smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1	ZINC000026844512	563037623	/nfs/dbraw/zinc/03/76/23/563037623.db2.gz	YZSMYHLATMVSIP-UHFFFAOYSA-N	1	2	436.493	5.192	1	10		IKCFLO
CCOC(=O)Nc1cc(CO)cc(Nc2c3ccccc3[nH+]c3c2cccc3[N+](=O)[O-])c1	ZINC000027524586	563043058	/nfs/dbraw/zinc/04/30/58/563043058.db2.gz	HNYUJTUHBRDORU-UHFFFAOYSA-N	1	2	432.436	5.101	1	10		IKCFLO
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2c3cccnc3ccc12	ZINC000028010590	563049672	/nfs/dbraw/zinc/04/96/72/563049672.db2.gz	GBVDLDUGBDXUJE-UHFFFAOYSA-N	1	2	444.516	5.060	1	10		IKCFLO
CC1=CC(=NNc2cccc3c2C(c2ccccc2Cl)=[NH+][C@@H](C)C(=O)N3)C(=O)C(C)=C1	ZINC000029125520	563074366	/nfs/dbraw/zinc/07/43/66/563074366.db2.gz	FMYCXRAOVUODSZ-FSJRDOOXSA-N	1	2	432.911	6.256	1	10		IKCFLO
Oc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1CN(N1CCCC1)N1CCCC1	ZINC000027519472	563042660	/nfs/dbraw/zinc/04/26/60/563042660.db2.gz	CRPGYKPKIJMQEG-UHFFFAOYSA-N	1	2	437.975	5.161	1	10		IKCFLO
CCC1=CC(=NNc2cccc3c2C(c2ccccc2Cl)=[NH+][C@@H](C)C(=O)N3)C=CC1=O	ZINC000029125524	563074300	/nfs/dbraw/zinc/07/43/00/563074300.db2.gz	RZSQJBODSKIQGW-XPBCYZTKSA-N	1	2	432.911	6.201	1	10		IKCFLO
CC(C)C1=CC(=NNc2cccc3c2C(c2ccccc2Cl)=[NH+][C@@H](C)C(=O)N3)C=CC1=O	ZINC000029125519	563074381	/nfs/dbraw/zinc/07/43/81/563074381.db2.gz	APBUXXOOBDPMMN-ZVKGKFHZSA-N	1	2	446.938	6.762	1	10		IKCFLO
CN(C)c1ccc([C@@H]2[NH2+][C@H](c3nc(-c4ccccc4)c[nH]3)Cc3c4ccccc4[nH]c32)cc1	ZINC000026816281	563036732	/nfs/dbraw/zinc/03/67/32/563036732.db2.gz	CFPAEAOCFWPJMN-AHWVRZQESA-N	1	2	433.559	5.600	1	10		IKCFLO
CCC1=CC(=NNc2cccc3c2C(c2ccccc2Cl)=[NH+][C@H](C)C(=O)N3)C=CC1=O	ZINC000029125523	563074391	/nfs/dbraw/zinc/07/43/91/563074391.db2.gz	RZSQJBODSKIQGW-AIPIOJKYSA-N	1	2	432.911	6.201	1	10		IKCFLO
CCOc1ccc(Nc2cc[nH+]c(N3CCN(c4ccc(OC)cc4)C(C)(C)C3)n2)c(C)c1	ZINC000053184382	563141151	/nfs/dbraw/zinc/14/11/51/563141151.db2.gz	SMKXTUQDLSRMEN-UHFFFAOYSA-N	1	2	447.583	5.041	1	10		IKCFLO
CCS(=O)(=O)Nc1ccc(Nc2c3ccc([N+](=O)[O-])cc3[nH+]c3c(C)cccc23)cc1	ZINC000026848904	563037733	/nfs/dbraw/zinc/03/77/33/563037733.db2.gz	VNAQWBPJOGYTJU-UHFFFAOYSA-N	1	2	436.493	5.110	1	10		IKCFLO
Cc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc([N+](=O)[O-])c(C)c3[nH+]c12	ZINC000026934957	563037794	/nfs/dbraw/zinc/03/77/94/563037794.db2.gz	GVRVGQHSBIKYDQ-UHFFFAOYSA-N	1	2	436.493	5.028	1	10		IKCFLO
C[C@@H]1[NH+]=C(c2ccccc2Cl)c2c(NN=C3C(F)=CC(=O)C=C3F)cccc2NC1=O	ZINC000029125480	563074325	/nfs/dbraw/zinc/07/43/25/563074325.db2.gz	STFRBXFBDMXLPE-LGWXLZMOSA-N	1	2	440.837	5.917	1	10		IKCFLO
CC(C)C1=CC(=NNc2cccc3c2C(c2ccccc2Cl)=[NH+][C@H](C)C(=O)N3)C=CC1=O	ZINC000029125518	563074393	/nfs/dbraw/zinc/07/43/93/563074393.db2.gz	APBUXXOOBDPMMN-FBFSSQSFSA-N	1	2	446.938	6.762	1	10		IKCFLO
