smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)c(O)c1	ZINC000005138657	204114433	/nfs/dbraw/zinc/11/44/33/204114433.db2.gz	BQGVCWLQFXUBCI-UHFFFAOYSA-N	1	0	379.441	4.209	10	10		GICERO
Fc1cc(F)cc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2ccc3c(c2)CCO3)c1	ZINC000011879596	204360781	/nfs/dbraw/zinc/36/07/81/204360781.db2.gz	XNPHZDNBXNGEGX-HXUWFJFHSA-N	1	0	381.426	4.253	10	10		GICERO
Cc1ccc(O)c(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000036347788	205012828	/nfs/dbraw/zinc/01/28/28/205012828.db2.gz	NQCJWHFUYMEHAZ-JOCHJYFZSA-N	1	0	377.444	4.406	10	10		GICERO
CC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1	ZINC000040415994	205065318	/nfs/dbraw/zinc/06/53/18/205065318.db2.gz	BEAGQLRPRHNCAC-UHFFFAOYSA-N	1	0	383.511	4.218	10	10		GICERO
CC[NH+]1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C[C@@H](c1ccccc1O)N2	ZINC000065297931	205228063	/nfs/dbraw/zinc/22/80/63/205228063.db2.gz	WDLRXANSAPFSJZ-QFIPXVFZSA-N	1	0	377.532	4.345	10	10		GICERO
C[C@H](NCC[N+](C)(C)C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)cc1	ZINC000033506350	717121037	/nfs/dbraw/zinc/12/10/37/717121037.db2.gz	ZLIAPVSADVSNMH-KGHZBTQCSA-N	1	0	381.460	4.239	10	10		GICERO
CCN(CC[n+]1ccccc1)c1ccc(/N=N/c2ncc([N+](=O)[O-])s2)cc1	ZINC000005316552	203825841	/nfs/dbraw/zinc/82/58/41/203825841.db2.gz	RGZAXFFJCHYMEV-QZQOTICOSA-N	1	0	383.457	4.281	10	10		GICERO
COc1cc(C)cc2ccc(-c3ccc4c(c3O)[C@@H](C)[NH2+][C@H](C)[C@@H]4O)c(O)c21	ZINC000030727987	291137703	/nfs/dbraw/zinc/13/77/03/291137703.db2.gz	NNCITNDNYQWFCU-ZNLKAECVSA-N	1	0	379.456	4.321	10	10	biogenic,in-vitro	GICERO
CC[NH+]1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C[C@H](c1ccccc1O)N2	ZINC000065297933	205227397	/nfs/dbraw/zinc/22/73/97/205227397.db2.gz	WDLRXANSAPFSJZ-JOCHJYFZSA-N	1	0	377.532	4.345	10	10		GICERO
CCN(c1ccc(N=[N+]=c2sc3cc(OC)ccc3n2C)cc1)[C@@H](C)CO	ZINC000005139644	206293299	/nfs/dbraw/zinc/29/32/99/206293299.db2.gz	LKRIHGDWJYRZGG-AWEZNQCLSA-N	1	0	385.513	4.357	10	10		GICERO
CCN(C[C@@H](C)O)c1ccc(N=[N+]=c2sc3cc(OC)ccc3n2C)cc1	ZINC000005139620	206292955	/nfs/dbraw/zinc/29/29/55/206292955.db2.gz	DTSFXCZNIHDJTM-CQSZACIVSA-N	1	0	385.513	4.357	10	10		GICERO
O[C@@]1(c2ccc(Cl)c(Cl)c2)CN(c2ccccc2)C2=[N+]1CCCS2	ZINC000022404195	207254345	/nfs/dbraw/zinc/25/43/45/207254345.db2.gz	QOTBSKBRQYGKSK-GOSISDBHSA-N	1	0	380.320	4.164	10	10		GICERO
C[NH+](C)Cc1cc2oc(C(F)(F)F)c(Oc3ccccc3)c(=O)c2cc1O	ZINC000005912733	570461495	/nfs/dbraw/zinc/46/14/95/570461495.db2.gz	UFBIHGBJNZAUDJ-UHFFFAOYSA-N	1	0	379.334	4.371	10	10		GICERO
O[C@]1(c2ccc(Cl)c(Cl)c2)CN(c2ccccc2)C2=[N+]1CCCS2	ZINC000022404197	207253940	/nfs/dbraw/zinc/25/39/40/207253940.db2.gz	QOTBSKBRQYGKSK-SFHVURJKSA-N	1	0	380.320	4.164	10	10		GICERO
COc1cc(CO)c(-c2ccc3c(c2O)[C@@H](C)[NH2+][C@H](C)C3)c2cccc(O)c12	ZINC000004654686	560198917	/nfs/dbraw/zinc/19/89/17/560198917.db2.gz	ZQSUAGVTKAZDJV-CHWSQXEVSA-N	1	0	379.456	4.014	10	10	biogenic,in-vitro	GICERO
Cc1ccc(O)c(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000036347787	570630420	/nfs/dbraw/zinc/63/04/20/570630420.db2.gz	NQCJWHFUYMEHAZ-QFIPXVFZSA-N	1	0	377.444	4.406	10	10		GICERO
CCN(CC)c1ccc(/N=N/c2cc[n+](CCO)n2Cc2ccccc2)cc1	ZINC000005139437	209231036	/nfs/dbraw/zinc/23/10/36/209231036.db2.gz	DMYDUMXQSUAKFU-UHFFFAOYSA-N	1	0	378.500	4.078	10	10		GICERO
C[C@@H](NCC[N+](C)(C)C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)cc1	ZINC000033506349	717121051	/nfs/dbraw/zinc/12/10/51/717121051.db2.gz	ZLIAPVSADVSNMH-XGBCSFPLSA-N	1	0	381.460	4.239	10	10		GICERO
Cc1ccc(C)n1Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1	ZINC000504208034	533726753	/nfs/dbraw/zinc/72/67/53/533726753.db2.gz	JYORXJOTXPFKMG-PKTZIBPZSA-N	1	0	379.548	4.148	10	10		GICERO
Cc1ccc(C)n1Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1	ZINC000504208033	533726506	/nfs/dbraw/zinc/72/65/06/533726506.db2.gz	JYORXJOTXPFKMG-DHIUTWEWSA-N	1	0	379.548	4.148	10	10		GICERO