smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCc1cccc(C)c1	ZINC000009234986	569391934	/nfs/dbraw/zinc/39/19/34/569391934.db2.gz	RRDYPIQRPRLBDM-CSKARUKUSA-N	-2	0	423.425	3.840	50	5		HHBARL
O=c1[n-]c(C=Cc2cn(CCOc3ccccc3)c3ccccc23)nc([O-])c1[N+](=O)[O-]	ZINC000009234838	569392009	/nfs/dbraw/zinc/39/20/09/569392009.db2.gz	OVCMNUHOFVUXMI-ZHACJKMWSA-N	-2	0	418.409	3.588	50	5		HHBARL
CCCCc1cc2c(=O)cc(C(=O)OCC)[n-]c2c2c(=O)cc(C(=O)OCC)[n-]c12	ZINC000071769154	558910957	/nfs/dbraw/zinc/91/09/57/558910957.db2.gz	ABZJUJKOPZWQPB-UHFFFAOYSA-N	-2	0	412.442	3.890	50	5		HHBARL
CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c1=O	ZINC000006472317	569058156	/nfs/dbraw/zinc/05/81/56/569058156.db2.gz	MAYJDFNLWBQCCP-UHFFFAOYSA-N	-2	0	411.414	3.763	50	5		HHBARL
O=C([O-])c1ccc(N[C@H](CSCc2ccccc2Cl)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000005158600	559268663	/nfs/dbraw/zinc/26/86/63/559268663.db2.gz	NEIGTFKEQWINBY-CQSZACIVSA-N	-2	0	410.835	3.745	50	5		HHBARL
Cc1ccc(C)c(CSC[C@H](Nc2ccc(C(=O)[O-])cc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000005158586	559268683	/nfs/dbraw/zinc/26/86/83/559268683.db2.gz	VNMIWVRJPYPQNU-INIZCTEOSA-N	-2	0	404.444	3.708	50	5		HHBARL
O=C([O-])c1ccc(N[C@@H](CSCc2ccccc2Cl)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000005158597	559268598	/nfs/dbraw/zinc/26/85/98/559268598.db2.gz	NEIGTFKEQWINBY-AWEZNQCLSA-N	-2	0	410.835	3.745	50	5		HHBARL
CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1=O	ZINC000018122009	560778243	/nfs/dbraw/zinc/77/82/43/560778243.db2.gz	BAMYZLUNJQEZDC-UHFFFAOYSA-N	-2	0	411.414	3.763	50	5		HHBARL
O=C([O-])c1ccc(N[C@@H](CSCc2cccc(Cl)c2)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000005158563	559268596	/nfs/dbraw/zinc/26/85/96/559268596.db2.gz	QMKXVRARDXBISH-AWEZNQCLSA-N	-2	0	410.835	3.745	50	5		HHBARL
Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(SCCC(=O)[O-])c1	ZINC000095941737	568662359	/nfs/dbraw/zinc/66/23/59/568662359.db2.gz	GVZJYPSDMPBXRD-UHFFFAOYSA-N	-2	0	410.473	3.579	50	5		HHBARL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCc1ccccc1	ZINC000009010302	569391177	/nfs/dbraw/zinc/39/11/77/569391177.db2.gz	LRPPXDOFZGENPZ-LUAWRHEFSA-N	-2	0	409.398	3.532	50	5		HHBARL
O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000328594288	569415703	/nfs/dbraw/zinc/41/57/03/569415703.db2.gz	QOBSMHUQKOMLID-UHFFFAOYSA-N	-2	0	409.178	3.540	50	5		HHBARL
Cc1c(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c2ccccc2n1Cc1ccccc1	ZINC000009295537	571245806	/nfs/dbraw/zinc/24/58/06/571245806.db2.gz	QKWXRQNTBMFREY-VAWYXSNFSA-N	-2	0	402.410	3.866	50	5		HHBARL
CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c1=O	ZINC000100502068	559209994	/nfs/dbraw/zinc/20/99/94/559209994.db2.gz	XLNQEBVXSISHDL-UHFFFAOYSA-N	-2	0	411.414	3.763	50	5		HHBARL
O=C([O-])c1cc([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)ccc1F	ZINC000328596038	569416073	/nfs/dbraw/zinc/41/60/73/569416073.db2.gz	OXVJEFUBCWETGC-UHFFFAOYSA-N	-2	0	409.178	3.540	50	5		HHBARL
O=C([O-])c1ccc(N[C@H](CSCc2cccc(Cl)c2)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000005158564	559268639	/nfs/dbraw/zinc/26/86/39/559268639.db2.gz	QMKXVRARDXBISH-CQSZACIVSA-N	-2	0	410.835	3.745	50	5		HHBARL
O=c1[n-]c(C=Cc2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)nc([O-])c1[N+](=O)[O-]	ZINC000009235091	569391944	/nfs/dbraw/zinc/39/19/44/569391944.db2.gz	DHVAXHGERCPMGO-DAFODLJHSA-N	-2	0	409.442	3.728	50	5		HHBARL
Cc1ccc(C)c(CSC[C@@H](Nc2ccc(C(=O)[O-])cc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000005158587	559268656	/nfs/dbraw/zinc/26/86/56/559268656.db2.gz	VNMIWVRJPYPQNU-MRXNPFEDSA-N	-2	0	404.444	3.708	50	5		HHBARL
Cc1ccc(Cn2cc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)c3ccccc32)cc1	ZINC000009010322	569391167	/nfs/dbraw/zinc/39/11/67/569391167.db2.gz	OPRCLVAGJZMTTC-ZHACJKMWSA-N	-2	0	402.410	3.866	50	5		HHBARL
CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1=O	ZINC000100469616	559203259	/nfs/dbraw/zinc/20/32/59/559203259.db2.gz	VAUDCLVMJCRQQU-UHFFFAOYSA-N	-2	0	411.414	3.763	50	5		HHBARL
Cc1nc(Nc2ccc(C(=O)[O-])cc2)nc(Nc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-]	ZINC000006177595	960865414	/nfs/dbraw/zinc/86/54/14/960865414.db2.gz	CYEKOHMMJSLLAX-UHFFFAOYSA-N	-2	0	409.358	3.577	50	5		HHBARL
COc1cc(-c2c3cnn(C)c3[nH]c3c2oc2cc(O)cc(=O)c23)cc(OC)c1O	ZINC000263586012	568878903	/nfs/dbraw/zinc/87/89/03/568878903.db2.gz	OXQVKFSQUHGOGS-UHFFFAOYSA-N	-2	0	407.382	3.669	50	5		HHBARL
O=c1[n-]c(C=Cc2cccc(OCc3c(F)cccc3Cl)c2)nc([O-])c1[N+](=O)[O-]	ZINC000009295545	571245903	/nfs/dbraw/zinc/24/59/03/571245903.db2.gz	ZGVKGMPHVWLVNR-BQYQJAHWSA-N	-2	0	417.780	3.926	50	5		HHBARL
O=C([O-])c1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000020492278	568614838	/nfs/dbraw/zinc/61/48/38/568614838.db2.gz	CFSMYXXEUHSQSB-UHFFFAOYSA-N	-2	0	404.338	3.597	50	5		HHBARL