smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCSc2ccccc21	ZINC000023228307	211379892	/nfs/dbraw/zinc/37/98/92/211379892.db2.gz	PSVVEFFWMHBHBK-UHFFFAOYSA-N	0	2	352.286	5.065	20	0		FKADLN
C[C@H](Oc1ccccc1NC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1	ZINC000186814760	567987589	/nfs/dbraw/zinc/98/75/89/567987589.db2.gz	WTKBYLKSBKMEBS-ZDUSSCGKSA-N	0	2	369.367	5.063	20	0		FKADLN
C[C@@H](Oc1ccccc1NC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1	ZINC000186814778	567987558	/nfs/dbraw/zinc/98/75/58/567987558.db2.gz	WTKBYLKSBKMEBS-CYBMUJFWSA-N	0	2	369.367	5.063	20	0		FKADLN
CCc1[nH+]c2cc(C[NH2+][C@@H](c3ccc(C)o3)C3CCC3)ccc2n1C1CC1	ZINC000549626345	568034768	/nfs/dbraw/zinc/03/47/68/568034768.db2.gz	LIFWYUALCIBXFG-HSZRJFAPSA-N	0	2	363.505	5.466	20	0		FKADLN
CCc1[nH+]c2cc(C[NH2+][C@H](c3ccc(C)o3)C3CCC3)ccc2n1C1CC1	ZINC000549626346	568034837	/nfs/dbraw/zinc/03/48/37/568034837.db2.gz	LIFWYUALCIBXFG-QHCPKHFHSA-N	0	2	363.505	5.466	20	0		FKADLN
CCc1[nH+]c2cc(C[NH2+][C@@H](CC)c3ccc(OC)cc3)ccc2n1C1CC1	ZINC000549626517	568034776	/nfs/dbraw/zinc/03/47/76/568034776.db2.gz	NHTPSMOEFKUBKX-FQEVSTJZSA-N	0	2	363.505	5.183	20	0		FKADLN
CCc1[nH+]c2cc(C[NH2+][C@H](CC)c3ccc(OC)cc3)ccc2n1C1CC1	ZINC000549626518	568034849	/nfs/dbraw/zinc/03/48/49/568034849.db2.gz	NHTPSMOEFKUBKX-HXUWFJFHSA-N	0	2	363.505	5.183	20	0		FKADLN
Clc1cccc([C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C2CCCCC2)c1	ZINC000551811422	568250946	/nfs/dbraw/zinc/25/09/46/568250946.db2.gz	BCPCMJAWVCFMGV-NRFANRHFSA-N	0	2	357.929	5.284	20	0		FKADLN
Clc1cccc([C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C2CCCCC2)c1	ZINC000551811423	568250951	/nfs/dbraw/zinc/25/09/51/568250951.db2.gz	BCPCMJAWVCFMGV-OAQYLSRUSA-N	0	2	357.929	5.284	20	0		FKADLN
Cc1oc(C(C)C)cc1C(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl	ZINC000552139033	568259133	/nfs/dbraw/zinc/25/91/33/568259133.db2.gz	QXQVZDYMRGVADV-UHFFFAOYSA-N	0	2	362.640	5.630	20	0		FKADLN
O=C(Cc1coc2ccccc12)Nc1c(O)c(Cl)cc(Cl)c1Cl	ZINC000552139203	568259116	/nfs/dbraw/zinc/25/91/16/568259116.db2.gz	ZPYZEMWHHBEEHT-UHFFFAOYSA-N	0	2	370.619	5.280	20	0		FKADLN
CC(C)CC[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccoc1	ZINC000552276628	568266643	/nfs/dbraw/zinc/26/66/43/568266643.db2.gz	FBEQXAGRKYOUFT-CTWPCTMYSA-N	0	2	372.475	5.152	20	0		FKADLN
C[C@@H](Nc1ccccc1NC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1	ZINC000555526355	568412581	/nfs/dbraw/zinc/41/25/81/568412581.db2.gz	BPZDXVSTFZZNJB-CYBMUJFWSA-N	0	2	368.383	5.096	20	0		FKADLN
C[C@H](Nc1ccccc1NC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1	ZINC000555526356	568412631	/nfs/dbraw/zinc/41/26/31/568412631.db2.gz	BPZDXVSTFZZNJB-ZDUSSCGKSA-N	0	2	368.383	5.096	20	0		FKADLN
Cc1oc(C(C)C)nc1C(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl	ZINC000560620849	568566972	/nfs/dbraw/zinc/56/69/72/568566972.db2.gz	KTXLRWZWIBSUPL-UHFFFAOYSA-N	0	2	363.628	5.025	20	0		FKADLN
COc1ccccc1NC(=O)c1ccc(NCc2cccc(Cl)c2)cc1	ZINC000560698326	568596311	/nfs/dbraw/zinc/59/63/11/568596311.db2.gz	JXFODXLHDYFREZ-UHFFFAOYSA-N	0	2	366.848	5.213	20	0		FKADLN
Cc1[nH]ncc1C[NH2+][C@H](C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1	ZINC000560901534	568701872	/nfs/dbraw/zinc/70/18/72/568701872.db2.gz	CNVDFOGLCPFLLF-GFCCVEGCSA-N	0	2	365.424	5.316	20	0		FKADLN
Cc1[nH]ncc1C[NH2+][C@@H](C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1	ZINC000560901535	568701941	/nfs/dbraw/zinc/70/19/41/568701941.db2.gz	CNVDFOGLCPFLLF-LBPRGKRZSA-N	0	2	365.424	5.316	20	0		FKADLN