc(C)n(CCCn3ccnc3)c2C)cc1
+Absorbance,,632,2999043,CID,Oc1c(C(c2ccccn2)N2CCOCC2)ccc2cccnc12
+Absorbance,,632,3164059,CID,CCCc1nc2c(=O)n(C)c(=O)nc-2n(C)n1
+Absorbance,,632,3235971,CID,Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCc2ccccn2)o1
+Absorbance,,632,3239618,CID,CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc2ccccc2[nH]1
+Absorbance,,632,3242434,CID,CN1CCN(Cc2cc(COCc3ccccc3)c3cccnc3c2O)CC1
+Absorbance,,632,3242810,CID,Oc1c(CN2CCOCC2)cc(COCc2ccccc2)c2cccnc12
+Absorbance,,632,3245927,CID,CCCCNC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
+Absorbance,,632,4123400,CID,O=C(CN1C(=O)CCC1=O)Nc1nc(-c2ccccn2)cs1
+Absorbance,,632,6458554,CID,Cn1nc(Cc2ccccc2)nc2c(=O)n(C)c(=O)nc1-2
+Absorbance,,632,9568070,CID,Cc1c(/N=C/c2ccco2)n(Cc2ccccc2)c2ccccc12
+Absorbance,,632,135414699,CID,CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(C)cc(=O)[nH]1
+Absorbance,,632,135447992,CID,Cc1cc(C)n(-c2nnc(C)c(=O)[nH]2)n1
+Absorbance,,435026,2015,CID,O=c1c2ccccc2[nH]c2ccccc12
+Absorbance,,435026,99383,CID,COc1c2ccccc2nc2ccccc12
+Absorbance,,435026,145758,CID,OCCNc1c2ccccc2nc2ccccc12
+Absorbance,,435026,148769,CID,CC(=O)Oc1cc2oc(=O)cc(C)c2cc1OC(C)=O
+Absorbance,,435026,153434,CID,O=C(O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
+Absorbance,,435026,170221,CID,CCn1c(O)c(C=Nc2ccccc2)sc1=S
+Absorbance,,435026,265711,CID,Cc1ccc(-c2oc3ccccc3c(=O)c2O)cc1
+Absorbance,,435026,323337,CID,Cn1c(=O)[nH]c2c(nc(-c3ccc(Cl)cc3)n2C)c1=O
+Absorbance,,435026,387801,CID,CC1C2(C)OC(=N)C(C#N)(C(C)O2)C1(C#N)C#N
+Absorbance,,435026,606114,CID,CCCc1c2ccccc2nc2ccccc12
+Absorbance,,435026,606422,CID,CC(=O)c1ccc(-c2cccs2)s1
+Absorbance,,435026,607870,CID,CCOC(=O)CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
+Absorbance,,435026,618848,CID,O=c1c2ccccc2sc2ccc(Cl)cc12
+Absorbance,,435026,644393,CID,Cc1ccc2nc(N3CCN(Cc4nnnn4Cc4ccccc4)CC3)c(C#N)cc2c1
+Absorbance,,435026,645132,CID,Cc1ccc2cc(C#N)c(N3CCCC3)nc2c1C
+Absorbance,,435026,645559,CID,Cc1cccc2cc(C#N)c(NCCCn3ccnc3)nc12
+Absorbance,,435026,646289,CID,COc1cc(C(=O)N2CCCN(c3nc4cc(C)ccc4cc3C#N)CC2)cc(OC)c1OC
+Absorbance,,435026,646860,CID,CN(C)CCCn1c(N)c(C#N)c2nc(C#N)c(C#N)nc21
+Absorbance,,435026,648434,CID,Cc1ccc2cc(C#N)c(NCCNC(=O)C3CC3)nc2c1C
+Absorbance,,435026,648602,CID,Cc1ccc2nc(N3CCN(C(=O)c4cccs4)CC3)c(C#N)cc2c1
+Absorbance,,435026,648675,CID,Cc1ccc(C)c2nc(N3CCCC3)c(C#N)cc12
+Absorbance,,435026,650010,CID,Cc1cc(NCCN(C)C)n2nc(-c3cccs3)cc2n1
+Absorbance,,435026,650713,CID,COc1cc(C2C3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C
+Absorbance,,435026,651489,CID,COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccc(C)n1
+Absorbance,,435026,654217,CID,Cc1ccc2cc(C#N)c(NCCNC(=O)C3CCC3)nc2c1C
+Absorbance,,435026,654285,CID,N#Cc1cc2cc3c(cc2nc1N1CCOCC1)OCO3
+Absorbance,,435026,656052,CID,Cc1ccc2cc(C#N)c(N3CCCN(C(=O)C4CCCO4)CC3)nc2c1
+Absorbance,,435026,657476,CID,COC(=O)c1n[nH]c2ccccc12
+Absorbance,,435026,657504,CID,CNC(=O)c1cc2c(ccc3ccccc32)oc1=N
+Absorbance,,435026,658010,CID,CN1Cc2c(N3CCOCC3)nc(SCc3ccccc3)c(C#N)c2CC1(C)C
+Absorbance,,435026,658239,CID,COc1cc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc2c1OCO2
+Absorbance,,435026,658328,CID,N#Cc1c(N)n(CCSc2ccccc2)c2nc3ccccc3nc12
+Absorbance,,435026,659547,CID,COCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12
+Absorbance,,435026,659906,CID,N#Cc1c(N)n(CCOC(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc12
+Absorbance,,435026,660107,CID,CCOC(=O)c1c(N)n(CCCOC(=O)c2ccco2)c2nc3ccccc3nc12
+Absorbance,,435026,660190,CID,CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)C1c1cccc(OC)c1OC
+Absorbance,,435026,660238,CID,CCN1CCC2(CC1)C(C#N)=C(N)Oc1c2sc2nc(C)cc(C)c12
+Absorbance,,435026,660498,CID,COCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12
+Absorbance,,435026,660685,CID,COCCCn1c(N)c(C(=O)OC(C)COC)c2nc3ccccc3nc21
+Absorbance,,435026,660785,CID,CC(C)OC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
+Absorbance,,435026,660819,CID,C=CCN(CC=C)c1nc2ccccc2nc1C(C#N)C(=O)OCCOC
+Absorbance,,435026,661875,CID,Cc1cc2c(c(=O)n1Cc1cccnc1)C(Cc1ccccc1)C(C#N)=C(N)O2
+Absorbance,,435026,662561,CID,COCCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21
+Absorbance,,435026,662818,CID,Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1CC1CCCO1
+Absorbance,,435026,662908,CID,COCCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc21
+Absorbance,,435026,663318,CID,CC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1
+Absorbance,,435026,663493,CID,CCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3cccc(C)c3nc21
+Absorbance,,435026,663792,CID,CCOCCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3cccc(C)c3nc21
+Absorbance,,435026,663834,CID,CCn1nc(NC(=O)c2ccncc2)c2cc3ccc(C)cc3nc21
+Absorbance,,435026,664030,CID,CCOC(=O)c1c(N)n(CCOC(=O)c2cccs2)c2nc3ccccc3nc12
+Absorbance,,435026,664162,CID,COc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)c(OC)c1
+Absorbance,,435026,664210,CID,COc1ccc(CCn2c(=N)c(C(=O)NCc3ccco3)cc3c(=O)n4cccc(C)c4nc32)cc1
+Absorbance,,435026,664437,CID,C=CCn1c(N)c(C(=O)OC(C)CC)c2nc3ccccc3nc21
+Absorbance,,435026,664499,CID,COc1ccc(-c2ccc(-c3noc(-c4ccccc4C)n3)c(OC)n2)cc1
+Absorbance,,435026,665268,CID,CCn1nc(NC(=O)c2ccccn2)c2cc3cccc(C)c3nc21
+Absorbance,,435026,665288,CID,OCCN1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1
+Absorbance,,435026,665669,CID,COCCn1c(=NC(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3cccc(C)c3nc21
