smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2occ(C(=O)c3coc4ccc(O)c(C[NH+](C)C)c34)c2c1	ZINC000019881247	206328281	/nfs/dbraw/zinc/32/82/81/206328281.db2.gz	FGUTYUNHYGUERN-UHFFFAOYSA-N	1	1	365.385	4.186	40	10		FICBMO
O=c1oc2ccccc2n1[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1	ZINC000012119232	570720156	/nfs/dbraw/zinc/72/01/56/570720156.db2.gz	XFNUXGBFRQBJOB-QGZVFWFLSA-N	1	1	374.440	4.290	40	10		FICBMO
C[NH+](C)Cc1c2c(ccc1O)occ2C(=O)c1cccc(Br)c1	ZINC000005319109	204202474	/nfs/dbraw/zinc/20/24/74/204202474.db2.gz	SAGWSTPJPNFXQP-UHFFFAOYSA-N	1	1	374.234	4.194	40	10		FICBMO
Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cc(C)ccc2O)s1	ZINC000043277888	205103001	/nfs/dbraw/zinc/10/30/01/205103001.db2.gz	YLNSCWWBPKOFBC-UHFFFAOYSA-N	1	1	355.507	4.360	40	10		FICBMO
C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)[NH2+][C@@H]1c1ccc(N(C)C)cc1	ZINC000055031355	205204955	/nfs/dbraw/zinc/20/49/55/205204955.db2.gz	MBRDKMVQLAQSMB-QDGJQWLKSA-N	1	1	365.521	4.046	40	10		FICBMO
C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)[NH2+][C@H]1c1ccc(N(C)C)cc1	ZINC000095402571	570461371	/nfs/dbraw/zinc/46/13/71/570461371.db2.gz	MBRDKMVQLAQSMB-WWLNLUSPSA-N	1	1	365.521	4.046	40	10		FICBMO
CN(C)c1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)cc1	ZINC000001595088	204013941	/nfs/dbraw/zinc/01/39/41/204013941.db2.gz	JATZKLSPYVTBSI-DEOSSOPVSA-N	1	1	360.501	4.488	40	10		FICBMO
C[C@H]1C(=O)[C@H](C)[C@@H](c2ccc(N(C)C)cc2)[NH2+][C@H]1c1ccc(N(C)C)cc1	ZINC000013510719	206303643	/nfs/dbraw/zinc/30/36/43/206303643.db2.gz	MBRDKMVQLAQSMB-AJAKECSLSA-N	1	1	365.521	4.046	40	10		FICBMO
O=c1oc2ccccc2n1[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1	ZINC000012119235	570720058	/nfs/dbraw/zinc/72/00/58/570720058.db2.gz	XFNUXGBFRQBJOB-KRWDZBQOSA-N	1	1	374.440	4.290	40	10		FICBMO
Cc1cc(C)n(CCC[N@H+](C)Cc2cc(C)c(N3CCCC3)cc2C)n1	ZINC000019719796	570900905	/nfs/dbraw/zinc/90/09/05/570900905.db2.gz	JWRSXARRNNZMCW-UHFFFAOYSA-N	1	1	354.542	4.239	40	10		FICBMO
CN(C)c1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1	ZINC000005849229	207119346	/nfs/dbraw/zinc/11/93/46/207119346.db2.gz	JATZKLSPYVTBSI-XMMPIXPASA-N	1	1	360.501	4.488	40	10		FICBMO
Cc1cc(C)n(CCC[N@H+](C)Cc2ccc(N3CCCC3)c(C)c2C)n1	ZINC000019719794	570900897	/nfs/dbraw/zinc/90/08/97/570900897.db2.gz	DEZIZKPIDUVIOJ-UHFFFAOYSA-N	1	1	354.542	4.239	40	10		FICBMO
Cc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccc(N(C)C)cc4)C3)o2)cc1	ZINC000049169909	209333614	/nfs/dbraw/zinc/33/36/14/209333614.db2.gz	NRLHSXRHYMSELO-IBGZPJMESA-N	1	1	362.477	4.101	40	10	biogenic,in-vitro	FICBMO
