Added 200 molecules from epoch 17576 for Q92769

Q92769_molecules.csv

@@ -31113,3 +31113,203 @@ rxn:2:97345:146292,CC(C)Cn1c2c(cc(CNC(C)c3cnc(-c4cnc(N5CCCCC5)nc4)s3)c1=O)CN(C)C
 rxn:2:97660:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCC(C)N(CC3CCCC3)C2)cn1,ROURRLDPUGPERR-UHFFFAOYSA-N
 rxn:2:97995:140202,CC(NCC(c1ccco1)N1CCCC2CCCCC21)c1ccc(OS(C)(=O)=O)cc1,CZSLGZCZXZHLIS-UHFFFAOYSA-N
 rxn:2:98237:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(C)c1ccc(OCC)nc1C,JUUWWIXRGXCUIR-UHFFFAOYSA-N
+rxn:1:10166:49466,CC(C)c1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)C3CCCCC3)CC2)nn1,JGLWSNBTOLRVJD-UHFFFAOYSA-N
+rxn:1:10166:49479,CC(C)c1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCC3)CC2)nn1,QVQQPGZEUKBIKS-UHFFFAOYSA-N
+rxn:1:10229:49466,CCc1nc2sc(C)c(-c3cccs3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)C3CCCCC3)CC2)nn1,SMNVNEOCGLAYCS-UHFFFAOYSA-N
+rxn:1:10551:61464,O=C(NC1CCCCC1)c1ccc(Cn2cc(CN3CCN(S(=O)(=O)c4cccs4)CC3)nn2)s1,CNOWVFLYGIRPKD-UHFFFAOYSA-N
+rxn:1:11007:55248,CC1CCCCC1N(Cc1cn(CC2CC2c2cscc2C(=O)O)nn1)S(=O)(=O)c1ccc(Br)cc1,OGPYWZOWZKOJGR-UHFFFAOYSA-N
+rxn:1:11170:41321,CC1CCCCC1N(Cc1cn(CC=Cc2cccc(N3CCNCC3)c2)nn1)S(=O)(=O)c1cccs1,SZTZAMFDKRATSV-UHFFFAOYSA-N
+rxn:1:11170:61459,CC1CCCCC1N(Cc1cn(Cc2ccc(C(=O)N3CCN(C)CC3)s2)nn1)S(=O)(=O)c1cccs1,CCVKTAIHYONYNC-UHFFFAOYSA-N
+rxn:1:11170:64333,CC1CCCCC1N(Cc1cn(CC2CC(=O)N(c3ncc(Br)cc3CO)C2)nn1)S(=O)(=O)c1cccs1,DQNXQOKRKTURKT-UHFFFAOYSA-N
+rxn:1:11170:64960,CC1CCCCC1N(Cc1cn(CC2CC(=O)N(c3ncc(Br)cn3)C2)nn1)S(=O)(=O)c1cccs1,WCXUSKJYNZOJJO-UHFFFAOYSA-N
+rxn:1:11170:64963,CC1CCCCC1N(Cc1cn(CC2CC(=O)N(c3ncc(I)cn3)C2)nn1)S(=O)(=O)c1cccs1,YYUQJUMRTGSCRY-UHFFFAOYSA-N
+rxn:1:11170:65294,CC1CCCCC1N(Cc1cn(CC2CC(=O)N(c3cccc(Cl)c3-n3ccnc3)C2)nn1)S(=O)(=O)c1cccs1,BFLOGCPPXNEUHZ-UHFFFAOYSA-N
+rxn:1:11485:49355,Cc1cc(Cl)ccc1N(Cc1cn([C@@H]2CCC[C@H]2N2CCCN(C)CC2)nn1)S(=O)(=O)c1cccs1,XGMVUSMERLCDJC-DNQXCXABSA-N
+rxn:1:11505:61137,Cc1ccnc(N(Cc2cn(C3CN(C(=O)CCC4CCCCC4)C3)nn2)S(=O)(=O)c2cccs2)c1,FZECPDDKFRNZSL-UHFFFAOYSA-N
+rxn:1:11505:61365,Cc1ccnc(N(Cc2cn(C3CN(CC(=O)NC4CCCCC4)C3)nn2)S(=O)(=O)c2cccs2)c1,GMKWQVMZHZVNPE-UHFFFAOYSA-N
+rxn:1:11505:62979,Cc1ccnc(N(Cc2cn(CC3CC(=O)N(C4(C)CCCCCC4)C3)nn2)S(=O)(=O)c2cccs2)c1,NXHZMWJWTINZHA-UHFFFAOYSA-N
