smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)Oc1ccccc1/C=N\c1sc2c(c1C#N)CC[N@@H+](C)C2	ZINC000408601190	570579428	/nfs/dbraw/zinc/57/94/28/570579428.db2.gz	IXWAYYPLSLYTJJ-ZDXHCBJDSA-N	1	1	353.491	4.536	40	30		FJEBMO
CC[C@H](C)Oc1ccccc1/C=N\c1sc2c(c1C#N)CC[N@H+](C)C2	ZINC000408601190	570579430	/nfs/dbraw/zinc/57/94/30/570579430.db2.gz	IXWAYYPLSLYTJJ-ZDXHCBJDSA-N	1	1	353.491	4.536	40	30		FJEBMO
CCN(CC)c1ccc(/C=[NH+]/NCc2c(Cl)cccc2Cl)cc1	ZINC000009195846	204357771	/nfs/dbraw/zinc/35/77/71/204357771.db2.gz	AUWJZHWZMSKLNT-CIAFOILYSA-N	1	1	350.293	4.963	40	30		FJEBMO
CC1=CC(C)(C)N(C)c2ccc(/C=[NH+]\NC(=S)Nc3ccccc3)cc21	ZINC000208440235	132268604	/nfs/dbraw/zinc/26/86/04/132268604.db2.gz	PMHFLZNOLSXJGS-HMAPJEAMSA-N	1	1	364.518	4.639	40	30		FJEBMO
CCC(CC)C(=O)Nc1sc2c(c1C#N)CC[N@@H+](Cc1ccccc1)C2	ZINC000014162801	570517924	/nfs/dbraw/zinc/51/79/24/570517924.db2.gz	VHCRVODFHJOOTL-UHFFFAOYSA-N	1	1	367.518	4.553	40	30		FJEBMO
CCC(CC)C(=O)Nc1sc2c(c1C#N)CC[N@H+](Cc1ccccc1)C2	ZINC000014162801	570517925	/nfs/dbraw/zinc/51/79/25/570517925.db2.gz	VHCRVODFHJOOTL-UHFFFAOYSA-N	1	1	367.518	4.553	40	30		FJEBMO
CN(C)/C=C(/C=C/C(=O)/C=C/C(=C/[NH+](C)C)c1ccccc1)c1ccccc1	ZINC000055146209	523967652	/nfs/dbraw/zinc/96/76/52/523967652.db2.gz	RHIYEEQNVNGLLD-CGJMZHHMSA-N	1	1	372.512	4.873	40	30		FJEBMO
C(=N/c1ccc2c(c1)[C@@H]([NH+]1CCOCC1)c1ccccc1-2)\c1ccccc1	ZINC000017326633	570872411	/nfs/dbraw/zinc/87/24/11/570872411.db2.gz	AIYDZRXBGAPSRJ-IOCYEQIYSA-N	1	1	354.453	4.839	40	30		FJEBMO
C(=N/N1CC[NH+](Cc2ccccc2)CC1)\c1cccc(Oc2ccccc2)c1	ZINC000022078569	211338447	/nfs/dbraw/zinc/33/84/47/211338447.db2.gz	NACDIMVLKYHRRO-NCELDCMTSA-N	1	1	371.484	4.631	40	30		FJEBMO
C#CCOc1cccc(C[NH2+][C@H](Cc2ccsc2)c2nc(C)cs2)c1	ZINC000019240244	263374282	/nfs/dbraw/zinc/37/42/82/263374282.db2.gz	MVZZMWRQCNATJH-LJQANCHMSA-N	1	1	368.527	4.599	40	30		FJEBMO
C(=N/c1ccc2c(c1)[C@H]([NH+]1CCOCC1)c1ccccc1-2)\c1ccccc1	ZINC000017326631	211184858	/nfs/dbraw/zinc/18/48/58/211184858.db2.gz	AIYDZRXBGAPSRJ-MQHZAWOVSA-N	1	1	354.453	4.839	40	30		FJEBMO
C#CCOc1cccc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)cs2)c1	ZINC000019240245	263374604	/nfs/dbraw/zinc/37/46/04/263374604.db2.gz	MVZZMWRQCNATJH-IBGZPJMESA-N	1	1	368.527	4.599	40	30		FJEBMO
N=C(Nc1ccccc1)SCCCCSC(=[NH2+])Nc1ccccc1	ZINC000001669560	263144300	/nfs/dbraw/zinc/14/43/00/263144300.db2.gz	WYTDIJVOSQBKQJ-UHFFFAOYSA-N	1	1	358.536	4.926	40	30		FJEBMO
C(=N\c1ccc2c(c1)[C@H]([NH+]1CCOCC1)c1ccccc1-2)\c1ccccc1	ZINC000104392755	206002149	/nfs/dbraw/zinc/00/21/49/206002149.db2.gz	AIYDZRXBGAPSRJ-KRFWEUHSSA-N	1	1	354.453	4.839	40	30		FJEBMO
CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[NH+]3CCCCCC3)sc2C1	ZINC000014194686	570518587	/nfs/dbraw/zinc/51/85/87/570518587.db2.gz	SKRXZQQIKICORR-HNNXBMFYSA-N	1	1	373.566	4.585	40	30		FJEBMO
