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)C[C@@H](O)CNc1ccc(C)c2sc3ccc(Cl)cc3c(=O)c12	ZINC000005839997	557677167	/nfs/dbraw/zinc/67/71/67/557677167.db2.gz	JHARWDKDQGTJIJ-HNNXBMFYSA-N	0	3	404.963	4.491	40	5		HIBBHN
COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCCc1ccccc1	ZINC000007275004	569231371	/nfs/dbraw/zinc/23/13/71/569231371.db2.gz	IHZSCKJIPIPARN-UHFFFAOYSA-N	0	3	421.497	4.427	40	5		HIBBHN
CCN(CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12)C[C@H](C)O	ZINC000004366922	557547577	/nfs/dbraw/zinc/54/75/77/557547577.db2.gz	PPDQLADBSHGSQI-AWEZNQCLSA-N	0	3	404.963	4.491	40	5		HIBBHN
COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OC	ZINC000008469863	569004188	/nfs/dbraw/zinc/00/41/88/569004188.db2.gz	VQDLMIRTENOFLN-UHFFFAOYSA-N	0	3	400.262	4.121	40	5		HIBBHN
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccccc1CN1CCCCC1	ZINC000224806831	569290005	/nfs/dbraw/zinc/29/00/05/569290005.db2.gz	JKARTPKZLJHDMU-UHFFFAOYSA-N	0	3	413.543	4.130	40	5		HIBBHN
Cc1ccc(S[C@@]2(CN3CCCC3)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1	ZINC000006214767	569033174	/nfs/dbraw/zinc/03/31/74/569033174.db2.gz	XUCYEHARBHAFLA-QFIPXVFZSA-N	0	3	412.511	4.414	40	5		HIBBHN
COc1ccc(Br)cc1CNCCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000008493018	571061003	/nfs/dbraw/zinc/06/10/03/571061003.db2.gz	KXJOXFYZYCLOQK-UHFFFAOYSA-N	0	3	414.687	4.221	40	5		HIBBHN
CCN(CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12)C[C@@H](C)O	ZINC000005840869	557677170	/nfs/dbraw/zinc/67/71/70/557677170.db2.gz	PPDQLADBSHGSQI-CQSZACIVSA-N	0	3	404.963	4.491	40	5		HIBBHN
CCN(CC)C[C@H](O)CNc1ccc(C)c2sc3ccc(Cl)cc3c(=O)c12	ZINC000004366913	557547473	/nfs/dbraw/zinc/54/74/73/557547473.db2.gz	JHARWDKDQGTJIJ-OAHLLOKOSA-N	0	3	404.963	4.491	40	5		HIBBHN
CCN(CC)CCN(C)c1ccc(CO)c2sc3cc(Cl)ccc3c(=O)c12	ZINC000005010739	557625332	/nfs/dbraw/zinc/62/53/32/557625332.db2.gz	PKNKIGUCOVGKMJ-UHFFFAOYSA-N	0	3	404.963	4.338	40	5		HIBBHN
COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	ZINC000007275023	569231305	/nfs/dbraw/zinc/23/13/05/569231305.db2.gz	OZYKAIVVKADHNX-UHFFFAOYSA-N	0	3	407.470	4.384	40	5		HIBBHN
COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccs1	ZINC000007275028	569231358	/nfs/dbraw/zinc/23/13/58/569231358.db2.gz	JDXFNJLERNOYQA-UHFFFAOYSA-N	0	3	413.499	4.446	40	5		HIBBHN
CCN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1	ZINC000017092179	569273981	/nfs/dbraw/zinc/27/39/81/569273981.db2.gz	PBKKJWPLZPVKJH-UHFFFAOYSA-N	0	3	420.469	4.249	40	5		HIBBHN
O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1sc2ccccc2c1Cl	ZINC000020154203	568590700	/nfs/dbraw/zinc/59/07/00/568590700.db2.gz	WUALZLASDZTZEV-UHFFFAOYSA-N	0	3	416.890	4.125	40	5		HIBBHN
CCN(CC)CCNc1ccc(COC(=O)NC)c2sc3ccccc3c(=O)c12	ZINC000005139329	569255669	/nfs/dbraw/zinc/25/56/69/569255669.db2.gz	ZNZOVMOZODGFTR-UHFFFAOYSA-N	0	3	413.543	4.024	40	5		HIBBHN
COc1cccc(CNCCNc2ccc([N+](=O)[O-])cc2)c1OCc1ccccc1	ZINC000007276380	569231344	/nfs/dbraw/zinc/23/13/44/569231344.db2.gz	LXZZGBHOABIGCM-UHFFFAOYSA-N	0	3	407.470	4.384	40	5		HIBBHN
CCOC(=O)c1ccc(-c2ccc(CNCCNc3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000006870156	569157768	/nfs/dbraw/zinc/15/77/68/569157768.db2.gz	NWXCKSZTDODOGW-UHFFFAOYSA-N	0	3	409.442	4.233	40	5		HIBBHN
O=[N+]([O-])c1ccc(-c2nnc(SCCN3CCCCC3)n2-c2ccccc2)cc1	ZINC000000878096	568726373	/nfs/dbraw/zinc/72/63/73/568726373.db2.gz	BBFWFOUKEAQTCO-UHFFFAOYSA-N	0	3	409.515	4.421	40	5		HIBBHN
CN(C)CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1	ZINC000225536794	568772323	/nfs/dbraw/zinc/77/23/23/568772323.db2.gz	CZQNZGAGCDNKFL-UHFFFAOYSA-N	0	3	411.502	4.376	40	5		HIBBHN
Cc1cc2c(c([N+](=O)[O-])c1)OC[C@](Cc1ccc(Cl)cc1)(CN1CCCC1)C2=O	ZINC000006189404	569027275	/nfs/dbraw/zinc/02/72/75/569027275.db2.gz	ZOJQXAPOVGXULK-QFIPXVFZSA-N	0	3	414.889	4.457	40	5		HIBBHN
Cc1cc2c(c([N+](=O)[O-])c1)OC[C@@](Cc1ccc(Cl)cc1)(CN1CCCC1)C2=O	ZINC000006189402	569027269	/nfs/dbraw/zinc/02/72/69/569027269.db2.gz	ZOJQXAPOVGXULK-JOCHJYFZSA-N	0	3	414.889	4.457	40	5		HIBBHN
Cc1ccc(S[C@]2(CN3CCCC3)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1	ZINC000006214743	569033155	/nfs/dbraw/zinc/03/31/55/569033155.db2.gz	XUCYEHARBHAFLA-JOCHJYFZSA-N	0	3	412.511	4.414	40	5		HIBBHN
CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1	ZINC000006517627	132311407	/nfs/dbraw/zinc/31/14/07/132311407.db2.gz	IKXGKCFTODEBMZ-ONNFQVAWSA-N	0	3	414.893	4.042	40	5		HIBBHN
CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1	ZINC000011948576	569399187	/nfs/dbraw/zinc/39/91/87/569399187.db2.gz	KFPYAGOVABJBKW-UHFFFAOYSA-N	0	3	420.469	4.249	40	5		HIBBHN