smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(Cn2c3ccc([O-])c(C(=O)NCCN(C)C)c3c3c2C(=O)c2ccccc2C3=O)cc(OC)c1	ZINC000001663197	561679328	/nfs/dbraw/zinc/67/93/28/561679328.db2.gz	ZRZVXPWVWQBEGS-UHFFFAOYSA-N	-1	1	527.577	3.479	1	10		KGCFMM
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])C(C)C)C(=O)[O-]	ZINC000026826001	561822035	/nfs/dbraw/zinc/82/20/35/561822035.db2.gz	LTLQCHXZWKMIIT-FUDKSRODSA-N	-1	1	580.545	3.319	1	10		KGCFMM
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C(C)C)C(=O)[O-]	ZINC000026832747	561823351	/nfs/dbraw/zinc/82/33/51/561823351.db2.gz	LFGFQBDNMGFGPF-FUDKSRODSA-N	-1	1	536.094	3.210	1	10		KGCFMM
COC(=O)c1cc2c(c([O-])c1[C@@H](C)OC(=O)CO)C(=O)c1c(O)cc3cc(C)c(Cl)c(OC)c3c1C2=O	ZINC000028973501	561986157	/nfs/dbraw/zinc/98/61/57/561986157.db2.gz	LMNHPKWXMIGBEL-SNVBAGLBSA-N	-1	1	528.897	3.380	1	10	in-vivo	KGCFMM
COC(=O)c1cc2c(c([O-])c1[C@H](C)OC(=O)CO)C(=O)c1c(O)cc3cc(C)c(Cl)c(OC)c3c1C2=O	ZINC000028973505	561986195	/nfs/dbraw/zinc/98/61/95/561986195.db2.gz	LMNHPKWXMIGBEL-JTQLQIEISA-N	-1	1	528.897	3.380	1	10	in-vivo	KGCFMM
COC(=O)c1c(C)c2c(cc1[O-])C(=O)c1ccc([C@]3(O)c4cccc(O)c4C(=O)c4c(C)c(C(=O)OC)c(O)cc43)c(O)c1C2=O	ZINC000049841049	562687988	/nfs/dbraw/zinc/68/79/88/562687988.db2.gz	JFUFATWECSQGDK-UUWRZZSWSA-N	-1	1	624.554	3.303	1	10	in-vitro	KGCFMM
COC(=O)c1c(C)c2c(cc1[O-])C(=O)c1ccc([C@@]3(O)c4cccc(O)c4C(=O)c4c(C)c(C(=O)OC)c(O)cc43)c(O)c1C2=O	ZINC000049841050	562687969	/nfs/dbraw/zinc/68/79/69/562687969.db2.gz	JFUFATWECSQGDK-UMSFTDKQSA-N	-1	1	624.554	3.303	1	10	in-vitro	KGCFMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(OC)c1OC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000072114770	562722806	/nfs/dbraw/zinc/72/28/06/562722806.db2.gz	RAKGPANWTGENRD-UQRIMIDWSA-N	-1	1	534.566	3.029	1	10		KGCFMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(OC)c1OC[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000072114771	562722784	/nfs/dbraw/zinc/72/27/84/562722784.db2.gz	RAKGPANWTGENRD-QABFYKEUSA-N	-1	1	534.566	3.029	1	10		KGCFMM
COc1ccc(C=C2SC(=S)[N-]C2=O)cc1OC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000072114783	562722793	/nfs/dbraw/zinc/72/27/93/562722793.db2.gz	FUPHHJPASWRWGU-MDNLHRODSA-N	-1	1	504.540	3.021	1	10		KGCFMM
COc1ccc(C=C2SC(=S)[N-]C2=O)cc1OC[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000072114784	562722808	/nfs/dbraw/zinc/72/28/08/562722808.db2.gz	FUPHHJPASWRWGU-WDIHCZPDSA-N	-1	1	504.540	3.021	1	10		KGCFMM
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4cc(CC=C(C)C)c(O)c(CN(C)C(=O)CN(C)C)c4)c(=O)oc3c2C)OC1(C)C	ZINC000072125152	562725180	/nfs/dbraw/zinc/72/51/80/562725180.db2.gz	GQDPPTXTWFHGBE-KRILQTMBSA-N	-1	1	740.807	3.147	1	10		KGCFMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000072142664	562729615	/nfs/dbraw/zinc/72/96/15/562729615.db2.gz	VIMCOBIOZIRDER-MDNLHRODSA-N	-1	1	504.540	3.021	1	10		KGCFMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000072142665	562729624	/nfs/dbraw/zinc/72/96/24/562729624.db2.gz	VIMCOBIOZIRDER-WDIHCZPDSA-N	-1	1	504.540	3.021	1	10		KGCFMM
C[C@@]1(CCc2ccc(N)cc2)Oc2cc3oc([C@H](O)c4cc(O)cc(O)c4)cc([O-])c-3c(=O)c2C[C@H]1O	ZINC000085593548	560065151	/nfs/dbraw/zinc/06/51/51/560065151.db2.gz	LWMIWKRDSFZRDP-INOCPDNRSA-N	-1	1	505.523	3.261	1	10	biogenic,in-vitro	KGCFMM
C[C@@]1(CCc2ccc(N)cc2)Oc2cc3oc([C@H](O)c4cc(O)cc(O)c4)cc(=O)c3c([O-])c2C[C@H]1O	ZINC000085593548	560065149	/nfs/dbraw/zinc/06/51/49/560065149.db2.gz	LWMIWKRDSFZRDP-INOCPDNRSA-N	-1	1	505.523	3.261	1	10	biogenic,in-vitro	KGCFMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2cc(Br)ccc2oc1=O	ZINC000103187288	562815477	/nfs/dbraw/zinc/81/54/77/562815477.db2.gz	FPJZWEODZOWEHF-UHFFFAOYSA-N	-1	1	521.352	3.323	1	10		KGCFMM
O=C1[N-]C(=S)NC(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2cc(Br)ccc2oc1=O	ZINC000103187288	562815476	/nfs/dbraw/zinc/81/54/76/562815476.db2.gz	FPJZWEODZOWEHF-UHFFFAOYSA-N	-1	1	521.352	3.323	1	10		KGCFMM
O=C1[N-]C(=S)NC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc2cc(Br)ccc2oc1=O	ZINC000103187288	562815475	/nfs/dbraw/zinc/81/54/75/562815475.db2.gz	FPJZWEODZOWEHF-UHFFFAOYSA-N	-1	1	521.352	3.323	1	10		KGCFMM
O=C(c1ccncc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC000113624015	562826655	/nfs/dbraw/zinc/82/66/55/562826655.db2.gz	MOOBGYSBQNTSFE-UHFFFAOYSA-N	-1	1	506.005	3.002	1	10		KGCFMM
CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(S(=O)(=O)[N-]c3ccc(O)cc3)c2)CC1	ZINC000169703433	562868743	/nfs/dbraw/zinc/86/87/43/562868743.db2.gz	FOGSOIFBEOMPBL-UHFFFAOYSA-N	-1	1	525.649	3.118	1	10		KGCFMM
Cn1nc(C(=O)[O-])c2c1-c1nc(Nc3cc(N4CCN(C)CC4)ccc3OC(F)(F)F)ncc1CC2	ZINC000169709963	562870489	/nfs/dbraw/zinc/87/04/89/562870489.db2.gz	QROBXWMBDYEVNI-UHFFFAOYSA-N	-1	1	503.485	3.068	1	10		KGCFMM