+rxn:1:16356:64841,CSc1ccc(-n2ncc(-c3cn(CC4CC(=O)N(c5cc(S(=O)(=O)O)ccc5N)C4)nn3)c2CC2CCCC2)cc1,JKIVGKVKIUQJMH-UHFFFAOYSA-N
+rxn:1:16981:47073,Cc1cc(-n2cc(-c3cnn(C4CCCS(=O)(=O)C4)c3C3CCCCC3)nn2)nc(NS(=O)(=O)c2ccccc2Cl)n1,IZISPQYBHFVBJH-UHFFFAOYSA-N
+rxn:1:18101:48259,O=[N+]([O-])c1ccc2c(C(O)C(O)Cn3cc(-c4c5c(nn4C4CCCSC4)CCN(CC(F)(F)F)C5)nn3)n[nH]c2c1,MJYIPLRSWQFFBW-UHFFFAOYSA-N
+rxn:1:18101:48411,O=[N+]([O-])c1ccc2[nH]cc(C(O)C(O)Cn3cc(-c4c5c(nn4C4CCCSC4)CCN(CC(F)(F)F)C5)nn3)c2c1,KFTBIGPAEQGVOM-UHFFFAOYSA-N
+rxn:1:20209:62297,CSc1ccc(C(C)n2nc(C(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)cc1,SNTPGQSVRCRLTP-UHFFFAOYSA-N
+rxn:1:20548:62297,CC(c1ccc(F)cc1F)n1nc(C2CC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,BXPASXVMQLLGLN-UHFFFAOYSA-N
+rxn:1:20551:62297,CC(C)C(c1ccc(F)cc1)n1nc(C2CC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,RKVOBONJRWWGKK-UHFFFAOYSA-N
+rxn:1:20610:62297,CC(c1cc(F)ccc1F)n1nc(C2CC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,BWKXXGKUDZKYMN-UHFFFAOYSA-N
+rxn:1:20852:54836,CC(C1CCC1)n1nc(C2CCC2)cc1-c1cn(CCC2C(c3cc([N+](=O)[O-])c4cn[nH]c4c3)C2(F)F)nn1,OWPJJPKNWRFGIT-UHFFFAOYSA-N
+rxn:1:20854:51341,CC(C1CCCCC1)n1nc(C2CCC2)cc1-c1cn(CC2C(c3n[nH]c4cc([N+](=O)[O-])ccc34)C2(F)F)nn1,HQRUYJGTVSZSRT-UHFFFAOYSA-N
+rxn:1:20865:62297,CC(c1ccc(F)c(F)c1)n1nc(C2CCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,QOPOTNGYBWLLIC-UHFFFAOYSA-N
+rxn:1:20922:62297,CC(c1cc(F)ccc1F)n1nc(C2CCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,IRFKLZUJSKVJAI-UHFFFAOYSA-N
+rxn:1:21152:61550,CC(C1CCC1)n1nc(C2CCCCC2)cc1-c1cn(Cc2cc(OS(=O)(=O)F)cc(C(=O)O)c2)nn1,GZNMXXXYVBHYFK-UHFFFAOYSA-N
+rxn:1:21155:60476,CC(C1CCCCC1)n1nc(C2CCCCC2)cc1-c1cn(-c2ccccc2C(F)(F)c2nc3cc([N+](=O)[O-])ccc3[nH]2)nn1,NSQODILHAJYQPN-UHFFFAOYSA-N
+rxn:1:21155:60477,CC(C1CCCCC1)n1nc(C2CCCCC2)cc1-c1cn(-c2cccc(C(F)(F)c3nc4cc([N+](=O)[O-])ccc4[nH]3)c2)nn1,VOUVHLHOICMXHW-UHFFFAOYSA-N
+rxn:1:21155:60479,CC(C1CCCCC1)n1nc(C2CCCCC2)cc1-c1cn(-c2cccc(C(F)(F)c3nc4c([N+](=O)[O-])cccc4[nH]3)c2)nn1,YNIQDPAZMZLBKL-UHFFFAOYSA-N
+rxn:1:21223:62297,CC(c1ccccc1C(F)(F)F)n1nc(C2CCCCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,GRNLJKCLNBPUSL-UHFFFAOYSA-N
+rxn:1:21504:62297,Cc1cccc(Cn2nc(CC(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c1F,ADNTVYSHSFLPEN-UHFFFAOYSA-N
