smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH2+]c1cccc(=NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)[nH]1	ZINC000040949509	205075541	/nfs/dbraw/zinc/07/55/41/205075541.db2.gz	HVYFTVFIEUKSKZ-UHFFFAOYSA-N	1	2	378.457	3.275	1	30		GGEFLO
C=CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccc(C#N)cn2)CC1	ZINC000062241937	209122144	/nfs/dbraw/zinc/12/21/44/209122144.db2.gz	JSGWRVWXKJDFER-UHFFFAOYSA-N	1	2	381.867	3.167	1	30		GGEFLO
C[NH+]=C(Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@]1(C)C=C(C(F)(F)F)NN1	ZINC000028821054	207349134	/nfs/dbraw/zinc/34/91/34/207349134.db2.gz	WADHXQUGXSYCSH-CYBMUJFWSA-N	1	2	377.292	3.497	1	30		GGEFLO
N#CCCCn1c2ccccc2[nH+]c1Cn1c2ccccc2c(=O)n(C2CC2)c1=O	ZINC000028824474	207349679	/nfs/dbraw/zinc/34/96/79/207349679.db2.gz	KOZSNNUPDRXPEN-UHFFFAOYSA-N	1	2	399.454	3.200	1	30		GGEFLO
COc1ccc(C#Cc2cccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2)cc1	ZINC000066259875	209136456	/nfs/dbraw/zinc/13/64/56/209136456.db2.gz	NJOUYROALUIOFM-UHFFFAOYSA-N	1	2	397.478	3.452	1	30		GGEFLO
CC(C)[C@@H](C(=O)OC(C)(C)C)[N@H+](C)[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O	ZINC000096892366	211349530	/nfs/dbraw/zinc/34/95/30/211349530.db2.gz	IJRNJILITQTTQC-GBESFXJTSA-N	1	2	388.508	3.429	1	30		GGEFLO
CC(C)[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O	ZINC000096892366	211349533	/nfs/dbraw/zinc/34/95/33/211349533.db2.gz	IJRNJILITQTTQC-GBESFXJTSA-N	1	2	388.508	3.429	1	30		GGEFLO
CC(C)[C@@H](C(=O)OC(C)(C)C)[N@H+](C)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O	ZINC000096892365	211349026	/nfs/dbraw/zinc/34/90/26/211349026.db2.gz	IJRNJILITQTTQC-OTWHNJEPSA-N	1	2	388.508	3.429	1	30		GGEFLO
CC(C)[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O	ZINC000096892365	211349028	/nfs/dbraw/zinc/34/90/28/211349028.db2.gz	IJRNJILITQTTQC-OTWHNJEPSA-N	1	2	388.508	3.429	1	30		GGEFLO
C=CCc1c2cc(F)ccc2n(C2N=NC(=S)N[C@@H]2[NH3+])c1-c1ccccc1	ZINC000169346622	212113786	/nfs/dbraw/zinc/11/37/86/212113786.db2.gz	POJBOOLBNFINOV-SFHVURJKSA-N	1	2	379.464	3.100	1	30		GGEFLO
C=CCc1c2cc(F)ccc2n(C2N=NC(=S)N[C@H]2[NH3+])c1-c1ccccc1	ZINC000169346623	212112854	/nfs/dbraw/zinc/11/28/54/212112854.db2.gz	POJBOOLBNFINOV-GOSISDBHSA-N	1	2	379.464	3.100	1	30		GGEFLO
C=CCNC(=O)[C@@H](CCCCC)N(CCCn1cc[nH+]c1)C(=O)c1cccnc1	ZINC000028952952	212109330	/nfs/dbraw/zinc/10/93/30/212109330.db2.gz	RKYUEMJBXKMAKX-HXUWFJFHSA-N	1	2	397.523	3.062	1	30		GGEFLO
