smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(F)ccc1Nc1cc(C2CC2)[nH+]c(NCCCO)n1	ZINC000328984139	444434294	/nfs/dbraw/zinc/43/42/94/444434294.db2.gz	HLWWGUPQLGQOPL-UHFFFAOYSA-N	1	2	347.350	1.783	40	5		EDBBLO
O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@]2(C1)COCc1cncnc12	ZINC000247314326	285137259	/nfs/dbraw/zinc/13/72/59/285137259.db2.gz	JQGCTKYZUCROFJ-KRWDZBQOSA-N	1	2	342.355	1.764	40	5		EDBBLO
O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@]2(C1)COCc1cncnc12	ZINC000247314326	285137261	/nfs/dbraw/zinc/13/72/61/285137261.db2.gz	JQGCTKYZUCROFJ-KRWDZBQOSA-N	1	2	342.355	1.764	40	5		EDBBLO
O=C(C[NH+]1CCC(NC(=O)C2CC2)CC1)Nc1ccccc1[N+](=O)[O-]	ZINC000004908997	210319830	/nfs/dbraw/zinc/31/98/30/210319830.db2.gz	LZYWAOAHHCJXLO-UHFFFAOYSA-N	1	2	346.387	1.524	40	5		EDBBLO
C[C@H](CO)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(C2CC2)[nH+]1	ZINC000329047767	444457599	/nfs/dbraw/zinc/45/75/99/444457599.db2.gz	UHKGWNXDJRTZGC-SECBINFHSA-N	1	2	347.350	1.781	40	5		EDBBLO
Cc1c(Nc2cc(C3CC3)[nH+]c(NCCO)n2)cccc1[N+](=O)[O-]	ZINC000329069704	444464077	/nfs/dbraw/zinc/46/40/77/444464077.db2.gz	YZYHXNVMLICACF-UHFFFAOYSA-N	1	2	329.360	1.562	40	5		EDBBLO
O=[N+]([O-])c1cc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)ccc1F	ZINC000328970375	444428941	/nfs/dbraw/zinc/42/89/41/444428941.db2.gz	DKIGCURTRCEEKM-UHFFFAOYSA-N	1	2	333.323	1.393	40	5		EDBBLO
C[C@@H](CO)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(C2CC2)[nH+]1	ZINC000329047770	444457624	/nfs/dbraw/zinc/45/76/24/444457624.db2.gz	UHKGWNXDJRTZGC-VIFPVBQESA-N	1	2	347.350	1.781	40	5		EDBBLO
CCOC(=O)[C@H]1C[C@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)[N@@H+]2CCC[C@H]12	ZINC000036044332	441605109	/nfs/dbraw/zinc/60/51/09/441605109.db2.gz	NHOQVTSGODSKOH-KHIZAZIESA-N	1	2	345.355	1.790	40	5		EDBBLO
CCOC(=O)[C@H]1C[C@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)[N@H+]2CCC[C@H]12	ZINC000036044332	441605112	/nfs/dbraw/zinc/60/51/12/441605112.db2.gz	NHOQVTSGODSKOH-KHIZAZIESA-N	1	2	345.355	1.790	40	5		EDBBLO
C[C@H](CO)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(C2CC2)[nH+]1	ZINC000329046008	444457010	/nfs/dbraw/zinc/45/70/10/444457010.db2.gz	TYXBROVYIDBENW-SECBINFHSA-N	1	2	347.350	1.781	40	5		EDBBLO
CNc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccncc2)[nH+]1	ZINC000329039610	444454584	/nfs/dbraw/zinc/45/45/84/444454584.db2.gz	RXVJJMVFCLMXKY-UHFFFAOYSA-N	1	2	336.355	1.944	40	5		EDBBLO
