smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1nc(Cl)ccc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164759257 720976301 /nfs/dbraw/zinc/97/63/01/720976301.db2.gz ZEHQQVSSROCQRJ-AWEZNQCLSA-N 1 2 407.852 3.411 20 30 HGEDLO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164869549 721217749 /nfs/dbraw/zinc/21/77/49/721217749.db2.gz CVFSOXYJMYISDP-UHFFFAOYSA-N 1 2 419.863 3.422 20 30 HGEDLO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164869049 721219807 /nfs/dbraw/zinc/21/98/07/721219807.db2.gz AXLDFFSKLQSBMQ-UHFFFAOYSA-N 1 2 419.863 3.422 20 30 HGEDLO N#Cc1cnc(Cl)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164674432 719500671 /nfs/dbraw/zinc/50/06/71/719500671.db2.gz XHACWCAEDOCBLR-UHFFFAOYSA-N 1 2 401.873 3.012 20 30 HGEDLO N#Cc1cnc(Cl)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164674432 719500679 /nfs/dbraw/zinc/50/06/79/719500679.db2.gz XHACWCAEDOCBLR-UHFFFAOYSA-N 1 2 401.873 3.012 20 30 HGEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(C#N)cc(Cl)n1 ZINC001164721517 720313576 /nfs/dbraw/zinc/31/35/76/720313576.db2.gz HISJWENAPNISMY-HNNXBMFYSA-N 1 2 422.867 3.169 20 30 HGEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)ncc1C#N ZINC001164725525 720313718 /nfs/dbraw/zinc/31/37/18/720313718.db2.gz WPCRKCQNUARMJZ-MRXNPFEDSA-N 1 2 422.867 3.169 20 30 HGEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2c(C#N)cnc3cnc(Cl)cc32)CC1 ZINC001164916382 721813423 /nfs/dbraw/zinc/81/34/23/721813423.db2.gz HHCALASRCOXOIT-UHFFFAOYSA-N 1 2 407.909 3.101 20 30 HGEDLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(C#N)cc(Cl)n2)CC1 ZINC001164917935 721816382 /nfs/dbraw/zinc/81/63/82/721816382.db2.gz QYZUKJAHVSMFCN-UHFFFAOYSA-N 1 2 406.868 3.098 20 30 HGEDLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(C#N)cc(Cl)n2)CC1 ZINC001164917935 721816384 /nfs/dbraw/zinc/81/63/84/721816384.db2.gz QYZUKJAHVSMFCN-UHFFFAOYSA-N 1 2 406.868 3.098 20 30 HGEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(C#N)n1)CC2 ZINC001164658093 719351239 /nfs/dbraw/zinc/35/12/39/719351239.db2.gz DGKRUKDPZYKBGB-UHFFFAOYSA-N 1 2 413.529 3.351 20 30 HGEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(C#N)n1)CC2 ZINC001164658093 719351242 /nfs/dbraw/zinc/35/12/42/719351242.db2.gz DGKRUKDPZYKBGB-UHFFFAOYSA-N 1 2 413.529 3.351 20 30 HGEDLO N#Cc1cnc(Cl)cc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758982 720977599 /nfs/dbraw/zinc/97/75/99/720977599.db2.gz YBGWCRQAWOOQOE-CQSZACIVSA-N 1 2 407.852 3.411 20 30 HGEDLO CCCc1cc(C#N)c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1Cl ZINC001165011396 721706391 /nfs/dbraw/zinc/70/63/91/721706391.db2.gz SCMOIJBPSSQDSS-UHFFFAOYSA-N 1 2 401.946 3.401 20 30 HGEDLO CCCc1cc(C#N)c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1Cl ZINC001165011396 721706392 /nfs/dbraw/zinc/70/63/92/721706392.db2.gz SCMOIJBPSSQDSS-UHFFFAOYSA-N 1 2 401.946 3.401 20 30 HGEDLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2nc(Cl)ccc2C#N)CC1 ZINC001164916829 721816040 /nfs/dbraw/zinc/81/60/40/721816040.db2.gz HYBCTYSKTPBIOJ-UHFFFAOYSA-N 1 2 406.868 3.098 20 30 HGEDLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2nc(Cl)ccc2C#N)CC1 ZINC001164916829 721816041 /nfs/dbraw/zinc/81/60/41/721816041.db2.gz HYBCTYSKTPBIOJ-UHFFFAOYSA-N 1 2 406.868 3.098 20 30 HGEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C)nc1C#N)CC2 ZINC001164658033 719353001 /nfs/dbraw/zinc/35/30/01/719353001.db2.gz BNQQVWADQCIJQW-UHFFFAOYSA-N 1 2 413.529 3.351 20 30 HGEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C)nc1C#N)CC2 ZINC001164658033 719353002 /nfs/dbraw/zinc/35/30/02/719353002.db2.gz BNQQVWADQCIJQW-UHFFFAOYSA-N 1 2 413.529 3.351 20 30 HGEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccnc(Cl)c1C#N ZINC001164723356 720313079 /nfs/dbraw/zinc/31/30/79/720313079.db2.gz NZRHUFAUWGENQV-INIZCTEOSA-N 1 2 422.867 3.169 20 30 HGEDLO N#Cc1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc1Cl ZINC001164756502 720973157 /nfs/dbraw/zinc/97/31/57/720973157.db2.gz JJWFFHGESTZIEX-CQSZACIVSA-N 1 2 407.852 3.411 20 30 HGEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccnc(Cl)c1C#N ZINC001164723357 720312386 /nfs/dbraw/zinc/31/23/86/720312386.db2.gz NZRHUFAUWGENQV-MRXNPFEDSA-N 1 2 422.867 3.169 20 30 HGEDLO N#Cc1ccc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)nc1Cl ZINC001164870170 721217026 /nfs/dbraw/zinc/21/70/26/721217026.db2.gz GBDUJOCIKROKGY-UHFFFAOYSA-N 1 2 419.863 3.422 20 30 HGEDLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(Cl)ncc2C#N)CC1 ZINC001164917870 721816299 /nfs/dbraw/zinc/81/62/99/721816299.db2.gz PPERDYPHMFJRPR-UHFFFAOYSA-N 1 2 406.868 3.098 20 30 HGEDLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(Cl)ncc2C#N)CC1 ZINC001164917870 721816300 /nfs/dbraw/zinc/81/63/00/721816300.db2.gz PPERDYPHMFJRPR-UHFFFAOYSA-N 1 2 406.868 3.098 20 30 HGEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)o2)c1 ZINC001460690558 1126191445 /nfs/dbraw/zinc/19/14/45/1126191445.db2.gz KAZOVPGCNLZWKH-SJLPKXTDSA-N 1 2 402.376 3.232 20 30 HGEDLO N#Cc1c(Cl)ncnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672296 719497788 /nfs/dbraw/zinc/49/77/88/719497788.db2.gz IOLFVYRWKQHIJU-UHFFFAOYSA-N 1 2 401.873 3.012 20 30 HGEDLO N#Cc1c(Cl)ncnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672296 719497794 /nfs/dbraw/zinc/49/77/94/719497794.db2.gz IOLFVYRWKQHIJU-UHFFFAOYSA-N 1 2 401.873 3.012 20 30 HGEDLO N#Cc1ccc(Cl)nc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164756079 720978244 /nfs/dbraw/zinc/97/82/44/720978244.db2.gz DQRAXJFYBYGDII-AWEZNQCLSA-N 1 2 407.852 3.411 20 30 HGEDLO Cc1cnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c(C#C[Si](C)(C)C)c1 ZINC001165008586 721709303 /nfs/dbraw/zinc/70/93/03/721709303.db2.gz HOMDBOVCDHXQMI-UHFFFAOYSA-N 1 2 410.642 3.461 20 30 HGEDLO