smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1c[nH]c(=O)[n-]c1=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)NC3C=NC(=O)NC3=O)cc1)C2=O	ZINC000002924913	552222561	/nfs/dbraw/zinc/22/25/61/552222561.db2.gz	DMBKGOQZSZVXFK-UHFFFAOYSA-N	-1	3	529.425	-0.255	50	0		KBAAHM
O=C1c2ccc(-c3ccc4c(c3)C(=O)N(c3c[nH]c(=O)[nH]c3=O)C4=O)cc2C(=O)N1c1c[nH]c(=O)[n-]c1=O	ZINC000003037864	552271953	/nfs/dbraw/zinc/27/19/53/552271953.db2.gz	MPFTUHNZJFZILO-UHFFFAOYSA-N	-1	3	512.394	-0.292	50	0		KBAAHM
O=C(c1ccc2c(c1)C(=O)N(c1c[nH]c(=O)[n-]c1=O)C2=O)c1ccc2c(c1)C(=O)N(c1c[nH]c(=O)[nH]c1=O)C2=O	ZINC000003037868	552272009	/nfs/dbraw/zinc/27/20/09/552272009.db2.gz	MIKKMDSIGLQDDO-UHFFFAOYSA-N	-1	3	540.404	-0.728	50	0		KBAAHM
O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3c[nH]c(=O)[nH]c3=O)C4=O)cc2C(=O)N1c1c[nH]c(=O)[n-]c1=O	ZINC000003142884	552295344	/nfs/dbraw/zinc/29/53/44/552295344.db2.gz	WGFHZYPEMGQMRU-UHFFFAOYSA-N	-1	3	528.393	-0.167	50	0		KBAAHM
O=C(Nc1c[nH]c(=O)[n-]c1=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)NC3C=NC(=O)NC3=O)c1)C2=O	ZINC000003143008	552295428	/nfs/dbraw/zinc/29/54/28/552295428.db2.gz	REIZYGOELSGEIG-UHFFFAOYSA-N	-1	3	529.425	-0.255	50	0		KBAAHM
Cn1c(N)c(C(=O)COC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2[O-])c(=O)n(C)c1=O	ZINC000003346651	552365008	/nfs/dbraw/zinc/36/50/08/552365008.db2.gz	ROIJYZKRNFBTMN-UHFFFAOYSA-N	-1	3	502.505	-0.110	50	0		KBAAHM
CN(C)CCn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1	ZINC000003830445	552418907	/nfs/dbraw/zinc/41/89/07/552418907.db2.gz	QYQDKDWGWDOFFU-IUODEOHRSA-N	-1	3	525.642	-0.653	50	0	world	KBAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1	ZINC000020154257	553598539	/nfs/dbraw/zinc/59/85/39/553598539.db2.gz	OEZUVQWOTNYOIN-UHFFFAOYSA-N	-1	3	519.580	-0.155	50	0		KBAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC(C(=O)NCCN2CCN(c3ccccc3)CC2)CC1	ZINC000063453586	554508832	/nfs/dbraw/zinc/50/88/32/554508832.db2.gz	LGCGERBISUBKQF-UHFFFAOYSA-N	-1	3	504.613	-0.289	50	0		KBAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)Nc1ccc(-n2nnc(C(=O)N3CCN(c4ccccn4)CC3)c2N)cc1	ZINC000101377173	554746693	/nfs/dbraw/zinc/74/66/93/554746693.db2.gz	WACLVPOVRGGMRO-UHFFFAOYSA-N	-1	3	552.577	-0.307	50	0		KBAAHM
COc1ccc(-c2cc([O-])c3c(=O)c(OC)c(O[C@H]4O[C@@H](CO[C@@H]5O[C@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]5O)[C@H](O)[C@@H](O)[C@@H]4O)cc-3o2)cc1	ZINC000253530683	572298442	/nfs/dbraw/zinc/29/84/42/572298442.db2.gz	PXJGTASAGKWQQJ-AYVCKALWSA-N	-1	3	664.613	-0.216	50	0		KBAAHM
COc1ccc(-c2cc([O-])c3c(=O)c(OC)c(O[C@H]4O[C@@H](CO[C@@H]5O[C@H](C)[C@H](OC(C)=O)[C@@H](O)[C@@H]5O)[C@H](O)[C@@H](O)[C@@H]4O)cc-3o2)cc1	ZINC000253530685	572298446	/nfs/dbraw/zinc/29/84/46/572298446.db2.gz	PXJGTASAGKWQQJ-BHLFUERZSA-N	-1	3	664.613	-0.216	50	0		KBAAHM
COc1ccc(-c2cc([O-])c3c(=O)c(OC)c(O[C@H]4O[C@@H](CO[C@@H]5O[C@H](C)[C@@H](OC(C)=O)[C@H](O)[C@@H]5O)[C@H](O)[C@@H](O)[C@@H]4O)cc-3o2)cc1	ZINC000253530687	572298435	/nfs/dbraw/zinc/29/84/35/572298435.db2.gz	PXJGTASAGKWQQJ-GVTLDHFUSA-N	-1	3	664.613	-0.216	50	0		KBAAHM
COc1ccc(-c2cc([O-])c3c(=O)c(OC)c(O[C@H]4O[C@@H](CO[C@@H]5O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@@H]5O)[C@H](O)[C@@H](O)[C@@H]4O)cc-3o2)cc1	ZINC000253530689	572298453	/nfs/dbraw/zinc/29/84/53/572298453.db2.gz	PXJGTASAGKWQQJ-QCAPPXDOSA-N	-1	3	664.613	-0.216	50	0		KBAAHM
Cc1nc(C)c(CC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](C)C(=O)N[C@H](c4ccccc4)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N3C2)c(=O)[n-]1	ZINC000952855807	1066214468	/nfs/dbraw/zinc/21/44/68/1066214468.db2.gz	CNFLSXJXUJXMNK-OXEZHCTRSA-N	-1	3	694.790	-0.799	50	0		KBAAHM
COCCNC(=O)[C@@H]1Cc2ccc(cc2)Oc2ccc([O-])c(c2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1	ZINC000952865351	1066225662	/nfs/dbraw/zinc/22/56/62/1066225662.db2.gz	WLYUSRQTVIEKKE-AUKWGBGVSA-N	-1	3	528.562	-0.028	50	0		KBAAHM
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)CN2CCCN(C)CC2)Cc2c3ccccc3[nH]c2SC[C@@H](C(=O)[O-])NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC1=O	ZINC000952869099	1066222594	/nfs/dbraw/zinc/22/25/94/1066222594.db2.gz	IFQAQEDZOVPNFF-IZVSGLEFSA-N	-1	3	744.916	-0.591	50	0		KBAAHM
CCc1nc(C)c(CC(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H]([C@@H](C)CC)NC(=O)C2)c(=O)[n-]1	ZINC000952869388	1066222394	/nfs/dbraw/zinc/22/23/94/1066222394.db2.gz	JGTBJQDPRVNZPT-QTHFDVOSSA-N	-1	3	651.765	-0.226	50	0		KBAAHM