smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1C[C@H](C)CN(Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[n-]2)C1	ZINC000007002863	204228640	/nfs/dbraw/zinc/22/86/40/204228640.db2.gz	YDDNUJJJEIZRPH-STQMWFEESA-N	-1	3	387.936	4.783	20	0		GJADHM
O=c1nc(CN(CCc2ccccc2)Cc2ccccc2)[n-]c2ccsc21	ZINC000057315282	205157180	/nfs/dbraw/zinc/15/71/80/205157180.db2.gz	SMVPSLCHLOOOLK-UHFFFAOYSA-N	-1	3	375.497	4.642	20	0		GJADHM
Cc1c2cc(Br)ccc2oc1C(=O)[N-]c1nnc(C(C)(C)C)s1	ZINC000071989558	211067896	/nfs/dbraw/zinc/06/78/96/211067896.db2.gz	MGEFKDIIQOGRLW-UHFFFAOYSA-N	-1	3	394.294	4.905	20	0		GJADHM
FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCC2(C=Cc3ccccc32)CC1	ZINC001164420169	718908895	/nfs/dbraw/zinc/90/88/95/718908895.db2.gz	GRZXWRZWSJYBBP-UHFFFAOYSA-N	-1	3	379.863	4.529	20	0		GJADHM
C[C@@H]1CCc2ccccc2N1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1	ZINC000007674395	204246624	/nfs/dbraw/zinc/24/66/24/204246624.db2.gz	DSNQRTPLQZUPPC-CYBMUJFWSA-N	-1	3	377.469	4.586	20	0		GJADHM
Cc1occc1C(=O)Cc1nc(=O)c2c([n-]1)sc(C)c2-c1ccc(C)cc1	ZINC000053844665	205137564	/nfs/dbraw/zinc/13/75/64/205137564.db2.gz	NYBFUOQJTJBHBW-UHFFFAOYSA-N	-1	3	378.453	4.595	20	0		GJADHM
COc1ccc([O-])c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	ZINC000095594849	211281313	/nfs/dbraw/zinc/28/13/13/211281313.db2.gz	FYBGLYVXXGYEGQ-UHFFFAOYSA-N	-1	3	379.256	4.691	20	0		GJADHM
CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc([O-])c(Br)c1	ZINC000071967295	205300499	/nfs/dbraw/zinc/30/04/99/205300499.db2.gz	DWGYZCAGMLMXPL-INIZCTEOSA-N	-1	3	395.684	4.785	20	0		GJADHM
CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc([O-])c(Br)c1	ZINC000071967294	211065723	/nfs/dbraw/zinc/06/57/23/211065723.db2.gz	DWGYZCAGMLMXPL-MRXNPFEDSA-N	-1	3	395.684	4.785	20	0		GJADHM
O=S(=O)([N-]c1ccccc1Br)c1cc(Cl)cc(Cl)c1	ZINC000016100019	210184338	/nfs/dbraw/zinc/18/43/38/210184338.db2.gz	AZYVYVPWVIDETD-UHFFFAOYSA-N	-1	3	381.078	4.557	20	0		GJADHM
C[C@H]1CCc2ccccc2N1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1	ZINC000007674396	204246362	/nfs/dbraw/zinc/24/63/62/204246362.db2.gz	DSNQRTPLQZUPPC-ZDUSSCGKSA-N	-1	3	377.469	4.586	20	0		GJADHM
O=c1nc(-c2c[nH]nc2-c2ccc(Cl)cc2)[n-]c2sc3c(c21)CCCC3	ZINC000103586045	205648198	/nfs/dbraw/zinc/64/81/98/205648198.db2.gz	IBRKZXZCYNJXSO-UHFFFAOYSA-N	-1	3	382.876	4.574	20	0		GJADHM
Cc1cccc(C(=O)Nc2nc(-c3ccccc3)c(Br)s2)c1[O-]	ZINC000064475215	205190751	/nfs/dbraw/zinc/19/07/51/205190751.db2.gz	XFNOBQQFWGFRRS-UHFFFAOYSA-N	-1	3	389.274	4.839	20	0		GJADHM
CCCOc1c(Br)cc(C(=O)Nc2ccc(C)cc2[O-])cc1OC	ZINC000008378905	206224164	/nfs/dbraw/zinc/22/41/64/206224164.db2.gz	GIGFLSVPDIMGRU-UHFFFAOYSA-N	-1	3	394.265	4.513	20	0		GJADHM
O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(Cl)c(C(F)(F)F)c1	ZINC000016129554	206252031	/nfs/dbraw/zinc/25/20/31/206252031.db2.gz	GPTXRWUKIZGBSJ-UHFFFAOYSA-N	-1	3	388.169	4.952	20	0		GJADHM
O=c1nc(CSc2ccc(F)c(F)c2)[n-]c2scc(-c3ccco3)c21	ZINC000024108612	207287797	/nfs/dbraw/zinc/28/77/97/207287797.db2.gz	NSWPNOAFARFUAW-UHFFFAOYSA-N	-1	3	376.409	4.815	20	0		GJADHM
O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1cccc(OC(F)(F)F)c1	ZINC000024229563	207288785	/nfs/dbraw/zinc/28/87/85/207288785.db2.gz	NBXSDCWRHURQOB-UHFFFAOYSA-N	-1	3	386.178	4.693	20	0		GJADHM
Cc1ccc2c(c1)CCCN2Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1	ZINC000007674374	221005730	/nfs/dbraw/zinc/00/57/30/221005730.db2.gz	JRYWCMKPKNAHBF-UHFFFAOYSA-N	-1	3	377.469	4.506	20	0		GJADHM
Cc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c([O-])c1	ZINC000015922831	221352821	/nfs/dbraw/zinc/35/28/21/221352821.db2.gz	CRISCNKKMCDEPY-UHFFFAOYSA-N	-1	3	386.860	4.920	20	0		GJADHM
CCCOc1c(Cl)cc(CNCc2ccc(C(=O)[O-])cc2)cc1OCC	ZINC000020932014	570285261	/nfs/dbraw/zinc/28/52/61/570285261.db2.gz	QESLHCFGAKILDC-UHFFFAOYSA-N	-1	3	377.868	4.516	20	0		GJADHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)/C=C\c3cccs3)cc2)cc1	ZINC000096507800	208319045	/nfs/dbraw/zinc/31/90/45/208319045.db2.gz	TZASOKXTBGESEY-RAXLEYEMSA-N	-1	3	398.509	4.509	20	0		GJADHM