Cc1cnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c(C#C[Si](C)(C)C)c1 ZINC001165008586 721709313 /nfs/dbraw/zinc/70/93/13/721709313.db2.gz HOMDBOVCDHXQMI-UHFFFAOYSA-N 1 2 410.642 3.461 20 30 HGEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)cc1C#N ZINC001164726172 720315464 /nfs/dbraw/zinc/31/54/64/720315464.db2.gz YIKWLDYBKUBBJG-MRXNPFEDSA-N 1 2 422.867 3.169 20 30 HGEDLO N#Cc1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc1Cl ZINC001164756501 720972629 /nfs/dbraw/zinc/97/26/29/720972629.db2.gz JJWFFHGESTZIEX-AWEZNQCLSA-N 1 2 407.852 3.411 20 30 HGEDLO Cc1c(Cl)c(Cl)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1C#N ZINC001165008972 721697918 /nfs/dbraw/zinc/69/79/18/721697918.db2.gz MPXJPGLGCLGQQX-UHFFFAOYSA-N 1 2 408.337 3.411 20 30 HGEDLO Cc1c(Cl)c(Cl)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1C#N ZINC001165008972 721697920 /nfs/dbraw/zinc/69/79/20/721697920.db2.gz MPXJPGLGCLGQQX-UHFFFAOYSA-N 1 2 408.337 3.411 20 30 HGEDLO N#Cc1c(Cl)nccc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164755655 720973616 /nfs/dbraw/zinc/97/36/16/720973616.db2.gz BOJQRZGWVKGKQJ-CQSZACIVSA-N 1 2 407.852 3.411 20 30 HGEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)ncc1C#N)CC2 ZINC001164664210 719348119 /nfs/dbraw/zinc/34/81/19/719348119.db2.gz UMTLUGUEUFOKRK-UHFFFAOYSA-N 1 2 413.529 3.351 20 30 HGEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)ncc1C#N)CC2 ZINC001164664210 719348122 /nfs/dbraw/zinc/34/81/22/719348122.db2.gz UMTLUGUEUFOKRK-UHFFFAOYSA-N 1 2 413.529 3.351 20 30 HGEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)ccc1C#N ZINC001164723261 720313371 /nfs/dbraw/zinc/31/33/71/720313371.db2.gz MYRDRUOITXBIBI-OAHLLOKOSA-N 1 2 422.867 3.169 20 30 HGEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)c12 ZINC001164673392 719518748 /nfs/dbraw/zinc/51/87/48/719518748.db2.gz RPCXURISIQYUSY-UHFFFAOYSA-N 1 2 405.477 3.445 20 30 HGEDLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc(Cl)nc2C#N)CC1 ZINC001164918405 721814441 /nfs/dbraw/zinc/81/44/41/721814441.db2.gz WMJIZBCQOALNSI-UHFFFAOYSA-N 1 2 406.868 3.098 20 30 HGEDLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc(Cl)nc2C#N)CC1 ZINC001164918405 721814445 /nfs/dbraw/zinc/81/44/45/721814445.db2.gz WMJIZBCQOALNSI-UHFFFAOYSA-N 1 2 406.868 3.098 20 30 HGEDLO Cc1nc(CN2CCO[C@H]3CCN(c4[nH+]ccc5[nH]cc(C#N)c54)CC[C@H]32)cs1 ZINC001164988168 722184630 /nfs/dbraw/zinc/18/46/30/722184630.db2.gz MKWKESNGCIKLQP-MOPGFXCFSA-N 1 2 408.531 3.069 20 30 HGEDLO N#Cc1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)cnc1Cl ZINC001164755549 720976252 /nfs/dbraw/zinc/97/62/52/720976252.db2.gz AGNDYQLICSKPLX-AWEZNQCLSA-N 1 2 407.852 3.411 20 30 HGEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)o2)c1 ZINC001460690552 1126191451 /nfs/dbraw/zinc/19/14/51/1126191451.db2.gz KAZOVPGCNLZWKH-FUHWJXTLSA-N 1 2 402.376 3.232 20 30 HGEDLO COc1nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(F)cc1C#N