Added 302 molecules from epoch 17583 for Q92769

Q92769_molecules.csv

@@ -32520,3 +32520,305 @@ rxn:3:879:49937:122520,CCC(CC)c1cn(CC2C(c3cn[nH]c3C(=O)Nc3ccc(C4(OC)COC4)cc3)C2(
 rxn:3:879:51307:96374,CCC(CC)c1cn(CC2C(c3ccc4[nH]nc(C(=O)NC5(c6ccc(OC)cc6)CCCC5)c4c3)C2(F)F)nn1,WPCURPZSZMWGDA-UHFFFAOYSA-N
 rxn:3:981:60588:128495,CC(C)C[C@H](C(=O)NC1CCCC1(C)F)n1cc(C(C)N(C)C)nn1,YFCGFDCAJCKZCE-RPCSYYQKSA-N
 rxn:3:9956:59969:99561,CCOC1(CNC(=O)[C@@]23C[C@@H](n4cc(CSc5nc(C(C)C)cs5)nn4)[C@@H]2C3)CS(=O)(=O)C1,MKBDOLVPGMVMIH-XPIZARPCSA-N
+rxn:1:10165:49466,CC(C)c1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)C3CCCCC3)CC2)nn1,ZSBGVVOTGDZKGN-UHFFFAOYSA-N
+rxn:1:10165:49479,CC(C)c1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCC3)CC2)nn1,WADFKGAKIXLENN-UHFFFAOYSA-N
+rxn:1:10166:59777,CC(C)c1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCC3)C2)nn1,OTTVKDHPMZBKDW-UHFFFAOYSA-N
+rxn:1:10167:49479,CC(C)c1nc2scc(-c3ccc(F)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCC3)CC2)nn1,YCFOIDMVVXNDDQ-UHFFFAOYSA-N
+rxn:1:11007:51678,CC1CCCCC1N(Cc1cn(CCNCC(=O)O)nn1)S(=O)(=O)c1ccc(Br)cc1,FNNVOZGUZOVIAE-UHFFFAOYSA-N
+rxn:1:11158:51678,CC1CCCCC1N(Cc1cn(CCNCC(=O)O)nn1)S(=O)(=O)c1ccc(Cl)cc1,VIYRZPMZYLGGIY-UHFFFAOYSA-N
+rxn:1:11158:55248,CC1CCCCC1N(Cc1cn(CC2CC2c2cscc2C(=O)O)nn1)S(=O)(=O)c1ccc(Cl)cc1,BOQNAXYRGJOSPO-UHFFFAOYSA-N
+rxn:1:11170:44824,CC1CCCCC1N(Cc1cn(CCC#Cc2nccc(C(=O)O)c2F)nn1)S(=O)(=O)c1cccs1,ALSSCRMEFWBHBE-UHFFFAOYSA-N
+rxn:1:11170:52888,CC1CCCCC1N(Cc1cn(CCC2CC2c2cccc(N)c2C(=O)O)nn1)S(=O)(=O)c1cccs1,FBVYGGVUGQLUNU-UHFFFAOYSA-N
+rxn:1:11170:54313,CC1CCCCC1N(Cc1cn(CCC2C(c3n[nH]c4nc[nH]c(=O)c34)C2(F)F)nn1)S(=O)(=O)c1cccs1,IBFBWBBTWDLNMQ-UHFFFAOYSA-N
+rxn:1:11170:56122,CC1CCCCC1N(Cc1cn(CC2CC2c2cccc(Cl)c2C(=O)O)nn1)S(=O)(=O)c1cccs1,SHZRTLSBQGQSSF-UHFFFAOYSA-N
