smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)c2ccc(NNC=C3C(=O)NC(=O)NC3=O)cc2)cc1	ZINC000006561605	569066127	/nfs/dbraw/zinc/06/61/27/569066127.db2.gz	VORTZHAOXCFACR-UHFFFAOYSA-N	0	2	400.416	0.994	50	10		HCCALN
Cc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=S)NC3=O)cc2)no1	ZINC000017025691	558812031	/nfs/dbraw/zinc/81/20/31/558812031.db2.gz	CVNDPROBVCUPAC-UHFFFAOYSA-N	0	2	407.433	0.611	50	10		HCCALN
Cc1ccnc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)NC3=O)cc2)n1	ZINC000017174115	558824795	/nfs/dbraw/zinc/82/47/95/558824795.db2.gz	QDGCTFLOIXTKAM-UHFFFAOYSA-N	0	2	402.392	0.248	50	10		HCCALN
O=C1NC(=S)NC(=O)C1=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000017174257	558824776	/nfs/dbraw/zinc/82/47/76/558824776.db2.gz	ZPSNNQDIMNTLSB-UHFFFAOYSA-N	0	2	409.474	0.771	50	10		HCCALN
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNCC[NH+]1CCOCC1	ZINC000019360687	558876059	/nfs/dbraw/zinc/87/60/59/558876059.db2.gz	OYFMLCNJPFMNBH-KAMYIIQDSA-N	0	2	423.267	0.838	50	10		HCCALN
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=CNCC[NH+]3CCOCC3)C2=O)c1	ZINC000019950240	558314837	/nfs/dbraw/zinc/31/48/37/558314837.db2.gz	AARPKDZRYWGKSA-WYMLVPIESA-N	0	2	404.423	0.092	50	10		HCCALN
CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(S(N)(=O)=O)c2)cc1	ZINC000089490114	569061137	/nfs/dbraw/zinc/06/11/37/569061137.db2.gz	AAXFTILLCDIXEQ-UHFFFAOYSA-N	0	2	406.463	0.244	50	10		HCCALN
CCOC(=O)c1cnc2c(N=Nc3ccc(S(N)(=O)=O)cc3)c(=O)[nH]n2c1N	ZINC000097944948	559124599	/nfs/dbraw/zinc/12/45/99/559124599.db2.gz	HZKHSZNLENQIFM-FMQUCBEESA-N	0	2	405.396	0.844	50	10		HCCALN
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNCC[NH+]1CCOCC1	ZINC000100778135	559265575	/nfs/dbraw/zinc/26/55/75/559265575.db2.gz	OYFMLCNJPFMNBH-SDNWHVSQSA-N	0	2	423.267	0.838	50	10		HCCALN
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNCC[NH+]1CCOCC1	ZINC000100778135	559265574	/nfs/dbraw/zinc/26/55/74/559265574.db2.gz	OYFMLCNJPFMNBH-SDNWHVSQSA-N	0	2	423.267	0.838	50	10		HCCALN
CCOC(=O)c1cnc2c(N=Nc3ccc(S(N)(=O)=O)cc3)c(=O)[nH]n2c1N	ZINC000252610226	569298144	/nfs/dbraw/zinc/29/81/44/569298144.db2.gz	HZKHSZNLENQIFM-UHFFFAOYSA-N	0	2	405.396	0.844	50	10		HCCALN
Cc1c2c(cc(=O)n1CC[NH+]1CCOCC1)[n-]n(-c1nc3ccccc3s1)c2=O	ZINC000669458774	568914516	/nfs/dbraw/zinc/91/45/16/568914516.db2.gz	FNLICUWTNXMWPL-UHFFFAOYSA-O	0	2	412.495	0.796	50	10		HCCALN