smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCN1CCC[C@]2(CC[N@H+](C3CCN(c4ccc(OC)cc4)CC3)C2)C1	ZINC000012305948	204393194	/nfs/dbraw/zinc/39/31/94/204393194.db2.gz	ZRKBAWRFZBWEOF-QHCPKHFHSA-N	1	1	387.568	3.098	1	10		GGCFMO
CCCn1cc2c3c1cccc3[C@H]1C[C@H](C(=O)O[C@@H](C)[C@@H](C)O)C[N@@H+](C)[C@@H]1C2	ZINC000040374072	205062715	/nfs/dbraw/zinc/06/27/15/205062715.db2.gz	POHMGMFALGPTQS-MHVGAEQCSA-N	1	1	384.520	3.324	1	10		GGCFMO
Oc1ccc(Br)cc1C[NH+]1CCN(c2ncnc3ccccc32)CC1	ZINC000095598170	136182559	/nfs/dbraw/zinc/18/25/59/136182559.db2.gz	CFQPJLMTWSKIRI-UHFFFAOYSA-N	1	1	399.292	3.420	1	10		GGCFMO
CC(=O)NCc1ccc2c(c1)[C@H](N1CC[NH+](C)CC1)Cc1ccccc1S2	ZINC000064527404	222072637	/nfs/dbraw/zinc/07/26/37/222072637.db2.gz	YBCFDDCJLZVHPZ-HXUWFJFHSA-N	1	1	381.545	3.319	1	10		GGCFMO
COC1CCC(C(=O)N[C@@H]2C[C@@H]3c4cccc5c4c(cn5C)C[C@H]3[N@@H+](C)C2)CC1	ZINC000027725887	207330134	/nfs/dbraw/zinc/33/01/34/207330134.db2.gz	GCDWKQCGUPMGBR-SZHHJSSISA-N	1	1	395.547	3.212	1	10		GGCFMO
C[N@@H+]1CCc2cc(O)c(O)cc2[C@@H]1Cc1cc(O)c(O)cc1Br	ZINC000095556784	208232493	/nfs/dbraw/zinc/23/24/93/208232493.db2.gz	RBZMMMBIGFUNBS-ZDUSSCGKSA-N	1	1	380.238	3.043	1	10		GGCFMO
C[N@H+]1CCc2cc(O)c(O)cc2[C@@H]1Cc1cc(O)c(O)cc1Br	ZINC000095556784	208232499	/nfs/dbraw/zinc/23/24/99/208232499.db2.gz	RBZMMMBIGFUNBS-ZDUSSCGKSA-N	1	1	380.238	3.043	1	10		GGCFMO
CCn1cc2c3c1cccc3[C@@H]1C[C@H](NC(=O)n3nc(C)cc3C)C[N@H+](C)[C@@H]1C2	ZINC000002029587	209343669	/nfs/dbraw/zinc/34/36/69/209343669.db2.gz	ZSJNNQSQILSGMP-HFSMHLIXSA-N	1	1	391.519	3.445	1	10	in-man	GGCFMO
CCn1cc2c3c1cccc3[C@@H]1C[C@H](NC(=O)n3nc(C)cc3C)C[N@@H+](C)[C@@H]1C2	ZINC000002029587	209343670	/nfs/dbraw/zinc/34/36/70/209343670.db2.gz	ZSJNNQSQILSGMP-HFSMHLIXSA-N	1	1	391.519	3.445	1	10	in-man	GGCFMO
C[N@@H+]1CCc2cc(O)c(O)cc2[C@H]1Cc1cc(O)c(O)cc1Br	ZINC000095556785	211276508	/nfs/dbraw/zinc/27/65/08/211276508.db2.gz	RBZMMMBIGFUNBS-CYBMUJFWSA-N	1	1	380.238	3.043	1	10		GGCFMO
C[N@H+]1CCc2cc(O)c(O)cc2[C@H]1Cc1cc(O)c(O)cc1Br	ZINC000095556785	211276512	/nfs/dbraw/zinc/27/65/12/211276512.db2.gz	RBZMMMBIGFUNBS-CYBMUJFWSA-N	1	1	380.238	3.043	1	10		GGCFMO
O=[N+]([O-])c1cccc2[nH+]c3ccccc3c(NCCC[N+]3([O-])CCOCC3)c21	ZINC000005955727	717102890	/nfs/dbraw/zinc/10/28/90/717102890.db2.gz	MGPFKRWPUXGULM-UHFFFAOYSA-N	1	1	382.420	3.443	1	10		GGCFMO
CC[NH+](CC)Cc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1C2=O	ZINC000029344977	221691660	/nfs/dbraw/zinc/69/16/60/221691660.db2.gz	OIGZSAAWJGJYBP-UHFFFAOYSA-N	1	1	383.444	3.330	1	10		GGCFMO
COc1cccc2c1ccc1nc3cccc(C(=O)N[C@@H]4CC[N@@H+](C)C4)c3nc12	ZINC000027857054	207331263	/nfs/dbraw/zinc/33/12/63/207331263.db2.gz	MILBGUOQLBJHGQ-CQSZACIVSA-N	1	1	386.455	3.379	1	10		GGCFMO
COc1ccc(N2CC[NH+](Cc3ccc4oc(=O)cc(OC)c4c3)CC2)cc1	ZINC000040834506	132407935	/nfs/dbraw/zinc/40/79/35/132407935.db2.gz	DJDQKHQRGCLRAU-UHFFFAOYSA-N	1	1	380.444	3.132	1	10		GGCFMO