smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1c(OC[C@H]2CCC[NH+](C)C2)cc(=O)n2c1CC[N@H+](C/C=C/c1ccco1)CC2	ZINC000012245200	521781930	/nfs/dbraw/zinc/78/19/30/521781930.db2.gz	AFOLCZRHJLHLPV-QTWIXLPOSA-N	2	2	455.555	2.520	10	0		JFAELP
COC(=O)c1c(OC[C@H]2CCC[NH+](C)C2)cc(=O)n2c1CC[N@@H+](C/C=C/c1ccco1)CC2	ZINC000012245200	521781941	/nfs/dbraw/zinc/78/19/41/521781941.db2.gz	AFOLCZRHJLHLPV-QTWIXLPOSA-N	2	2	455.555	2.520	10	0		JFAELP
COC(=O)c1c(OC[C@H]2CCC[N@H+](C)C2)cc(=O)n2c1CC[NH+](C/C=C/c1ccco1)CC2	ZINC000012245200	521781953	/nfs/dbraw/zinc/78/19/53/521781953.db2.gz	AFOLCZRHJLHLPV-QTWIXLPOSA-N	2	2	455.555	2.520	10	0		JFAELP
COC(=O)c1c(OC[C@H]2CCC[N@@H+](C)C2)cc(=O)n2c1CC[NH+](C/C=C/c1ccco1)CC2	ZINC000012245200	521781960	/nfs/dbraw/zinc/78/19/60/521781960.db2.gz	AFOLCZRHJLHLPV-QTWIXLPOSA-N	2	2	455.555	2.520	10	0		JFAELP
Cn1ccnc1[C@@H]1CCCC[N@@H+]1C1CCN(c2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)CC1	ZINC000012098618	555905456	/nfs/dbraw/zinc/90/54/56/555905456.db2.gz	OYIWPULWTPNQOI-VWLOTQADSA-N	2	2	480.657	2.678	10	0		JFAELP
Cn1ccnc1[C@@H]1CCCC[N@H+]1C1CCN(c2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)CC1	ZINC000012098618	555905458	/nfs/dbraw/zinc/90/54/58/555905458.db2.gz	OYIWPULWTPNQOI-VWLOTQADSA-N	2	2	480.657	2.678	10	0		JFAELP
COc1ccccc1[C@H]1C[N@H+](CC(=O)N2CCC([NH+]3CCOCC3)CC2)Cc2ccccc2O1	ZINC000012027595	562958650	/nfs/dbraw/zinc/95/86/50/562958650.db2.gz	HLKDACIMYSFTMC-AREMUKBSSA-N	2	2	465.594	2.954	10	0		JFAELP
COc1ccccc1[C@H]1C[N@@H+](CC(=O)N2CCC([NH+]3CCOCC3)CC2)Cc2ccccc2O1	ZINC000012027595	562958651	/nfs/dbraw/zinc/95/86/51/562958651.db2.gz	HLKDACIMYSFTMC-AREMUKBSSA-N	2	2	465.594	2.954	10	0		JFAELP
COc1ccccc1[C@@H]1C[N@H+](CC(=O)N2CCC([NH+]3CCOCC3)CC2)Cc2ccccc2O1	ZINC000012027589	562958678	/nfs/dbraw/zinc/95/86/78/562958678.db2.gz	HLKDACIMYSFTMC-SANMLTNESA-N	2	2	465.594	2.954	10	0		JFAELP
COc1ccccc1[C@@H]1C[N@@H+](CC(=O)N2CCC([NH+]3CCOCC3)CC2)Cc2ccccc2O1	ZINC000012027589	562958679	/nfs/dbraw/zinc/95/86/79/562958679.db2.gz	HLKDACIMYSFTMC-SANMLTNESA-N	2	2	465.594	2.954	10	0		JFAELP
Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC(C)(C)C)OC(C)(C)C2	ZINC000071788280	569698393	/nfs/dbraw/zinc/69/83/93/569698393.db2.gz	AYAOKTGXFBTYGZ-KRWDZBQOSA-N	2	2	482.647	2.577	10	0		JFAELP
COC(=O)c1c(OC[C@@H]2CCC[NH+](C)C2)cc(=O)n2c1CC[N@H+](C/C=C/c1ccco1)CC2	ZINC000012245199	521780801	/nfs/dbraw/zinc/78/08/01/521780801.db2.gz	AFOLCZRHJLHLPV-ZLHKHBAESA-N	2	2	455.555	2.520	10	0		JFAELP
COC(=O)c1c(OC[C@@H]2CCC[NH+](C)C2)cc(=O)n2c1CC[N@@H+](C/C=C/c1ccco1)CC2	ZINC000012245199	521780808	/nfs/dbraw/zinc/78/08/08/521780808.db2.gz	AFOLCZRHJLHLPV-ZLHKHBAESA-N	2	2	455.555	2.520	10	0		JFAELP
COC(=O)c1c(OC[C@@H]2CCC[N@H+](C)C2)cc(=O)n2c1CC[NH+](C/C=C/c1ccco1)CC2	ZINC000012245199	521780811	/nfs/dbraw/zinc/78/08/11/521780811.db2.gz	AFOLCZRHJLHLPV-ZLHKHBAESA-N	2	2	455.555	2.520	10	0		JFAELP
COC(=O)c1c(OC[C@@H]2CCC[N@@H+](C)C2)cc(=O)n2c1CC[NH+](C/C=C/c1ccco1)CC2	ZINC000012245199	521780817	/nfs/dbraw/zinc/78/08/17/521780817.db2.gz	AFOLCZRHJLHLPV-ZLHKHBAESA-N	2	2	455.555	2.520	10	0		JFAELP
O=C(c1ccc(-n2cccn2)cc1)N1CC[NH+](CCOc2cccc(C[NH+]3CCOCC3)c2)CC1	ZINC000020452901	526656249	/nfs/dbraw/zinc/65/62/49/526656249.db2.gz	FQWMSTVAGKHXNU-UHFFFAOYSA-N	2	2	475.593	2.541	10	0		JFAELP
Cn1ccnc1[C@H]1CCCC[N@@H+]1C1CCN(c2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)CC1	ZINC000012098620	555905436	/nfs/dbraw/zinc/90/54/36/555905436.db2.gz	OYIWPULWTPNQOI-RUZDIDTESA-N	2	2	480.657	2.678	10	0		JFAELP
Cn1ccnc1[C@H]1CCCC[N@H+]1C1CCN(c2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)CC1	ZINC000012098620	555905439	/nfs/dbraw/zinc/90/54/39/555905439.db2.gz	OYIWPULWTPNQOI-RUZDIDTESA-N	2	2	480.657	2.678	10	0		JFAELP