smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCSCC2)c1	ZINC000048924963	395824280	/nfs/dbraw/zinc/82/42/80/395824280.db2.gz	XTZKWCOFMWZTMD-UHFFFAOYSA-N	-1	3	316.404	0.953	50	10		DCCAHM
CN1CCN(c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)CC1	ZINC000016995704	182067740	/nfs/dbraw/zinc/06/77/40/182067740.db2.gz	QQJCQXLTGFBQKY-UHFFFAOYSA-N	-1	3	320.374	0.786	50	10		DCCAHM
CCCCN1C(=O)[N-]C(=O)C(=CNCCN2CCCCC2)C1=O	ZINC000100788531	395763608	/nfs/dbraw/zinc/76/36/08/395763608.db2.gz	SMSGYVPTKNHVGD-OUKQBFOZSA-N	-1	3	322.409	0.824	50	10		DCCAHM
CN(C)CCNC=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000002365277	415125793	/nfs/dbraw/zinc/12/57/93/415125793.db2.gz	YCQJRTLPRXFURG-KTKRTIGZSA-N	-1	3	320.324	0.444	50	10		DCCAHM
CCCCN1C(=O)[N-]C(=O)C(=CNCCN2CCCCC2)C1=O	ZINC000020023599	182179756	/nfs/dbraw/zinc/17/97/56/182179756.db2.gz	SMSGYVPTKNHVGD-SEYXRHQNSA-N	-1	3	322.409	0.824	50	10		DCCAHM
CN(C)CCN/C=C1/C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000100798415	395763705	/nfs/dbraw/zinc/76/37/05/395763705.db2.gz	MDRCZBFPGCZEON-BENRWUELSA-N	-1	3	302.334	0.305	50	10		DCCAHM
CN(C)CCNC=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000100760194	395763667	/nfs/dbraw/zinc/76/36/67/395763667.db2.gz	YCQJRTLPRXFURG-MDZDMXLPSA-N	-1	3	320.324	0.444	50	10		DCCAHM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNCCN(C)C)C2=O)c1	ZINC000019949670	395691205	/nfs/dbraw/zinc/69/12/05/395691205.db2.gz	NIADUJCGHWABTL-JLHYYAGUSA-N	-1	3	316.361	0.613	50	10		DCCAHM
CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cccc(O)c2[O-])O1	ZINC000408514164	289026556	/nfs/dbraw/zinc/02/65/56/289026556.db2.gz	UIZJKDIUSFUTHX-BXKDBHETSA-N	-1	3	308.334	0.463	50	10		DCCAHM
CN(C)CCNC=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O	ZINC000019359521	182118765	/nfs/dbraw/zinc/11/87/65/182118765.db2.gz	WVOYDMZNAFIYEY-ZRDIBKRKSA-N	-1	3	308.382	0.433	50	10		DCCAHM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCN(C)C)C2=O)cc1	ZINC000019996215	395691196	/nfs/dbraw/zinc/69/11/96/395691196.db2.gz	YMCLUBQGKYEOOD-JLHYYAGUSA-N	-1	3	316.361	0.613	50	10		DCCAHM
Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(CCO)CC1	ZINC000019682087	182136508	/nfs/dbraw/zinc/13/65/08/182136508.db2.gz	SCTSSAKKVILHNG-UHFFFAOYSA-N	-1	3	318.373	0.917	50	10		DCCAHM
CCCCCCN1C(=O)[N-]C(=O)C(=CNCCN(C)C)C1=O	ZINC000100790430	395763624	/nfs/dbraw/zinc/76/36/24/395763624.db2.gz	AJMUBNUCBYLKMW-VAWYXSNFSA-N	-1	3	310.398	0.680	50	10		DCCAHM
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])O1	ZINC000408514166	239270604	/nfs/dbraw/zinc/27/06/04/239270604.db2.gz	UIZJKDIUSFUTHX-CABZTGNLSA-N	-1	3	308.334	0.463	50	10		DCCAHM