+Absorbance,,435026,666811,CID,Cc1cc(C)c2c(n1)nn1c(NCCCN(C)C)cc(C)nc21
+Absorbance,,435026,666878,CID,Cc1cc2c(c(=O)n1CC1CCCO1)C(c1ccco1)C(C#N)=C(N)O2
+Absorbance,,435026,667155,CID,Cc1ccc(N2C(=O)NC(=O)C3(Cc4ccccc4N4CCCC43)C2=O)cc1
+Absorbance,,435026,668109,CID,N#Cc1c(N)nc2c(c1-c1ccccc1)CCC2
+Absorbance,,435026,679749,CID,COc1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
+Absorbance,,435026,684194,CID,N#Cc1c(N)nc2c(c1-c1ccc(F)cc1)CCC2
+Absorbance,,435026,694212,CID,CSc1nc(-c2ccc(N(C)C)cc2)c(C#N)c(=O)n1C
+Absorbance,,435026,697577,CID,CC(C)Cc1nnc(NC(=O)Cc2cccs2)s1
+Absorbance,,435026,697625,CID,Nc1c(C=C2C=CC(=O)C=C2)c(=O)nc2scc(-c3ccccc3)n12
+Absorbance,,435026,764034,CID,CCOC(=O)/C(C#N)=C/c1ccc(N2CCN(C)CC2)cc1
+Absorbance,,435026,781584,CID,COc1cc2cc(C(N)=O)c(N)nc2cc1OC
+Absorbance,,435026,794068,CID,Cc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)s1
+Absorbance,,435026,796420,CID,Oc1ccc(N=Cc2ccc(-c3cccs3)s2)cc1
+Absorbance,,435026,798423,CID,CC(C)NC(=O)/C(C#N)=C/c1ccc(N(C)C)o1
+Absorbance,,435026,800517,CID,Cc1ccc2nc(NCC(=O)O)nc(-c3ccccc3)c2c1
+Absorbance,,435026,821135,CID,CCOn1c(=O)c(-c2cccs2)[n+]([O-])c2ccccc21
+Absorbance,,435026,839237,CID,N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)N1CCOCC1
+Absorbance,,435026,839240,CID,N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)N1CCOCC1
+Absorbance,,435026,856333,CID,COc1ccccc1-c1c(C#N)c(N)nc2c1CCc1ccccc1-2
+Absorbance,,435026,865268,CID,Cc1cc(C)c2nc(N3CCOCC3)c(C#N)cc2c1
+Absorbance,,435026,866572,CID,CN1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3s2)CC1
+Absorbance,,435026,929418,CID,N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NC1CCCCC1
+Absorbance,,435026,931268,CID,CC(=O)c1sc2nc(C)c3c(c2c1N)CCCC3
+Absorbance,,435026,936498,CID,O=C(c1ccco1)c1cc2c(ccc3ccccc32)oc1=O
+Absorbance,,435026,942039,CID,CSc1nc(NCC(C)C)c2c3c(sc2n1)CN(C)CC3
+Absorbance,,435026,946759,CID,Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(Oc3ccccc3)nc12
+Absorbance,,435026,974361,CID,Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc2nsnc12
+Absorbance,,435026,974686,CID,COc1ccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)cc1
+Absorbance,,435026,1044643,CID,CC(C)c1[nH]nc2c1C1(CCN(Cc3ccccc3)CC1)C(C#N)=C(N)O2
+Absorbance,,435026,1050959,CID,COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1cccc(O)c1
+Absorbance,,435026,1073796,CID,COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccc(C(F)(F)F)cc1
+Absorbance,,435026,1094429,CID,COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1ccc(F)cc1
+Absorbance,,435026,1094572,CID,COC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OC)C1c1cccc(F)c1
+Absorbance,,435026,1094686,CID,COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1ccccc1F
+Absorbance,,435026,1158246,CID,COC(=O)C1=CN(Cc2cccs2)C=C(C(=O)OC)C1c1ccc(OC)cc1OC
+Absorbance,,435026,1166055,CID,CCOc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(OCC)cc1NC(=O)C(C)C
+Absorbance,,435026,1212575,CID,COc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3cn(C)nc3C)C3=C2CC(C)(C)CC3=O)cc1
+Absorbance,,435026,1215260,CID,Oc1c(C=Nc2ccccc2)sc(=S)n1Cc1ccccc1
+Absorbance,,435026,1242616,CID,COC(=O)Cc1c(C)c2cc(Cl)c(OC(=O)c3ccco3)cc2oc1=O
+Absorbance,,435026,1245644,CID,O=C(c1cc2ccccc2oc1=O)N1CCN(CCc2ccccc2)CC1
+Absorbance,,435026,1249448,CID,O=C(Nc1cccc(Cl)c1)c1cc2c(=O)n3ccccc3nc2s1
+Absorbance,,435026,1265083,CID,Nc1nc2nc(-c3ccc(OCc4ccccc4)cc3)cc(C(F)(F)F)n2n1
+Absorbance,,435026,1276569,CID,Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccn1
+Absorbance,,435026,1284208,CID,CC(C)c1cc(N2CCN(C(=O)c3ccco3)CC2)n2c(nc3ccccc32)c1C#N
+Absorbance,,435026,1305519,CID,COC(=O)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2
+Absorbance,,435026,1326179,CID,CCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(Br)c2)C2=C1CCCC2=O
+Absorbance,,435026,1336676,CID,COC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OC)C1c1cc(F)ccc1F
+Absorbance,,435026,1348924,CID,CCC(=O)Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1Cc1ccccc1
+Absorbance,,435026,1363031,CID,N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)NCc1ccccc1
+Absorbance,,435026,1393058,CID,Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C3CCCCC3)c2=N)cc1
+Absorbance,,435026,1394573,CID,Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)cc1
+Absorbance,,435026,1423418,CID,CCCn1nc(NC(=O)CC(C)C)c2cc3cccc(C)c3nc21
+Absorbance,,435026,1434708,CID,COc1cc(OC)cc(-c2cc3nc(C)cc(N4CCN(C(=O)c5ccco5)CC4)n3n2)c1
+Absorbance,,435026,1441409,CID,Cc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCC5(CC4)OCCO5)n3n2)cc1
+Absorbance,,435026,1451680,CID,Cc1ccc(S(=O)(=O)N2CCCN(c3nc4cc(C)ccc4cc3C#N)CC2)cc1
+Absorbance,,435026,1451687,CID,Cc1ccc2cc(C#N)c(N3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2c1
+Absorbance,,435026,1454259,CID,Cc1ccc2nc(N3CCN(C(=O)c4ccc(F)cc4)CC3)c(C#N)cc2c1
+Absorbance,,435026,1477169,CID,CN(C)c1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
+Absorbance,,435026,1477171,CID,CCN(CC)c1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
+Absorbance,,435026,1479381,CID,CC(C)SCC(=O)Nc1ncc2c(n1)-c1ccccc1CC2
+Absorbance,,435026,1480646,CID,COc1cccc(-c2cc(C(F)(F)F)n3ncc(S(=O)(=O)c4ccccc4)c3n2)c1
+Absorbance,,435026,1511413,CID,c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
