smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCN1C(=O)C(=CNNc2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)C(=O)NC1=S	ZINC000914870052	1068096612	/nfs/dbraw/zinc/09/66/12/1068096612.db2.gz	ZXSZKMXEJGIGBA-ACCUITESSA-N	-1	3	477.528	-0.033	20	10		JBCDHM
COCCN1C(=O)C(=CNNc2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)C(=O)NC1=S	ZINC000914870053	1068096465	/nfs/dbraw/zinc/09/64/65/1068096465.db2.gz	ZXSZKMXEJGIGBA-QBFSEMIESA-N	-1	3	477.528	-0.033	20	10		JBCDHM
C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC2)C[C@H](C)O1	ZINC000919813813	1068271722	/nfs/dbraw/zinc/27/17/22/1068271722.db2.gz	QZDPNAWPRMMCGR-KBPBESRZSA-N	-1	3	476.577	-0.125	20	10		JBCDHM
C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC2)C[C@H](C)O1	ZINC000919813814	1068271700	/nfs/dbraw/zinc/27/17/00/1068271700.db2.gz	QZDPNAWPRMMCGR-OKILXGFUSA-N	-1	3	476.577	-0.125	20	10		JBCDHM
C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC2)C[C@@H](C)O1	ZINC000919813815	1068271559	/nfs/dbraw/zinc/27/15/59/1068271559.db2.gz	QZDPNAWPRMMCGR-ZIAGYGMSSA-N	-1	3	476.577	-0.125	20	10		JBCDHM
CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC2)CC1	ZINC000919814006	1068271488	/nfs/dbraw/zinc/27/14/88/1068271488.db2.gz	ZVTSXLZUMWJICB-UHFFFAOYSA-N	-1	3	461.566	-0.986	20	10		JBCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1	ZINC001148583315	1068626668	/nfs/dbraw/zinc/62/66/68/1068626668.db2.gz	XURHNJOMFKEHPS-XJKSGUPXSA-N	-1	3	462.484	-0.033	20	10		JBCDHM
O=C([C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158121431	1069303717	/nfs/dbraw/zinc/30/37/17/1069303717.db2.gz	SUZWTYMZBUUMEP-AUADJRAKSA-N	-1	3	455.423	-0.482	20	10		JBCDHM
O=C([C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158121433	1069303769	/nfs/dbraw/zinc/30/37/69/1069303769.db2.gz	SUZWTYMZBUUMEP-CLTRCRFRSA-N	-1	3	455.423	-0.482	20	10		JBCDHM
O=C([C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158121435	1069303538	/nfs/dbraw/zinc/30/35/38/1069303538.db2.gz	SUZWTYMZBUUMEP-GTUYJWLHSA-N	-1	3	455.423	-0.482	20	10		JBCDHM
O=C([C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158121436	1069303669	/nfs/dbraw/zinc/30/36/69/1069303669.db2.gz	SUZWTYMZBUUMEP-PVBMHHQDSA-N	-1	3	455.423	-0.482	20	10		JBCDHM
CN1CCNC[C@@H]1C(=O)Nc1c(O)c(S(=O)(=O)[O-])c(O)c2c1C(=O)c1ccccc1C2=O	ZINC001219258217	1069533998	/nfs/dbraw/zinc/53/39/98/1069533998.db2.gz	ICPRDMFWGAAAOJ-LLVKDONJSA-N	-1	3	461.452	-0.038	20	10		JBCDHM
CN1CCNC[C@H]1C(=O)Nc1c(O)c(S(=O)(=O)[O-])c(O)c2c1C(=O)c1ccccc1C2=O	ZINC001219258218	1069534069	/nfs/dbraw/zinc/53/40/69/1069534069.db2.gz	ICPRDMFWGAAAOJ-NSHDSACASA-N	-1	3	461.452	-0.038	20	10		JBCDHM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCCS(=O)(=O)N3CCNCC3)cc12	ZINC001219678585	1069537035	/nfs/dbraw/zinc/53/70/35/1069537035.db2.gz	UVBBRBMSXKSLQO-UHFFFAOYSA-N	-1	3	452.533	-0.410	20	10		JBCDHM
O=C(NCCS(=O)(=O)N1CCNCC1)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O	ZINC001219680753	1069537698	/nfs/dbraw/zinc/53/76/98/1069537698.db2.gz	XKINJDNCRBSXLO-UHFFFAOYSA-N	-1	3	459.480	-0.162	20	10		JBCDHM