smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCOC(=O)c1ccc2nc([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc2c1	ZINC000020411468	528566483	/nfs/dbraw/zinc/56/64/83/528566483.db2.gz	YKHDGSPEAWDRMS-UHFFFAOYSA-N	-1	1	389.389	4.007	40	5		GIBBMM
O=C1S/C(=C/c2ccc([O-])c(Cl)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000214893781	570994625	/nfs/dbraw/zinc/99/46/25/570994625.db2.gz	QWKTVEYQAUXULV-OVCLIPMQSA-N	-1	1	390.804	4.190	40	5		GIBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1[N+](=O)[O-]	ZINC000013673536	570667194	/nfs/dbraw/zinc/66/71/94/570667194.db2.gz	VYWHUERYTOICHP-UHFFFAOYSA-N	-1	1	376.434	4.025	40	5		GIBBMM
COc1cc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C(C)C	ZINC000225422599	206048065	/nfs/dbraw/zinc/04/80/65/206048065.db2.gz	GOFHUHQDASPPLJ-UHFFFAOYSA-N	-1	1	378.450	4.144	40	5		GIBBMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl	ZINC000013679016	570667610	/nfs/dbraw/zinc/66/76/10/570667610.db2.gz	DOYZWOWVPNDRNN-UHFFFAOYSA-N	-1	1	375.233	4.152	40	5		GIBBMM
COc1cc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1C(C)C	ZINC000222684749	570751136	/nfs/dbraw/zinc/75/11/36/570751136.db2.gz	VCZKULMZVYZPFM-UHFFFAOYSA-N	-1	1	378.450	4.144	40	5		GIBBMM
Cc1c([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cccc1[N+](=O)[O-]	ZINC000038771933	821100319	/nfs/dbraw/zinc/10/03/19/821100319.db2.gz	FMTXCIUPWRXLCG-UHFFFAOYSA-N	-1	1	384.413	4.496	40	5		GIBBMM
O=c1[nH]c(C=Cc2ccc(OCc3ccccc3Cl)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409334868	231191436	/nfs/dbraw/zinc/19/14/36/231191436.db2.gz	WTNRGKOYRAZARL-YFHOEESVSA-N	-1	1	399.790	4.199	40	5		GIBBMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)cc1	ZINC000014398126	534346967	/nfs/dbraw/zinc/34/69/67/534346967.db2.gz	RNXKPOWDJUCWKE-UHFFFAOYSA-N	-1	1	398.440	4.283	40	5		GIBBMM
O=c1[nH]c(C=Cc2ccccc2OCc2ccc(Cl)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409341342	231192754	/nfs/dbraw/zinc/19/27/54/231192754.db2.gz	BIQUSTOOWKWNEK-YFHOEESVSA-N	-1	1	399.790	4.199	40	5		GIBBMM
COc1ccc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)cc1	ZINC000136390741	570473053	/nfs/dbraw/zinc/47/30/53/570473053.db2.gz	AHYYMIHQOOVWEL-UHFFFAOYSA-N	-1	1	390.808	4.028	40	5		GIBBMM
CCOc1ccc(Nc2[n-]c(=NNc3ccccc3)nc(C)c2[N+](=O)[O-])cc1	ZINC000005393482	570576022	/nfs/dbraw/zinc/57/60/22/570576022.db2.gz	VOHYZVXRNVLRME-UHFFFAOYSA-N	-1	1	380.408	4.275	40	5		GIBBMM
O=c1[nH]c(C=Cc2ccc(OCc3ccc(Cl)cc3)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409340560	231192730	/nfs/dbraw/zinc/19/27/30/231192730.db2.gz	ZHSDNUVYXJYTNR-YHYXMXQVSA-N	-1	1	399.790	4.199	40	5		GIBBMM
O=c1[nH]c(C=Cc2cccc(OCc3ccccc3Cl)c2)nc([O-])c1[N+](=O)[O-]	ZINC000409339121	231191526	/nfs/dbraw/zinc/19/15/26/231191526.db2.gz	FBYHHDXJKXABRH-HJWRWDBZSA-N	-1	1	399.790	4.199	40	5		GIBBMM
COc1ccc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])ccc3Cl)s2)cc1	ZINC000136300038	570554357	/nfs/dbraw/zinc/55/43/57/570554357.db2.gz	QCBVNYIYAMDYAO-UHFFFAOYSA-N	-1	1	390.808	4.028	40	5		GIBBMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1	ZINC000005598820	570665485	/nfs/dbraw/zinc/66/54/85/570665485.db2.gz	MWOOQPCWUNQHRD-UHFFFAOYSA-N	-1	1	384.413	4.496	40	5		GIBBMM
COc1c(F)c(F)c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c(F)c1F	ZINC000408619974	533427624	/nfs/dbraw/zinc/42/76/24/533427624.db2.gz	FKHPTJWGQKGNSG-UHFFFAOYSA-N	-1	1	378.665	4.066	40	5		GIBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2cc([N+](=O)[O-])ccc2-3)cc1	ZINC000001726009	212254011	/nfs/dbraw/zinc/25/40/11/212254011.db2.gz	FKPSYOXIVPSXKF-UHFFFAOYSA-N	-1	1	380.425	4.275	40	5		GIBBMM
Cc1nc(SCc2cccc(F)c2)[n-]c(=O)c1Cc1ccc([N+](=O)[O-])cc1	ZINC000015444062	221336105	/nfs/dbraw/zinc/33/61/05/221336105.db2.gz	RPGKWEWATWAZIO-UHFFFAOYSA-N	-1	1	385.420	4.421	40	5		GIBBMM