smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccccc2)[nH+]1	ZINC000329000653	571326564	/nfs/dbraw/zinc/32/65/64/571326564.db2.gz	KAPDTWYWPOHCFG-UHFFFAOYSA-N	1	2	367.384	3.599	40	5		FHBBLO
COC(=O)c1ccc(-n2c[nH+]cc2-c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000585294767	571127282	/nfs/dbraw/zinc/12/72/82/571127282.db2.gz	JWOPWHDKMDSZCG-UHFFFAOYSA-N	1	2	357.753	3.888	40	5		FHBBLO
C[C@H]1C(=O)[C@@H](C)[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000013151701	206300800	/nfs/dbraw/zinc/30/08/00/206300800.db2.gz	IVZWWWWEWLNVOI-FVEFGIFQSA-N	1	2	369.377	3.730	40	5		FHBBLO
CC[C@H](C)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(C2CC2)[nH+]1	ZINC000329060170	571326631	/nfs/dbraw/zinc/32/66/31/571326631.db2.gz	WJUYSYZZLQWEKO-JTQLQIEISA-N	1	2	361.833	3.713	40	5		FHBBLO
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1	ZINC000219855749	132275054	/nfs/dbraw/zinc/27/50/54/132275054.db2.gz	RDUJPIYBHCPZTH-UHFFFAOYSA-N	1	2	369.421	3.767	40	5		FHBBLO
C[C@H]1C(=O)[C@@H](C)[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000229861184	570645045	/nfs/dbraw/zinc/64/50/45/570645045.db2.gz	IVZWWWWEWLNVOI-KZBLUPIWSA-N	1	2	369.377	3.730	40	5		FHBBLO
Cc1c(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cccc1[N+](=O)[O-]	ZINC000328966247	571326567	/nfs/dbraw/zinc/32/65/67/571326567.db2.gz	CKBQGHKUTOQJKF-UHFFFAOYSA-N	1	2	367.453	3.903	40	5		FHBBLO
O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1	ZINC000328964618	571326546	/nfs/dbraw/zinc/32/65/46/571326546.db2.gz	BXFHYYUUFPLBDV-UHFFFAOYSA-N	1	2	373.844	3.858	40	5		FHBBLO
COC(=O)c1ccc(-n2c[nH+]cc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000585293786	570497486	/nfs/dbraw/zinc/49/74/86/570497486.db2.gz	AFOSJPRXKUHEKS-UHFFFAOYSA-N	1	2	357.753	3.888	40	5		FHBBLO
C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000033927863	571085446	/nfs/dbraw/zinc/08/54/46/571085446.db2.gz	IVZWWWWEWLNVOI-BMEPFDOTSA-N	1	2	369.377	3.730	40	5		FHBBLO
Cc1c(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)cccc1[N+](=O)[O-]	ZINC000329038619	210132806	/nfs/dbraw/zinc/13/28/06/210132806.db2.gz	RTJWDXWNDIFABV-UHFFFAOYSA-N	1	2	363.421	3.768	40	5		FHBBLO
COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c2ccccc2[nH+]c2ccccc21	ZINC000005460005	570627871	/nfs/dbraw/zinc/62/78/71/570627871.db2.gz	ZYTIIZFQADEFDA-UHFFFAOYSA-N	1	2	373.368	3.979	40	5		FHBBLO
C[C@H]1C(=O)[C@@H](C)[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000033927862	571085630	/nfs/dbraw/zinc/08/56/30/571085630.db2.gz	IVZWWWWEWLNVOI-CMKMFDCUSA-N	1	2	369.377	3.730	40	5		FHBBLO
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cn2cc[nH+]c2)cc1	ZINC000030945845	571349877	/nfs/dbraw/zinc/34/98/77/571349877.db2.gz	WCMAXRZIPIHBQU-UHFFFAOYSA-N	1	2	356.769	3.745	40	5		FHBBLO
CC[C@@H](C)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(C2CC2)[nH+]1	ZINC000329060173	210134953	/nfs/dbraw/zinc/13/49/53/210134953.db2.gz	WJUYSYZZLQWEKO-SNVBAGLBSA-N	1	2	361.833	3.713	40	5		FHBBLO
C[C@H]1C(=O)[C@@H](C)[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000013151699	220060289	/nfs/dbraw/zinc/06/02/89/220060289.db2.gz	IVZWWWWEWLNVOI-FRVJLOGJSA-N	1	2	369.377	3.730	40	5		FHBBLO
Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(C4CCCCC4)[nH+]c3c2)n1	ZINC000019825215	220302326	/nfs/dbraw/zinc/30/23/26/220302326.db2.gz	DHXMXWOKRLNKMF-UHFFFAOYSA-N	1	2	368.397	3.505	40	5		FHBBLO
COc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)c([N+](=O)[O-])c1	ZINC000328989725	571326540	/nfs/dbraw/zinc/32/65/40/571326540.db2.gz	ILXWRUUUSCKFQM-UHFFFAOYSA-N	1	2	357.414	3.647	40	5		FHBBLO
O=[N+]([O-])c1cc(F)ccc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1	ZINC000328959409	210127740	/nfs/dbraw/zinc/12/77/40/210127740.db2.gz	ATYXCHMYVKPYEK-UHFFFAOYSA-N	1	2	371.416	3.733	40	5		FHBBLO
C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000033927861	220754523	/nfs/dbraw/zinc/75/45/23/220754523.db2.gz	IVZWWWWEWLNVOI-GNTOHDJUSA-N	1	2	369.377	3.730	40	5		FHBBLO
CC(=O)c1ccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000008177585	571359627	/nfs/dbraw/zinc/35/96/27/571359627.db2.gz	KHKGWNJAVXCTSN-VMPITWQZSA-N	1	2	365.433	3.633	40	5		FHBBLO
Cc1c(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cccc1[N+](=O)[O-]	ZINC000328998601	223128345	/nfs/dbraw/zinc/12/83/45/223128345.db2.gz	JTJARRXUCGCNJC-UHFFFAOYSA-N	1	2	361.405	3.522	40	5		FHBBLO
CC(C)(C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(NC(C)(C)C)[nH+]1	ZINC000004595374	219590016	/nfs/dbraw/zinc/59/00/16/219590016.db2.gz	LFHJRXMMVKWQSM-UHFFFAOYSA-N	1	2	359.434	3.944	40	5		FHBBLO
Cc1c(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cccc1[N+](=O)[O-]	ZINC000329006802	223128355	/nfs/dbraw/zinc/12/83/55/223128355.db2.gz	LFQDJCVSVRJGNH-UHFFFAOYSA-N	1	2	353.426	3.513	40	5		FHBBLO
O=Cc1c(Cn2cc[nH+]c2)c2cc([N+](=O)[O-])ccc2n1Cc1ccccc1	ZINC000013220122	220061275	/nfs/dbraw/zinc/06/12/75/220061275.db2.gz	QEODFJMVDIPNKP-UHFFFAOYSA-N	1	2	360.373	3.655	40	5	in-vivo	FHBBLO
O=[N+]([O-])c1cc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)ccc1F	ZINC000328986407	534880827	/nfs/dbraw/zinc/88/08/27/534880827.db2.gz	HYIXPUXNUPMPHU-UHFFFAOYSA-N	1	2	371.416	3.733	40	5		FHBBLO