smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)Cc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)cc1 ZINC000072126376 203164944 /nfs/dbraw/zinc/16/49/44/203164944.db2.gz ABHCQGBEUIEUJC-QFIPXVFZSA-N 2 1 333.479 4.347 50 30 EIEAMP Cc1c[nH+]c(C[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)n1C(C)C ZINC000169791970 1036340519 /nfs/dbraw/zinc/34/05/19/1036340519.db2.gz VVNKNXSHCOIXHU-FQEVSTJZSA-N 2 1 336.483 4.099 50 30 EIEAMP Cc1c[nH+]c(C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)n1C(C)C ZINC000169791970 1036340537 /nfs/dbraw/zinc/34/05/37/1036340537.db2.gz VVNKNXSHCOIXHU-FQEVSTJZSA-N 2 1 336.483 4.099 50 30 EIEAMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000047778180 564029707 /nfs/dbraw/zinc/02/97/07/564029707.db2.gz BPDPIAMBMDFSDW-KDURUIRLSA-N 2 1 347.506 4.326 50 30 EIEAMP C[NH+](C)Cc1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2C#N)cc1 ZINC000072126377 203165053 /nfs/dbraw/zinc/16/50/53/203165053.db2.gz ABHCQGBEUIEUJC-JOCHJYFZSA-N 2 1 333.479 4.347 50 30 EIEAMP CC[NH+](CCCCCCCC[N@H+](CC)C[C@H](C)C#N)C[C@H](C)C#N ZINC000106922691 564026772 /nfs/dbraw/zinc/02/67/72/564026772.db2.gz XDCNHHGFBNUKHA-WOJBJXKFSA-N 2 1 334.552 4.290 50 30 EIEAMP CC[NH+](CCCCCCCC[N@H+](CC)C[C@@H](C)C#N)C[C@@H](C)C#N ZINC000072309122 568415082 /nfs/dbraw/zinc/41/50/82/568415082.db2.gz XDCNHHGFBNUKHA-PMACEKPBSA-N 2 1 334.552 4.290 50 30 EIEAMP Cc1c[nH+]c(C2CCC2)n1C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000575547514 1030436412 /nfs/dbraw/zinc/43/64/12/1030436412.db2.gz GTQICZQEFSXXEP-FQEVSTJZSA-N 2 1 348.494 4.243 50 30 EIEAMP Cc1c[nH+]c(C2CCC2)n1C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000575547514 1030436427 /nfs/dbraw/zinc/43/64/27/1030436427.db2.gz GTQICZQEFSXXEP-FQEVSTJZSA-N 2 1 348.494 4.243 50 30 EIEAMP Cc1c[nH+]c(C[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)n1C(C)C ZINC000169791971 1036341877 /nfs/dbraw/zinc/34/18/77/1036341877.db2.gz VVNKNXSHCOIXHU-HXUWFJFHSA-N 2 1 336.483 4.099 50 30 EIEAMP Cc1c[nH+]c(C[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)n1C(C)C ZINC000169791971 1036341894 /nfs/dbraw/zinc/34/18/94/1036341894.db2.gz VVNKNXSHCOIXHU-HXUWFJFHSA-N 2 1 336.483 4.099 50 30 EIEAMP CC1(C)Cc2c(C#N)c(/[NH+]=C/N3CCCCCC3)sc2C(C)(C)[NH2+]1 ZINC000005033772 210370361 /nfs/dbraw/zinc/37/03/61/210370361.db2.gz RDTAVHSWBUZPEO-FYJGNVAPSA-N 2 1 344.528 4.315 50 30 EIEAMP C[C@H](C#N)CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000245380960 564169161 /nfs/dbraw/zinc/16/91/61/564169161.db2.gz XKAPFDIMCVLRIR-QEUVDIPISA-N 2 1 327.516 4.157 50 30 EIEAMP C[C@H](C#N)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000245380960 564169162 /nfs/dbraw/zinc/16/91/62/564169162.db2.gz XKAPFDIMCVLRIR-QEUVDIPISA-N 2 1 327.516 4.157 50 30 EIEAMP C[C@H](C#N)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000245380960 564169163 /nfs/dbraw/zinc/16/91/63/564169163.db2.gz XKAPFDIMCVLRIR-QEUVDIPISA-N 2 1 327.516 4.157 50 30 EIEAMP Cc1c[nH+]c(C[C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)n1C(C)C ZINC000581816444 1060023571 /nfs/dbraw/zinc/02/35/71/1060023571.db2.gz CPAOEZTUVBBJLU-HXUWFJFHSA-N 2 1 336.483 4.099 50 30 EIEAMP Cc1c[nH+]c(C[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1C(C)C ZINC000581816444 1060023589 /nfs/dbraw/zinc/02/35/89/1060023589.db2.gz CPAOEZTUVBBJLU-HXUWFJFHSA-N 2 1 336.483 4.099 50 30 EIEAMP