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([C@H](Nn2cnnc2)[P@@](=O)([O-])O)cc1	ZINC000016401190	388790627	/nfs/dbraw/zinc/79/06/27/388790627.db2.gz	UDJOQBAQGVAKHG-SECBINFHSA-N	-1	1	299.183	0.606	40	5		CCBBMM
COC(=O)CC(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005354243	170089103	/nfs/dbraw/zinc/08/91/03/170089103.db2.gz	SNVPIOXZGPHISA-UHFFFAOYSA-N	-1	1	266.209	0.414	40	5		CCBBMM
O=C([N-]c1ccccc1[N+](=O)[O-])c1n[nH]cc1[N+](=O)[O-]	ZINC000005717369	261068544	/nfs/dbraw/zinc/06/85/44/261068544.db2.gz	ZRQBUAFMWYJQHR-QMMMGPOBSA-N	-1	1	277.196	0.619	40	5		CCBBMM
O=C1[N-]C(=S)NC1=Cc1ccc2c(c1[N+](=O)[O-])OCO2	ZINC000408822199	389376754	/nfs/dbraw/zinc/37/67/54/389376754.db2.gz	IISIGFJXTJLEPL-ZZXKWVIFSA-N	-1	1	293.260	0.669	40	5		CCBBMM
O=C([N-]c1ccccc1[N+](=O)[O-])c1n[nH]cc1[N+](=O)[O-]	ZINC000005717371	261068229	/nfs/dbraw/zinc/06/82/29/261068229.db2.gz	ZRQBUAFMWYJQHR-MRVPVSSYSA-N	-1	1	277.196	0.619	40	5		CCBBMM
O=[N+]([O-])c1nnc(S(=O)(=O)Cc2ccccc2)[n-]1	ZINC000059488840	348638158	/nfs/dbraw/zinc/63/81/58/348638158.db2.gz	XZHAOGLJXOPHSY-UHFFFAOYSA-N	-1	1	268.254	0.687	40	5		CCBBMM
O=[N+]([O-])c1n[n-]c(S(=O)(=O)Cc2ccccc2)n1	ZINC000059488840	348638159	/nfs/dbraw/zinc/63/81/59/348638159.db2.gz	XZHAOGLJXOPHSY-UHFFFAOYSA-N	-1	1	268.254	0.687	40	5		CCBBMM
COc1c(/C=C2/NC(=S)[N-]C2=O)cccc1[N+](=O)[O-]	ZINC000005248527	170079134	/nfs/dbraw/zinc/07/91/34/170079134.db2.gz	ZQERWQOKLUZOLD-FNORWQNLSA-N	-1	1	279.277	0.949	40	5		CCBBMM
Cc1c/c(=N\[O-])c2c([O-])c([N+](=O)[O-])coc-2[n+]1O	ZINC000104211984	301014893	/nfs/dbraw/zinc/01/48/93/301014893.db2.gz	LJIMYXDMFDUHIU-BJMVGYQFSA-N	-1	1	253.170	0.230	40	5		CCBBMM
Cn1c(=O)cc([O-])c2ccc3c(O)cc(=O)n(C)c3c21	ZINC000103990424	389079066	/nfs/dbraw/zinc/07/90/66/389079066.db2.gz	IDCWIVOLEBXZJT-UHFFFAOYSA-N	-1	1	272.260	0.802	40	5		CCBBMM
COC(=O)c1n[n-]c([N+](=O)[O-])c1I	ZINC000072339180	388961481	/nfs/dbraw/zinc/96/14/81/388961481.db2.gz	GWLPLIOQLOJJAG-UHFFFAOYSA-N	-1	1	297.008	0.709	40	5		CCBBMM
COC(=O)c1[n-]nc([N+](=O)[O-])c1I	ZINC000072339180	388961484	/nfs/dbraw/zinc/96/14/84/388961484.db2.gz	GWLPLIOQLOJJAG-UHFFFAOYSA-N	-1	1	297.008	0.709	40	5		CCBBMM
Cn1c(CCn2ccc([N+](=O)[O-])n2)n[n-]c1=S	ZINC000002788942	347973146	/nfs/dbraw/zinc/97/31/46/347973146.db2.gz	OBSCUWGXHPIEEX-UHFFFAOYSA-N	-1	1	254.275	0.825	40	5		CCBBMM
Cn1cnc([N+](=O)[O-])c1Sc1nccc(=O)[n-]1	ZINC000001622258	347958586	/nfs/dbraw/zinc/95/85/86/347958586.db2.gz	GYNMAAFHDIRDFZ-UHFFFAOYSA-N	-1	1	253.243	0.563	40	5		CCBBMM
COc1cc([C@H](N)C(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000090516462	349437775	/nfs/dbraw/zinc/43/77/75/349437775.db2.gz	SCJSOFHQWFRHDI-VIFPVBQESA-N	-1	1	256.214	0.696	40	5		CCBBMM
O=[N+]([O-])c1ccc([C@@H](Nn2cnnc2)[P@@](=O)([O-])O)cc1	ZINC000016401192	388790341	/nfs/dbraw/zinc/79/03/41/388790341.db2.gz	UDJOQBAQGVAKHG-VIFPVBQESA-N	-1	1	299.183	0.606	40	5		CCBBMM
O=c1nc2[n-]c3cc([N+](=O)[O-])ccc3nc-2c(=O)[nH]1	ZINC000016431399	388790616	/nfs/dbraw/zinc/79/06/16/388790616.db2.gz	VVPARRRCPITIJR-UHFFFAOYSA-N	-1	1	259.181	0.480	40	5		CCBBMM
O=c1nc2[nH]c3cc([N+](=O)[O-])ccc3nc-2c(=O)[n-]1	ZINC000016431399	388790619	/nfs/dbraw/zinc/79/06/19/388790619.db2.gz	VVPARRRCPITIJR-UHFFFAOYSA-N	-1	1	259.181	0.480	40	5		CCBBMM
COc1cc([C@@H](N)C(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000090516466	349437847	/nfs/dbraw/zinc/43/78/47/349437847.db2.gz	SCJSOFHQWFRHDI-SECBINFHSA-N	-1	1	256.214	0.696	40	5		CCBBMM
O=C1NC(=O)/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])N1	ZINC000408721027	358110941	/nfs/dbraw/zinc/11/09/41/358110941.db2.gz	CPISCDRGGMAFKN-QHHAFSJGSA-N	-1	1	294.179	0.389	40	5		CCBBMM
COc1ccc([N+](=O)[O-])cc1/C=C1/NC(=S)[N-]C1=O	ZINC000005257222	170080611	/nfs/dbraw/zinc/08/06/11/170080611.db2.gz	OKDPMKAPAVFRQE-VMPITWQZSA-N	-1	1	279.277	0.949	40	5		CCBBMM