smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(c2ccc(N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)nn2)CC1	ZINC000010213264	536422335	/nfs/dbraw/zinc/42/23/35/536422335.db2.gz	VLIKEMNEASUVRN-UHFFFAOYSA-N	0	1	447.521	0.648	50	5		ICBAMN
CN1CCN(c2ccc(N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)nn2)CC1	ZINC000010213266	536422500	/nfs/dbraw/zinc/42/25/00/536422500.db2.gz	MFHVWJRHOZKVTB-UHFFFAOYSA-N	0	1	447.521	0.648	50	5		ICBAMN
CCNC(=O)C1CCN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])CC1	ZINC000026711519	568908559	/nfs/dbraw/zinc/90/85/59/568908559.db2.gz	CULXJBASDBPOHL-UHFFFAOYSA-N	0	1	427.527	0.787	50	5		ICBAMN
CC(=O)N1CCN(C(=O)c2[nH]nc3c2CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC3)CC1	ZINC000034789767	568738128	/nfs/dbraw/zinc/73/81/28/568738128.db2.gz	VLVXDGWUQWCPQU-UHFFFAOYSA-N	0	1	426.433	0.821	50	5		ICBAMN
CC(=O)N1CCN(C(=O)c2[nH]nc3c2CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC3)CC1	ZINC000034797281	568738219	/nfs/dbraw/zinc/73/82/19/568738219.db2.gz	NBUGEAHKWNPGCZ-UHFFFAOYSA-N	0	1	440.460	0.750	50	5		ICBAMN
CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(CCOC)C3=O)[C@@H]2C1	ZINC000036329867	569076663	/nfs/dbraw/zinc/07/66/63/569076663.db2.gz	JTTPYSVJXJKWNC-OXJNMPFZSA-N	0	1	431.449	0.373	50	5		ICBAMN
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(CCOC)C3=O)[C@@H]2C1	ZINC000036329867	569076662	/nfs/dbraw/zinc/07/66/62/569076662.db2.gz	JTTPYSVJXJKWNC-OXJNMPFZSA-N	0	1	431.449	0.373	50	5		ICBAMN
O=[N+]([O-])c1ccc(O)c(CSc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1	ZINC000095869655	563194622	/nfs/dbraw/zinc/19/46/22/563194622.db2.gz	UNTSTPIAQOSGHD-LSCFUAHRSA-N	0	1	435.418	0.344	50	5		ICBAMN
O=[N+]([O-])c1ccc(O)c(CSc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c1	ZINC000095918564	569375179	/nfs/dbraw/zinc/37/51/79/569375179.db2.gz	UNTSTPIAQOSGHD-MJFSBKNWSA-N	0	1	435.418	0.344	50	5		ICBAMN
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(CCOC)C3=O)[C@H]2C1	ZINC000102788303	557388156	/nfs/dbraw/zinc/38/81/56/557388156.db2.gz	JTTPYSVJXJKWNC-OXQOHEQNSA-N	0	1	431.449	0.373	50	5		ICBAMN
CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(CCOC)C3=O)[C@H]2C1	ZINC000102788303	557388153	/nfs/dbraw/zinc/38/81/53/557388153.db2.gz	JTTPYSVJXJKWNC-OXQOHEQNSA-N	0	1	431.449	0.373	50	5		ICBAMN
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(CCOC)C3=O)[C@H]2C1	ZINC000102788305	557388168	/nfs/dbraw/zinc/38/81/68/557388168.db2.gz	JTTPYSVJXJKWNC-UZLBHIALSA-N	0	1	431.449	0.373	50	5		ICBAMN
CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(CCOC)C3=O)[C@H]2C1	ZINC000102788305	557388166	/nfs/dbraw/zinc/38/81/66/557388166.db2.gz	JTTPYSVJXJKWNC-UZLBHIALSA-N	0	1	431.449	0.373	50	5		ICBAMN
CN(C)CCNS(=O)(=O)c1ccc(N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c([N+](=O)[O-])c1	ZINC000225578220	569404816	/nfs/dbraw/zinc/40/48/16/569404816.db2.gz	WCHVUJVKLUAISP-FCEWJHQRSA-N	0	1	442.538	0.801	50	5		ICBAMN
CN(C)CCNS(=O)(=O)c1ccc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c([N+](=O)[O-])c1	ZINC000252569133	569191021	/nfs/dbraw/zinc/19/10/21/569191021.db2.gz	WCHVUJVKLUAISP-FRQCXROJSA-N	0	1	442.538	0.801	50	5		ICBAMN
CN(C)CCNS(=O)(=O)c1ccc(N2CCC[C@@H]2[C@H]2COCC[C@H]2O)c([N+](=O)[O-])c1	ZINC000252569134	569191047	/nfs/dbraw/zinc/19/10/47/569191047.db2.gz	WCHVUJVKLUAISP-GPMSIDNRSA-N	0	1	442.538	0.801	50	5		ICBAMN
CN(C)CCNS(=O)(=O)c1ccc(N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c([N+](=O)[O-])c1	ZINC000252569135	569191057	/nfs/dbraw/zinc/19/10/57/569191057.db2.gz	WCHVUJVKLUAISP-MDZRGWNJSA-N	0	1	442.538	0.801	50	5		ICBAMN