+Absorbance,,435026,1553158,CID,CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1c(C)n(C)n(-c2ccccc2)c1=O
+Absorbance,,435026,1564382,CID,CCCCn1c(NC(=O)c2ccc(Br)o2)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21
+Absorbance,,435026,1635266,CID,CCn1nc(NC(=O)Cc2ccc(OC)cc2)c2cc3cccc(C)c3nc21
+Absorbance,,435026,1766037,CID,CCn1ncc(/C=C2\CCC/C(=C\c3cnn(CC)c3C)C2=O)c1C
+Absorbance,,435026,1820382,CID,CCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
+Absorbance,,435026,1830672,CID,CCN1CCc2c(sc(N)c2C#N)C1
+Absorbance,,435026,1836734,CID,Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)cc1
+Absorbance,,435026,1840318,CID,COCCNC(=O)/C(C#N)=C/c1c(N2CCN(c3ccccc3)CC2)nc2c(C)cccn2c1=O
+Absorbance,,435026,1842588,CID,N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)NCCc1c[nH]c2ccccc12
+Absorbance,,435026,1847020,CID,CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)N=C1c1ccccc1
+Absorbance,,435026,1867868,CID,Cc1ccc(-n2c(O)c(C=Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)cc1C
+Absorbance,,435026,1888166,CID,CCOC(=O)c1c(N)n(CCN2CCCCC2)c2nc3ccccc3nc12
+Absorbance,,435026,1893291,CID,C=CCNc1sc(C(=O)c2ccc(Br)s2)c(N)c1C#N
+Absorbance,,435026,1911918,CID,COc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1OC
+Absorbance,,435026,1911927,CID,Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2
+Absorbance,,435026,1912468,CID,CCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12
+Absorbance,,435026,1917167,CID,COc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCN(C)C4)cc1
+Absorbance,,435026,1921160,CID,N#Cc1c(N)n(CCNC(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc12
+Absorbance,,435026,1922043,CID,CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccccc2)o1
+Absorbance,,435026,1922517,CID,COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)o2)cc1
+Absorbance,,435026,1927137,CID,N#Cc1c(N)n(CCNC(=O)Nc2ccccc2)c2nc3ccccc3nc12
+Absorbance,,435026,1927286,CID,COc1ccc(C(=O)/C=C/Nc2cccc(C)n2)cc1OC
+Absorbance,,435026,1932059,CID,NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(Cc1ccccc1)C3
+Absorbance,,435026,1932201,CID,CCOC(=O)/C(C#N)=C\c1ccc(N2CCN(C)CC2)cc1
+Absorbance,,435026,1932779,CID,O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/N1CCCc2ccccc21
+Absorbance,,435026,1944429,CID,CCOc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1
+Absorbance,,435026,1949028,CID,CC(C)OC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12
+Absorbance,,435026,1963406,CID,Cc1c(OC(=O)N(C)C)ccc2c1O/C(=C\c1ccco1)C2=O
+Absorbance,,435026,1974732,CID,COCCCn1c(N)c(C(=O)Nc2ccccc2)c2nc3ccccc3nc21
+Absorbance,,435026,1976884,CID,O=C(O)Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21
+Absorbance,,435026,1979247,CID,Cc1cc(C)c[n+](-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)s2)c1
+Absorbance,,435026,1980939,CID,O=S(=O)(Nc1nc2ccccc2nc1-[n+]1cccc(N=C([O-])c2ccccc2Cl)c1)c1ccccc1
+Absorbance,,435026,2007579,CID,COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O
+Absorbance,,435026,2025178,CID,COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(N)=O)cc1
+Absorbance,,435026,2025888,CID,CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O
+Absorbance,,435026,2026916,CID,Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CCCN1CCOCC1
+Absorbance,,435026,2052604,CID,COCCN1C=C(C(=O)OC)C(c2ccc(Cl)cc2)C(C(=O)OC)=C1
+Absorbance,,435026,2054475,CID,COc1ccc2cc(C(C)=O)c(=O)oc2c1
+Absorbance,,435026,2080199,CID,COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1
+Absorbance,,435026,2106461,CID,CN1CCCN(C(=O)Cc2c(Cl)cccc2Cl)c2nc3ccccc3nc21
+Absorbance,,435026,2145327,CID,Cn1c(NNC(=O)c2cccc3ccccc23)cc(=O)n(C)c1=O
+Absorbance,,435026,2152201,CID,Cc1cccc(CN2CCc3c(OCC(=O)N4CCCc5ccccc54)cccc3C2=O)c1
+Absorbance,,435026,2155909,CID,CCCn1c(=NC(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21
+Absorbance,,435026,2172338,CID,COCCN1C=C(C(=O)OC)C(c2cc(Br)c(OC)c(OC)c2)C(C(=O)OC)=C1
+Absorbance,,435026,2172352,CID,CCCOc1ccc(C2C(C(=O)OC)=CN(CCOC)C=C2C(=O)OC)cc1
+Absorbance,,435026,2174253,CID,C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)O)C3=C2C(=O)CC(C)(C)C3)cc1OC
+Absorbance,,435026,2235946,CID,O=C(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1ccco1
+Absorbance,,435026,2291187,CID,CCOc1ccc(C2C(C(=O)OC)=CN(CCOC)C=C2C(=O)OC)cc1
+Absorbance,,435026,2357239,CID,O=C(Cc1nc2ccccc2[nH]1)NCc1ccco1
+Absorbance,,435026,2369069,CID,CCN1C(=S)SC(=O)C1=C1C=C(C)N(Cc2ccco2)C(C)=C1
+Absorbance,,435026,2419651,CID,CCOCCCNC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1
+Absorbance,,435026,2450265,CID,CCN1CCc2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2C1
+Absorbance,,435026,2479222,CID,CN1CCc2nc(NC(=O)COc3ccc(C#N)cc3)sc2C1
+Absorbance,,435026,2496124,CID,CSc1ccc(/C=C(/Sc2nnc(-c3ccccc3)o2)C(=O)O)cc1
+Absorbance,,435026,2552802,CID,CN1CCc2nc(NC(=O)c3cccc(OC(F)F)c3)sc2C1
+Absorbance,,435026,2740179,CID,COC(=O)c1cc(=O)n2c(sc3ccccc32)c1C#N
+Absorbance,,435026,2768304,CID,N#Cc1c(-c2ccc3c(c2)OCO3)ccn2nc(-c3cccc(C(F)(F)F)c3)nc12
+Absorbance,,435026,2821664,CID,O=C(CCN1CCC(c2ccc(Cl)s2)=N1)c1ccc(Cl)s1
+Absorbance,,435026,2842535,CID,Fc1ccccc1N1CC(c2ccccc2)C(c2cccs2)=N1
+Absorbance,,435026,2858319,CID,Oc1c(C=Nc2ccccc2)sc2ccccc12
+Absorbance,,435026,2909877,CID,CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OCC)C(c3ccc(OC)cc3)C2)C1c1ccccn1
+Absorbance,,435026,2910257,CID,CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OCC)C(c3ccccc3OC)C2)C1c1ccccn1
