smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1cc([N+](=O)[O-])ccc1O)Nc1cccc(Cl)c1Cl	ZINC000025668819	564062671	/nfs/dbraw/zinc/06/26/71/564062671.db2.gz	GZOMTDYQJHIAGF-UHFFFAOYSA-N	0	2	342.138	4.251	50	5		EIBALN
Cc1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1[N+](=O)[O-]	ZINC000002868682	564120742	/nfs/dbraw/zinc/12/07/42/564120742.db2.gz	APAHKBUNWMOUCM-UHFFFAOYSA-N	0	2	341.150	4.168	50	5		EIBALN
COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccccc1SC	ZINC000005042003	563994024	/nfs/dbraw/zinc/99/40/24/563994024.db2.gz	QSFHOEYASDXLIY-UHFFFAOYSA-N	0	2	349.437	4.134	50	5		EIBALN
COC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc1-2	ZINC000004344388	210176562	/nfs/dbraw/zinc/17/65/62/210176562.db2.gz	IWMKLWJDGZMNGT-UHFFFAOYSA-N	0	2	346.338	4.057	50	5		EIBALN
COc1cc(/C=C(\Cl)c2nc3ccccc3o2)cc([N+](=O)[O-])c1O	ZINC000035310616	213019502	/nfs/dbraw/zinc/01/95/02/213019502.db2.gz	UEVISNWNIZHAFS-POHAHGRESA-N	0	2	346.726	4.187	50	5		EIBALN
Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1	ZINC000003876867	210082515	/nfs/dbraw/zinc/08/25/15/210082515.db2.gz	CAHBFWVEZIHBER-UHFFFAOYSA-N	0	2	348.424	4.002	50	5		EIBALN
O=[N+]([O-])c1ccc(/C=C\Sc2nc(C=Cc3cccs3)n[nH]2)o1	ZINC000098003903	1023634012	/nfs/dbraw/zinc/63/40/12/1023634012.db2.gz	YZSSYCDPHBUQJD-ADNKFJFNSA-N	0	2	346.393	4.301	50	5		EIBALN
Cc1cccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1[N+](=O)[O-]	ZINC000095980382	564143693	/nfs/dbraw/zinc/14/36/93/564143693.db2.gz	FFPBEEZUTFQZLY-UHFFFAOYSA-N	0	2	341.150	4.168	50	5		EIBALN
CC[C@H](C)n1c(=O)c2sc3ccc([N+](=O)[O-])cc3c2[nH]c1=S	ZINC000101486694	219128739	/nfs/dbraw/zinc/12/87/39/219128739.db2.gz	ITGATILNQMEVOW-ZETCQYMHSA-N	0	2	335.410	4.153	50	5		EIBALN
O=[N+]([O-])c1ccc(/C=C\Sc2nc(C=Cc3cccs3)n[nH]2)o1	ZINC000098003902	1023634736	/nfs/dbraw/zinc/63/47/36/1023634736.db2.gz	YZSSYCDPHBUQJD-PHSHQRSZSA-N	0	2	346.393	4.301	50	5		EIBALN
O=C(Nc1ccccc1S)c1cc2c(ccc3ccccc32)oc1=O	ZINC000004652990	210237883	/nfs/dbraw/zinc/23/78/83/210237883.db2.gz	AVRLBDZXOAAWQX-UHFFFAOYSA-N	0	2	347.395	4.487	50	5		EIBALN
Cc1ccc(C=C(Cl)c2nc(=O)c3sccc3[nH]2)cc1[N+](=O)[O-]	ZINC000097998076	219067634	/nfs/dbraw/zinc/06/76/34/219067634.db2.gz	SFDGWYFYCCJTKB-UXBLZVDNSA-N	0	2	347.783	4.350	50	5		EIBALN
O=[N+]([O-])c1ccc(/C=C/Sc2nc(C=Cc3cccs3)n[nH]2)o1	ZINC000014903267	564033068	/nfs/dbraw/zinc/03/30/68/564033068.db2.gz	YZSSYCDPHBUQJD-NNMZAIBHSA-N	0	2	346.393	4.301	50	5		EIBALN
CC[C@@H](C)n1c(=O)c2sc3ccc([N+](=O)[O-])cc3c2[nH]c1=S	ZINC000101486691	219129185	/nfs/dbraw/zinc/12/91/85/219129185.db2.gz	ITGATILNQMEVOW-SSDOTTSWSA-N	0	2	335.410	4.153	50	5		EIBALN
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2c1O	ZINC000004774857	210275059	/nfs/dbraw/zinc/27/50/59/210275059.db2.gz	VYLPTAIYPFRUCX-UHFFFAOYSA-N	0	2	342.738	4.359	50	5		EIBALN
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)c2ccccc2c1O	ZINC000004774861	210275671	/nfs/dbraw/zinc/27/56/71/210275671.db2.gz	UQJKBFSRGMKTIQ-UHFFFAOYSA-N	0	2	342.738	4.359	50	5		EIBALN