smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)OC(=O)N=C(NCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])NC(=O)OC(C)(C)C	ZINC000098088373	569750734	/nfs/dbraw/zinc/75/07/34/569750734.db2.gz	BGOFOVHACSQSIE-CYBMUJFWSA-N	-1	2	474.555	3.150	40	30		JGEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000408774468	570039828	/nfs/dbraw/zinc/03/98/28/570039828.db2.gz	OKAPHYPIURYZKZ-XDHOZWIPSA-N	-1	2	464.474	3.252	40	30		JGEBLM
C=CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000408944718	570083296	/nfs/dbraw/zinc/08/32/96/570083296.db2.gz	UVDRKAVVQKGPIJ-LFIBNONCSA-N	-1	2	471.263	3.379	40	30		JGEBLM
Cc1[n-]n(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1O	ZINC000025501839	556218430	/nfs/dbraw/zinc/21/84/30/556218430.db2.gz	RGCSLFPTDKQNOX-PXLXIMEGSA-N	-1	2	452.305	3.418	40	30		JGEBLM
O=C([O-])c1cccc(-c2ccc(C=N[N-]c3nc(Nc4ccccc4)nc(N4CCOCC4)[nH+]3)o2)c1	ZINC000409213605	570171163	/nfs/dbraw/zinc/17/11/63/570171163.db2.gz	SHRGJJMNRXGPRP-WGOQTCKBSA-N	-1	2	485.504	3.278	40	30		JGEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059248862	195396015	/nfs/dbraw/zinc/39/60/15/195396015.db2.gz	OORMCVLIEGWQGS-WOJGMQOQSA-N	-1	2	464.474	3.170	40	30		JGEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059249248	195396059	/nfs/dbraw/zinc/39/60/59/195396059.db2.gz	GAVVSJYNGFGXRM-RQZCQDPDSA-N	-1	2	470.865	3.207	40	30		JGEBLM
O=C([O-])c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc2c(c1)OCCO2	ZINC000012565810	556063235	/nfs/dbraw/zinc/06/32/35/556063235.db2.gz	NZJQVMHNGXQCOH-YDZHTSKRSA-N	-1	2	498.473	3.311	40	30		JGEBLM
C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000016195375	519125864	/nfs/dbraw/zinc/12/58/64/519125864.db2.gz	MKJTWEQZOKGWFK-PXNMLYILSA-N	-1	2	480.429	3.123	40	30		JGEBLM
COc1cc(/C=N/c2cc([N+](=O)[O-])ccc2O)cc(I)c1OCC(=O)[O-]	ZINC000408904352	570070285	/nfs/dbraw/zinc/07/02/85/570070285.db2.gz	IEZAEFWMFGAIQJ-CNHKJKLMSA-N	-1	2	472.191	3.128	40	30		JGEBLM
C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Br	ZINC000408936427	570081507	/nfs/dbraw/zinc/08/15/07/570081507.db2.gz	GHIVWZFIUOIAIP-XNTDXEJSSA-N	-1	2	471.263	3.379	40	30		JGEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000408914916	570074816	/nfs/dbraw/zinc/07/48/16/570074816.db2.gz	ZSUQPOSAQBZOOY-VCHYOVAHSA-N	-1	2	468.437	3.083	40	30		JGEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000409065474	570116233	/nfs/dbraw/zinc/11/62/33/570116233.db2.gz	IQJGDULMRKNSRT-DEDYPNTBSA-N	-1	2	494.500	3.342	40	30		JGEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000409067731	570117067	/nfs/dbraw/zinc/11/70/67/570117067.db2.gz	PPJWFKVWFBCQSW-XNTDXEJSSA-N	-1	2	470.865	3.207	40	30		JGEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059248256	195395948	/nfs/dbraw/zinc/39/59/48/195395948.db2.gz	AFJYSUXCVKYWLV-YBFXNURJSA-N	-1	2	464.474	3.170	40	30		JGEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000111499417	569860986	/nfs/dbraw/zinc/86/09/86/569860986.db2.gz	AVGNJSUAGRAFHV-YBFXNURJSA-N	-1	2	464.474	3.170	40	30		JGEBLM