ZINC001164671694 719521036 /nfs/dbraw/zinc/52/10/36/719521036.db2.gz HMXXQQSNQIEMIX-UHFFFAOYSA-N 1 2 414.456 3.111 20 30 HGEDLO COc1nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(F)cc1C#N ZINC001164671694 719521042 /nfs/dbraw/zinc/52/10/42/719521042.db2.gz HMXXQQSNQIEMIX-UHFFFAOYSA-N 1 2 414.456 3.111 20 30 HGEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(C#N)c1 ZINC001164721924 720313467 /nfs/dbraw/zinc/31/34/67/720313467.db2.gz IZDBCDJZYFCXKC-MRXNPFEDSA-N 1 2 422.867 3.169 20 30 HGEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc3c(cc1C#N)CCCC3(C)C)C2 ZINC001165010949 721721140 /nfs/dbraw/zinc/72/11/40/721721140.db2.gz LILZPSNKZSTGGB-UHFFFAOYSA-N 1 2 407.566 3.409 20 30 HGEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc3c(cc1C#N)CCCC3(C)C)C2 ZINC001165010949 721721145 /nfs/dbraw/zinc/72/11/45/721721145.db2.gz LILZPSNKZSTGGB-UHFFFAOYSA-N 1 2 407.566 3.409 20 30 HGEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)ncc1C#N ZINC001164725524 720314452 /nfs/dbraw/zinc/31/44/52/720314452.db2.gz WPCRKCQNUARMJZ-INIZCTEOSA-N 1 2 422.867 3.169 20 30 HGEDLO N#Cc1cc(Cl)nc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c1 ZINC001164755599 720978908 /nfs/dbraw/zinc/97/89/08/720978908.db2.gz BCCNVUVALLGPJN-HNNXBMFYSA-N 1 2 407.852 3.411 20 30 HGEDLO COc1cc(C(F)(F)N2CC[NH+](CCOc3ccccc3)CC2)c(C#N)c(Cl)n1 ZINC001165043938 721957692 /nfs/dbraw/zinc/95/76/92/721957692.db2.gz AIYKUVXGYOZJDR-UHFFFAOYSA-N 1 2 422.863 3.361 20 30 HGEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(C#N)c1 ZINC001164725436 720313803 /nfs/dbraw/zinc/31/38/03/720313803.db2.gz VKVMTNAGANIIIZ-INIZCTEOSA-N 1 2 422.867 3.169 20 30 HGEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)ccc1C#N ZINC001164723258 720314123 /nfs/dbraw/zinc/31/41/23/720314123.db2.gz MYRDRUOITXBIBI-HNNXBMFYSA-N 1 2 422.867 3.169 20 30 HGEDLO CSc1nc(Cl)c(C=NO)c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164646245 719308967 /nfs/dbraw/zinc/30/89/67/719308967.db2.gz CPHWRXBJEUHVOB-UHFFFAOYSA-N 1 2 423.974 3.062 20 30 HGEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc(C#N)c(C)n1)CC2 ZINC001164658504 719353004 /nfs/dbraw/zinc/35/30/04/719353004.db2.gz HTLNKNDXOMMFRD-UHFFFAOYSA-N 1 2 413.529 3.351 20 30 HGEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc(C#N)c(C)n1)CC2 ZINC001164658504 719353005 /nfs/dbraw/zinc/35/30/05/719353005.db2.gz HTLNKNDXOMMFRD-UHFFFAOYSA-N 1 2 413.529 3.351 20 30 HGEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)o2)c1 ZINC001460690545 1126191401 /nfs/dbraw/zinc/19/14/01/1126191401.db2.gz KAZOVPGCNLZWKH-AEFFLSMTSA-N 1 2 402.376 3.232 20 30 HGEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(C#N)c1 ZINC001164725438 720313430 /nfs/dbraw/zinc/31/34/30/720313430.db2.gz VKVMTNAGANIIIZ-MRXNPFEDSA-N 1 2 422.867 3.169 20 30 HGEDLO N#Cc1ccc(Cl)nc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164756080 