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-])c1ccc(N2CC[NH2+]CC2)cc1-n1cc[nH+]c1	ZINC000020436144	285126365	/nfs/dbraw/zinc/12/63/65/285126365.db2.gz	CCMPTXINMXLAHM-UHFFFAOYSA-N	2	2	273.296	1.190	40	5		CDBBLP
Cc1ccc(C[NH+]2C[C@@H]3C[NH+](C)C[C@H]3C2)cc1[N+](=O)[O-]	ZINC000063527663	364783888	/nfs/dbraw/zinc/78/38/88/364783888.db2.gz	SYQSMGURBYNROC-KBPBESRZSA-N	2	2	275.352	1.897	40	5		CDBBLP
[NH3+]CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000032113440	279138872	/nfs/dbraw/zinc/13/88/72/279138872.db2.gz	WJKKDSLRANDQMF-UHFFFAOYSA-N	2	2	264.329	1.066	40	5		CDBBLP
O=[N+]([O-])c1ccc(NCC[NH2+][C@@H]2C[NH+]3CCC2CC3)cc1	ZINC000010012471	170394872	/nfs/dbraw/zinc/39/48/72/170394872.db2.gz	HTBBILDBQULJJX-OAHLLOKOSA-N	2	2	290.367	1.691	40	5		CDBBLP
NC(=[NH2+])NC(=[NH2+])Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000004280783	360787783	/nfs/dbraw/zinc/78/77/83/360787783.db2.gz	OMNGXFHABAOJMD-UHFFFAOYSA-N	2	2	256.653	1.078	40	5		CDBBLP
O=[N+]([O-])c1ccc(NCC[NH2+][C@H]2C[NH+]3CCC2CC3)cc1	ZINC000010012473	170395002	/nfs/dbraw/zinc/39/50/02/170395002.db2.gz	HTBBILDBQULJJX-HNNXBMFYSA-N	2	2	290.367	1.691	40	5		CDBBLP
Cc1ccc(C[NH+]2C[C@H]3C[NH+](C)C[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000063527662	364783573	/nfs/dbraw/zinc/78/35/73/364783573.db2.gz	SYQSMGURBYNROC-ZIAGYGMSSA-N	2	2	275.352	1.897	40	5		CDBBLP
Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1[N+](=O)[O-]	ZINC000063527661	364783604	/nfs/dbraw/zinc/78/36/04/364783604.db2.gz	SYQSMGURBYNROC-OKILXGFUSA-N	2	2	275.352	1.897	40	5		CDBBLP
Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1[N+](=O)[O-]	ZINC000063527661	364783613	/nfs/dbraw/zinc/78/36/13/364783613.db2.gz	SYQSMGURBYNROC-OKILXGFUSA-N	2	2	275.352	1.897	40	5		CDBBLP
Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1[N+](=O)[O-]	ZINC000063527661	364783619	/nfs/dbraw/zinc/78/36/19/364783619.db2.gz	SYQSMGURBYNROC-OKILXGFUSA-N	2	2	275.352	1.897	40	5		CDBBLP
Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1[N+](=O)[O-]	ZINC000063527661	364783625	/nfs/dbraw/zinc/78/36/25/364783625.db2.gz	SYQSMGURBYNROC-OKILXGFUSA-N	2	2	275.352	1.897	40	5		CDBBLP