smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(=O)c2nc3ccc(NC(=O)/C=C/C(=O)[O-])cc3nc2n(C)c1=O	ZINC000000723627	483394865	/nfs/dbraw/zinc/39/48/65/483394865.db2.gz	JVCQIJODMUKXHI-AATRIKPKSA-N	-1	0	355.310	-0.240	50	5		FBBARM
Cn1c(=O)c2nc3ccc(NC(=O)CCC(=O)[O-])cc3nc2n(C)c1=O	ZINC000001228678	485138373	/nfs/dbraw/zinc/13/83/73/485138373.db2.gz	FSTPRIUQSFLBJH-UHFFFAOYSA-N	-1	0	357.326	-0.016	50	5		FBBARM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])[C@@H]2SC1	ZINC000002739634	204054108	/nfs/dbraw/zinc/05/41/08/204054108.db2.gz	ZMFSXXOYPIRZKZ-UFBFGSQYSA-N	-1	0	367.343	-0.300	50	5		FBBARM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])[C@H]2SC1	ZINC000002739635	484918171	/nfs/dbraw/zinc/91/81/71/484918171.db2.gz	ZMFSXXOYPIRZKZ-QPUJVOFHSA-N	-1	0	367.343	-0.300	50	5		FBBARM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])[C@@H]2SC1	ZINC000002739636	204054909	/nfs/dbraw/zinc/05/49/09/204054909.db2.gz	ZMFSXXOYPIRZKZ-PELKAZGASA-N	-1	0	367.343	-0.300	50	5		FBBARM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])[C@H]2SC1	ZINC000002739637	204054646	/nfs/dbraw/zinc/05/46/46/204054646.db2.gz	ZMFSXXOYPIRZKZ-PRHODGIISA-N	-1	0	367.343	-0.300	50	5		FBBARM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c([N+](=O)[O-])cnn3C)[C@@H]2SC1	ZINC000002785741	484932319	/nfs/dbraw/zinc/93/23/19/484932319.db2.gz	OCDBWEBUOISLDF-MADCSZMMSA-N	-1	0	367.343	-0.300	50	5		FBBARM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c([N+](=O)[O-])cnn3C)[C@H]2SC1	ZINC000002785742	204057267	/nfs/dbraw/zinc/05/72/67/204057267.db2.gz	OCDBWEBUOISLDF-JVXZTZIISA-N	-1	0	367.343	-0.300	50	5		FBBARM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3c([N+](=O)[O-])cnn3C)[C@@H]2SC1	ZINC000002785743	219464143	/nfs/dbraw/zinc/46/41/43/219464143.db2.gz	OCDBWEBUOISLDF-KRTXAFLBSA-N	-1	0	367.343	-0.300	50	5		FBBARM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3c([N+](=O)[O-])cnn3C)[C@H]2SC1	ZINC000002785744	204056962	/nfs/dbraw/zinc/05/69/62/204056962.db2.gz	OCDBWEBUOISLDF-JMCQJSRRSA-N	-1	0	367.343	-0.300	50	5		FBBARM
O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCN(c2n[nH]c(=O)[n-]c2=O)CC1	ZINC000003239610	132384986	/nfs/dbraw/zinc/38/49/86/132384986.db2.gz	JJFBTJQXNQVJOH-AATRIKPKSA-N	-1	0	372.341	-0.272	50	5		FBBARM
O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2n[nH]c(=O)[n-]c2=O)CC1	ZINC000003244554	132384962	/nfs/dbraw/zinc/38/49/62/132384962.db2.gz	KLNZFJRFPYDJON-UHFFFAOYSA-N	-1	0	352.332	-0.610	50	5		FBBARM
Cn1c(=O)c2nc3ccc(NC(=O)/C=C\C(=O)[O-])cc3nc2n(C)c1=O	ZINC000006090835	206201340	/nfs/dbraw/zinc/20/13/40/206201340.db2.gz	JVCQIJODMUKXHI-WAYWQWQTSA-N	-1	0	355.310	-0.240	50	5		FBBARM