+Absorbance,,435026,2910318,CID,CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OCC)C(c3cccc(OC)c3)C2)C1c1ccccn1
+Absorbance,,435026,2917066,CID,COC(=O)C1=CN(CC2CCCO2)C=C(C(=O)OC)C1c1cccc(O)c1
+Absorbance,,435026,2917521,CID,CN(C)c1ccc(C2C3C(=O)NC(=O)C3ON2c2ccc(Cl)cc2)cc1
+Absorbance,,435026,2919666,CID,CCOC(=O)c1oc2c(CN3CCN(CCO)CC3)c(O)c(CC)cc2c(=O)c1-c1nc2ccccc2s1
+Absorbance,,435026,2949254,CID,CC1=C(C(=O)OCC2CCCO2)C(c2ccccc2OC(C)C)C2=C(CC(c3ccco3)CC2=O)N1
+Absorbance,,435026,2972664,CID,CCOC(=O)N1CCC(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)CC1
+Absorbance,,435026,2998649,CID,Cc1c(N=Cc2c(O)n(Cc3ccco3)c(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C
+Absorbance,,435026,3090127,CID,CC1=C(C(=O)OC(C)C)C(c2cccnc2)C2=C(CC(C)(C)CC2=O)N1
+Absorbance,,435026,3091112,CID,CCC(CC)COC(=O)C1=C(C)NC(=O)NC1c1ccc(N(C)C)cc1
+Absorbance,,435026,3130545,CID,COc1cc(/C(O)=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OC
+Absorbance,,435026,3156458,CID,CCCN1CCC2(CC1)C(C#N)=C(N)Oc1c2sc2nc(C)cc(C)c12
+Absorbance,,435026,3158199,CID,COCCNC(=O)c1cnn2c(C(F)F)cc(-c3ccc(C)cc3)nc12
+Absorbance,,435026,3158412,CID,COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccc(O)c(OC)c1
+Absorbance,,435026,3175176,CID,Cc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccccc3)N3CCc4ccccc43)cc2c1
+Absorbance,,435026,3221571,CID,COCCNC(=S)N1CCCN(c2nc3cc(C)ccc3cc2C#N)CC1
+Absorbance,,435026,3221589,CID,CCOCCCNC(=S)NCCNc1nc2c(C)cccc2cc1C#N
+Absorbance,,435026,3221601,CID,CCOCCCNC(=S)NCCCNc1nc2cc3c(cc2cc1C#N)OCO3
+Absorbance,,435026,3221622,CID,Cc1cccc2cc(C#N)c(NCCNC(=S)NCCCN3CCOCC3)nc12
+Absorbance,,435026,3221688,CID,Cc1cccc2cc(C#N)c(NCCNC(=O)COc3ccccc3)nc12
+Absorbance,,435026,3221701,CID,COc1cc(C(=O)NCCCNc2nc3cc(C)cc(C)c3cc2C#N)cc(OC)c1OC
+Absorbance,,435026,3221712,CID,CCC(=O)NCCNc1nc2cc(C)c(C)cc2cc1C#N
+Absorbance,,435026,3227938,CID,COCCNc1cc(C)nc2cc(-c3ccc(C)cc3)nn12
+Absorbance,,435026,3236108,CID,CCN1C(=O)/C(=C2/Sc3ccccc3N2CCCS(=O)(=O)O)SC1=S
+Absorbance,,435026,3238489,CID,Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)cc1
+Absorbance,,435026,3239166,CID,Cc1ccccc1-n1nc2c(c1NC(=O)c1cc3ccccc3oc1=O)CS(=O)(=O)C2
+Absorbance,,435026,3239492,CID,Fc1ccccc1N1CCN(c2nc3ccccc3n3nnnc23)CC1
+Absorbance,,435026,3239644,CID,Cc1ccc(C2C3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1
+Absorbance,,435026,3242116,CID,CSc1sc(C)cc1C1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2
+Absorbance,,435026,3245723,CID,CCOC(=O)c1ccc2[nH]cc(C(C)=O)c(=O)c2c1
+Absorbance,,435026,3282743,CID,CCOc1ccc(N=Cc2c(O)n(-c3cccc(C)n3)c(=O)c3ccccc23)cc1
+Absorbance,,435026,3285786,CID,CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)c2C(N)=O)C1
+Absorbance,,435026,3431642,CID,N=c1oc2ccccc2cc1-c1nc(-c2ccc(Cl)cc2)cs1
+Absorbance,,435026,3469750,CID,COc1ccc(Cn2c(=N)c(C(=O)NC3CCCCC3)cc3c(=O)n4ccccc4nc32)cc1
+Absorbance,,435026,3491650,CID,Cc1ccc(S(=O)(=O)NC(C(=O)Oc2ccc3ccc(=O)oc3c2)c2ccccc2)cc1
+Absorbance,,435026,3559378,CID,COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(CC3CCCO3)c2=N)cc1OC
+Absorbance,,435026,3563571,CID,COCC(C)OC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12
+Absorbance,,435026,3584091,CID,COC(=O)c1c(NC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)sc2c1CCN(C)C2
+Absorbance,,435026,3649725,CID,CN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(N)=O)C1
+Absorbance,,435026,3694202,CID,Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2cccc(Cl)c2)no1
+Absorbance,,435026,3699852,CID,COc1ccc(N=Cc2nc(-c3ccco3)oc2O)cc1
+Absorbance,,435026,3724446,CID,CCOC(=O)C1CCCc2c1[nH]c1c(C(N)=O)cccc21
+Absorbance,,435026,3724486,CID,CC(C)CCN(CCC(C)C)CC(O)Cn1c2ccccc2c(=O)c2ccccc21
+Absorbance,,435026,3739638,CID,O=C(NC(=S)N1CCCCC1c1cccnc1)c1ccc(Br)cc1
+Absorbance,,435026,3746589,CID,CCC(NC(=O)OCc1ccccc1)C(=O)Oc1ccc2ccc(=O)oc2c1
+Absorbance,,435026,3773029,CID,Cc1ccccc1N=Cc1cc2c(cc1O)OC(N)=C(C#N)C2c1ccccc1
+Absorbance,,435026,3776489,CID,COc1ccc(Cn2c(=N)c(C(=O)NCC3CCCO3)cc3c(=O)n4ccccc4nc32)cc1
+Absorbance,,435026,3790338,CID,CC(C)Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2
+Absorbance,,435026,3829432,CID,CCOC(=O)CC(=O)CSc1nc2c(cc1C#N)CCC2
+Absorbance,,435026,3941302,CID,CNc1cc(F)nc(F)n1
+Absorbance,,435026,3991439,CID,CC(Nc1ncnc2sccc12)c1ccccc1
+Absorbance,,435026,4192118,CID,O=C(O)C1CCCC2CN3CCc4c([nH]c5ccccc45)C3C(O)C21
+Absorbance,,435026,4199276,CID,Cn1c(=O)c2nc(NNC(=O)c3ccc([N+](=O)[O-])cc3)cnc2n(C)c1=O
+Absorbance,,435026,4221396,CID,COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(C3CCCCC3)c2=N)cc1OC
+Absorbance,,435026,4221772,CID,CCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NC(C)c2ccccc2)c1=O
+Absorbance,,435026,4264319,CID,COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CCCN3CCOCC3)c2=N)cc1
+Absorbance,,435026,4274100,CID,CCCn1c(O)c(C=Nc2ccccc2)sc1=S
+Absorbance,,435026,4307096,CID,COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(CCCN3CCOCC3)c2=N)cc1
+Absorbance,,435026,4335971,CID,COc1cc2c(cc1OC)CN(CC(O)c1ccccc1)CC2
+Absorbance,,435026,4338730,CID,COc1cc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)cc(OC)c1OC
+Absorbance,,435026,4343310,CID,C=CCN1C=CC(=CC=C(C#N)C#N)C=C1
+Absorbance,,435026,4374897,CID,COc1cc(-c2cc3nc4ccccc4n3c(N)c2C#N)cc(OC)c1OC
+Absorbance,,435026,4432211,CID,CC(=O)N1CCc2c(sc(NC(=O)c3ccc4c(c3)OCCO4)c2C#N)C1
