smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNS(=O)(=O)c1cn(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1S(=O)(=O)NC	ZINC000008595002	522313673	/nfs/dbraw/zinc/31/36/73/522313673.db2.gz	XPIPUXHJNUDBOH-UHFFFAOYSA-N	0	0	485.588	-0.338	50	10		JBCARN
Cn1c2c([nH]c1=NNC=C1C(=O)NC(=S)N(CCC3=CCCCC3)C1=O)n(C)c(=O)n(C)c2=O	ZINC000009311946	555088607	/nfs/dbraw/zinc/08/86/07/555088607.db2.gz	SOLRYAKLDRMTHA-QBFSEMIESA-N	0	0	486.558	-0.095	50	10		JBCARN
Cn1c2c([nH]c1=NNC=C1C(=O)NC(=S)N(C3CCCCC3)C1=O)n(C)c(=O)n(C)c2=O	ZINC000009373824	555135610	/nfs/dbraw/zinc/13/56/10/555135610.db2.gz	QZVWJQTXDZCJDN-LUAWRHEFSA-N	0	0	460.520	-0.653	50	10		JBCARN
CN1C(=O)[N-]C(=O)/C(=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2C[N@@H+](C)CCN32)C1=O	ZINC000009487893	523931006	/nfs/dbraw/zinc/93/10/06/523931006.db2.gz	QVXGRVDKXSNWIX-MJSCBBHESA-N	0	0	494.508	-0.509	50	10		JBCARN
COC(=O)c1[nH]c(=O)c2c(c1C(=O)OC)C(=O)c1c(=O)[nH]c(C(=O)OC)c(C(=O)OC)c1C2=O	ZINC000012296530	522386756	/nfs/dbraw/zinc/38/67/56/522386756.db2.gz	YYHLACNFNPJJCY-UHFFFAOYSA-N	0	0	474.334	-0.190	50	10	biogenic	JBCARN
COc1ccc(N2CCN(CCNC(=O)Cn3ccc4c3n(C)c(=O)n(C)c4=O)CC2)cc1	ZINC000013353332	555381539	/nfs/dbraw/zinc/38/15/39/555381539.db2.gz	JKSPQMBWSAVGRH-UHFFFAOYSA-N	0	0	454.531	-0.014	50	10		JBCARN
COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3C[C@H](O)CO)CC2)cc1	ZINC000056923731	569592497	/nfs/dbraw/zinc/59/24/97/569592497.db2.gz	AGXQASRSPYHJMM-INIZCTEOSA-N	0	0	458.519	-0.882	50	10		JBCARN
COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3C[C@@H](O)CO)CC2)cc1	ZINC000056923732	569592473	/nfs/dbraw/zinc/59/24/73/569592473.db2.gz	AGXQASRSPYHJMM-MRXNPFEDSA-N	0	0	458.519	-0.882	50	10		JBCARN
COC(=O)Cn1c(CN2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000057122051	569594633	/nfs/dbraw/zinc/59/46/33/569594633.db2.gz	OGELMIZWXMXCBT-UHFFFAOYSA-N	0	0	456.503	-0.063	50	10		JBCARN