smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C1=CC=CC(=NNc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C1=O	ZINC000077313175	206211265	/nfs/dbraw/zinc/21/12/65/206211265.db2.gz	RQKGJJSJEOATBZ-QZQOTICOSA-N	-1	2	398.400	3.124	40	10	in-vitro	GGCBLM
CCOC(=O)N1CC[NH+]([C@H](c2cccnc2)c2ccc3cccnc3c2O)CC1	ZINC000019681933	570544326	/nfs/dbraw/zinc/54/43/26/570544326.db2.gz	GGKDGGOBULIRBB-HXUWFJFHSA-N	-1	2	392.459	3.199	40	10		GGCBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Cl	ZINC000408990383	570689658	/nfs/dbraw/zinc/68/96/58/570689658.db2.gz	XHNVEPDCQCOYEC-ZSOIEALJSA-N	-1	2	384.775	3.013	40	10		GGCBLM
C[C@H]1[C@@H]2C=C[C@H]1[C@@H](c1c3ccc(O)c(O)c3oc3c(O)c(=O)ccc1-3)[C@H]2C(=O)[O-]	ZINC000005030654	560200444	/nfs/dbraw/zinc/20/04/44/560200444.db2.gz	BSAMRWOMXJWVCE-BGVQVSHUSA-N	-1	2	394.379	3.251	40	10	in-vitro	GGCBLM
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000409045179	231150486	/nfs/dbraw/zinc/15/04/86/231150486.db2.gz	FNXVFGGPPZIDKX-VZUCSPMQSA-N	-1	2	393.182	3.071	40	10		GGCBLM
CC(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408940803	528056703	/nfs/dbraw/zinc/05/67/03/528056703.db2.gz	VDVHMFLUPUYBHE-GZTJUZNOSA-N	-1	2	378.384	3.175	40	10		GGCBLM
O=C([O-])CCCCCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2O)SC1=S	ZINC000017748184	570709053	/nfs/dbraw/zinc/70/90/53/570709053.db2.gz	HMQQUIKHRDIYEV-LCYFTJDESA-N	-1	2	396.446	3.147	40	10		GGCBLM
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000409046034	231150654	/nfs/dbraw/zinc/15/06/54/231150654.db2.gz	IBNFGNGMMCHDMU-IZZDOVSWSA-N	-1	2	377.183	3.365	40	10		GGCBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cccc4ccccc34)C2=O)cc1	ZINC000000986678	136196082	/nfs/dbraw/zinc/19/60/82/136196082.db2.gz	ALGCHAJBAVNCKT-LDADJPATSA-N	-1	2	386.363	3.204	40	10		GGCBLM
Cc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409319164	534014857	/nfs/dbraw/zinc/01/48/57/534014857.db2.gz	BIJCVLUSVCEHAW-YVMONPNESA-N	-1	2	396.359	3.072	40	10		GGCBLM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1	ZINC000223371081	565908516	/nfs/dbraw/zinc/90/85/16/565908516.db2.gz	LAJWEUSQZMRABV-UHFFFAOYSA-N	-1	2	378.406	3.448	40	10		GGCBLM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc21	ZINC000005030653	570425277	/nfs/dbraw/zinc/42/52/77/570425277.db2.gz	LGWWQMQBPJNCFQ-IOWHJBRQSA-N	-1	2	380.352	3.005	40	10		GGCBLM
C[C@@H]1[C@@H]2C=C[C@H]1[C@@H](c1c3ccc(O)c(O)c3oc3c(O)c(=O)ccc1-3)[C@H]2C(=O)[O-]	ZINC000005030656	560200469	/nfs/dbraw/zinc/20/04/69/560200469.db2.gz	BSAMRWOMXJWVCE-XBNVSQACSA-N	-1	2	394.379	3.251	40	10	in-vitro	GGCBLM
O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)ccc1F	ZINC000223372497	565909171	/nfs/dbraw/zinc/90/91/71/565909171.db2.gz	FIFHJXVSDYLEHC-UHFFFAOYSA-N	-1	2	378.406	3.448	40	10		GGCBLM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc21	ZINC000005030650	570425283	/nfs/dbraw/zinc/42/52/83/570425283.db2.gz	LGWWQMQBPJNCFQ-PPZCWDAYSA-N	-1	2	380.352	3.005	40	10		GGCBLM