smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000408983569	556908531	/nfs/dbraw/zinc/90/85/31/556908531.db2.gz	MKFWDKCNSHWZPG-UYRXBGFRSA-N	-1	2	434.448	3.107	40	30		IGEBLM
C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OCC	ZINC000408935917	556895665	/nfs/dbraw/zinc/89/56/65/556895665.db2.gz	IWNRAKQEHZKRDV-SFQUDFHCSA-N	-1	2	436.420	3.015	40	30		IGEBLM
C/C=C(\C)[C@@H]1C=C[C@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C(=O)C1C(=O)N[C@@H](C[C@](C)(O)C(=O)[O-])C1=O	ZINC000013369167	518484145	/nfs/dbraw/zinc/48/41/45/518484145.db2.gz	ZLIYAXUPOBJNFP-IAJUCZBISA-N	-1	2	445.556	3.159	40	30	biogenic,in-vitro	IGEBLM
O=C([O-])c1ccc(NC(=O)CC2S/C(=N/c3ccccc3)N(CCCCO)C2=O)cc1	ZINC000017085372	556657079	/nfs/dbraw/zinc/65/70/79/556657079.db2.gz	SEUUUZPWUGSVIQ-RWUVGJFLSA-N	-1	2	441.509	3.118	40	30		IGEBLM
O=C([O-])c1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(CCCCO)C2=O)cc1	ZINC000017085372	556657084	/nfs/dbraw/zinc/65/70/84/556657084.db2.gz	SEUUUZPWUGSVIQ-RWUVGJFLSA-N	-1	2	441.509	3.118	40	30		IGEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000408786205	556856165	/nfs/dbraw/zinc/85/61/65/556856165.db2.gz	GYYTUIDNRPOSSW-XDHOZWIPSA-N	-1	2	434.448	3.162	40	30		IGEBLM
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(O)c(OCC)c2)cc1	ZINC000000808051	556697821	/nfs/dbraw/zinc/69/78/21/556697821.db2.gz	JNYQFMBHVKHBQT-FQEVSTJZSA-N	-1	2	425.437	3.457	40	30		IGEBLM
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(O)c(OCC)c2)cc1	ZINC000000808052	556697785	/nfs/dbraw/zinc/69/77/85/556697785.db2.gz	JNYQFMBHVKHBQT-HXUWFJFHSA-N	-1	2	425.437	3.457	40	30		IGEBLM
C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000408936714	556895892	/nfs/dbraw/zinc/89/58/92/556895892.db2.gz	HHACBXFRQXDZLX-XSFVSMFZSA-N	-1	2	440.411	3.216	40	30		IGEBLM
C/C=C(\C)[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C(=O)C1C(=O)N[C@@H](C[C@](C)(O)C(=O)[O-])C1=O	ZINC000013369163	518484286	/nfs/dbraw/zinc/48/42/86/518484286.db2.gz	ZLIYAXUPOBJNFP-VANQAGLGSA-N	-1	2	445.556	3.159	40	30	biogenic,in-vitro	IGEBLM
N#Cc1c(S)n([N-]S(=O)(=O)c2ccccc2)c(=O)c(C#N)c1-c1ccc(Cl)cc1	ZINC000102982344	568891212	/nfs/dbraw/zinc/89/12/12/568891212.db2.gz	TXLWGCKNUAZOLH-UHFFFAOYSA-N	-1	2	442.909	3.133	40	30		IGEBLM
C/C=C(\C)[C@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C(=O)C1C(=O)N[C@@H](C[C@](C)(O)C(=O)[O-])C1=O	ZINC000013369165	518484536	/nfs/dbraw/zinc/48/45/36/518484536.db2.gz	ZLIYAXUPOBJNFP-IYBHSADISA-N	-1	2	445.556	3.159	40	30	biogenic,in-vitro	IGEBLM