+Absorbance,,435026,4559992,CID,COc1ccc(C2NC(C(=O)O)Cc3c2[nH]c2ccccc32)cc1CN1CCN(c2ccc(F)cc2)CC1
+Absorbance,,435026,4639629,CID,O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1F
+Absorbance,,435026,4902156,CID,COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(F)cc1)CC2
+Absorbance,,435026,4986167,CID,COC(=O)Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc2cc(OC)ccc21
+Absorbance,,435026,5088525,CID,Cc1ccc(O)c(Nc2c3ccccc3nc3ccccc23)c1
+Absorbance,,435026,5095459,CID,COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(CCCN3CCOCC3)c2=N)cc1OC
+Absorbance,,435026,5109926,CID,COc1ccc(CCn2c(=N)c(C(=O)NCC3CCCO3)cc3c(=O)n4cccc(C)c4nc32)cc1
+Absorbance,,435026,5296049,CID,Clc1ccc(/C=C\c2nccc3c2[nH]c2ccccc23)cc1
+Absorbance,,435026,5307548,CID,c1ccc2c(c1)nc(NCC1CCCO1)c1nnnn12
+Absorbance,,435026,5307674,CID,Cc1cc(NCc2ccco2)nc2cc(O)ccc12
+Absorbance,,435026,5308595,CID,CCOc1ccc(C2N(c3ccc(F)cc3)C(=O)C3CCCN32)cc1OC
+Absorbance,,435026,5309490,CID,CCn1c(C(=O)Nc2ccsc2C(=O)OC)cc2sc(Cl)cc21
+Absorbance,,435026,5310872,CID,CCN1CCN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC1
+Absorbance,,435026,5357627,CID,COc1ccc(-c2c(C)c3ccc(O)cc3oc2=O)cc1
+Absorbance,,435026,5381219,CID,O=c1oc2c(CN3CCOCC3)c(O)ccc2c2c1CCCC2
+Absorbance,,435026,5389495,CID,CCCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12
+Absorbance,,435026,5389511,CID,CCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12
+Absorbance,,435026,5389516,CID,Cc1c(O)c(CN2CCCCC2)cc2c3c(c(=O)oc12)CCC3
+Absorbance,,435026,5389553,CID,CCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12
+Absorbance,,435026,5389605,CID,CCc1c(C)c2cc(Cl)c(O)c(CN3CCCCC3)c2oc1=O
+Absorbance,,435026,5390001,CID,O=C(Cc1cc(=O)oc2cc(O)ccc12)NCC1CCC(C(=O)O)CC1
+Absorbance,,435026,5393158,CID,COc1ccc(-c2c(C)c3ccc(O)cc3oc2=O)cc1OC
+Absorbance,,435026,5401874,CID,CC(=O)N(/N=C1\Sc2ccccc2C1=O)c1ccccc1C
+Absorbance,,435026,5407779,CID,Cc1c(Br)c(=O)oc2c(Br)c(O)c(O)cc12
+Absorbance,,435026,5413038,CID,O=C(c1ccccc1)c1cc2ccc(O)cc2oc1=O
+Absorbance,,435026,5415903,CID,Cc1oc2cc(O)ccc2c(=O)c1-c1nncn1-c1ccccc1
+Absorbance,,435026,5422067,CID,CN(C)Cc1c(O)ccc2c3c(c(=O)oc12)CCCCC3
+Absorbance,,435026,5422815,CID,CCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12
+Absorbance,,435026,5423063,CID,CCN(CC)Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12
+Absorbance,,435026,5423736,CID,COC(=O)COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O
+Absorbance,,435026,5574594,CID,COC(=O)c1ccccc1NCc1cc(=O)oc2cc(O)c(O)cc12
+Absorbance,,435026,5622697,CID,CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12
+Absorbance,,435026,5638819,CID,O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2ccc(O)cc2o1
+Absorbance,,435026,5688422,CID,O=c1cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c2ccc(O)cc2o1
+Absorbance,,435026,5688424,CID,O=c1cc(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c2ccc(O)cc2o1
+Absorbance,,435026,5693817,CID,CCc1cc2c(COC(=O)c3c(C)noc3C)cc(=O)oc2cc1O
+Absorbance,,435026,5709759,CID,CCN1/C(=C/C=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21
+Absorbance,,435026,5710513,CID,Cc1cc(=O)oc2c(CN3CC(C)OC(C)C3)c(O)c(Cl)cc12
+Absorbance,,435026,5727752,CID,N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)Nc1ccccc1
+Absorbance,,435026,5732079,CID,Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1CCO
+Absorbance,,435026,5735906,CID,COc1ccc(C(=O)/C=C\c2ccc(NC(=O)c3cccs3)cc2)cc1
+Absorbance,,435026,5738076,CID,O=C(/C=C/c1ccc[nH]1)c1ccc(F)cc1
+Absorbance,,435026,5738668,CID,Cc1c(O)ccc2c3c(c(=O)oc12)CCC(C)C3
+Absorbance,,435026,5739885,CID,Cc1c(C)c2cc(Cl)c(O)c(CN(C)C)c2oc1=O
+Absorbance,,435026,5740001,CID,CCc1c(C)c2cc(Cl)c(O)c(CN(CC)CC)c2oc1=O
+Absorbance,,435026,5742152,CID,COc1ccccc1/C=C/c1nc(C#N)c(N(C)C)o1
+Absorbance,,435026,5765576,CID,CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)O)c3ccccc23)c1
+Absorbance,,435026,5765579,CID,Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(CC(=O)O)c2ccccc12
+Absorbance,,435026,5767037,CID,COCCNC(=O)/C(C#N)=C/c1cn(CC(=O)NCc2ccco2)c2ccccc12
+Absorbance,,435026,5769276,CID,Clc1ccc(/C=C/c2ncc3ccccn23)cc1
+Absorbance,,435026,5771326,CID,COc1cccc(C(=O)c2cc3ccc(O)cc3oc2=O)c1
+Absorbance,,435026,5774261,CID,CC1CC1c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)o1
+Absorbance,,435026,5875181,CID,CSc1nsc2nc(=O)c(/C=C3\C=Nc4ccccc43)c(N)n12
+Absorbance,,435026,5911258,CID,CCN(CC)Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3
+Absorbance,,435026,5919819,CID,COC(=O)C(C)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O
+Absorbance,,435026,5921518,CID,COCCCNC(=O)/C(C#N)=C/c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O
+Absorbance,,435026,5929336,CID,Nc1c(/C=C2\C=Nc3ccccc32)c(=O)nc2sc(CC(=O)N3CCOCC3)nn12
+Absorbance,,435026,5929854,CID,O=C(/C=C/c1ccc[nH]1)c1ccccc1
+Absorbance,,435026,5933865,CID,COCCNC(=O)/C(C#N)=C/c1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c(C)cccn2c1=O
+Absorbance,,435026,5962312,CID,CC1CN(Cc2cc(=O)oc3cc(O)ccc23)CC(C)O1
+Absorbance,,435026,5987100,CID,Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCS(=O)(=O)C2)c1
+Absorbance,,435026,6017068,CID,Cn1cc(/C=N\O)nc2c(=O)n(-c3ccccc3)c(=O)nc1-2
+Absorbance,,435026,6043656,CID,N#Cc1ccc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)cc1
+Absorbance,,435026,6075228,CID,CC(NC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)cc1)c1ccccc1