C#CCn1c[nH+]c(C[C@@H](CO)Nc2nccc(-c3cc4ccccc4s3)n2)c1	ZINC000045390847	206194855	/nfs/dbraw/zinc/19/48/55/206194855.db2.gz	MYGFWENQRHGWCT-KRWDZBQOSA-N	1	2	389.484	3.204	1	30		GGEFLO
C=CCNC(=O)[C@H](CCCCC)N(CCCn1cc[nH+]c1)C(=O)c1cccnc1	ZINC000028952954	206254869	/nfs/dbraw/zinc/25/48/69/206254869.db2.gz	RKYUEMJBXKMAKX-FQEVSTJZSA-N	1	2	397.523	3.062	1	30		GGEFLO
CCCCOc1ccc2nc(NC(=O)c3csc(NC(N)=[NH2+])n3)sc2c1	ZINC000026150987	207310350	/nfs/dbraw/zinc/31/03/50/207310350.db2.gz	VEDUWHQSWSKRBI-UHFFFAOYSA-N	1	2	390.494	3.089	1	30		GGEFLO
C[NH+]=C(Nc1ccc(C#N)c(C(F)(F)F)c1)[C@]1(C)C=C(C(F)(F)F)NN1	ZINC000028821056	207350248	/nfs/dbraw/zinc/35/02/48/207350248.db2.gz	WADHXQUGXSYCSH-ZDUSSCGKSA-N	1	2	377.292	3.497	1	30		GGEFLO
Clc1cc(-c2nc3ccccn3c2C=NNC2=[NH+]CCN2)c(Cl)s1	ZINC000073067708	208032580	/nfs/dbraw/zinc/03/25/80/208032580.db2.gz	ZEDGGXNENVOOSF-DNTJNYDQSA-N	1	2	379.276	3.252	1	30		GGEFLO
CC(C)[C@H](C(=O)OC(C)(C)C)[N@H+](C)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O	ZINC000096901771	208325476	/nfs/dbraw/zinc/32/54/76/208325476.db2.gz	IJRNJILITQTTQC-QRVBRYPASA-N	1	2	388.508	3.429	1	30		GGEFLO
CC(C)[C@H](C(=O)OC(C)(C)C)[N@@H+](C)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O	ZINC000096901771	208325483	/nfs/dbraw/zinc/32/54/83/208325483.db2.gz	IJRNJILITQTTQC-QRVBRYPASA-N	1	2	388.508	3.429	1	30		GGEFLO
CO/[NH+]=C/c1c(N)ncnc1Nc1ccc2c(c1)CCN2Cc1cccc(F)c1	ZINC000029044431	581096132	/nfs/dbraw/zinc/09/61/32/581096132.db2.gz	IHENPELYHGNHBT-KBKYJPHKSA-N	1	2	392.438	3.485	1	30		GGEFLO
COc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C#Cc1ccccc1	ZINC000066259915	209135474	/nfs/dbraw/zinc/13/54/74/209135474.db2.gz	OGWQBBWUAWYTIK-UHFFFAOYSA-N	1	2	397.478	3.452	1	30		GGEFLO
COc1cccc(C#Cc2cccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2)c1	ZINC000066259873	212077102	/nfs/dbraw/zinc/07/71/02/212077102.db2.gz	MIDALIZEHITHJZ-UHFFFAOYSA-N	1	2	397.478	3.452	1	30		GGEFLO
Nc1cccc(C#Cc2cccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2)c1	ZINC000066259874	212078025	/nfs/dbraw/zinc/07/80/25/212078025.db2.gz	CBLQQYHSQLWVKU-UHFFFAOYSA-N	1	2	382.467	3.026	1	30		GGEFLO
N#Cc1ccc(NC(=O)C[NH+]2CCC(N3C(=O)OCc4ccccc43)CC2)cc1	ZINC000013612798	221276876	/nfs/dbraw/zinc/27/68/76/221276876.db2.gz	ZANIAAIOLUGYKS-UHFFFAOYSA-N	1	2	390.443	3.118	1	30		GGEFLO