smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CCn2c3ccccc3c(=O)c3c([O-])cccc32)cc1OC	ZINC000064559662	222074223	/nfs/dbraw/zinc/07/42/23/222074223.db2.gz	HOOQGHJKMNIWRO-UHFFFAOYSA-N	-1	3	375.424	4.120	1	5		GIBFHM
COc1c([O-])ccc(/C=C/C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1[N+](=O)[O-]	ZINC000040901138	205075051	/nfs/dbraw/zinc/07/50/51/205075051.db2.gz	ZERAGDHGZNCIMG-CKPHGNMVSA-N	-1	3	375.421	4.080	1	5		GIBFHM
O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)S1	ZINC000096282302	211329537	/nfs/dbraw/zinc/32/95/37/211329537.db2.gz	OLKJQEQPKMQSNE-NVNXTCNLSA-N	-1	3	390.804	4.151	1	5		GIBFHM
O=C1[N-]C(=O)c2c1c1c3cc(F)ccc3[nH]c1c1c2c2cccc3c2n1CCC3	ZINC000014945576	210132168	/nfs/dbraw/zinc/13/21/68/210132168.db2.gz	VIOQQWWWTRTPGJ-UHFFFAOYSA-N	-1	3	383.382	4.398	1	5		GIBFHM
CC(C)(O)CCc1ccc([O-])c2oc3cc4c(c(O)c3c(=O)c12)CCC(C)(C)O4	ZINC000014613750	210123629	/nfs/dbraw/zinc/12/36/29/210123629.db2.gz	HLNUCGLHJITDDH-UHFFFAOYSA-N	-1	3	398.455	4.165	1	5	biogenic,in-vitro	GIBFHM
CC(C)=CCOc1c(C)cc2oc3cccc(=O)c-3c([O-])c2c1COC(C)=O	ZINC000072107094	222205840	/nfs/dbraw/zinc/20/58/40/222205840.db2.gz	UVPZCNYUIFVAEP-UHFFFAOYSA-N	-1	3	382.412	4.368	1	5		GIBFHM
CC(C)=CCOc1c(C)cc2oc3cccc([O-])c3c(=O)c2c1COC(C)=O	ZINC000072107094	222205841	/nfs/dbraw/zinc/20/58/41/222205841.db2.gz	UVPZCNYUIFVAEP-UHFFFAOYSA-N	-1	3	382.412	4.368	1	5		GIBFHM
O=C1[N-]C(=O)c2c1c1c3ccc(F)cc3[nH]c1c1c2c2cccc3c2n1CCC3	ZINC000014945579	210132030	/nfs/dbraw/zinc/13/20/30/210132030.db2.gz	SNHKPCKKHSDKEH-UHFFFAOYSA-N	-1	3	383.382	4.398	1	5		GIBFHM
O=C1[N-]C(=O)c2c1c1c([nH]c3cccc(F)c31)c1c2c2cccc3c2n1CCC3	ZINC000014945574	210131458	/nfs/dbraw/zinc/13/14/58/210131458.db2.gz	DNYKRPXDTSYBFU-UHFFFAOYSA-N	-1	3	383.382	4.398	1	5		GIBFHM
COc1cccc(Nc2nc3c(cc(Cl)cc3[N+](=O)[O-])c([O-])c2C(C)=O)c1	ZINC000084614680	222318033	/nfs/dbraw/zinc/31/80/33/222318033.db2.gz	IHZHCOVAVMDLDD-UHFFFAOYSA-N	-1	3	387.779	4.457	1	5		GIBFHM
COc1ccc(Nc2nc3c(cc(Cl)cc3[N+](=O)[O-])c([O-])c2C(C)=O)cc1	ZINC000084616630	222318567	/nfs/dbraw/zinc/31/85/67/222318567.db2.gz	UWUAXYHLJZBGOV-UHFFFAOYSA-N	-1	3	387.779	4.457	1	5		GIBFHM
O=C1[N-]C(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CSC3	ZINC000000835647	212187187	/nfs/dbraw/zinc/18/71/87/212187187.db2.gz	ILAIMJWAIMLLFX-UHFFFAOYSA-N	-1	3	383.432	4.448	1	5		GIBFHM
CC(C)(O)CCc1ccc(O)c2oc3cc4c(c(=O)c-3c([O-])c12)C=CC(C)(C)O4	ZINC000014613749	221313186	/nfs/dbraw/zinc/31/31/86/221313186.db2.gz	VIMVNUNYFFLZDN-UHFFFAOYSA-N	-1	3	396.439	4.245	1	5	biogenic,in-vitro	GIBFHM