CN(C)CCNC=C1C(=O)[N-]C(=O)N(C2CCCCCC2)C1=O	ZINC000002419408	395681495	/nfs/dbraw/zinc/68/14/95/395681495.db2.gz	HHGPTDHZUIICFA-ACCUITESSA-N	-1	3	322.409	0.823	50	10		DCCAHM
CCCCCCN1C(=O)[N-]C(=O)C(=CNCCN(C)C)C1=O	ZINC000020024173	182180536	/nfs/dbraw/zinc/18/05/36/182180536.db2.gz	AJMUBNUCBYLKMW-QXMHVHEDSA-N	-1	3	310.398	0.680	50	10		DCCAHM
CN(C)CCNC=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O	ZINC000002309120	395681425	/nfs/dbraw/zinc/68/14/25/395681425.db2.gz	YYGIURPVCUWUHO-JLHYYAGUSA-N	-1	3	316.361	0.300	50	10		DCCAHM
CS(=O)(=O)N1CCN(Cc2cc3c(cc2[O-])OCO3)CC1	ZINC000028786872	395696283	/nfs/dbraw/zinc/69/62/83/395696283.db2.gz	NGUOBWXLLWMETN-UHFFFAOYSA-N	-1	3	314.363	0.198	50	10		DCCAHM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCCN(C)C)C1=O	ZINC000019995099	395691178	/nfs/dbraw/zinc/69/11/78/395691178.db2.gz	RHCAGCJFQWWAHU-BENRWUELSA-N	-1	3	316.361	0.613	50	10		DCCAHM
CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])O1	ZINC000408514167	239272008	/nfs/dbraw/zinc/27/20/08/239272008.db2.gz	UIZJKDIUSFUTHX-JOYOIKCWSA-N	-1	3	308.334	0.463	50	10		DCCAHM
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cccc(O)c2[O-])O1	ZINC000408514168	289007705	/nfs/dbraw/zinc/00/77/05/289007705.db2.gz	UIZJKDIUSFUTHX-SKDRFNHKSA-N	-1	3	308.334	0.463	50	10		DCCAHM
CN(C)CCNC=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000002285183	415125941	/nfs/dbraw/zinc/12/59/41/415125941.db2.gz	JLFSZJXRNFHVLC-XFXZXTDPSA-N	-1	3	320.324	0.444	50	10		DCCAHM
CN(C)CCNC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000002308635	415126752	/nfs/dbraw/zinc/12/67/52/415126752.db2.gz	MDRCZBFPGCZEON-ZRDIBKRKSA-N	-1	3	302.334	0.305	50	10		DCCAHM
[O-]c1c(CN2CCOCC2)ccc(CN2CCOCC2)c1O	ZINC000019914059	182164286	/nfs/dbraw/zinc/16/42/86/182164286.db2.gz	GXFKEXJQUZXFOS-UHFFFAOYSA-N	-1	3	308.378	0.762	50	10	in-vitro	DCCAHM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCCN(C)C)C1=O	ZINC000100765166	395763702	/nfs/dbraw/zinc/76/37/02/395763702.db2.gz	RHCAGCJFQWWAHU-ZRDIBKRKSA-N	-1	3	316.361	0.613	50	10		DCCAHM
CN(C)CCNC=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000002588762	415124998	/nfs/dbraw/zinc/12/49/98/415124998.db2.gz	OMFDYOCBJHJGNJ-ZRDIBKRKSA-N	-1	3	318.402	0.469	50	10		DCCAHM
CN(C)CCNC=C1C(=O)[N-]C(=S)N(C2CCCCC2)C1=O	ZINC000002293374	276761210	/nfs/dbraw/zinc/76/12/10/276761210.db2.gz	LIOZSJVYYFBZQF-ZRDIBKRKSA-N	-1	3	324.450	0.598	50	10		DCCAHM
CN(C)CCN/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000100778133	395763555	/nfs/dbraw/zinc/76/35/55/395763555.db2.gz	JLFSZJXRNFHVLC-FMIVXFBMSA-N	-1	3	320.324	0.444	50	10		DCCAHM