C(=N\c1ccc2c(c1)[C@@H]([NH+]1CCOCC1)c1ccccc1-2)\c1ccccc1	ZINC000104392761	222357319	/nfs/dbraw/zinc/35/73/19/222357319.db2.gz	AIYDZRXBGAPSRJ-FDJRJZQMSA-N	1	1	354.453	4.839	40	30		FJEBMO
CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH+]3CCCCCC3)sc2C1	ZINC000014194685	570845383	/nfs/dbraw/zinc/84/53/83/570845383.db2.gz	SKRXZQQIKICORR-OAHLLOKOSA-N	1	1	373.566	4.585	40	30		FJEBMO
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=[NH+]\NC(=S)Nc3ccccc3)cc21	ZINC000208202744	132268430	/nfs/dbraw/zinc/26/84/30/132268430.db2.gz	RHRIWDQIFUSTON-YZLQOSHFSA-N	1	1	366.534	4.729	40	30		FJEBMO
C=CCOc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1	ZINC000020482659	519039662	/nfs/dbraw/zinc/03/96/62/519039662.db2.gz	WXGDGCULXCPQMG-SFHVURJKSA-N	1	1	364.489	4.736	40	30		FJEBMO
CCCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[N@@H+](C)C3)cc1	ZINC000408605871	570578057	/nfs/dbraw/zinc/57/80/57/570578057.db2.gz	ZAOCJGSMXSOMMW-LPYMAVHISA-N	1	1	353.491	4.537	40	30		FJEBMO
CCCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[N@H+](C)C3)cc1	ZINC000408605871	570578060	/nfs/dbraw/zinc/57/80/60/570578060.db2.gz	ZAOCJGSMXSOMMW-LPYMAVHISA-N	1	1	353.491	4.537	40	30		FJEBMO
C=C(C[NH+](CC(=C)C(=O)c1ccccc1)C(C)(C)C)C(=O)c1ccccc1	ZINC000031768621	571055591	/nfs/dbraw/zinc/05/55/91/571055591.db2.gz	ZNBGMAWFRAVLSE-UHFFFAOYSA-N	1	1	361.485	4.965	40	30		FJEBMO
C/C(=N/N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1	ZINC000019805805	571327383	/nfs/dbraw/zinc/32/73/83/571327383.db2.gz	UDUFCCGBFXOBBO-QLYXXIJNSA-N	1	1	369.512	4.818	40	30		FJEBMO
C=CCOc1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1	ZINC000030940785	571151130	/nfs/dbraw/zinc/15/11/30/571151130.db2.gz	HCYAIZFMWWWYBI-SFHVURJKSA-N	1	1	364.489	4.736	40	30		FJEBMO
C#CCOc1ccccc1C[N@H+](Cc1ccc(CC)cc1)Cc1cccnc1	ZINC000013569146	518333774	/nfs/dbraw/zinc/33/37/74/518333774.db2.gz	NSMYPNATSVMTHK-UHFFFAOYSA-N	1	1	370.496	4.858	40	30		FJEBMO
C#CCOc1ccccc1C[N@@H+](Cc1ccc(CC)cc1)Cc1cccnc1	ZINC000013569146	518333783	/nfs/dbraw/zinc/33/37/83/518333783.db2.gz	NSMYPNATSVMTHK-UHFFFAOYSA-N	1	1	370.496	4.858	40	30		FJEBMO
C[C@H]1CC(C)(C)N(C)c2ccc(/C=[NH+]\NC(=S)Nc3ccccc3)cc21	ZINC000208202785	132268451	/nfs/dbraw/zinc/26/84/51/132268451.db2.gz	RHRIWDQIFUSTON-HSMAQGNYSA-N	1	1	366.534	4.729	40	30		FJEBMO
C=CCOc1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1	ZINC000030940782	263391086	/nfs/dbraw/zinc/39/10/86/263391086.db2.gz	HCYAIZFMWWWYBI-GOSISDBHSA-N	1	1	364.489	4.736	40	30		FJEBMO
C=CCOc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1	ZINC000020482657	519039127	/nfs/dbraw/zinc/03/91/27/519039127.db2.gz	WXGDGCULXCPQMG-GOSISDBHSA-N	1	1	364.489	4.736	40	30		FJEBMO
CCOC(=O)c1ccc2c(c1)N(CC)/C(=C/C=[NH+]/c1ccccc1)N2CC	ZINC000033387769	571084708	/nfs/dbraw/zinc/08/47/08/571084708.db2.gz	LNCXUZHUVRPLPZ-UJOYTAFJSA-N	1	1	363.461	4.773	40	30		FJEBMO