+rxn:1:11170:56124,CC1CCCCC1N(Cc1cn(CC2CC2c2cccc(F)c2C(=O)O)nn1)S(=O)(=O)c1cccs1,CBXVIDPBUKBVHL-UHFFFAOYSA-N
+rxn:1:11170:56246,CC1CCCCC1N(Cc1cn(CC2CC2c2cc(C(=O)O)cnc2N)nn1)S(=O)(=O)c1cccs1,ANPIOCYSPXSTCF-UHFFFAOYSA-N
+rxn:1:11170:61219,CC1CCCCC1N(Cc1cn(C2CN(C(=O)C=Cc3cccnc3)C2)nn1)S(=O)(=O)c1cccs1,DYXNRKAJMKLONZ-UHFFFAOYSA-N
+rxn:1:11170:64962,CC1CCCCC1N(Cc1cn(CC2CC(=O)N(c3ncc(Cl)cn3)C2)nn1)S(=O)(=O)c1cccs1,OFEBQTMBAXLBEY-UHFFFAOYSA-N
+rxn:1:11170:65377,CC1CCCCC1N(Cc1cn(CC2CC(=O)N(c3nccc(N)n3)C2)nn1)S(=O)(=O)c1cccs1,MGPGRJCZXYFRIG-UHFFFAOYSA-N
+rxn:1:11398:49308,Cc1cccnc1N(Cc1cn([C@@H]2CCCC[C@H]2N2CCCCCC2)nn1)S(=O)(=O)c1ccc(F)cc1,WODUMHDFZSOWKZ-CLJLJLNGSA-N
+rxn:1:11423:49308,Cc1ccnc(N(Cc2cn([C@@H]3CCCC[C@H]3N3CCCCCC3)nn2)S(=O)(=O)c2ccc(Br)cc2)c1,VSILFYLJTLLVML-CLJLJLNGSA-N
+rxn:1:11427:49308,Cc1cccnc1N(Cc1cn([C@@H]2CCCC[C@H]2N2CCCCCC2)nn1)S(=O)(=O)c1ccc(Br)cc1,CHWPQZCQLOVUFA-CLJLJLNGSA-N
+rxn:1:11485:49312,Cc1cc(Cl)ccc1N(Cc1cn([C@H]2CCCC[C@H]2N2CC3CCCC3C2)nn1)S(=O)(=O)c1cccs1,KASTZRSAUAIDJB-IEZXYYGGSA-N
+rxn:1:11485:56187,Cc1cc(Cl)ccc1N(Cc1cn(CC(=O)N2CCCC3CCCCC32)nn1)S(=O)(=O)c1cccs1,VLYVHPHNNLCDSO-UHFFFAOYSA-N
+rxn:1:11485:60343,Cc1cc(Cl)ccc1N(Cc1cn(C2CCN(C(=O)C3CCCCC3)CC2)nn1)S(=O)(=O)c1cccs1,FGFWGTGPVBERHZ-UHFFFAOYSA-N
+rxn:1:11485:61171,Cc1cc(Cl)ccc1N(Cc1cn(C2CN(C(=O)CC3CCCCC3)C2)nn1)S(=O)(=O)c1cccs1,ZQAPGCYRCCSCNE-UHFFFAOYSA-N
+rxn:1:11507:49306,Cc1cc(N(Cc2cn([C@@H]3CCCC[C@H]3N3CCC(C)CC3)nn2)S(=O)(=O)c2cccs2)ccc1Br,VOWOYCLRFSYYKC-JWQCQUIFSA-N
+rxn:1:11509:61025,Cc1cccnc1N(Cc1cn(CC(=O)N2CCC(N3CCCC3)CC2)nn1)S(=O)(=O)c1cccs1,AKKQOAJHFNWLBL-UHFFFAOYSA-N
+rxn:1:11509:61361,Cc1cccnc1N(Cc1cn(C2CN(CC(=O)N3CCCCCC3)C2)nn1)S(=O)(=O)c1cccs1,NLXFQMDAAGAOBS-UHFFFAOYSA-N
+rxn:1:11515:49306,Cc1ccc(N(Cc2cn([C@@H]3CCCC[C@H]3N3CCC(C)CC3)nn2)S(=O)(=O)c2cccs2)c(F)c1,OAXSHZVXPGMQHL-JWQCQUIFSA-N