+Absorbance,,435026,6105983,CID,C=CCNC(=O)/C(C#N)=C/c1c(N2CC(C)OC(C)C2)nc2ccccn2c1=O
+Absorbance,,435026,6150569,CID,Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCS(=O)(=O)C3)c(Oc3ccc(F)cc3)nc12
+Absorbance,,435026,6184270,CID,CC1CCCCN1Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)coc12
+Absorbance,,435026,6217189,CID,Cc1c(CCC(=O)NCCCN2CCCC2=O)c(=O)oc2c(C)c(O)ccc12
+Absorbance,,435026,6236173,CID,Cc1c(CCC(=O)NC2CC2)c(=O)oc2c(C)c(O)ccc12
+Absorbance,,435026,6257780,CID,CC(=O)c1cc2c(cc1N/C(=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1)OCO2
+Absorbance,,435026,6279969,CID,CN(C)/C=N/c1nc2nccc(-c3cccs3)n2n1
+Absorbance,,435026,6398921,CID,CCN(CC)CC.O=C1NC(=S)S/C1=C1\Sc2ccccc2N1CCCS(=O)(=O)O
+Absorbance,,435026,6425107,CID,CC(C)(C)Nc1c2ccccc2nc2ccccc12
+Absorbance,,435026,6426453,CID,Clc1cncc(Cl)c1NNc1c2ccccc2nc2ccccc12
+Absorbance,,435026,6525830,CID,Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)o1
+Absorbance,,435026,6603244,CID,CCN(CC)Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12
+Absorbance,,435026,6887842,CID,Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1/N=C/c1ccco1
+Absorbance,,435026,7692888,CID,CC(=O)Nc1ccc(S(=O)(=O)NCc2nc(-c3cccc(C)c3)no2)cc1
+Absorbance,,435026,9550341,CID,CCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)s1
+Absorbance,,435026,9550790,CID,COc1ccc(CCNc2nc3ccccc3n3nnnc23)cc1OC
+Absorbance,,435026,9550813,CID,Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)cc1C
+Absorbance,,435026,9551622,CID,COc1ccc(C(=O)c2cc3ccc(O)cc3oc2=O)cc1
+Absorbance,,435026,9551964,CID,CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[O-][Cl+3]([O-])([O-])[O-]
+Absorbance,,435026,9583963,CID,COc1ccc(/C=N/NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
+Absorbance,,435026,9677567,CID,O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1Cl
+Absorbance,,435026,11969970,CID,C/C=C/C=C/[C@H]1Cc2cc(O)cc(O)c2O1
+Absorbance,,435026,12004962,CID,CCN1C(=O)/C(=C2\Sc3ccccc3N2CC)OC1=S
+Absorbance,,435026,12006124,CID,Cc1nc2ccc(S(=O)(=O)Nc3ccc(-c4nc5cccnc5s4)cc3)cc2s1
+Absorbance,,435026,15944735,CID,Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)o1
+Absorbance,,435026,15944846,CID,OCCNc1c2ccccc2nc2c(F)c(F)c(F)c(F)c12
+Absorbance,,435026,15996111,CID,CCOCCCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc12
+Absorbance,,435026,16060010,CID,Cc1cccc(C2=NN(c3ccc(Br)cc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccc(F)cc2)c1
+Absorbance,,435026,16187326,CID,O=C(Cc1ccsc1)N1CCc2c([nH]c3ccccc23)C1c1ccccn1
+Absorbance,,435026,16194088,CID,Cc1cccc(NC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)n1
+Absorbance,,435026,16194470,CID,CCOc1ccc(C(=O)c2cc3ccc(O)cc3oc2=O)cc1
+Absorbance,,435026,16194490,CID,COc1ccccc1C(=O)c1cc2ccc(O)cc2oc1=O
+Absorbance,,435026,16195588,CID,CS(=O)(=O)c1nsc2nc(=O)c(/C=C3\C=Nc4ccccc43)c(N)n12
+Absorbance,,435026,16195592,CID,CC(C)S(=O)(=O)c1nsc2nc(=O)c(/C=C3\C=Nc4ccccc43)c(N)n12
+Absorbance,,435026,16403089,CID,CC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CCC4=C3C=C[C@@]21C
+Absorbance,,435026,16406347,CID,Cc1c(CC(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)O)c(=O)oc2cc(O)ccc12
+Absorbance,,435026,16419480,CID,Cc1nc2nc(CCNS(=O)(=O)c3ccc(Cl)cc3)cn2nc1C
+Absorbance,,435026,16421250,CID,Cc1ccc(S(=O)(=O)NCCc2cn3nc(C)c(C)nc3n2)cc1C
+Absorbance,,435026,16421865,CID,Cc1c(CC(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)c(=O)oc2cc(O)c(Cl)cc12
+Absorbance,,435026,16682491,CID,COc1ccc(CCNc2c3ccccc3nc3ccccc23)cc1OC
+Absorbance,,435026,16727385,CID,O=c1[nH]c(Nc2ccccc2Cl)cc2ccccc12
+Absorbance,,435026,16745632,CID,COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(Cc3ccc(OC)cc3)C=C2C1=O
+Absorbance,,435026,16833026,CID,CC(=O)N1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)c2C(N)=O)C1
+Absorbance,,435026,17585149,CID,Cc1c(CC(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)c(=O)oc2c(C)c(O)ccc12
+Absorbance,,435026,18573148,CID,CC(=O)N1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)c2C(N)=O)C1
+Absorbance,,435026,20864864,CID,CCc1ccc(C(=O)c2cc3ccc(O)cc3oc2=O)cc1
+Absorbance,,435026,20864865,CID,O=C(c1ccc(Br)cc1)c1cc2ccc(O)cc2oc1=O
+Absorbance,,435026,20864866,CID,O=C(c1ccc(F)cc1)c1cc2ccc(O)cc2oc1=O
+Absorbance,,435026,20967569,CID,COc1ccc(-c2nc3ccc(C(=O)NCCCN4CCOCC4)cc3nc2-c2ccc(OC)cc2)cc1
+Absorbance,,435026,24746969,CID,Cc1ccc2cc(C#N)c(N3CCCN(C(=S)NCCCN(C)C)CC3)nc2c1
+Absorbance,,435026,24746978,CID,COc1ccc(C(=O)NCCNc2nc3c(C)cccc3cc2C#N)cc1
+Absorbance,,435026,24747017,CID,COc1cc(C(=O)NCCNc2nc3cc(C)ccc3cc2C#N)cc(OC)c1OC
+Absorbance,,435026,24747058,CID,Cc1ccc2nc(NCCNC(=O)c3ccccc3)c(C#N)cc2c1
+Absorbance,,435026,24747075,CID,COc1cc(OC)cc(C(=O)NCCNc2nc3cc(C)cc(C)c3cc2C#N)c1
+Absorbance,,435026,24747099,CID,COc1ccccc1C(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N
+Absorbance,,435026,24747278,CID,COc1ccc(CC2NCCC3=CC(=O)CCC32)cc1O
+Absorbance,,435026,24747630,CID,COc1ccc(CNCc2c(O)c(Cl)cc3c(C)c(C)c(=O)oc23)c(OC)c1
+Absorbance,,435026,24747696,CID,CCc1cc(=O)oc2c(CNCc3ccc(OC)cc3OC)c(O)c(Cl)cc12
+Absorbance,,435026,24747705,CID,CCc1cc(=O)oc2c(CNCc3ccccc3F)c(O)c(Cl)cc12
+Absorbance,,435026,24747858,CID,Cc1cc2oc3cc(NCCC4CCCN4C)ccc3c(=O)c2cc1C
+Absorbance,,435026,24747920,CID,COc1cc2sc3ccc(C#CC4(O)CCCCC4)cc3c(=O)c2cc1OC
+Absorbance,,435026,24747923,CID,O=c1c2ccccc2sc2ccc(C#CC3(O)CCCCC3)cc12