CCN(CC)C(=O)N(CC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O	ZINC000029250317	563077290	/nfs/dbraw/zinc/07/72/90/563077290.db2.gz	BNWVTHKIWYAIOP-UHFFFAOYSA-N	1	2	426.948	5.621	1	10		IKCFLO
Cc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc([N+](=O)[O-])cc2[nH+]c2c(C)cccc12	ZINC000026841102	563037513	/nfs/dbraw/zinc/03/75/13/563037513.db2.gz	CJGWBJODHMIYNW-UHFFFAOYSA-N	1	2	436.493	5.028	1	10		IKCFLO
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2c1ccc1cccnc12	ZINC000026844368	563037636	/nfs/dbraw/zinc/03/76/36/563037636.db2.gz	IOCNNQWCNHNVAX-UHFFFAOYSA-N	1	2	444.516	5.060	1	10		IKCFLO
COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(Cl)cc3[nH+]c12	ZINC000026935324	563037810	/nfs/dbraw/zinc/03/78/10/563037810.db2.gz	ZTSZLWHQJNYXSU-UHFFFAOYSA-N	1	2	427.913	5.165	1	10		IKCFLO
Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc([N+](=O)[O-])cc3[nH+]c2c1C	ZINC000026935316	563037818	/nfs/dbraw/zinc/03/78/18/563037818.db2.gz	HPWMBUWQYPVDNC-UHFFFAOYSA-N	1	2	436.493	5.028	1	10		IKCFLO
CNc1cc(NC(=O)OC)ccc1Nc1c2ccc(Cl)cc2[nH+]c2c(OC)cccc12	ZINC000029340614	563078482	/nfs/dbraw/zinc/07/84/82/563078482.db2.gz	LSKBZSLJZILHJF-UHFFFAOYSA-N	1	2	436.899	6.014	1	10		IKCFLO
CC(C)c1ccc(CNc2ccc3c(c2)[nH+]cn3-c2ccc(Cc3ccccc3)cc2)cc1	ZINC000095580891	563187360	/nfs/dbraw/zinc/18/73/60/563187360.db2.gz	UTSJAOPAQQVOTN-UHFFFAOYSA-N	1	2	431.583	7.352	1	10		IKCFLO
COc1cc(/C=C/c2ccc(NCc3cc([NH2+]CC(C)C)ccc3O)cc2)cc(OC)c1	ZINC000096928154	563198311	/nfs/dbraw/zinc/19/83/11/563198311.db2.gz	XHUYTOZEVSPCJI-AATRIKPKSA-N	1	2	432.564	6.260	1	10		IKCFLO
CN(C)c1ccc([C@H]2[NH2+][C@H](c3nc(-c4ccccc4)c[nH]3)Cc3c4ccccc4[nH]c32)cc1	ZINC000026816286	563036728	/nfs/dbraw/zinc/03/67/28/563036728.db2.gz	CFPAEAOCFWPJMN-AZGAKELHSA-N	1	2	433.559	5.600	1	10		IKCFLO
Cc1ccc2c(c1)[nH+]c1c(C)c([N+](=O)[O-])ccc1c2Nc1ccc(NS(C)(=O)=O)cc1	ZINC000026935449	563037792	/nfs/dbraw/zinc/03/77/92/563037792.db2.gz	OWHZRDLAXSBYOS-UHFFFAOYSA-N	1	2	436.493	5.028	1	10		IKCFLO
C[C@H]1[NH+]=C(c2ccccc2Cl)c2c(NN=C3C(F)=CC(=O)C=C3F)cccc2NC1=O	ZINC000029125481	563074370	/nfs/dbraw/zinc/07/43/70/563074370.db2.gz	STFRBXFBDMXLPE-UZQYBIKJSA-N	1	2	440.837	5.917	1	10		IKCFLO
COc1ccc(N(CCN2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2ccccc2)cc1	ZINC000022925666	563025972	/nfs/dbraw/zinc/02/59/72/563025972.db2.gz	BBGVXIKGGVJPNA-MDWZMJQESA-N	1	2	441.619	5.033	1	10		IKCFLO
COP(=O)(Nc1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1)OC	ZINC000026004348	563028297	/nfs/dbraw/zinc/02/82/97/563028297.db2.gz	FMPFXPZSYKJEBC-UHFFFAOYSA-N	1	2	438.380	5.853	1	10		IKCFLO
CC1=CC(=NNc2cccc3c2C(c2ccccc2Cl)=[NH+][C@H](C)C(=O)N3)C(=O)C(C)=C1	ZINC000029125521	563074388	/nfs/dbraw/zinc/07/43/88/563074388.db2.gz	FMYCXRAOVUODSZ-FSGUPOOJSA-N	1	2	432.911	6.256	1	10		IKCFLO