+rxn:1:12012:54832,COC1(CO)CCN(CCc2cn(CCC3C(c4cnc5[nH]cc([N+](=O)[O-])c5c4)C3(F)F)nn2)C1,FCRNRUQKHUIVFA-UHFFFAOYSA-N
+rxn:1:12:42983,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn(CC#Cc4cc([N+](=O)[O-])cnc4Cl)nn3)nn2)CC1,ZRGZIHPQAVZJCL-UHFFFAOYSA-N
+rxn:1:12:43126,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn(CC#Cc4cncc([N+](=O)[O-])c4N)nn3)nn2)CC1,KISDMGNASOENSJ-UHFFFAOYSA-N
+rxn:1:1520:61033,CCN(Cc1cn(CC(=O)N2CCN(C3CCCC3)CC2)nn1)S(=O)(=O)c1cccs1,CFXJZDMZALTPTE-UHFFFAOYSA-N
+rxn:1:16254:59744,Cc1ccc(S(=O)(=O)N2CCCC(n3cc(-c4cn(-c5ccccc5OC(C)C)nc4C4CCCCC4)nn3)C2)s1,AOPRWDDPHXUPCP-UHFFFAOYSA-N
+rxn:1:16978:50324,CC(C)CCn1ncc(-c2cn(CC3C(c4ccc([N+](=O)[O-])cn4)C3(F)F)nn2)c1C1CCCCC1,ZCFCWPVXHSNPDV-UHFFFAOYSA-N
+rxn:1:16987:50801,CCC(CC)n1ncc(-c2cn(CC3C(c4ccc([N+](=O)[O-])c(C)n4)C3(F)F)nn2)c1C1CCCCC1,OJIGEACACAHKKR-UHFFFAOYSA-N
+rxn:1:17733:50813,CCC(CC)n1nc(-c2cn(CC3C(c4cnc(O)c([N+](=O)[O-])c4)C3(F)F)nn2)cc1C1CCCCC1,QAAHWPURCSRDBW-UHFFFAOYSA-N
+rxn:1:17733:50814,CCC(CC)n1nc(-c2cn(CC3C(c4ccc(O)c([N+](=O)[O-])n4)C3(F)F)nn2)cc1C1CCCCC1,XLEPSRQECOGWFJ-UHFFFAOYSA-N
+rxn:1:17733:54102,CCC(CC)n1nc(-c2cn(CCC3C(c4ccc([N+](=O)[O-])nc4)C3(F)F)nn2)cc1C1CCCCC1,QEMLVMGVWGBRJY-UHFFFAOYSA-N
+rxn:1:17733:54104,CCC(CC)n1nc(-c2cn(CCC3C(c4cc([N+](=O)[O-])ccn4)C3(F)F)nn2)cc1C1CCCCC1,BNMOZSMDTWYHLB-UHFFFAOYSA-N
+rxn:1:17733:54105,CCC(CC)n1nc(-c2cn(CCC3C(c4ccc([N+](=O)[O-])cn4)C3(F)F)nn2)cc1C1CCCCC1,MSNWLCYYJAWBRK-UHFFFAOYSA-N
+rxn:1:17813:47072,CCC(=O)c1cc(-c2cn(CC(O)C(O)c3cnn(C(C)C)c3)nn2)c2c(c1)C(C1CCC1)C(=O)N2,JSZICECLLRWTSJ-UHFFFAOYSA-N
+rxn:1:20538:50931,CC(C1CCCCC1)n1nc(C2CC2)cc1-c1cn(CC2C(c3cc([N+](=O)[O-])cnc3N)C2(F)F)nn1,ZTHOMOFLDBCAEP-UHFFFAOYSA-N
+rxn:1:20538:51340,CC(C1CCCCC1)n1nc(C2CC2)cc1-c1cn(CC2C(c3n[nH]c4ccc([N+](=O)[O-])cc34)C2(F)F)nn1,JWEVMHBNMOZJDM-UHFFFAOYSA-N
+rxn:1:20538:51341,CC(C1CCCCC1)n1nc(C2CC2)cc1-c1cn(CC2C(c3n[nH]c4cc([N+](=O)[O-])ccc34)C2(F)F)nn1,IADHKUDIUHCYHE-UHFFFAOYSA-N