O=C([O-])c1ccc(NC(=O)CC2S/C(=N/c3ccccc3)N(CCCCO)C2=O)cc1	ZINC000017085373	556657152	/nfs/dbraw/zinc/65/71/52/556657152.db2.gz	SEUUUZPWUGSVIQ-IPVOUAOMSA-N	-1	2	441.509	3.118	40	30		IGEBLM
O=C([O-])c1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(CCCCO)C2=O)cc1	ZINC000017085373	556657155	/nfs/dbraw/zinc/65/71/55/556657155.db2.gz	SEUUUZPWUGSVIQ-IPVOUAOMSA-N	-1	2	441.509	3.118	40	30		IGEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000408857230	556871213	/nfs/dbraw/zinc/87/12/13/556871213.db2.gz	SXILAIVTBMYERH-XDHOZWIPSA-N	-1	2	434.448	3.162	40	30		IGEBLM
CC(C)(C)OC(=O)Nc1nc(/C(=N\OC(C)(C)C(=O)OC(C)(C)C)C(=O)[O-])cs1	ZINC000085210480	518843692	/nfs/dbraw/zinc/84/36/92/518843692.db2.gz	ANFLTTZTVMOFFU-SRZZPIQSSA-N	-1	2	429.495	3.416	40	30		IGEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000408778874	556853763	/nfs/dbraw/zinc/85/37/63/556853763.db2.gz	YXIMFLCZYHNATE-GZTJUZNOSA-N	-1	2	440.839	3.198	40	30		IGEBLM
C/C=C(\C)[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C(=O)C1C(=O)N[C@H](C[C@](C)(O)C(=O)[O-])C1=O	ZINC000253389727	560039323	/nfs/dbraw/zinc/03/93/23/560039323.db2.gz	ZLIYAXUPOBJNFP-XFWHUCCLSA-N	-1	2	445.556	3.159	40	30	biogenic,in-vitro	IGEBLM
CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCC(=O)[O-]	ZINC000108975480	569262553	/nfs/dbraw/zinc/26/25/53/569262553.db2.gz	JIEXLLWDFVHKJI-FWRCYWPBSA-N	-1	2	433.511	3.380	40	30		IGEBLM
C/C=C(\C)[C@H]1C=C[C@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C(=O)C1C(=O)N[C@@H](C[C@](C)(O)C(=O)[O-])C1=O	ZINC000013369169	518484207	/nfs/dbraw/zinc/48/42/07/518484207.db2.gz	ZLIYAXUPOBJNFP-FOAOWSFDSA-N	-1	2	445.556	3.159	40	30	biogenic,in-vitro	IGEBLM
C/C=C(\C)[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C(=O)C1C(=O)N[C@H](C[C@@](C)(O)C(=O)[O-])C1=O	ZINC000253389725	560039328	/nfs/dbraw/zinc/03/93/28/560039328.db2.gz	ZLIYAXUPOBJNFP-SHOCLYOUSA-N	-1	2	445.556	3.159	40	30	biogenic,in-vitro	IGEBLM
C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000408934428	556895185	/nfs/dbraw/zinc/89/51/85/556895185.db2.gz	APCVNXASYFUBTQ-LFIBNONCSA-N	-1	2	426.812	3.269	40	30		IGEBLM
C/C=C(\C)[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C(=O)C1C(=O)N[C@@H](C[C@@](C)(O)C(=O)[O-])C1=O	ZINC000253389726	560039318	/nfs/dbraw/zinc/03/93/18/560039318.db2.gz	ZLIYAXUPOBJNFP-XFLRRHKPSA-N	-1	2	445.556	3.159	40	30	biogenic,in-vitro	IGEBLM
C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Cl	ZINC000408946241	556897605	/nfs/dbraw/zinc/89/76/05/556897605.db2.gz	YQHAAVXNQAUNCP-XNTDXEJSSA-N	-1	2	426.812	3.269	40	30		IGEBLM