smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C[N@H+](C)Cc2c(Cl)cccc2Cl)cc1[N+](=O)[O-]	ZINC000063750301	567983472	/nfs/dbraw/zinc/98/34/72/567983472.db2.gz	KFTLXGBSDVNXMY-UHFFFAOYSA-N	1	2	355.221	4.542	20	5		FJBDLO
COc1ccc(C[N@@H+](C)Cc2c(Cl)cccc2Cl)cc1[N+](=O)[O-]	ZINC000063750301	567983473	/nfs/dbraw/zinc/98/34/73/567983473.db2.gz	KFTLXGBSDVNXMY-UHFFFAOYSA-N	1	2	355.221	4.542	20	5		FJBDLO
COc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-]	ZINC000051427785	567878950	/nfs/dbraw/zinc/87/89/50/567878950.db2.gz	MOFGQFHSKCRCAR-HNNXBMFYSA-N	1	2	369.446	4.550	20	5		FJBDLO
COc1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-]	ZINC000051427785	567878951	/nfs/dbraw/zinc/87/89/51/567878951.db2.gz	MOFGQFHSKCRCAR-HNNXBMFYSA-N	1	2	369.446	4.550	20	5		FJBDLO
Cc1ccc(C(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	ZINC000542000084	568377931	/nfs/dbraw/zinc/37/79/31/568377931.db2.gz	BQFFUPKFZPQHAW-UHFFFAOYSA-N	1	2	372.852	4.652	20	5		FJBDLO
COc1ccccc1C[N@H+](Cc1cccs1)Cc1cccc([N+](=O)[O-])c1	ZINC000024816501	568133033	/nfs/dbraw/zinc/13/30/33/568133033.db2.gz	PNUSFLQVWLBCOS-UHFFFAOYSA-N	1	2	368.458	4.867	20	5		FJBDLO
COc1ccccc1C[N@@H+](Cc1cccs1)Cc1cccc([N+](=O)[O-])c1	ZINC000024816501	568133034	/nfs/dbraw/zinc/13/30/34/568133034.db2.gz	PNUSFLQVWLBCOS-UHFFFAOYSA-N	1	2	368.458	4.867	20	5		FJBDLO
O=[N+]([O-])c1ccc2oc(C[N@H+]3CC=C(c4cccc(Cl)c4)CC3)nc2c1	ZINC000481778252	568123637	/nfs/dbraw/zinc/12/36/37/568123637.db2.gz	KYCPIPMDSOEGJO-UHFFFAOYSA-N	1	2	369.808	4.679	20	5		FJBDLO
O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC=C(c4cccc(Cl)c4)CC3)nc2c1	ZINC000481778252	568123638	/nfs/dbraw/zinc/12/36/38/568123638.db2.gz	KYCPIPMDSOEGJO-UHFFFAOYSA-N	1	2	369.808	4.679	20	5		FJBDLO
Cc1nc(CSc2nc3ccccc3c3[nH+]c4ccccc4n32)oc1C	ZINC000072014585	221396254	/nfs/dbraw/zinc/39/62/54/221396254.db2.gz	BSFTXXQFBFDWHN-UHFFFAOYSA-N	1	2	360.442	4.933	20	5		FJBDLO
C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1Cl	ZINC000007499660	568523519	/nfs/dbraw/zinc/52/35/19/568523519.db2.gz	DWOGWRGVEQKZOI-NEPJUHHUSA-N	1	2	372.812	4.710	20	5		FJBDLO
CC[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)c1nc(C)cs1	ZINC000072865199	567841010	/nfs/dbraw/zinc/84/10/10/567841010.db2.gz	JEMKIAPCGLRMCP-GOSISDBHSA-N	1	2	363.483	4.562	20	5		FJBDLO
COc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-]	ZINC000051427783	567879259	/nfs/dbraw/zinc/87/92/59/567879259.db2.gz	MOFGQFHSKCRCAR-OAHLLOKOSA-N	1	2	369.446	4.550	20	5		FJBDLO
COc1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-]	ZINC000051427783	567879260	/nfs/dbraw/zinc/87/92/60/567879260.db2.gz	MOFGQFHSKCRCAR-OAHLLOKOSA-N	1	2	369.446	4.550	20	5		FJBDLO
C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000007499665	568523546	/nfs/dbraw/zinc/52/35/46/568523546.db2.gz	DWOGWRGVEQKZOI-VXGBXAGGSA-N	1	2	372.812	4.710	20	5		FJBDLO
O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000050806310	221033596	/nfs/dbraw/zinc/03/35/96/221033596.db2.gz	REQPBSIEMIKZDD-UHFFFAOYSA-N	1	2	369.764	4.688	20	5		FJBDLO
CC[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)c1nc(C)cs1	ZINC000072865197	567841046	/nfs/dbraw/zinc/84/10/46/567841046.db2.gz	JEMKIAPCGLRMCP-SFHVURJKSA-N	1	2	363.483	4.562	20	5		FJBDLO
O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)Nc1ccc([N+](=O)[O-])cc1F	ZINC000541833079	567931103	/nfs/dbraw/zinc/93/11/03/567931103.db2.gz	ZGJKVOHYWAMKTF-UHFFFAOYSA-N	1	2	368.324	4.565	20	5		FJBDLO
Cc1c([C@@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-]	ZINC000279166683	567945888	/nfs/dbraw/zinc/94/58/88/567945888.db2.gz	BWZBYPLFFLYBFU-NXEZZACHSA-N	1	2	359.373	4.790	20	5		FJBDLO
C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000007499658	568523544	/nfs/dbraw/zinc/52/35/44/568523544.db2.gz	DWOGWRGVEQKZOI-RYUDHWBXSA-N	1	2	372.812	4.710	20	5		FJBDLO
O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1nc(C2CC2)cs1	ZINC000290973841	567900952	/nfs/dbraw/zinc/90/09/52/567900952.db2.gz	XTFGLWJKYWKCCJ-UHFFFAOYSA-N	1	2	358.250	4.525	20	5		FJBDLO
CC(C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000568300971	568030993	/nfs/dbraw/zinc/03/09/93/568030993.db2.gz	UZKYCEWVIJYCSJ-UHFFFAOYSA-N	1	2	355.221	4.632	20	5		FJBDLO
C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000007499663	568523517	/nfs/dbraw/zinc/52/35/17/568523517.db2.gz	DWOGWRGVEQKZOI-NWDGAFQWSA-N	1	2	372.812	4.710	20	5		FJBDLO