+rxn:1:21546:62297,Cc1cccc(Cn2nc(CC(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c1Br,VMTYMSIQIPWHKH-UHFFFAOYSA-N
+rxn:1:21560:62297,Cc1cccc(Cn2nc(CC(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c1Cl,DTIAWDGDGFQTLD-UHFFFAOYSA-N
+rxn:1:21982:62297,CC(c1ccc(F)cc1)n1nc(C2CCCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,MOCXTVBOJSYMQX-UHFFFAOYSA-N
+rxn:1:21987:62297,CC(c1ccc(F)cc1F)n1nc(C2CCCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,JPYCLISLVCZLBP-UHFFFAOYSA-N
+rxn:1:21992:62297,CCC(c1ccc(F)cc1F)n1nc(C2CCCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,OSYROHQQBSUSDL-UHFFFAOYSA-N
+rxn:1:22049:62297,CC(c1cccc(F)c1F)n1nc(C2CCCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,IYUXJCUIKLCIQP-UHFFFAOYSA-N
+rxn:1:22050:62297,CC(c1ccccc1C(F)(F)F)n1nc(C2CCCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,PSOPACMFEOQKHO-UHFFFAOYSA-N
+rxn:1:22769:59740,Nc1c(I)c(C2CCCCC2)nn1-c1cncc(-c2cn(C3CCCN(S(=O)(=O)C4CC4)C3)nn2)c1,HJWXYZXDYSBIMM-UHFFFAOYSA-N
+rxn:1:22909:59779,Nc1c(Br)c(C2CNC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)c1,VTZPYTRAQTWXQD-UHFFFAOYSA-N
+rxn:1:22909:59780,Nc1c(Br)c(C2CNC2)nn1-c1cncc(-c2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,JCXZZINYVGAQOK-UHFFFAOYSA-N
+rxn:1:22910:59779,Nc1c(Cl)c(C2CNC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)c1,MFCMBGUTGICNLH-UHFFFAOYSA-N
+rxn:1:22910:59780,Nc1c(Cl)c(C2CNC2)nn1-c1cncc(-c2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,IAHLUQKKVYSFDB-UHFFFAOYSA-N
+rxn:1:27617:57785,CSc1ncc(CCCn2cc(C(C)(C)N3CC(CS(=O)(=O)Cl)CC3=O)nn2)c(O)n1,ZNLJOVFUAIFJPR-UHFFFAOYSA-N
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+rxn:1:31968:42973,Cc1[nH]nc(C(F)(F)F)c1C#CCn1cc(N(CC2COC(C)(C)O2)S(C)(=O)=O)nn1,AZFXWGIKNUIMHB-UHFFFAOYSA-N
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+rxn:1:31968:49942,COc1ncc(C2C(Cn3cc(N(CC4COC(C)(C)O4)S(C)(=O)=O)nn3)C2(F)F)cn1,UOBDMKRSSRSIHH-UHFFFAOYSA-N
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+rxn:1:32419:53735,CCc1nc(C)c(C2C(CCn3cc(CSC4=NC(=CN(C)C)C(=O)N4)nn3)C2(F)F)[nH]1,QIKAKYMCXZGXEO-UHFFFAOYSA-N
+rxn:1:32419:53789,Cc1cnc(Cl)c(C2C(CCn3cc(CSC4=NC(=CN(C)C)C(=O)N4)nn3)C2(F)F)c1,RQJHPVZBFRRXLX-UHFFFAOYSA-N
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