+rxn:1:20853:50443,CC(C1CCCC1)n1nc(C2CCC2)cc1-c1cn(CC2C(c3ccc([N+](=O)[O-])cc3)C2(F)F)nn1,XYBVIOVXEDCPPY-UHFFFAOYSA-N
+rxn:1:20854:50321,CC(C1CCCCC1)n1nc(C2CCC2)cc1-c1cn(CC2C(c3ccc([N+](=O)[O-])nc3)C2(F)F)nn1,YRNRZXPZQAEWIP-UHFFFAOYSA-N
+rxn:1:21149:50321,CC(C1CC1)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3ccc([N+](=O)[O-])nc3)C2(F)F)nn1,SUGGDPODUCQDKE-UHFFFAOYSA-N
+rxn:1:21313:60296,COc1cc(F)ccc1Cn1nc(C2CCCCC2)cc1-c1cn(CC2CCCN2S(=O)(=O)c2ccc(C)s2)nn1,BVAPVYSGSPROLT-UHFFFAOYSA-N
+rxn:1:21386:60296,COc1cc(Cl)ccc1Cn1nc(C2CCCCC2)cc1-c1cn(CC2CCCN2S(=O)(=O)c2ccc(C)s2)nn1,LEXRMXNUGSDRAK-UHFFFAOYSA-N
+rxn:1:21441:50324,CC(C)Cc1cc(-c2cn(CC3C(c4ccc([N+](=O)[O-])cn4)C3(F)F)nn2)n(C(C)C2CCCC2)n1,XYRDCLVAGAYOJF-UHFFFAOYSA-N
+rxn:1:21955:50323,CC(n1nc(C2CCCC2)cc1-c1cn(CC2C(c3cc([N+](=O)[O-])ccn3)C2(F)F)nn1)C1(C)CC1,GDBNKHALKIXSQY-UHFFFAOYSA-N
+rxn:1:22996:59584,CC(C)(C=C(F)B1OC(C)(C)C(C)(C)O1)n1cc(CO[N+](=O)[O-])nn1,OYKFRNSLNBXYJA-UHFFFAOYSA-N
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+rxn:1:23315:59013,CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2(O)c1cn(S(=O)(=O)c2ccccc2F)nn1,RTSMUYCBJYENEW-UHFFFAOYSA-N
+rxn:1:23315:62319,CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2(O)c1cn(-c2cc(F)cnc2Br)nn1,KUJGSXKFJGAFRJ-UHFFFAOYSA-N
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+rxn:1:29661:48539,Cc1ccc(C(O)C(O)CCn2cc(-c3cc(N4CCCC(C(F)(F)F)C4)ccc3[N+](=O)[O-])nn2)nn1,RLPMWWZUCOZTJS-UHFFFAOYSA-N
+rxn:1:29661:48541,Cc1cncc(C(O)C(O)CCn2cc(-c3cc(N4CCCC(C(F)(F)F)C4)ccc3[N+](=O)[O-])nn2)n1,OQXZFWZDMHZQIU-UHFFFAOYSA-N
+rxn:1:3128:59590,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1ccc(C(=O)N2CC(n3cc(-c4c([N+](=O)[O-])cnn4C)nn3)C2)s1,AMNQRSIUBSZIEA-UHFFFAOYSA-N
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