+Absorbance,,435026,24761148,CID,COC(=O)Cc1c(C)c2ccc(O)c(CNCc3ccc(OC)c(OC)c3)c2oc1=O
+Absorbance,,435026,24761354,CID,Cn1c2ccccc2c(=O)c2ccc(F)cc21
+Absorbance,,435026,24761886,CID,COC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCN(Cc1ccccc1)C2
+Absorbance,,435026,24791400,CID,CC(CC(F)(F)F)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
+Absorbance,,435026,24791847,CID,O=C(c1nc2ccc(Cl)cn2c1CN1CCC[C@H]1CO)N1CCCCCCC1
+Absorbance,,435026,24792645,CID,CCOC(=O)c1ccc(-c2ccc3c(=O)c4ccccc4n(C)c3c2)cc1F
+Absorbance,,435026,24816490,CID,Cc1nc(Nc2cnc(/C=C/c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)cn2)cc(N2CCNCC2)n1
+Absorbance,,435026,24816492,CID,CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(/C=C/c4cnc(Nc5cc(N6CCNCC6)nc(C)n5)cn4)c3)cc2C(F)(F)F)CC1
+Absorbance,,435026,24816871,CID,CSCC(C)N1CCC(n2nccc2NC(=O)c2ccccc2C)CC1
+Absorbance,,435026,24817438,CID,CSCC(C)N1CCC(Oc2cccc(C(=O)NCc3ccccn3)c2)CC1
+Absorbance,,435026,24818828,CID,COc1ccccc1C#Cc1ccc2c(=O)c3ccccc3n(C)c2c1
+Absorbance,,435026,24818984,CID,COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(C)CSC)CC1
+Absorbance,,435026,54687554,CID,Cc1cccc(C)c1NC(=O)C1=C(O)c2sccc2N(C)S1(=O)=O
+Absorbance,,435026,135401471,CID,CCN(CC)c1ccc(/C=N/NC(=O)c2c(Cl)cnn2C)c(O)c1
+Absorbance,,435026,135403952,CID,COc1c(O)ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1[N+](=O)[O-]
+Absorbance,,435026,135408648,CID,Cc1ccc(Nc2nc(N)[nH]c(=O)c2N=O)cc1
+Absorbance,,435026,135417573,CID,Cc1nc2[nH]c(=O)c3c(n2n1)NC1=C(C(=O)CC(C)(C)C1)C3c1ccccc1
+Absorbance,,435026,135417574,CID,CCc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)[nH]c2nc(C)nn32)cc1
+Absorbance,,435026,135417576,CID,Cc1nc2[nH]c(=O)c3c(n2n1)NC1=C(C(=O)CC(C)(C)C1)C3c1ccc(F)cc1
+Absorbance,,435026,135420943,CID,Oc1nc(Nc2ccccc2)sc1/C=C1\C=Nc2ccccc21
+Absorbance,,435026,135435886,CID,CC1(C)CC(=O)C(C=Nc2cccc(/N=C/C3=C(O)CC(C)(C)CC3=O)n2)=C(O)C1
+Absorbance,,435026,135439686,CID,O=c1[nH]c(O)c(/C=C2/C=CC(c3cc(Cl)ccc3Cl)=N2)c(=O)[nH]1
+Absorbance,,435026,135439721,CID,COc1ccc(C(=O)N/N=C/c2c(CO)cnc(C)c2O)cc1
+Absorbance,,435026,135454418,CID,CCOC(=O)c1sc(N/N=C/c2cc(Br)c(O)c(OC)c2)nc1C
+Absorbance,,435026,135458255,CID,COC(=O)C1=C(O)/C(=C\c2cc(C)n(-c3ccccc3C)c2C)N=C1C
+Absorbance,,435026,135460561,CID,C=CCc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(OC)c1O
+Absorbance,,435026,135466192,CID,Cc1cccc(Nc2nnc(SC/C(O)=C(\C#N)c3nc4ccccc4[nH]3)s2)c1C
+Absorbance,,435026,135466641,CID,COc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\O)cc1
+Absorbance,,435026,135490296,CID,CC(C)(C)c1cc(/C=N/NC(=O)Cc2nc3ccccc3[nH]2)cc(C(C)(C)C)c1O
+Absorbance,,435026,135501338,CID,N#C/C(=C/c1ccc(O)c(O)c1)c1nc2ccccc2[nH]1
+Absorbance,,435026,135512317,CID,Nc1nc(N2CCOCC2)cc(=O)[nH]1
+Absorbance,,435026,135516114,CID,Cc1ccc2nc(/C(C#N)=C/c3ccc(O)c(O)c3)[nH]c2c1
+Absorbance,,435026,135517040,CID,Cc1cccc(-n2c(O)c(/C=C/C=Nc3ccccc3)c(=O)[nH]c2=O)c1
+Absorbance,,435026,135521524,CID,Cc1cc(Nc2ccccc2)nc2cc(O)ccc12
+Absorbance,,435026,135536566,CID,Oc1ccc(Br)cc1/C=N/n1c(-c2ccccc2)n[nH]c1=S
+Absorbance,,435026,135558932,CID,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc3nc[nH]c3c2)c(O)c1
+Absorbance,,435026,135611157,CID,Cc1cc(C)c(C2=CC(c3ccccc3)n3ncnc3N2)cc1C
+Absorbance,,435026,135676260,CID,C/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccc(O)cc1O
+Absorbance,,1641,94381,CID,CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
+Absorbance,,1641,109673,CID,Cc1cc(N)ccc1N1CCCC1
+Absorbance,,1641,279160,CID,O=P(O)(O)c1ccccc1OCc1ccccc1
+Absorbance,,1641,619417,CID,O=C1CCCC2=C1C(c1cccs1)Nc1ccc3ncccc3c12
+Absorbance,,1641,619419,CID,Cc1ccsc1C1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2
+Absorbance,,1641,645450,CID,CN1CCN(c2ccc(N)c(N3CCN(C)CC3)c2)CC1
+Absorbance,,1641,653855,CID,Cc1ccc2nsnc2c1S(=O)(=O)Nc1cccc2nsnc12
+Absorbance,,1641,659647,CID,COCCN(Cc1ccccc1)P(=O)(O)c1ccccc1OCC(=O)O
+Absorbance,,1641,659999,CID,O=C(Oc1ccccc1)c1c(Cl)cccc1P(=O)(O)O
+Absorbance,,1641,662183,CID,Oc1ccccc1-c1nc(NCCN2CCOCC2)c2ccccc2n1
+Absorbance,,1641,664033,CID,CC1(C)CCCN(C(=O)c2coc(=O)c(Br)c2)C1
+Absorbance,,1641,665299,CID,O=C1c2ccccc2C(=O)N1c1ccc2nc(-c3ccc(Br)o3)[nH]c2c1
+Absorbance,,1641,665723,CID,COc1ccc(-c2cnc(N)nc2-c2ccc(OC)cc2O)cc1
+Absorbance,,1641,704725,CID,Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12
+Absorbance,,1641,717599,CID,Cc1cc(NC(=O)Cc2cccs2)no1
+Absorbance,,1641,737253,CID,CN1CCN(c2ccc(N)cc2)CC1
+Absorbance,,1641,744368,CID,CN(C)CCN1CCc2ccccc21
+Absorbance,,1641,756692,CID,CC1CCN(c2ncnc3nc[nH]c23)CC1
+Absorbance,,1641,891461,CID,O=C(O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2Cl)c1
+Absorbance,,1641,960705,CID,Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1
+Absorbance,,1641,1004085,CID,COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(OC)c(OC)c4)sc3n2)cc1
+Absorbance,,1641,1026525,CID,COc1cc2nc(-c3ccc(Br)o3)oc(=O)c2cc1OC
+Absorbance,,1641,1160447,CID,O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cccs4)cc3[nH]2)cc1)c1cccs1
+Absorbance,,1641,1207745,CID,O=C1c2ccccc2C(=O)C1c1ccnc2ccccc12
+Absorbance,,1641,1212122,CID,COc1cccc(N=c2oc3ccc(OC)cc3cc2-c2nc3ccccc3[nH]2)c1
+Absorbance,,1641,1217392,CID,Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cccc4ncccc24)C3=O)cc1C
+Absorbance,,1641,1224698,CID,CCOc1cc(/C=C2/NC(=S)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1
