smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CC[NH+](Cc2ccc(-c3cn([C@H]4CC[C@H](O)CC4)c4nc(NCCC5CC5)[nH+]cc34)cc2)CC1	ZINC000299829706	570177810	/nfs/dbraw/zinc/17/78/10/570177810.db2.gz	LBEJYFVJIPQSNX-SOAUALDESA-N	2	2	488.680	4.534	10	0		JJAELP
CC(=O)N1CCC[C@H]2[C@@H](C[C@@H]3CC[C@@]4(O)C(=[NH+]3)C[C@@H]3C[C@@H](C)C[C@H]5[C@@H]3C[C@@H]4C[N@H+]5C)C[C@H](C)C[C@H]21	ZINC000056871310	560083205	/nfs/dbraw/zinc/08/32/05/560083205.db2.gz	QRIZONDFXOOWTA-MREYPERPSA-N	2	2	483.741	4.771	10	0	biogenic,in-vitro	JJAELP
CC(=O)N1CCC[C@H]2[C@@H](C[C@@H]3CC[C@@]4(O)C(=[NH+]3)C[C@@H]3C[C@@H](C)C[C@H]5[C@@H]3C[C@@H]4C[N@@H+]5C)C[C@H](C)C[C@H]21	ZINC000056871310	560083207	/nfs/dbraw/zinc/08/32/07/560083207.db2.gz	QRIZONDFXOOWTA-MREYPERPSA-N	2	2	483.741	4.771	10	0	biogenic,in-vitro	JJAELP
CC(C)Oc1cc2[nH+]cc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CC[NH+](C)CC1	ZINC000040919187	563156547	/nfs/dbraw/zinc/15/65/47/563156547.db2.gz	SISPHKIVBBRCSU-UHFFFAOYSA-N	2	2	488.419	4.923	10	0		JJAELP
Oc1cccc(C[N@@H+]2CCOc3ccc(C[NH+]4CCC(OCc5ccccc5)CC4)cc3C2)c1	ZINC000012278877	526358904	/nfs/dbraw/zinc/35/89/04/526358904.db2.gz	KLYRQSCEPFVMBF-UHFFFAOYSA-N	2	2	458.602	4.968	10	0		JJAELP
Oc1cccc(C[N@H+]2CCOc3ccc(C[NH+]4CCC(OCc5ccccc5)CC4)cc3C2)c1	ZINC000012278877	526358911	/nfs/dbraw/zinc/35/89/11/526358911.db2.gz	KLYRQSCEPFVMBF-UHFFFAOYSA-N	2	2	458.602	4.968	10	0		JJAELP
COc1ccc(F)c(C[N@@H+]2CCOc3ccc(C[NH+]4CCC(Oc5cccnc5)CC4)cc3C2)c1	ZINC000011790694	562957673	/nfs/dbraw/zinc/95/76/73/562957673.db2.gz	YZOPXCKIOURDSI-UHFFFAOYSA-N	2	2	477.580	4.667	10	0		JJAELP
COc1ccc(F)c(C[N@H+]2CCOc3ccc(C[NH+]4CCC(Oc5cccnc5)CC4)cc3C2)c1	ZINC000011790694	562957674	/nfs/dbraw/zinc/95/76/74/562957674.db2.gz	YZOPXCKIOURDSI-UHFFFAOYSA-N	2	2	477.580	4.667	10	0		JJAELP
NC(=O)C1([NH+]2CCCCC2)CC[NH+](CCCN2c3ccccc3CCc3ccc(Cl)cc32)CC1	ZINC000000608266	553711490	/nfs/dbraw/zinc/71/14/90/553711490.db2.gz	QAZKXHSIKKNOHH-UHFFFAOYSA-N	2	2	481.084	4.773	10	0	world	JJAELP
CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Br)c1OCc1ccccc1F	ZINC000010314032	555679144	/nfs/dbraw/zinc/67/91/44/555679144.db2.gz	OTBKXVOKFDPPGD-UHFFFAOYSA-N	2	2	462.363	4.942	10	0		JJAELP
COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)CC2)c(C)c1C	ZINC000012054896	555897901	/nfs/dbraw/zinc/89/79/01/555897901.db2.gz	VUUYKTXSBKJMBN-WBYFNBFHSA-N	2	2	487.688	4.772	10	0		JJAELP
C[C@@H](C[NH+]1CCC2(C[C@@H]2C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1)c1ccccc1	ZINC000012155534	555927826	/nfs/dbraw/zinc/92/78/26/555927826.db2.gz	GWUBCEPFUOALDO-BKCKMZINSA-N	2	2	457.662	4.750	10	0		JJAELP