720977564 /nfs/dbraw/zinc/97/75/64/720977564.db2.gz DQRAXJFYBYGDII-CQSZACIVSA-N 1 2 407.852 3.411 20 30 HGEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C#N)nc(C)n1)CC2 ZINC001164664889 719355923 /nfs/dbraw/zinc/35/59/23/719355923.db2.gz RPAGVCUIWWVCCX-UHFFFAOYSA-N 1 2 413.529 3.351 20 30 HGEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C#N)nc(C)n1)CC2 ZINC001164664889 719355927 /nfs/dbraw/zinc/35/59/27/719355927.db2.gz RPAGVCUIWWVCCX-UHFFFAOYSA-N 1 2 413.529 3.351 20 30 HGEDLO N#Cc1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)cnc1Cl ZINC001164755550 720976545 /nfs/dbraw/zinc/97/65/45/720976545.db2.gz AGNDYQLICSKPLX-CQSZACIVSA-N 1 2 407.852 3.411 20 30 HGEDLO N#Cc1cnc(Cl)cc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758981 720978016 /nfs/dbraw/zinc/97/80/16/720978016.db2.gz YBGWCRQAWOOQOE-AWEZNQCLSA-N 1 2 407.852 3.411 20 30 HGEDLO N#Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c1 ZINC001164870102 721217919 /nfs/dbraw/zinc/21/79/19/721217919.db2.gz FIJXYIWKKNEKES-UHFFFAOYSA-N 1 2 419.863 3.422 20 30 HGEDLO Cc1nc(CN2CCO[C@H]3CCN(c4[nH+]ccc5[nH]cc(C#N)c54)CC[C@@H]32)cs1 ZINC001164988169 722184603 /nfs/dbraw/zinc/18/46/03/722184603.db2.gz MKWKESNGCIKLQP-OALUTQOASA-N 1 2 408.531 3.069 20 30 HGEDLO N#Cc1c(Cl)nccc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164755654 720974622 /nfs/dbraw/zinc/97/46/22/720974622.db2.gz BOJQRZGWVKGKQJ-AWEZNQCLSA-N 1 2 407.852 3.411 20 30 HGEDLO N#Cc1cc(Cl)ncc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164757259 720978588 /nfs/dbraw/zinc/97/85/88/720978588.db2.gz NSPBEDDJJWAHFV-CQSZACIVSA-N 1 2 407.852 3.411 20 30 HGEDLO Cc1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(C#N)c(C)c1Cl ZINC001164944959 721969261 /nfs/dbraw/zinc/96/92/61/721969261.db2.gz KWJUORAVTKMRLB-UHFFFAOYSA-N 1 2 423.948 3.195 20 30 HGEDLO Cc1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(C#N)c(C)c1Cl ZINC001164944959 721969263 /nfs/dbraw/zinc/96/92/63/721969263.db2.gz KWJUORAVTKMRLB-UHFFFAOYSA-N 1 2 423.948 3.195 20 30 HGEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)o2)c1 ZINC001460690567 1126191421 /nfs/dbraw/zinc/19/14/21/1126191421.db2.gz KAZOVPGCNLZWKH-WMZOPIPTSA-N 1 2 402.376 3.232 20 30 HGEDLO C=CCOc1cc(C)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164671268 719509010 /nfs/dbraw/zinc/50/90/10/719509010.db2.gz DESYJEFKUPPPJS-UHFFFAOYSA-N 1 2 412.509 3.360 20 30 HGEDLO C=CCOc1cc(C)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164671268 719509016 /nfs/dbraw/zinc/50/90/16/719509016.db2.gz DESYJEFKUPPPJS-UHFFFAOYSA-N 1 2 412.509 3.360 20 30 HGEDLO Cc1nc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1C#N ZINC001164674472 719510714 /nfs/dbraw/zinc/51/07/14/719510714.db2.gz YAKOFBCLJSVCRY-UHFFFAOYSA-N 1 2 415.900 3.321 20 30 HGEDLO Cc1nc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1C#N ZINC001164674472 719510719 /nfs/dbraw/zinc/51/07/19/719510719.db2.gz