smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1cccn2c(=O)c3cc(Br)ccc3nc12)N1CCN(c2cccc[nH+]2)CC1	ZINC000002957440	562926438	/nfs/dbraw/zinc/92/64/38/562926438.db2.gz	QJGZXVBWXZUMKW-UHFFFAOYSA-N	1	2	464.323	2.968	3	5		JFBFLO
CS(=O)(=O)N1CCN(c2cc3[nH+]cnc(NCCc4ccc(Cl)cc4)c3cc2[N+](=O)[O-])CC1	ZINC000027631205	563047593	/nfs/dbraw/zinc/04/75/93/563047593.db2.gz	FHXJEDKXOKPNTF-UHFFFAOYSA-N	1	2	490.973	2.928	1	5		JFBFLO
CC(=S)NC[C@H]1CN(c2ccc(N3CC[NH+](Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	ZINC000045256739	563182802	/nfs/dbraw/zinc/18/28/02/563182802.db2.gz	OBUKLNPIBHZVLB-KRWDZBQOSA-N	1	2	477.518	2.911	1	5		JFBFLO
CC(=O)NC[C@H]1CN(c2ccc(N3CC[NH+]([C@@H](C)c4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	ZINC000028861890	563083174	/nfs/dbraw/zinc/08/31/74/563083174.db2.gz	ZKQFJQMRWKFYHS-YOEHRIQHSA-N	1	2	475.477	2.671	1	5		JFBFLO
O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c(F)c1	ZINC000040406012	563140012	/nfs/dbraw/zinc/14/00/12/563140012.db2.gz	BJSZQHSFPNCEDK-IBGZPJMESA-N	1	2	481.488	2.673	1	5		JFBFLO
CC(=O)NC[C@H]1CN(c2ccc(N3CC[NH+](C/C=C/c4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	ZINC000040566895	563145861	/nfs/dbraw/zinc/14/58/61/563145861.db2.gz	JGCYSIJBVMNNCG-PHXNAMCJSA-N	1	2	487.488	2.624	1	5		JFBFLO
COc1cc2c3cnc4cc5c(cc4c3n(CCOC(=O)C[NH+](C)C)c(=O)c2cc1OC)OCO5	ZINC000043076747	563166727	/nfs/dbraw/zinc/16/67/27/563166727.db2.gz	SXYVRFJHEGRVHV-UHFFFAOYSA-N	1	2	479.489	2.554	1	5		JFBFLO
CCOC(=O)NC[C@H]1CN(c2ccc(N3CC[NH+](Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	ZINC000045256175	563182722	/nfs/dbraw/zinc/18/27/22/563182722.db2.gz	TXBKATZCNSJCNX-KRWDZBQOSA-N	1	2	491.476	2.720	1	5		JFBFLO
O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c1	ZINC000028572673	563071414	/nfs/dbraw/zinc/07/14/14/563071414.db2.gz	OEOZXZDMNLUEFM-QFIPXVFZSA-N	1	2	492.914	2.824	1	5		JFBFLO
O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c(F)c1	ZINC000040899272	563154544	/nfs/dbraw/zinc/15/45/44/563154544.db2.gz	OCOMWZZJGDCKEG-FQEVSTJZSA-N	1	2	481.488	2.673	1	5		JFBFLO
O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c(F)c1	ZINC000040899589	563154541	/nfs/dbraw/zinc/15/45/41/563154541.db2.gz	HMMXPEIFZKZZOG-FQEVSTJZSA-N	1	2	481.488	2.673	1	5		JFBFLO
CC(=O)NC[C@H]1CN(c2ccc(N3CC[NH+]([C@H](C)c4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	ZINC000028861888	563083176	/nfs/dbraw/zinc/08/31/76/563083176.db2.gz	ZKQFJQMRWKFYHS-PBHICJAKSA-N	1	2	475.477	2.671	1	5		JFBFLO
O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c1	ZINC000028572674	563071451	/nfs/dbraw/zinc/07/14/51/563071451.db2.gz	OEOZXZDMNLUEFM-JOCHJYFZSA-N	1	2	492.914	2.824	1	5		JFBFLO
CC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H](C)[N@H+](Cc4ccc([N+](=O)[O-])o4)[C@@H](C)C3)c(F)c2)C(=O)O1	ZINC000028525009	563067414	/nfs/dbraw/zinc/06/74/14/563067414.db2.gz	XPWXWIRXIBIACT-KHYOSLBOSA-N	1	2	489.504	2.887	1	5		JFBFLO
CC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H](C)[N@@H+](Cc4ccc([N+](=O)[O-])o4)[C@@H](C)C3)c(F)c2)C(=O)O1	ZINC000028525009	563067416	/nfs/dbraw/zinc/06/74/16/563067416.db2.gz	XPWXWIRXIBIACT-KHYOSLBOSA-N	1	2	489.504	2.887	1	5		JFBFLO