Cc1cc(C)c(O)c(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)c1	ZINC000012345544	207362918	/nfs/dbraw/zinc/36/29/18/207362918.db2.gz	FIAQHORGJQXRAU-RLAPIPATSA-N	1	1	355.453	4.163	40	10		FICBMO
Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc(N(C)C)cc2)s1	ZINC000036740209	208172382	/nfs/dbraw/zinc/17/23/82/208172382.db2.gz	MCMRUSQPONKSSQ-UHFFFAOYSA-N	1	1	368.550	4.412	40	10		FICBMO
Cc1cc(C)c(O)c(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)c1	ZINC000012345536	570738857	/nfs/dbraw/zinc/73/88/57/570738857.db2.gz	AZIQKLQGCPUERD-VSOVRNOCSA-N	1	1	355.453	4.163	40	10		FICBMO
Cc1cc(C)c(O)c(C[NH+](CCCN(C)C)Cc2cc(C)cc(C)c2O)c1	ZINC000255190634	571321098	/nfs/dbraw/zinc/32/10/98/571321098.db2.gz	YLHXWPMKUSQJIX-UHFFFAOYSA-N	1	1	370.537	4.285	40	10		FICBMO
CN(C)c1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccsc2)cc1	ZINC000036740208	571081308	/nfs/dbraw/zinc/08/13/08/571081308.db2.gz	LTBWPVHMJWCRRO-UHFFFAOYSA-N	1	1	354.523	4.103	40	10		FICBMO
O=C1C[C@@H]([NH+]2CCCCC2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1	ZINC000004615345	210078805	/nfs/dbraw/zinc/07/88/05/210078805.db2.gz	JPUMCENUJLXZOP-VCGVYRDQSA-N	1	1	362.433	4.220	40	10		FICBMO
O=C1C[C@H]([NH+]2CCCCC2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1	ZINC000022079852	220377226	/nfs/dbraw/zinc/37/72/26/220377226.db2.gz	JPUMCENUJLXZOP-CWJYSFMFSA-N	1	1	362.433	4.220	40	10		FICBMO
CC[NH+](CC)Cc1c2c3ccnc4c3n(c2ccc1O)c(=O)c1ccccc14	ZINC000006624355	571204732	/nfs/dbraw/zinc/20/47/32/571204732.db2.gz	YVBNHHXYXPVJQA-UHFFFAOYSA-N	1	1	371.440	4.139	40	10	biogenic	FICBMO
CC[NH+](CC)c1ccc(-n2c(C)cc(C=C3SC(=O)NC3=O)c2C)cc1	ZINC000408817252	570689264	/nfs/dbraw/zinc/68/92/64/570689264.db2.gz	VJWMLKQSKMMGHT-PDGQHHTCSA-N	1	1	369.490	4.264	40	10		FICBMO
Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cc(Cl)ccc2O)o1	ZINC000043277751	571099929	/nfs/dbraw/zinc/09/99/29/571099929.db2.gz	ALRCMQJBJIKTJJ-UHFFFAOYSA-N	1	1	359.857	4.236	40	10		FICBMO
O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1C[NH+]1CCCC1	ZINC000059474375	571090720	/nfs/dbraw/zinc/09/07/20/571090720.db2.gz	UBFQQNHJGSQZOK-QPEQYQDCSA-N	1	1	373.330	4.248	40	10		FICBMO
Cc1ccc(O)c(C[N@@H+](CCCn2ccnc2)Cc2ccccc2F)c1	ZINC000036740381	571081447	/nfs/dbraw/zinc/08/14/47/571081447.db2.gz	RYECEHSTRJOKRF-UHFFFAOYSA-N	1	1	353.441	4.129	40	10		FICBMO
COC1=C/C(=C2\C(C)=NN(c3ccccc3)C2=O)C(C)=[NH+]N1c1ccccc1	ZINC000035193878	571075906	/nfs/dbraw/zinc/07/59/06/571075906.db2.gz	VSXHAMHSYKVXQK-VZCXRCSSSA-N	1	1	372.428	4.090	40	10		FICBMO