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@H](NC(=O)[C@@H](CS)NC(=O)CCC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000003873034	206799225	/nfs/dbraw/zinc/79/92/25/206799225.db2.gz	BYEIJZFKOAXBBV-NGZCFLSTSA-N	-1	0	363.436	-0.791	40	30		FBEBRM
CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000003873036	484474849	/nfs/dbraw/zinc/47/48/49/484474849.db2.gz	BYEIJZFKOAXBBV-QXEWZRGKSA-N	-1	0	363.436	-0.791	40	30		FBEBRM
CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000003873037	483409003	/nfs/dbraw/zinc/40/90/03/483409003.db2.gz	BYEIJZFKOAXBBV-ATZCPNFKSA-N	-1	0	363.436	-0.791	40	30	in-vivo	FBEBRM
Cc1c(C#N)c(=O)n(C)c([O-])c1/C=C1/C(C)=C(C(N)=O)C(=O)N(C)C1=O	ZINC000005536067	483416062	/nfs/dbraw/zinc/41/60/62/483416062.db2.gz	MQSMWRAYNPMMQD-YHYXMXQVSA-N	-1	0	356.338	-0.545	40	30		FBEBRM
COC(=O)/C=C(\C(=O)OC)N([O-])C(=O)CN1C(=O)c2ccccc2C1=O	ZINC000005618864	204218658	/nfs/dbraw/zinc/21/86/58/204218658.db2.gz	ZFNUOOCPVBLDMR-YRNVUSSQSA-N	-1	0	362.294	-0.270	40	30		FBEBRM
CC(C)[C@H](NC(=O)[C@@H](CS)NC(=O)CCC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000012501488	484488830	/nfs/dbraw/zinc/48/88/30/484488830.db2.gz	BYEIJZFKOAXBBV-KKZNHRDASA-N	-1	0	363.436	-0.791	40	30		FBEBRM
CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)CCC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000012501491	484488298	/nfs/dbraw/zinc/48/82/98/484488298.db2.gz	BYEIJZFKOAXBBV-YWVKMMECSA-N	-1	0	363.436	-0.791	40	30		FBEBRM
COC(=O)/C=C(/C(=O)OC)N([O-])C(=O)CN1C(=O)c2ccccc2C1=O	ZINC000017142539	220207895	/nfs/dbraw/zinc/20/78/95/220207895.db2.gz	ZFNUOOCPVBLDMR-XFFZJAGNSA-N	-1	0	362.294	-0.270	40	30		FBEBRM
C/C(=C\C(=O)c1c([O-])c2ccccc2n(C)c1=O)NC(CO)(CO)CO	ZINC000101153894	483832988	/nfs/dbraw/zinc/83/29/88/483832988.db2.gz	RMALTFXBVBFTKU-YRNVUSSQSA-N	-1	0	362.382	-0.364	40	30		FBEBRM
CNNC(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C1NC([O-])=NC1=O	ZINC000104294911	222353757	/nfs/dbraw/zinc/35/37/57/222353757.db2.gz	SSGWIGQGYHMDAX-LESIGFLTSA-N	-1	0	365.262	-0.775	40	30		FBEBRM
CNNC(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C1NC([O-])=NC1=O	ZINC000104294920	483839060	/nfs/dbraw/zinc/83/90/60/483839060.db2.gz	SSGWIGQGYHMDAX-FSTRMPAVSA-N	-1	0	365.262	-0.775	40	30		FBEBRM
N#Cc1ccc(C(c2c([O-])[nH]c(N)nc2=O)C2C(=O)N=C(N)NC2=O)cc1	ZINC000408919871	484602965	/nfs/dbraw/zinc/60/29/65/484602965.db2.gz	DQDMYVGMTKFDCF-UHFFFAOYSA-N	-1	0	367.325	-0.034	40	30		FBEBRM
CN1CCN(CC(=O)N=C2C=CC(=S(=O)([O-])NC3CC3)C=C2)CC1	ZINC000409416013	484258771	/nfs/dbraw/zinc/25/87/71/484258771.db2.gz	PZTLTCNBBUGNFE-UHFFFAOYSA-N	-1	0	352.460	-0.076	40	30		FBEBRM