smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)CCN(CC(=O)N1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006397490	204177256	/nfs/dbraw/zinc/17/72/56/204177256.db2.gz	AMEUOZKUIOSQGY-UHFFFAOYSA-N	0	3	390.484	2.391	40	5		GEBBHN
CCN(CC)CCCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000575423116	570308950	/nfs/dbraw/zinc/30/89/50/570308950.db2.gz	YGAMGGYOIOCBKG-GOSISDBHSA-N	0	3	383.514	2.316	40	5		GEBBHN
O=C1C[C@@H]2OCC=C3CN4CC[C@@]56c7cc([N+](=O)[O-])ccc7N1[C@@H]5[C@@H]2[C@@H]3C[C@@H]46	ZINC000169310475	570478701	/nfs/dbraw/zinc/47/87/01/570478701.db2.gz	PUIXISQSCVEHKU-XVEMZMANSA-N	0	3	379.416	2.001	40	5		GEBBHN
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-]	ZINC000113941846	136192124	/nfs/dbraw/zinc/19/21/24/136192124.db2.gz	DNXVTEFKSGAZAH-UHFFFAOYSA-N	0	3	390.465	2.456	40	5		GEBBHN
O=C1C[C@H]2OCC=C3CN4CC[C@@]56c7cc([N+](=O)[O-])ccc7N1[C@@H]5[C@@H]2[C@@H]3C[C@@H]46	ZINC000169310478	570478792	/nfs/dbraw/zinc/47/87/92/570478792.db2.gz	PUIXISQSCVEHKU-KGSDWGHESA-N	0	3	379.416	2.001	40	5		GEBBHN
Cc1c(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)cccc1[N+](=O)[O-]	ZINC000329055344	206242217	/nfs/dbraw/zinc/24/22/17/206242217.db2.gz	VMYXGWFBRFKNSC-UHFFFAOYSA-N	0	3	384.362	2.273	40	5		GEBBHN
CN(C)CCNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccncc2)n1	ZINC000329013102	206241082	/nfs/dbraw/zinc/24/10/82/206241082.db2.gz	MOSDAUJIOMHQFR-UHFFFAOYSA-N	0	3	397.414	2.147	40	5		GEBBHN
Cc1c(Nc2cc(-c3ccncc3)nc(NCCN(C)C)n2)cccc1[N+](=O)[O-]	ZINC000329040813	209157228	/nfs/dbraw/zinc/15/72/28/209157228.db2.gz	SGBSNVUEPWVYCP-UHFFFAOYSA-N	0	3	393.451	2.316	40	5		GEBBHN
CN(C)CCNc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2ccccn2)n1	ZINC000329014893	209155471	/nfs/dbraw/zinc/15/54/71/209155471.db2.gz	MZKWFNRFUZJWDU-UHFFFAOYSA-N	0	3	397.414	2.147	40	5		GEBBHN
CN(C)CCNc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccccc2)n1	ZINC000329071358	209162015	/nfs/dbraw/zinc/16/20/15/209162015.db2.gz	ZOZSVJSTLDUAQE-UHFFFAOYSA-N	0	3	392.463	2.481	40	5		GEBBHN
CN(C)CCNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(C(F)(F)F)n1	ZINC000329063923	209159897	/nfs/dbraw/zinc/15/98/97/209159897.db2.gz	XGMUUEPXNJLQNR-UHFFFAOYSA-N	0	3	388.325	2.104	40	5		GEBBHN
CN(C)CCNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccccn2)n1	ZINC000328970333	209154375	/nfs/dbraw/zinc/15/43/75/209154375.db2.gz	DJAOPSDCDLMMDG-UHFFFAOYSA-N	0	3	397.414	2.147	40	5		GEBBHN
CCN(CC)CCCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1	ZINC000575423118	570308893	/nfs/dbraw/zinc/30/88/93/570308893.db2.gz	YGAMGGYOIOCBKG-SFHVURJKSA-N	0	3	383.514	2.316	40	5		GEBBHN
CN(C)CCNc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2cccnc2)n1	ZINC000329050100	212094916	/nfs/dbraw/zinc/09/49/16/212094916.db2.gz	UTAWMFIYACTILH-UHFFFAOYSA-N	0	3	397.414	2.147	40	5		GEBBHN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1	ZINC000113942558	136192205	/nfs/dbraw/zinc/19/22/05/136192205.db2.gz	YBSTUOWNGVRUHL-UHFFFAOYSA-N	0	3	390.465	2.456	40	5		GEBBHN
O=C1CCOC[C@]2(CN(Cc3ccccc3)C[C@H]2c2cccc([N+](=O)[O-])c2)N1	ZINC000057774627	212132739	/nfs/dbraw/zinc/13/27/39/212132739.db2.gz	JVMISKOEQYWPEK-FPOVZHCZSA-N	0	3	381.432	2.470	40	5		GEBBHN
CN(C)CCNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2cccnc2)n1	ZINC000328980858	212092858	/nfs/dbraw/zinc/09/28/58/212092858.db2.gz	GQKDOKUOAVLOBW-UHFFFAOYSA-N	0	3	397.414	2.147	40	5		GEBBHN