C[C@H](C#N)CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000013509653 563926434 /nfs/dbraw/zinc/92/64/34/563926434.db2.gz XKAPFDIMCVLRIR-CTAFRAEOSA-N 2 1 327.516 4.157 50 30 EIEAMP C[C@H](C#N)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000013509653 563926436 /nfs/dbraw/zinc/92/64/36/563926436.db2.gz XKAPFDIMCVLRIR-CTAFRAEOSA-N 2 1 327.516 4.157 50 30 EIEAMP C[C@H](C#N)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000013509653 563926438 /nfs/dbraw/zinc/92/64/38/563926438.db2.gz XKAPFDIMCVLRIR-CTAFRAEOSA-N 2 1 327.516 4.157 50 30 EIEAMP CC[NH+](CCCCCCCC[N@H+](CC)C[C@H](C)C#N)C[C@@H](C)C#N ZINC000106922690 564026751 /nfs/dbraw/zinc/02/67/51/564026751.db2.gz XDCNHHGFBNUKHA-BGYRXZFFSA-N 2 1 334.552 4.290 50 30 EIEAMP CC[NH+](CCCCCCCC[N@H+](CC)C[C@@H](C)C#N)C[C@H](C)C#N ZINC000106922690 564026752 /nfs/dbraw/zinc/02/67/52/564026752.db2.gz XDCNHHGFBNUKHA-BGYRXZFFSA-N 2 1 334.552 4.290 50 30 EIEAMP CC[NH+](CCCCCCCC[N@@H+](CC)C[C@@H](C)C#N)C[C@H](C)C#N ZINC000106922690 564026753 /nfs/dbraw/zinc/02/67/53/564026753.db2.gz XDCNHHGFBNUKHA-BGYRXZFFSA-N 2 1 334.552 4.290 50 30 EIEAMP Cc1c[nH+]c(C2CCC2)n1C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000575547515 1030437716 /nfs/dbraw/zinc/43/77/16/1030437716.db2.gz GTQICZQEFSXXEP-HXUWFJFHSA-N 2 1 348.494 4.243 50 30 EIEAMP Cc1c[nH+]c(C2CCC2)n1C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000575547515 1030437776 /nfs/dbraw/zinc/43/77/76/1030437776.db2.gz GTQICZQEFSXXEP-HXUWFJFHSA-N 2 1 348.494 4.243 50 30 EIEAMP Cc1c[nH+]c(C[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)n1C(C)C ZINC000581816443 1060022743 /nfs/dbraw/zinc/02/27/43/1060022743.db2.gz CPAOEZTUVBBJLU-FQEVSTJZSA-N 2 1 336.483 4.099 50 30 EIEAMP Cc1c[nH+]c(C[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1C(C)C ZINC000581816443 1060022763 /nfs/dbraw/zinc/02/27/63/1060022763.db2.gz CPAOEZTUVBBJLU-FQEVSTJZSA-N 2 1 336.483 4.099 50 30 EIEAMP C[C@H](C#N)CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000245380962 564169151 /nfs/dbraw/zinc/16/91/51/564169151.db2.gz XKAPFDIMCVLRIR-YOUFYPILSA-N 2 1 327.516 4.157 50 30 EIEAMP C[C@H](C#N)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000245380962 564169152 /nfs/dbraw/zinc/16/91/52/564169152.db2.gz XKAPFDIMCVLRIR-YOUFYPILSA-N 2 1 327.516 4.157 50 30 EIEAMP C[C@H](C#N)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000245380962 564169153 /nfs/dbraw/zinc/16/91/53/564169153.db2.gz XKAPFDIMCVLRIR-YOUFYPILSA-N 2 1 327.516 4.157 50 30 EIEAMP C[C@H](C#N)CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000245380961 564169174 /nfs/dbraw/zinc/16/91/74/564169174.db2.gz XKAPFDIMCVLRIR-VNYTWHDVSA-N 2 1 327.516 4.157 50 30 EIEAMP C[C@H](C#N)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000245380961 564169175 /nfs/dbraw/zinc/16/91/75/564169175.db2.gz XKAPFDIMCVLRIR-VNYTWHDVSA-N 2 1 327.516 4.157 50 30 EIEAMP C[C@H](C#N)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000245380961 564169176 /nfs/dbraw/zinc/16/91/76/564169176.db2.gz XKAPFDIMCVLRIR-VNYTWHDVSA-N 2 1 327.516 4.157 50 30 EIEAMP C=C(C)COc1ccccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1C ZINC000055568691 518623582 /nfs/dbraw/zinc/62/35/82/518623582.db2.gz MGZMEXKNMBLJRZ-UHFFFAOYSA-N 2 1 347.462 4.425 50 30 EIEAMP CC1(C)Cc2c(C#N)c([NH+]=CN3CCCCCC3)sc2C(C)(C)[NH2+]1 ZINC000013113849 564100493 /nfs/dbraw/zinc/10/04/93/564100493.db2.gz RDTAVHSWBUZPEO-UHFFFAOYSA-N 2 1 344.528 4.315 50 30 EIEAMP