YAKOFBCLJSVCRY-UHFFFAOYSA-N 1 2 415.900 3.321 20 30 HGEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(Cl)nc1C#N ZINC001164723353 720312269 /nfs/dbraw/zinc/31/22/69/720312269.db2.gz NVXAGGZUUDRFBR-MRXNPFEDSA-N 1 2 422.867 3.169 20 30 HGEDLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(Cl)nc(C#N)c2)CC1 ZINC001164916280 721815229 /nfs/dbraw/zinc/81/52/29/721815229.db2.gz BSKQGTFNMHWCDN-UHFFFAOYSA-N 1 2 406.868 3.098 20 30 HGEDLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(Cl)nc(C#N)c2)CC1 ZINC001164916280 721815232 /nfs/dbraw/zinc/81/52/32/721815232.db2.gz BSKQGTFNMHWCDN-UHFFFAOYSA-N 1 2 406.868 3.098 20 30 HGEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(Cl)nc1C#N ZINC001164723352 720312825 /nfs/dbraw/zinc/31/28/25/720312825.db2.gz NVXAGGZUUDRFBR-INIZCTEOSA-N 1 2 422.867 3.169 20 30 HGEDLO N#Cc1nc(Cl)ccc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164759258 720975939 /nfs/dbraw/zinc/97/59/39/720975939.db2.gz ZEHQQVSSROCQRJ-CQSZACIVSA-N 1 2 407.852 3.411 20 30 HGEDLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccnc(Cl)c2C#N)CC1 ZINC001164919587 721813040 /nfs/dbraw/zinc/81/30/40/721813040.db2.gz ZTFHYJNDYMJHDD-UHFFFAOYSA-N 1 2 406.868 3.098 20 30 HGEDLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccnc(Cl)c2C#N)CC1 ZINC001164919587 721813041 /nfs/dbraw/zinc/81/30/41/721813041.db2.gz ZTFHYJNDYMJHDD-UHFFFAOYSA-N 1 2 406.868 3.098 20 30 HGEDLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cnc(Cl)cc2C#N)CC1 ZINC001164917024 721817915 /nfs/dbraw/zinc/81/79/15/721817915.db2.gz AIQGOKFEIQBBQP-UHFFFAOYSA-N 1 2 406.868 3.098 20 30 HGEDLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cnc(Cl)cc2C#N)CC1 ZINC001164917024 721817917 /nfs/dbraw/zinc/81/79/17/721817917.db2.gz AIQGOKFEIQBBQP-UHFFFAOYSA-N 1 2 406.868 3.098 20 30 HGEDLO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]ccc5[nH]cc(C#N)c54)CC[C@@H]32)cs1 ZINC001164988170 722184596 /nfs/dbraw/zinc/18/45/96/722184596.db2.gz MKWKESNGCIKLQP-RBUKOAKNSA-N 1 2 408.531 3.069 20 30 HGEDLO N#Cc1cc2nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)ccc2[nH]1 ZINC001164670564 719521003 /nfs/dbraw/zinc/52/10/03/719521003.db2.gz DNEIVEAGUFEEDJ-UHFFFAOYSA-N 1 2 405.477 3.445 20 30 HGEDLO N#Cc1cc2nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)ccc2[nH]1 ZINC001164670564 719521013 /nfs/dbraw/zinc/52/10/13/719521013.db2.gz DNEIVEAGUFEEDJ-UHFFFAOYSA-N 1 2 405.477 3.445 20 30 HGEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(C#N)c(Cl)n1 ZINC001164721530 720311770 /nfs/dbraw/zinc/31/17/70/720311770.db2.gz HLWDYERMRVSUEF-OAHLLOKOSA-N 1 2 422.867 3.169 20 30 HGEDLO C=CC[NH+]1CCN(C(F)(F)Oc2cccc(COc3cncc(Cl)n3)c2)CC1 ZINC001165035867 721872930 /nfs/dbraw/zinc/87/29/30/721872930.db2.gz XNEZCVUDOXEYBB-UHFFFAOYSA-N 1 2 410.852 3.442 20 30 HGEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(CC#N)n1)CC2 ZINC001164659936 719353401 /nfs/dbraw/zinc/35/34/01/719353401.db2.gz SPOSSHHKKQFUMH-UHFFFAOYSA-N 1 2 413.529 3.237 20 30 HGEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(CC#N)n1)CC2 ZINC001164659936 719353404 /nfs/dbraw/zinc/35/34/04/719353404.db2.gz SPOSSHHKKQFUMH-UHFFFAOYSA-N 1 2 413.529 3.237 20 30 HGEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(C#N)cc(Cl)n1 ZINC001164721518 720314426 /nfs/dbraw/zinc/31/44/26/720314426.db2.gz HISJWENAPNISMY-OAHLLOKOSA-N 1 2 422.867 3.169 20 30 HGEDLO N#Cc1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)cc(Cl)n1 ZINC001164757231 720976870 /nfs/dbraw/zinc/97/68/70/720976870.db2.gz NGVKOANFTOXNBM-AWEZNQCLSA-N 1 2 407.852 3.411 20 30 HGEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)cc1C#N ZINC001164726170 720314910 /nfs/dbraw/zinc/31/49/10/720314910.db2.gz YIKWLDYBKUBBJG-INIZCTEOSA-N 1 2 422.867 3.169 20 30 HGEDLO N#Cc1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)cc(Cl)n1 ZINC001164757232 720976410 /nfs/dbraw/zinc/97/64/10/720976410.db2.gz NGVKOANFTOXNBM-CQSZACIVSA-N 1 2 407.852 3.411 20 30 HGEDLO N#Cc1cc(Cl)ncc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164757258 720977764 /nfs/dbraw/zinc/97/77/64/720977764.db2.gz NSPBEDDJJWAHFV-AWEZNQCLSA-N 1 2 407.852 3.411 20 30 HGEDLO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164870668 721218822 /nfs/dbraw/zinc/21/88/22/721218822.db2.gz GZHYCGMFHKQRPA-UHFFFAOYSA-N 1 2 419.863 3.422 20 30 HGEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C#N)nc1C)CC2 ZINC001164658991 719352992 /nfs/dbraw/zinc/35/29/92/719352992.db2.gz OVSFCRUXRMXGPG-UHFFFAOYSA-N 1 2 413.529 3.351 20 30 HGEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C#N)nc1C)CC2 ZINC001164658991 719352993 /nfs/dbraw/zinc/35/29/93/719352993.db2.gz OVSFCRUXRMXGPG-UHFFFAOYSA-N 1 2 413.529 3.351 20 30 HGEDLO N#Cc1cc(Cl)nc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c1 ZINC001164755601 720977444 /nfs/dbraw/zinc/97/74/44/720977444.db2.gz BCCNVUVALLGPJN-OAHLLOKOSA-N 1 2 407.852 3.411 20 30 HGEDLO N#Cc1c(Cl)nccc1C(F)(F)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164870687 721218118 /nfs/dbraw/zinc/21/81/18/721218118.db2.gz HBDXWQNSAMHDQF-UHFFFAOYSA-N 1 2 419.863 3.422 20 30 HGEDLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c(C#N)c2)CC1 ZINC001164916462 721815774 /nfs/dbraw/zinc/81/57/74/721815774.db2.gz DYPLZUXFQUHRMU-UHFFFAOYSA-N 1 2 406.868 3.098 20 30 HGEDLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c(C#N)c2)CC1 ZINC001164916462 721815776 /nfs/dbraw/zinc/81/57/76/721815776.db2.gz DYPLZUXFQUHRMU-UHFFFAOYSA-N 1 2 406.868 3.098 20 30 HGEDLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc(C#N)c(Cl)n2)CC1 ZINC001164916394 721812663 /nfs/dbraw/zinc/81/26/63/721812663.db2.gz HIWTYTILSXDTQY-UHFFFAOYSA-N 1 2 406.868 3.098 20 30 HGEDLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc(C#N)c(Cl)n2)CC1 ZINC001164916394 721812664 /nfs/dbraw/zinc/81/26/64/721812664.db2.gz