smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(NS(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)cnn1C1CCOCC1	ZINC000647133944	570678757	/nfs/dbraw/zinc/67/87/57/570678757.db2.gz	RJIVMLIRBZXKCP-UHFFFAOYSA-N	-1	2	397.428	2.490	40	0		GEABLM
CCOC(=O)c1sc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)nc1C	ZINC000223372651	570462615	/nfs/dbraw/zinc/46/26/15/570462615.db2.gz	XDDIIHOPDWVUBG-UHFFFAOYSA-N	-1	2	388.398	2.266	40	0		GEABLM
O=C([O-])[C@H]1CC(=O)N(c2cc(Br)c(O)c(Br)c2)C1	ZINC000045953706	206264444	/nfs/dbraw/zinc/26/44/44/206264444.db2.gz	DVHWOTHLVVCCMJ-YFKPBYRVSA-N	-1	2	379.004	2.355	40	0		GEABLM
O=C([O-])Cc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	ZINC000003784710	560189470	/nfs/dbraw/zinc/18/94/70/560189470.db2.gz	OIQJTMMAMWFMQR-MRXNPFEDSA-N	-1	2	386.429	2.224	40	0	in-vitro	GEABLM
COCCOc1cccc(C[N@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)c1	ZINC000100775125	211391243	/nfs/dbraw/zinc/39/12/43/211391243.db2.gz	LQVRDUDXPAOGCJ-UHFFFAOYSA-N	-1	2	382.464	2.369	40	0		GEABLM
CCOC(=O)c1sc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)nc1C	ZINC000223257019	570453830	/nfs/dbraw/zinc/45/38/30/570453830.db2.gz	VMAUTHSUMWOBQJ-UHFFFAOYSA-N	-1	2	398.462	2.446	40	0		GEABLM
O=C([O-])[C@@H]1CC(=O)N(c2cc(Br)c(O)c(Br)c2)C1	ZINC000045953704	212119220	/nfs/dbraw/zinc/11/92/20/212119220.db2.gz	DVHWOTHLVVCCMJ-RXMQYKEDSA-N	-1	2	379.004	2.355	40	0		GEABLM
Cc1cc(C)cc([NH+](CCCCS(=O)(=O)[O-])CCCCS(=O)(=O)[O-])c1	ZINC000034293375	642505374	/nfs/dbraw/zinc/50/53/74/642505374.db2.gz	TXOYNQICHFKDKE-UHFFFAOYSA-N	-1	2	393.527	2.446	40	0		GEABLM
O=C([O-])Cc1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	ZINC000001482949	212247804	/nfs/dbraw/zinc/24/78/04/212247804.db2.gz	OIQJTMMAMWFMQR-INIZCTEOSA-N	-1	2	386.429	2.224	40	0	in-vitro	GEABLM
CCOC(=O)c1sc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)nc1C	ZINC000223371232	570462195	/nfs/dbraw/zinc/46/21/95/570462195.db2.gz	LLCMAXOSUIQWRZ-UHFFFAOYSA-N	-1	2	388.398	2.266	40	0		GEABLM