smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNC(NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)=[NH+]CC	ZINC000066243295	257849520	/nfs/dbraw/zinc/84/95/20/257849520.db2.gz	HKTFKFQPYXEVOP-IYBDPMFKSA-N	2	1	332.492	2.371	40	30		EEEBMP
C[NH+](C)CCN1CC[N@H+](Cc2cccc(C#N)c2)Cc2cccnc21	ZINC000096198832	463204704	/nfs/dbraw/zinc/20/47/04/463204704.db2.gz	PYULMAXGWQHUAN-UHFFFAOYSA-N	2	1	335.455	2.337	40	30		EEEBMP
C[NH+](C)CCN1CC[N@@H+](Cc2cccc(C#N)c2)Cc2cccnc21	ZINC000096198832	463204708	/nfs/dbraw/zinc/20/47/08/463204708.db2.gz	PYULMAXGWQHUAN-UHFFFAOYSA-N	2	1	335.455	2.337	40	30		EEEBMP
CCNC(NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)=[NH+]CC	ZINC000066244142	462866416	/nfs/dbraw/zinc/86/64/16/462866416.db2.gz	SMUDSGWFKHTAGI-IYBDPMFKSA-N	2	1	332.492	2.371	40	30		EEEBMP
CN(C)c1ccc(C=[NH+]NC(=S)N[C@@H]2C[NH+]3CCC2CC3)cc1	ZINC000056683661	463416788	/nfs/dbraw/zinc/41/67/88/463416788.db2.gz	LSIKPZPOJVHLHG-CJMVGXJBSA-N	2	1	331.489	2.056	40	30		EEEBMP
N#Cc1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1	ZINC000096196855	463202849	/nfs/dbraw/zinc/20/28/49/463202849.db2.gz	XUQLTIIGBHWFRP-UHFFFAOYSA-N	2	1	335.455	2.409	40	30		EEEBMP
C[C@H]1C[C@H](CNC(=[NH2+])N2CCSCC2)C[N@H+]1Cc1ccccc1	ZINC000097229334	463351634	/nfs/dbraw/zinc/35/16/34/463351634.db2.gz	UUAVSIHVTCICLE-DOTOQJQBSA-N	2	1	332.517	2.261	40	30		EEEBMP
C[C@@H]1C[C@H](CNC(=[NH2+])N2CCSCC2)C[N@H+]1Cc1ccccc1	ZINC000097229332	463350827	/nfs/dbraw/zinc/35/08/27/463350827.db2.gz	UUAVSIHVTCICLE-NVXWUHKLSA-N	2	1	332.517	2.261	40	30		EEEBMP
C[C@@H]1C[C@@H](CNC(=[NH2+])N2CCSCC2)C[N@H+]1Cc1ccccc1	ZINC000097229336	463350955	/nfs/dbraw/zinc/35/09/55/463350955.db2.gz	UUAVSIHVTCICLE-WBVHZDCISA-N	2	1	332.517	2.261	40	30		EEEBMP
CCc1nc(C[NH+]2CCC(CNC(=[NH2+])N(C)C3CC3)CC2)cs1	ZINC000181479159	464495538	/nfs/dbraw/zinc/49/55/38/464495538.db2.gz	QAKARTYLSURHSB-UHFFFAOYSA-N	2	1	335.521	2.326	40	30		EEEBMP
C[C@H]1C[C@@H](CNC(=[NH2+])N2CCSCC2)C[N@H+]1Cc1ccccc1	ZINC000097229338	463351342	/nfs/dbraw/zinc/35/13/42/463351342.db2.gz	UUAVSIHVTCICLE-RDJZCZTQSA-N	2	1	332.517	2.261	40	30		EEEBMP