smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@@H](CC(=O)N(C)CCOCOCCOC)Cc2ccccc2)OC1=O	ZINC000003935276	561688341	/nfs/dbraw/zinc/68/83/41/561688341.db2.gz	JZRFAIHFMIECQR-AJISXOSTSA-N	1	2	742.915	2.438	10	0		KEAELO
CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@@H](CC(=O)N(C)CCOCOCCOC)Cc2ccccc2)OC1=O	ZINC000003935276	561688340	/nfs/dbraw/zinc/68/83/40/561688340.db2.gz	JZRFAIHFMIECQR-AJISXOSTSA-N	1	2	742.915	2.438	10	0		KEAELO
CC(=O)N[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C	ZINC000026733328	561816954	/nfs/dbraw/zinc/81/69/54/561816954.db2.gz	UJIMFKSBLFMXCG-CCZNUBNBSA-N	1	2	676.877	2.303	10	0		KEAELO
CC(=O)N[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C	ZINC000026733328	561816951	/nfs/dbraw/zinc/81/69/51/561816951.db2.gz	UJIMFKSBLFMXCG-CCZNUBNBSA-N	1	2	676.877	2.303	10	0		KEAELO
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(=O)(=O)c3cccs3)c2)C1	ZINC000033033279	553891986	/nfs/dbraw/zinc/89/19/86/553891986.db2.gz	VIODGJGBPDFUGU-GOSISDBHSA-N	1	2	506.650	2.374	10	0		KEAELO
CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(=O)(=O)c3cccs3)c2)C1	ZINC000033033282	553892119	/nfs/dbraw/zinc/89/21/19/553892119.db2.gz	VIODGJGBPDFUGU-SFHVURJKSA-N	1	2	506.650	2.374	10	0		KEAELO
O=C(NCc1ccccc1)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1	ZINC000035926787	554100957	/nfs/dbraw/zinc/10/09/57/554100957.db2.gz	NKEFJGQGNRCIMH-UHFFFAOYSA-N	1	2	505.598	2.263	10	0		KEAELO
CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CC[NH+](C(C)C)CC3)ccc1OCC)[nH]c2=O	ZINC000043219434	554298440	/nfs/dbraw/zinc/29/84/40/554298440.db2.gz	OJECJYBJIYAQBH-UHFFFAOYSA-N	1	2	502.641	2.390	10	0		KEAELO
Cn1c(CCCC(=O)[O-])[nH+]c2cc(N(CCO)CCOC(=O)CCCc3[nH+]c4cc(N(CCO)CCO)ccc4n3C)ccc21	ZINC000077272280	553656985	/nfs/dbraw/zinc/65/69/85/553656985.db2.gz	VHWAIJZTTMEEBD-UHFFFAOYSA-N	1	2	624.739	2.023	10	0	in-vitro	KEAELO
COC(=O)[C@H]1O[C@@H]2O[C@](C)(O[C@H](COc3ccccc3OC)C[NH+]3CCN(CC(=O)Nc4c(C)cccc4C)CC3)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077312814	553664034	/nfs/dbraw/zinc/66/40/34/553664034.db2.gz	OOXIQHKUKCCHGJ-SAFGPVFTSA-N	1	2	743.807	2.183	10	0	in-vitro	KEAELO
COC(=O)[C@H]1O[C@@H]2O[C@](C)(O[C@@H](COc3ccccc3OC)C[NH+]3CCN(CC(=O)Nc4c(C)cccc4C)CC3)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077312817	553663996	/nfs/dbraw/zinc/66/39/96/553663996.db2.gz	OOXIQHKUKCCHGJ-KRNJULNDSA-N	1	2	743.807	2.183	10	0	in-vitro	KEAELO
COC(=O)[C@H]1O[C@@H]2O[C@@](C)(O[C@H](COc3ccccc3OC)C[NH+]3CCN(CC(=O)Nc4c(C)cccc4C)CC3)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077312822	553664028	/nfs/dbraw/zinc/66/40/28/553664028.db2.gz	OOXIQHKUKCCHGJ-KMSNYXIVSA-N	1	2	743.807	2.183	10	0	in-vitro	KEAELO
COC(=O)[C@H]1O[C@@H]2O[C@@](C)(O[C@@H](COc3ccccc3OC)C[NH+]3CCN(CC(=O)Nc4c(C)cccc4C)CC3)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077312825	553664260	/nfs/dbraw/zinc/66/42/60/553664260.db2.gz	OOXIQHKUKCCHGJ-QDZCDZFWSA-N	1	2	743.807	2.183	10	0	in-vitro	KEAELO
CC(=O)O[C@@H]1C2=C(C)[C@@H](OC(=O)[C@H](O)[C@@H]([NH3+])c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C	ZINC000087528714	553693426	/nfs/dbraw/zinc/69/34/26/553693426.db2.gz	DLACRDONFBNRSP-KWIOUIIFSA-N	1	2	749.810	2.264	10	0	in-vitro	KEAELO
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCC[NH+]3CCN(c4ccccc4)CC3)c21	ZINC000096287656	553738940	/nfs/dbraw/zinc/73/89/40/553738940.db2.gz	JSYYDUOBYODNKX-UHFFFAOYSA-N	1	2	507.454	2.459	10	0		KEAELO
Cc1cc(-c2c(C)nc3scc(CC(=O)NCC[NH+]4CCOCC4)n3c2=O)nn1-c1cc(F)ccc1F	ZINC000102168255	554890602	/nfs/dbraw/zinc/89/06/02/554890602.db2.gz	NAOLBYIEMLWIFJ-UHFFFAOYSA-N	1	2	528.585	2.495	10	0		KEAELO
CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C[NH2+][C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])CC(C)C	ZINC000226098254	572135369	/nfs/dbraw/zinc/13/53/69/572135369.db2.gz	LOHDEFSMLITXTG-VCAFKBFISA-N	1	2	774.964	2.195	10	0	in-vitro	KEAELO
CCCC[C@H]([NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C[NH2+][C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])CC(C)C	ZINC000226098269	572135328	/nfs/dbraw/zinc/13/53/28/572135328.db2.gz	LOHDEFSMLITXTG-PUNQDHHHSA-N	1	2	774.964	2.195	10	0	in-vitro	KEAELO