smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(C[C@@H]2CN(c3ccccc3)CC[N@H+]2Cc2ccccc2)cc1	ZINC000216023144	132270792	/nfs/dbraw/zinc/27/07/92/132270792.db2.gz	GDXCHODJZDHKCL-XMMPIXPASA-N	1	1	357.501	4.202	10	10		FICEMO
CC(C)c1ccc(/C=C2\SC(=S)N(C[NH+]3CCCCC3)C2=O)cc1	ZINC000103301560	209252493	/nfs/dbraw/zinc/25/24/93/209252493.db2.gz	BSYFJKQUWXSFDJ-ATVHPVEESA-N	1	1	360.548	4.455	10	10		FICEMO
COc1ccc([C@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)c2nccn2C)cc1	ZINC000184960655	1101683916	/nfs/dbraw/zinc/68/39/16/1101683916.db2.gz	RGPONRWVCQIDLY-YJYMSZOUSA-N	1	1	371.868	4.228	10	10		FICEMO
Nc1ccc(C[C@H]2CN(c3ccccc3)CC[N@H+]2Cc2ccccc2)cc1	ZINC000211748450	132269390	/nfs/dbraw/zinc/26/93/90/132269390.db2.gz	GDXCHODJZDHKCL-DEOSSOPVSA-N	1	1	357.501	4.202	10	10		FICEMO
C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cc(Cl)c(Cl)cc1O	ZINC000248990218	1099413453	/nfs/dbraw/zinc/41/34/53/1099413453.db2.gz	NFHFLFBYLWJIPD-MMPTUQATSA-N	1	1	362.322	4.404	10	10		FICEMO
COc1ccc([C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)c2nccn2C)cc1	ZINC000184960690	1101683842	/nfs/dbraw/zinc/68/38/42/1101683842.db2.gz	RGPONRWVCQIDLY-BFUOFWGJSA-N	1	1	371.868	4.228	10	10		FICEMO
COc1ccc([C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)c2nccn2C)cc1	ZINC000184960637	1101683175	/nfs/dbraw/zinc/68/31/75/1101683175.db2.gz	RGPONRWVCQIDLY-DJJJIMSYSA-N	1	1	371.868	4.228	10	10		FICEMO
COc1ccc([C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)c2nccn2C)cc1	ZINC000184960673	1101684271	/nfs/dbraw/zinc/68/42/71/1101684271.db2.gz	RGPONRWVCQIDLY-ORAYPTAESA-N	1	1	371.868	4.228	10	10		FICEMO
COc1cccc(O)c1C[N@H+](Cc1ccncc1)Cc1ccc(F)cc1	ZINC000055073881	571116162	/nfs/dbraw/zinc/11/61/62/571116162.db2.gz	DWSASOMTFXEFFF-UHFFFAOYSA-N	1	1	352.409	4.137	10	10		FICEMO
COc1cccc(O)c1C[N@@H+](Cc1ccncc1)Cc1ccc(F)cc1	ZINC000055073881	571116165	/nfs/dbraw/zinc/11/61/65/571116165.db2.gz	DWSASOMTFXEFFF-UHFFFAOYSA-N	1	1	352.409	4.137	10	10		FICEMO
C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(Cl)c(Cl)cc1O	ZINC000248990222	1099413652	/nfs/dbraw/zinc/41/36/52/1099413652.db2.gz	NFHFLFBYLWJIPD-USBNGQNGSA-N	1	1	362.322	4.404	10	10		FICEMO