smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@H](O)[C@H](O)CO)c2c1	ZINC000001574811	206385735	/nfs/dbraw/zinc/38/57/35/206385735.db2.gz	OBNXUFLEFUHBGJ-WZRBSPASSA-N	0	2	378.341	-2.332	40	5		GABBLN
Cc1cc2cc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@H](O)[C@H](O)CO)c2cc1C	ZINC000001703511	206389488	/nfs/dbraw/zinc/38/94/88/206389488.db2.gz	XHELUUHUHSGXOC-KFWWJZLASA-N	0	2	375.381	-1.119	40	5		GABBLN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1N	ZINC000003650235	206250335	/nfs/dbraw/zinc/25/03/35/206250335.db2.gz	BZHBNLOEUZEUOA-LOWVWBTDSA-N	0	2	377.357	-2.450	40	5	in-vitro	GABBLN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@H](O)[C@H](O)CO)c2cc1C	ZINC000003831422	204019023	/nfs/dbraw/zinc/01/90/23/204019023.db2.gz	AUNGANRZJHBGPY-BZPMIXESSA-N	0	2	376.369	-1.724	40	5	in-vitro	GABBLN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@H](O)CO)c2cc1C	ZINC000003831424	204019132	/nfs/dbraw/zinc/01/91/32/204019132.db2.gz	AUNGANRZJHBGPY-YRGRVCCFSA-N	0	2	376.369	-1.724	40	5	in-vitro	GABBLN
Cc1cc2cc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C	ZINC000004878448	204085904	/nfs/dbraw/zinc/08/59/04/204085904.db2.gz	XHELUUHUHSGXOC-ZNMIVQPWSA-N	0	2	375.381	-1.119	40	5		GABBLN
Cc1cc2cc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@H](O)CO)c2cc1C	ZINC000004878449	570414800	/nfs/dbraw/zinc/41/48/00/570414800.db2.gz	XHELUUHUHSGXOC-RRFJBIMHSA-N	0	2	375.381	-1.119	40	5		GABBLN
Cc1cc2cc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@H](O)CO)c2cc1C	ZINC000004878453	570414894	/nfs/dbraw/zinc/41/48/94/570414894.db2.gz	XHELUUHUHSGXOC-RBSFLKMASA-N	0	2	375.381	-1.119	40	5		GABBLN
COc1ccc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2c1	ZINC000005386869	570437013	/nfs/dbraw/zinc/43/70/13/570437013.db2.gz	OBNXUFLEFUHBGJ-LOWVWBTDSA-N	0	2	378.341	-2.332	40	5		GABBLN
COc1ccc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@H](O)CO)c2c1	ZINC000005386870	570436991	/nfs/dbraw/zinc/43/69/91/570436991.db2.gz	OBNXUFLEFUHBGJ-DMDPSCGWSA-N	0	2	378.341	-2.332	40	5		GABBLN
COc1ccc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@H](O)CO)c2c1	ZINC000005386872	570436970	/nfs/dbraw/zinc/43/69/70/570436970.db2.gz	OBNXUFLEFUHBGJ-NQBHXWOUSA-N	0	2	378.341	-2.332	40	5		GABBLN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@H](O)[C@H](O)CO)c2cc1N	ZINC000005545623	570445037	/nfs/dbraw/zinc/44/50/37/570445037.db2.gz	BZHBNLOEUZEUOA-WZRBSPASSA-N	0	2	377.357	-2.450	40	5		GABBLN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@H](O)CO)c2cc1N	ZINC000005545624	570445135	/nfs/dbraw/zinc/44/51/35/570445135.db2.gz	BZHBNLOEUZEUOA-DMDPSCGWSA-N	0	2	377.357	-2.450	40	5		GABBLN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@H](O)CO)c2cc1N	ZINC000005545628	206617678	/nfs/dbraw/zinc/61/76/78/206617678.db2.gz	BZHBNLOEUZEUOA-NQBHXWOUSA-N	0	2	377.357	-2.450	40	5		GABBLN
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1[N+](=O)[O-]	ZINC000005767483	570275096	/nfs/dbraw/zinc/27/50/96/570275096.db2.gz	RTFDAJJZJFPPIR-ZSLBOAEBSA-N	0	2	376.318	-1.081	40	5		GABBLN
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1[N+](=O)[O-]	ZINC000005767485	570275245	/nfs/dbraw/zinc/27/52/45/570275245.db2.gz	RTFDAJJZJFPPIR-HPCHECBXSA-N	0	2	376.318	-1.081	40	5		GABBLN
CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1[N+](=O)[O-]	ZINC000005767487	570275275	/nfs/dbraw/zinc/27/52/75/570275275.db2.gz	RTFDAJJZJFPPIR-MRTXSQPYSA-N	0	2	376.318	-1.081	40	5		GABBLN
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1[N+](=O)[O-]	ZINC000005767489	570275293	/nfs/dbraw/zinc/27/52/93/570275293.db2.gz	RTFDAJJZJFPPIR-QNSTZXKLSA-N	0	2	376.318	-1.081	40	5		GABBLN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@H](O)[C@@H](O)CO)c2cc1C	ZINC000011565587	221117179	/nfs/dbraw/zinc/11/71/79/221117179.db2.gz	AUNGANRZJHBGPY-DYEKYZERSA-N	0	2	376.369	-1.724	40	5	in-vitro	GABBLN