+Absorbance,,1641,1234278,CID,Nc1ncnc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c12
+Absorbance,,1641,1234281,CID,Cc1ccc(-c2cc(-c3ccc(F)cc3)nc3ncnc(N)c23)cc1
+Absorbance,,1641,1252084,CID,O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cccnc1
+Absorbance,,1641,1254469,CID,COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1ccc(Br)o1
+Absorbance,,1641,1254639,CID,COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2
+Absorbance,,1641,1254875,CID,O=c1oc(-c2ccc(Br)o2)nc2ccccc12
+Absorbance,,1641,1255242,CID,Cc1cc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc(C)c1Cl
+Absorbance,,1641,1331726,CID,CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1
+Absorbance,,1641,1356461,CID,Cc1c(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)c(=O)n(-c2ccccc2)n1C
+Absorbance,,1641,1361439,CID,O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cc2ccccc2o1
+Absorbance,,1641,1371669,CID,Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c(C)c1
+Absorbance,,1641,1477791,CID,c1ccc(-c2nccc(-c3ccc(-n4cnc5ccccc54)cc3)n2)cc1
+Absorbance,,1641,1526406,CID,O=c1oc2ccccc2n1CCn1c2ccccc2c2nc3ccccc3nc21
+Absorbance,,1641,1926759,CID,CCCCn1c(CN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O
+Absorbance,,1641,1928929,CID,Nc1c(C(=O)Nc2nc3ccccc3s2)sc2nc(-c3cccs3)ccc12
+Absorbance,,1641,2092254,CID,COc1ccccc1CNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
+Absorbance,,1641,2181154,CID,O=C(COc1ccccc1)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2
+Absorbance,,1641,2192323,CID,O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(NC(=O)c2ccco2)c1
+Absorbance,,1641,2231188,CID,Cc1ccc2nc(-c3ccc(Br)o3)oc(=O)c2c1
+Absorbance,,1641,2237563,CID,C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1
+Absorbance,,1641,2334575,CID,O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12
+Absorbance,,1641,2347707,CID,O=C1Nc2ccc(NS(=O)(=O)c3cccs3)c3cccc1c23
+Absorbance,,1641,2833794,CID,CN(C)c1cc2c(c(N(C)C)c1)C(=O)c1ccccc1C2=O
+Absorbance,,1641,2859793,CID,COc1cc(N=Cc2c(O)[nH]c3ccccc23)cc(OC)c1OC
+Absorbance,,1641,2859794,CID,COc1ccc(N=Cc2c(O)[nH]c3ccccc23)cc1
+Absorbance,,1641,2876479,CID,CCC1=NNc2cccc3c(OC)ccc1c23
+Absorbance,,1641,2877674,CID,O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cc2ccccc2oc1=O
+Absorbance,,1641,2998537,CID,CCCn1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)nc2ccccc21
+Absorbance,,1641,3094436,CID,CC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])c(Nc3ccc(NC(C)=O)cc3)n2)cc1
+Absorbance,,1641,3135549,CID,O=C1C(c2ccnc3ccccc23)=C(O)c2ccccc21
+Absorbance,,1641,3147411,CID,CCOc1ccc2nc(NC3=NC(c4ccc(OC)cc4)CC(=O)N3)nc(C)c2c1
+Absorbance,,1641,3236395,CID,COc1ccc(-c2nnc(Nc3nc4c(OC)cccc4s3)o2)cc1
+Absorbance,,1641,3239295,CID,CC(C)(C)C(=O)NC(=C(Cl)Cl)P(=O)(O)O
+Absorbance,,1641,3241109,CID,O=C(Nc1ccc(-n2nncc2-c2ccco2)cc1)c1cc2ccccc2oc1=O
+Absorbance,,1641,3243159,CID,Oc1[nH]c2ccccc2c1C=Nc1ccc2c(c1)OCCO2
+Absorbance,,1641,3244010,CID,CSc1nc2ccc3nc(NC(=O)c4cccs4)sc3c2s1
+Absorbance,,1641,3245548,CID,O=P(O)(O)c1ccccc1OCCCCCOc1ccccc1P(=O)(O)O
+Absorbance,,1641,3245753,CID,COc1ccc(N=Cc2c(O)[nH]c3ccccc23)cc1OC
+Absorbance,,1641,4111713,CID,Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)N4CCCC4)sc3c2)nnc1-c1ccc(N)cc1
+Absorbance,,1641,4454678,CID,Cc1cc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)ccc1Cl
+Absorbance,,1641,4483668,CID,O=C(ONc1ccc(N=NC(=O)c2ccccc2O)cc1)c1ccccc1
+Absorbance,,1641,4582891,CID,COc1ccc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1
+Absorbance,,1641,4835204,CID,N#Cc1cccc(NC(=O)CSc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)c1
+Absorbance,,1641,5281576,CID,C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1
+Absorbance,,1641,5347338,CID,O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1
+Absorbance,,1641,5400198,CID,CCOC(=O)c1cccc2c1-c1ccccc1/C2=N/O
+Absorbance,,1641,5405437,CID,COC(=O)c1cccc2c1-c1ccccc1/C2=N/O
+Absorbance,,1641,5690151,CID,O=C(N/N=C1/C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1
+Absorbance,,1641,5714572,CID,O=C1Nc2ccccc2/C1=C/c1cnc[nH]1
+Absorbance,,1641,5770206,CID,Cc1ccc(C(=O)NNC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)cc1
+Absorbance,,1641,6113170,CID,N#C/C(C(N)=O)=C1/CCc2ccccc2N1
+Absorbance,,1641,6375556,CID,CC(C(=O)O)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S
+Absorbance,,1641,6871590,CID,O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Cl)Nc1ccccc1
+Absorbance,,1641,6874905,CID,O=C(N/N=C/c1cccc(F)c1)c1cc(-c2ccco2)nc2ccccc12
+Absorbance,,1641,6875023,CID,O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc12
+Absorbance,,1641,9550860,CID,Cc1ccc(OC(=O)c2ccccc2P(=O)(O)O)cc1
+Absorbance,,1641,9550977,CID,COc1ccc(-n2nc(C(=O)Nc3ccc(OC)c(OC)c3)c3c4ccccc4n(C)c3c2=O)cc1
+Absorbance,,1641,9551313,CID,O=C(Oc1ccccc1Cl)c1ccccc1P(=O)(O)O
+Absorbance,,1641,9564541,CID,COc1ccc2nc(C)cc(SCC(=O)N/N=C/c3cccc4ccccc34)c2c1
+Absorbance,,1641,9593115,CID,O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])cc1)c1cccs1
+Absorbance,,1641,135406072,CID,O=C(Nc1ccccc1[N+](=O)[O-])C1=C(O)CCn2c1nc1ccccc12
+Absorbance,,1641,135417544,CID,Cc1[nH]nc(N=CC2=C(O)CC(C)(C)CC2=O)c1-c1ccc(Cl)cc1
+Absorbance,,1641,135432550,CID,COc1cccc(CN2CC(O)=C(c3nc(-c4ccc(Cl)cc4)cs3)C2=N)c1
+Absorbance,,1641,135510948,CID,CCOc1ccc(N=C2NC(=O)S/C2=C\c2ccc(Cl)cc2)cc1
+Absorbance,,1641,135512425,CID,O=[N+]([O-])c1cc(/C=N\Nc2nccs2)ccc1O