smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2CCC([NH2+][C@@H](C)c3cc(C)ccc3O)CC2)[nH+]c1	ZINC000185539426	1032440541	/nfs/dbraw/zinc/44/05/41/1032440541.db2.gz	KBZPIBXEHLWMPD-INIZCTEOSA-N	2	1	325.456	3.724	10	10		EHCEMP
Cn1cc[nH+]c1CC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1	ZINC000121767191	1025763541	/nfs/dbraw/zinc/76/35/41/1025763541.db2.gz	JTLCHPCBGMTTQU-UHFFFAOYSA-N	2	1	335.451	3.734	10	10		EHCEMP
CC[C@@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1ccccc1O	ZINC000185211422	1032370398	/nfs/dbraw/zinc/37/03/98/1032370398.db2.gz	MKLDWGBCILDMMZ-GOSISDBHSA-N	2	1	325.456	3.805	10	10		EHCEMP
Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(N(C)C)cc3)CC2)[nH+]1	ZINC000128116479	1027397124	/nfs/dbraw/zinc/39/71/24/1027397124.db2.gz	WCZJAFLGRQCMJB-KRWDZBQOSA-N	2	1	338.499	3.776	10	10		EHCEMP
CC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1ccccc1O	ZINC000185211403	1032369756	/nfs/dbraw/zinc/36/97/56/1032369756.db2.gz	MKLDWGBCILDMMZ-SFHVURJKSA-N	2	1	325.456	3.805	10	10		EHCEMP
Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(N(C)C)cc3)CC2)[nH+]c1	ZINC000163472628	1043962720	/nfs/dbraw/zinc/96/27/20/1043962720.db2.gz	XVYMVVRBAVBMCC-KRWDZBQOSA-N	2	1	338.499	3.776	10	10		EHCEMP
Cc1cccc(N2CCC([NH2+][C@@H](C)c3cc(F)ccc3O)CC2)[nH+]1	ZINC000185478292	1032401095	/nfs/dbraw/zinc/40/10/95/1032401095.db2.gz	FZPDTFHGBPSOFS-AWEZNQCLSA-N	2	1	329.419	3.554	10	10		EHCEMP
Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(N(C)C)cc3)CC2)[nH+]c1	ZINC000163472719	1043962544	/nfs/dbraw/zinc/96/25/44/1043962544.db2.gz	XVYMVVRBAVBMCC-QGZVFWFLSA-N	2	1	338.499	3.776	10	10		EHCEMP
Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)c(O)c1	ZINC000185478035	1032401549	/nfs/dbraw/zinc/40/15/49/1032401549.db2.gz	RTGVHPNTLMPPJE-INIZCTEOSA-N	2	1	325.456	3.724	10	10		EHCEMP
Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)c1	ZINC000185477627	1032401216	/nfs/dbraw/zinc/40/12/16/1032401216.db2.gz	LAZUIJQTXSVYJD-MRXNPFEDSA-N	2	1	325.456	3.724	10	10		EHCEMP
Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)c1	ZINC000185477646	1032402263	/nfs/dbraw/zinc/40/22/63/1032402263.db2.gz	LAZUIJQTXSVYJD-INIZCTEOSA-N	2	1	325.456	3.724	10	10		EHCEMP
Cc1cccc(N2CCC([NH2+][C@H](C)c3cc(F)ccc3O)CC2)[nH+]1	ZINC000185478309	1032401326	/nfs/dbraw/zinc/40/13/26/1032401326.db2.gz	FZPDTFHGBPSOFS-CQSZACIVSA-N	2	1	329.419	3.554	10	10		EHCEMP
Cc1ccc(N2CCC([NH2+][C@H](C)c3cc(C)ccc3O)CC2)[nH+]c1	ZINC000185539408	1032439941	/nfs/dbraw/zinc/43/99/41/1032439941.db2.gz	KBZPIBXEHLWMPD-MRXNPFEDSA-N	2	1	325.456	3.724	10	10		EHCEMP
Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)c(O)c1	ZINC000185478015	1032402018	/nfs/dbraw/zinc/40/20/18/1032402018.db2.gz	RTGVHPNTLMPPJE-MRXNPFEDSA-N	2	1	325.456	3.724	10	10		EHCEMP
Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(N(C)C)cc3)CC2)[nH+]1	ZINC000128116710	1027398165	/nfs/dbraw/zinc/39/81/65/1027398165.db2.gz	WCZJAFLGRQCMJB-QGZVFWFLSA-N	2	1	338.499	3.776	10	10		EHCEMP
Cc1cc(Cl)cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1O	ZINC000180116311	1031801831	/nfs/dbraw/zinc/80/18/31/1031801831.db2.gz	YNHZMCRYXSOHPA-UHFFFAOYSA-N	2	1	333.863	3.542	10	10		EHCEMP