smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([C@H](C)[NH3+])c([O-])cc1F	238416527	573489854	/nfs/dbraw/zinc/48/98/54/573489854.db2.gz	CZULQQKHOCSUGA-LURJTMIESA-N	0	1	169.199	1.859	20	10		ADCDMN
Cc1cc([C@@H](C)[NH3+])c([O-])cc1F	238418661	573498637	/nfs/dbraw/zinc/49/86/37/573498637.db2.gz	CZULQQKHOCSUGA-ZCFIWIBFSA-N	0	1	169.199	1.859	20	10		ADCDMN
Cc1ccc(O)c(C[N@@H+](C)CCO)c1	127928678	573997383	/nfs/dbraw/zinc/99/73/83/573997383.db2.gz	UDFWULNSHDYRFN-UHFFFAOYSA-N	0	1	195.262	1.125	20	10		ADCDMN
CN(CCF)Cc1ccccc1O	379368990	697847734	/nfs/dbraw/zinc/84/77/34/697847734.db2.gz	ZRAROZUDKNDFSM-UHFFFAOYSA-N	0	1	183.226	1.794	20	10		ADCDMN
FCCNCc1ccc2c(c1)CCO2	388678328	697987065	/nfs/dbraw/zinc/98/70/65/697987065.db2.gz	IPBGXZFDHAEBNN-UHFFFAOYSA-N	0	1	195.237	1.681	20	10		ADCDMN
C[NH2+]Cc1c([O-])cccc1Cl	83551561	168015159	/nfs/dbraw/zinc/01/51/59/168015159.db2.gz	GXBYHOSVSMASBL-UHFFFAOYSA-N	0	1	171.627	1.765	20	10		ADCDMN
COc1cccc2c1C(C=O)C(=O)N2	100095424	168273950	/nfs/dbraw/zinc/27/39/50/168273950.db2.gz	IIELFKCNMRAETJ-WAYWQWQTSA-N	0	1	191.186	1.546	20	10		ADCDMN
C[NH+](C)Cc1ccc2[nH]ccc2c1[O-]	37632590	343172995	/nfs/dbraw/zinc/17/29/95/343172995.db2.gz	KKSZVYABMHMYBJ-UHFFFAOYSA-N	0	1	190.246	1.935	20	10		ADCDMN
COc1cccc(O)c1CNCCF	308729627	573794284	/nfs/dbraw/zinc/79/42/84/573794284.db2.gz	IRWAVEASSIPVNI-UHFFFAOYSA-N	0	1	199.225	1.460	20	10		ADCDMN
c1csc(SCc2c[nH]nn2)n1	307748477	630191032	/nfs/dbraw/zinc/19/10/32/630191032.db2.gz	BXRKAVWYIMYWRI-UHFFFAOYSA-N	0	1	198.276	1.554	20	10		ADCDMN
[NH3+][C@@H](c1cc(F)ccc1[O-])C1CC1	95663326	631162021	/nfs/dbraw/zinc/16/20/21/631162021.db2.gz	SOBCBHPUIIDULZ-SNVBAGLBSA-N	0	1	181.210	1.941	20	10		ADCDMN