smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1	ZINC000033316243	521460037	/nfs/dbraw/zinc/46/00/37/521460037.db2.gz	GIOMCBIWAUOTJF-PDGQHHTCSA-N	0	2	474.425	4.359	10	10		JICELN
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I	ZINC000033410937	523415832	/nfs/dbraw/zinc/41/58/32/523415832.db2.gz	PRJHTNAZIHZLKO-JYRVWZFOSA-N	0	2	482.661	4.460	10	10		JICELN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1	ZINC000033319966	524391980	/nfs/dbraw/zinc/39/19/80/524391980.db2.gz	XJFYTWNTCAMQPW-UNOMPAQXSA-N	0	2	460.402	4.297	10	10		JICELN
O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000034107191	518202599	/nfs/dbraw/zinc/20/25/99/518202599.db2.gz	JBWXSRGHVMUZQI-VZUCSPMQSA-N	0	2	457.067	4.126	10	10		JICELN
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1cccc(C)c1C)C[N@@H+](Cc1ccccc1O)CC2	ZINC000019607638	556357264	/nfs/dbraw/zinc/35/72/64/556357264.db2.gz	DFBIOTQEXMEADO-UHFFFAOYSA-N	0	2	486.615	4.216	10	10		JICELN
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1cccc(C)c1C)C[N@H+](Cc1ccccc1O)CC2	ZINC000019607638	556357266	/nfs/dbraw/zinc/35/72/66/556357266.db2.gz	DFBIOTQEXMEADO-UHFFFAOYSA-N	0	2	486.615	4.216	10	10		JICELN
CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC	ZINC000033295572	520799019	/nfs/dbraw/zinc/79/90/19/520799019.db2.gz	UQFDJRKYVULKEY-MFOYZWKCSA-N	0	2	486.908	4.414	10	10		JICELN
CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC	ZINC000033411681	520800248	/nfs/dbraw/zinc/80/02/48/520800248.db2.gz	OVDAHYASIHRGHV-BOPFTXTBSA-N	0	2	472.881	4.187	10	10		JICELN
Cc1cc(Br)c(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)cc1C	ZINC000033438259	526152998	/nfs/dbraw/zinc/15/29/98/526152998.db2.gz	CONYCWGIAAZGJO-QGOAFFKASA-N	0	2	484.350	4.409	10	10		JICELN
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1I	ZINC000033409286	523415957	/nfs/dbraw/zinc/41/59/57/523415957.db2.gz	QMAZDACSENDHLO-ZROIWOOFSA-N	0	2	462.243	4.115	10	10		JICELN
O=C(Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21)Nc1ccccc1	ZINC000059336672	195397622	/nfs/dbraw/zinc/39/76/22/195397622.db2.gz	ADVYVLAVBRUMJW-HMAPJEAMSA-N	0	2	482.471	4.086	10	10		JICELN
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1I	ZINC000033317775	523416192	/nfs/dbraw/zinc/41/61/92/523416192.db2.gz	HELLXNIWKZSSNU-DHDCSXOGSA-N	0	2	476.270	4.423	10	10		JICELN
CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1OC	ZINC000033409658	520800623	/nfs/dbraw/zinc/80/06/23/520800623.db2.gz	MPOAIJMAUQDJDP-UYRXBGFRSA-N	0	2	480.517	4.441	10	10		JICELN
Cc1ccc(NC(=O)Cn2cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1	ZINC000059336675	195397844	/nfs/dbraw/zinc/39/78/44/195397844.db2.gz	HPZAZQUFOIPSMZ-UCQKPKSFSA-N	0	2	496.498	4.394	10	10		JICELN
COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c(Br)c(Br)c1O	ZINC000016194696	521960026	/nfs/dbraw/zinc/96/00/26/521960026.db2.gz	ZWFIMXWOBSEVGL-XFFZJAGNSA-N	0	2	496.111	4.433	10	10		JICELN
Cc1cccc(NC(=O)Cn2cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1	ZINC000059336677	195397849	/nfs/dbraw/zinc/39/78/49/195397849.db2.gz	VTEZQWIOGGWBFG-UCQKPKSFSA-N	0	2	496.498	4.394	10	10		JICELN
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OC(C)C	ZINC000059399112	195398886	/nfs/dbraw/zinc/39/88/86/195398886.db2.gz	ASQXBGSLDJXTNW-YBEGLDIGSA-N	0	2	473.323	4.220	10	10		JICELN