smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(O)c1	ZINC000788638778	1077242803	/nfs/dbraw/zinc/24/28/03/1077242803.db2.gz	JNAPEBSGNFLMTD-RBUKOAKNSA-N	2	2	411.550	2.955	20	10		HFCDLP
Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(O)c1	ZINC000788638777	1077242897	/nfs/dbraw/zinc/24/28/97/1077242897.db2.gz	JNAPEBSGNFLMTD-OALUTQOASA-N	2	2	411.550	2.955	20	10		HFCDLP
Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(O)c1	ZINC000788638779	1077242857	/nfs/dbraw/zinc/24/28/57/1077242857.db2.gz	JNAPEBSGNFLMTD-RTBURBONSA-N	2	2	411.550	2.955	20	10		HFCDLP
COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)[C@H]1C	ZINC000792893011	1078018178	/nfs/dbraw/zinc/01/81/78/1078018178.db2.gz	JTUSHTLQNGXVSN-CNNODRBYSA-N	2	2	403.567	2.775	20	10		HFCDLP
COc1cc(Br)cc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c1O	ZINC000793370834	1078151566	/nfs/dbraw/zinc/15/15/66/1078151566.db2.gz	RXXOKZUOKPTIPK-UHFFFAOYSA-N	2	2	408.296	2.889	20	10		HFCDLP
COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)CC2)cc1	ZINC000806128088	1079457582	/nfs/dbraw/zinc/45/75/82/1079457582.db2.gz	NUXJAAOHNNEOFM-APWZRJJASA-N	2	2	401.473	2.907	20	10		HFCDLP
COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)CC2)cc1	ZINC000806128090	1079457673	/nfs/dbraw/zinc/45/76/73/1079457673.db2.gz	NUXJAAOHNNEOFM-QFBILLFUSA-N	2	2	401.473	2.907	20	10		HFCDLP
COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)[C@H]1C	ZINC000792893013	1078018304	/nfs/dbraw/zinc/01/83/04/1078018304.db2.gz	JTUSHTLQNGXVSN-IPJJNNNSSA-N	2	2	403.567	2.775	20	10		HFCDLP
Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(O)c1	ZINC000788638776	1077242504	/nfs/dbraw/zinc/24/25/04/1077242504.db2.gz	JNAPEBSGNFLMTD-MOPGFXCFSA-N	2	2	411.550	2.955	20	10		HFCDLP
COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)CC2)cc1	ZINC000806128089	1079457685	/nfs/dbraw/zinc/45/76/85/1079457685.db2.gz	NUXJAAOHNNEOFM-LPHOPBHVSA-N	2	2	401.473	2.907	20	10		HFCDLP
COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)[C@@H]1C	ZINC000792893014	1078018264	/nfs/dbraw/zinc/01/82/64/1078018264.db2.gz	JTUSHTLQNGXVSN-XQBPLPMBSA-N	2	2	403.567	2.775	20	10		HFCDLP
COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)[C@@H]1C	ZINC000792893012	1078018196	/nfs/dbraw/zinc/01/81/96/1078018196.db2.gz	JTUSHTLQNGXVSN-DXIQSLLYSA-N	2	2	403.567	2.775	20	10		HFCDLP
COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)CC2)cc1	ZINC000806128091	1079457591	/nfs/dbraw/zinc/45/75/91/1079457591.db2.gz	NUXJAAOHNNEOFM-VQIMIIECSA-N	2	2	401.473	2.907	20	10		HFCDLP
CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(c3[nH+]cc4n3CCCC4)CC1)cc2=O	ZINC000789356081	1077514861	/nfs/dbraw/zinc/51/48/61/1077514861.db2.gz	FYMFHNXGXZLVSN-UHFFFAOYSA-N	2	2	424.505	2.524	20	10		HFCDLP
CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CCCn3cc[nH+]c3C)cc2F)CC1	ZINC000747404096	1080771307	/nfs/dbraw/zinc/77/13/07/1080771307.db2.gz	ZZSOADHDOGFQGN-UHFFFAOYSA-N	2	2	416.545	2.704	20	10		HFCDLP