HIWTYTILSXDTQY-UHFFFAOYSA-N 1 2 406.868 3.098 20 30 HGEDLO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]ccc5[nH]cc(C#N)c54)CC[C@H]32)cs1 ZINC001164988171 722184635 /nfs/dbraw/zinc/18/46/35/722184635.db2.gz MKWKESNGCIKLQP-RTBURBONSA-N 1 2 408.531 3.069 20 30 HGEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(C#N)c(Cl)n1 ZINC001164721528 720310984 /nfs/dbraw/zinc/31/09/84/720310984.db2.gz HLWDYERMRVSUEF-HNNXBMFYSA-N 1 2 422.867 3.169 20 30 HGEDLO N#Cc1cc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)cc(Cl)n1 ZINC001164872829 721218234 /nfs/dbraw/zinc/21/82/34/721218234.db2.gz OMGUJVMANINPCP-UHFFFAOYSA-N 1 2 419.863 3.422 20 30 HGEDLO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164870068 721218324 /nfs/dbraw/zinc/21/83/24/721218324.db2.gz FAHZWVMUZRMHAC-UHFFFAOYSA-N 1 2 419.863 3.422 20 30 HGEDLO N#Cc1ncc(Cl)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164671291 719497825 /nfs/dbraw/zinc/49/78/25/719497825.db2.gz DPEWQSZEPKHERN-UHFFFAOYSA-N 1 2 401.873 3.012 20 30 HGEDLO N#Cc1ncc(Cl)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164671291 719497828 /nfs/dbraw/zinc/49/78/28/719497828.db2.gz DPEWQSZEPKHERN-UHFFFAOYSA-N 1 2 401.873 3.012 20 30 HGEDLO N#Cc1c[nH]c2nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)ccc12 ZINC001164673386 719512560 /nfs/dbraw/zinc/51/25/60/719512560.db2.gz RENVDQAWKRUDIB-UHFFFAOYSA-N 1 2 405.477 3.445 20 30 HGEDLO N#Cc1c[nH]c2nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)ccc12 ZINC001164673386 719512566 /nfs/dbraw/zinc/51/25/66/719512566.db2.gz RENVDQAWKRUDIB-UHFFFAOYSA-N 1 2 405.477 3.445 20 30 HGEDLO C=CCNC(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672751 719521066 /nfs/dbraw/zinc/52/10/66/719521066.db2.gz NKQYACHQKKRVJU-UHFFFAOYSA-N 1 2 424.520 3.008 20 30 HGEDLO C=CCNC(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672751 719521078 /nfs/dbraw/zinc/52/10/78/719521078.db2.gz NKQYACHQKKRVJU-UHFFFAOYSA-N 1 2 424.520 3.008 20 30 HGEDLO N#Cc1cc2c(nc1N1CCC3(CC1)COCC[N@H+]3Cc1ccc(F)cc1)CCC2 ZINC001164670237 719521314 /nfs/dbraw/zinc/52/13/14/719521314.db2.gz BYAPPPVTTZJUKX-UHFFFAOYSA-N 1 2 406.505 3.452 20 30 HGEDLO N#Cc1cc2c(nc1N1CCC3(CC1)COCC[N@@H+]3Cc1ccc(F)cc1)CCC2 ZINC001164670237 719521321 /nfs/dbraw/zinc/52/13/21/719521321.db2.gz BYAPPPVTTZJUKX-UHFFFAOYSA-N 1 2 406.505 3.452 20 30 HGEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(C#N)c1 ZINC001164721922 720313913 /nfs/dbraw/zinc/31/39/13/720313913.db2.gz IZDBCDJZYFCXKC-INIZCTEOSA-N 1 2 422.867 3.169 20 30 HGEDLO CC(C)c1ccc(C#N)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945097 721969949 /nfs/dbraw/zinc/96/99/49/721969949.db2.gz OTVKVYDNYWTYHK-UHFFFAOYSA-N 1 2 403.530 3.048 20 30 HGEDLO CC(C)c1ccc(C#N)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945097 721969952 /nfs/dbraw/zinc/96/99/52/721969952.db2.gz OTVKVYDNYWTYHK-UHFFFAOYSA-N 1 2 403.530 3.048 20 30 HGEDLO