C[C@H](C[NH+]1CCC2(C[C@H]2C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1)c1ccccc1	ZINC000012155552	555927831	/nfs/dbraw/zinc/92/78/31/555927831.db2.gz	GWUBCEPFUOALDO-QTEINEATSA-N	2	2	457.662	4.750	10	0		JJAELP
C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OCC[NH+]2CCN(C(=O)c3ccco3)CC2)cc1	ZINC000014884948	523186924	/nfs/dbraw/zinc/18/69/24/523186924.db2.gz	VJIGPDUXPFSGHR-UHFFFAOYSA-N	2	2	489.641	4.963	10	0		JJAELP
C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OCC[NH+]2CCN(C(=O)c3ccco3)CC2)cc1	ZINC000014884948	523186931	/nfs/dbraw/zinc/18/69/31/523186931.db2.gz	VJIGPDUXPFSGHR-UHFFFAOYSA-N	2	2	489.641	4.963	10	0		JJAELP
C[C@H](C[NH+]1CCC2(C[C@@H]2C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1)c1ccccc1	ZINC000012155539	555927837	/nfs/dbraw/zinc/92/78/37/555927837.db2.gz	GWUBCEPFUOALDO-LOQNRGMCSA-N	2	2	457.662	4.750	10	0		JJAELP
CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Br)c1OCc1ccc(C)cc1	ZINC000020874689	195235660	/nfs/dbraw/zinc/23/56/60/195235660.db2.gz	PPKGNZMBZYRKJY-UHFFFAOYSA-N	2	2	477.443	4.547	10	0		JJAELP
Brc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Br)c1OCc1ccccc1	ZINC000020477838	518205879	/nfs/dbraw/zinc/20/58/79/518205879.db2.gz	RHZXQISOUZCOGD-UHFFFAOYSA-N	2	2	498.259	4.603	10	0		JJAELP
COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)CC2)c(C)c1C	ZINC000012054894	555897883	/nfs/dbraw/zinc/89/78/83/555897883.db2.gz	VUUYKTXSBKJMBN-NRTJEHLZSA-N	2	2	487.688	4.772	10	0		JJAELP
COC(=O)CC[C@H]1C[N@H+](Cc2ccc(SC)cc2)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1	ZINC000011912798	555862016	/nfs/dbraw/zinc/86/20/16/555862016.db2.gz	FBPYHHRQVPUPGU-WIOPSUGQSA-N	2	2	485.669	4.514	10	0		JJAELP
COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(SC)cc2)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1	ZINC000011912798	555862020	/nfs/dbraw/zinc/86/20/20/555862020.db2.gz	FBPYHHRQVPUPGU-WIOPSUGQSA-N	2	2	485.669	4.514	10	0		JJAELP
C[C@@H](C[NH+]1CCC2(C[C@H]2C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1)c1ccccc1	ZINC000012155547	555927855	/nfs/dbraw/zinc/92/78/55/555927855.db2.gz	GWUBCEPFUOALDO-YXOYLGGTSA-N	2	2	457.662	4.750	10	0		JJAELP
COc1ccc(C[N@@H+]2CCOc3ccc(C[NH+]4CCC(Oc5cccnc5)CC4)cc3C2)cc1C	ZINC000011786237	562957648	/nfs/dbraw/zinc/95/76/48/562957648.db2.gz	CCQAXMHSLFDNOR-UHFFFAOYSA-N	2	2	473.617	4.837	10	0		JJAELP
COc1ccc(C[N@H+]2CCOc3ccc(C[NH+]4CCC(Oc5cccnc5)CC4)cc3C2)cc1C	ZINC000011786237	562957649	/nfs/dbraw/zinc/95/76/49/562957649.db2.gz	CCQAXMHSLFDNOR-UHFFFAOYSA-N	2	2	473.617	4.837	10	0		JJAELP