Nc1nc(N)c(CCCOc2ccc([N+](=O)[O-])cc2Cl)c(N)[nH+]1	ZINC000004771697	210275051	/nfs/dbraw/zinc/27/50/51/210275051.db2.gz	OBJMJAQIFIOIPF-UHFFFAOYSA-N	1	2	338.755	1.796	40	5		EDBBLO
Cc1c(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)cccc1[N+](=O)[O-]	ZINC000329035294	444452955	/nfs/dbraw/zinc/45/29/55/444452955.db2.gz	RCKFINUVAZEIGR-UHFFFAOYSA-N	1	2	343.387	1.952	40	5		EDBBLO
CC[NH+]1CCN(c2c([N+](=O)[O-])cc(C(=O)OC)cc2[N+](=O)[O-])CC1	ZINC000026508846	276387694	/nfs/dbraw/zinc/38/76/94/276387694.db2.gz	GSUSNTLETBITLV-UHFFFAOYSA-N	1	2	338.320	1.432	40	5		EDBBLO
COC(=O)[C@H]1C[C@@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)[N@@H+]2CCC[C@H]12	ZINC000034929114	213000614	/nfs/dbraw/zinc/00/06/14/213000614.db2.gz	INMSNIOAXIMXNT-OWRWGESLSA-N	1	2	331.328	1.400	40	5		EDBBLO
COC(=O)[C@H]1C[C@@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)[N@H+]2CCC[C@H]12	ZINC000034929114	213000617	/nfs/dbraw/zinc/00/06/17/213000617.db2.gz	INMSNIOAXIMXNT-OWRWGESLSA-N	1	2	331.328	1.400	40	5		EDBBLO
Cc1c(Nc2cc(C3CC3)[nH+]c(N[C@@H](C)CO)n2)cccc1[N+](=O)[O-]	ZINC000329023555	444449037	/nfs/dbraw/zinc/44/90/37/444449037.db2.gz	OUXCNWQDLAUJLI-JTQLQIEISA-N	1	2	343.387	1.951	40	5		EDBBLO
COc1ccc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)c([N+](=O)[O-])c1	ZINC000329070197	257901152	/nfs/dbraw/zinc/90/11/52/257901152.db2.gz	ZEPZXRIRXGZKLB-UHFFFAOYSA-N	1	2	345.359	1.262	40	5		EDBBLO
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCOCC1	ZINC000020242086	441262940	/nfs/dbraw/zinc/26/29/40/441262940.db2.gz	IGDZAHTUQNAMQJ-UHFFFAOYSA-N	1	2	339.417	1.276	40	5		EDBBLO
O=C(OCC[NH+]1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	ZINC000027529560	202156306	/nfs/dbraw/zinc/15/63/06/202156306.db2.gz	ZUWAFMOPGPGPRB-UHFFFAOYSA-N	1	2	348.311	1.190	40	5		EDBBLO
Cn1c(SCC[NH+]2CCOCC2)nnc1-c1ccc([N+](=O)[O-])cc1	ZINC000019289292	212011524	/nfs/dbraw/zinc/01/15/24/212011524.db2.gz	PIBURYGLJSHSPS-UHFFFAOYSA-N	1	2	349.416	1.815	40	5		EDBBLO
O=[N+]([O-])c1cc(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)ccc1F	ZINC000329037514	257903964	/nfs/dbraw/zinc/90/39/64/257903964.db2.gz	RNWWDXNUAFYVSX-UHFFFAOYSA-N	1	2	347.350	1.783	40	5		EDBBLO
O=[N+]([O-])c1cc(S(=O)(=O)NCCc2c[nH+]c[nH]2)ccc1Cl	ZINC000005728846	440966512	/nfs/dbraw/zinc/96/65/12/440966512.db2.gz	DVIZEMVGMHWAFQ-UHFFFAOYSA-N	1	2	330.753	1.492	40	5		EDBBLO
O=[N+]([O-])c1cc(S(=O)(=O)NCCc2c[nH]c[nH+]2)ccc1Cl	ZINC000005728846	440966516	/nfs/dbraw/zinc/96/65/16/440966516.db2.gz	DVIZEMVGMHWAFQ-UHFFFAOYSA-N	1	2	330.753	1.492	40	5		EDBBLO