CC(=O)NCCNc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000009338764	207266711	/nfs/dbraw/zinc/26/67/11/207266711.db2.gz	CESSUSCPWMEJJB-UHFFFAOYSA-N	-1	0	374.375	-0.104	50	5		FBBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(OC)cc3[N+](=O)[O-])c(=O)c1-2	ZINC000009462521	485139936	/nfs/dbraw/zinc/13/99/36/485139936.db2.gz	MYUAPUCZCULGHQ-GHMZBOCLSA-N	-1	0	362.298	-0.016	50	5		FBBARM
Cn1cc(C(=O)[O-])c(C(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000020616087	527172873	/nfs/dbraw/zinc/17/28/73/527172873.db2.gz	SPMLWKMVSCZMMW-AAEUAGOBSA-N	-1	0	364.314	-0.149	50	5		FBBARM
Cn1cc(C(=O)[O-])c(C(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000020616089	484855339	/nfs/dbraw/zinc/85/53/39/484855339.db2.gz	SPMLWKMVSCZMMW-YPMHNXCESA-N	-1	0	364.314	-0.149	50	5		FBBARM
Cn1cc(C(=O)[O-])c(C(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000020616091	484856188	/nfs/dbraw/zinc/85/61/88/484856188.db2.gz	SPMLWKMVSCZMMW-WCQYABFASA-N	-1	0	364.314	-0.149	50	5		FBBARM
Cn1cc(C(=O)[O-])c(C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000020616093	527173276	/nfs/dbraw/zinc/17/32/76/527173276.db2.gz	SPMLWKMVSCZMMW-DGCLKSJQSA-N	-1	0	364.314	-0.149	50	5		FBBARM
Cn1ncc(C(=O)[O-])c1C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000020616602	484855991	/nfs/dbraw/zinc/85/59/91/484855991.db2.gz	LDAXLKKQGVHJFU-AAEUAGOBSA-N	-1	0	364.314	-0.149	50	5		FBBARM
Cn1ncc(C(=O)[O-])c1C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000020616604	484855128	/nfs/dbraw/zinc/85/51/28/484855128.db2.gz	LDAXLKKQGVHJFU-YPMHNXCESA-N	-1	0	364.314	-0.149	50	5		FBBARM
Cn1ncc(C(=O)[O-])c1C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000020616606	484855527	/nfs/dbraw/zinc/85/55/27/484855527.db2.gz	LDAXLKKQGVHJFU-WCQYABFASA-N	-1	0	364.314	-0.149	50	5		FBBARM
Cn1ncc(C(=O)[O-])c1C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000020616608	220335932	/nfs/dbraw/zinc/33/59/32/220335932.db2.gz	LDAXLKKQGVHJFU-DGCLKSJQSA-N	-1	0	364.314	-0.149	50	5		FBBARM
O=C1N=c2ccc([N+](=O)[O-])cc2=C1NNc1ccc(S(=O)(=O)[O-])cc1	ZINC000038181771	205040531	/nfs/dbraw/zinc/04/05/31/205040531.db2.gz	CCDBCCMZSAXIAO-UHFFFAOYSA-N	-1	0	362.323	-0.274	50	5		FBBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(OC)cc3[N+](=O)[O-])c(=O)c1-2	ZINC000101013232	222259300	/nfs/dbraw/zinc/25/93/00/222259300.db2.gz	MYUAPUCZCULGHQ-WDEREUQCSA-N	-1	0	362.298	-0.016	50	5		FBBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(OC)cc3[N+](=O)[O-])c(=O)c1-2	ZINC000101013234	209220799	/nfs/dbraw/zinc/22/07/99/209220799.db2.gz	MYUAPUCZCULGHQ-QWRGUYRKSA-N	-1	0	362.298	-0.016	50	5		FBBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(OC)cc3[N+](=O)[O-])c(=O)c1-2	ZINC000101013239	222259451	/nfs/dbraw/zinc/25/94/51/222259451.db2.gz	MYUAPUCZCULGHQ-MNOVXSKESA-N	-1	0	362.298	-0.016	50	5		FBBARM