smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)cc([C@@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C(=O)[O-])c1	ZINC000797710185	939168784	/nfs/dbraw/zinc/16/87/84/939168784.db2.gz	ULOFIGVAPKOIOY-HYFFOGBASA-N	-1	0	443.519	3.681	20	10		IHCDRM
Cc1cc(C(=O)NC2(C(=O)[O-])CCSCC2)c(C)n1-c1ccccc1Br	ZINC000776662449	939101908	/nfs/dbraw/zinc/10/19/08/939101908.db2.gz	KVGGIIQSFVIOJC-UHFFFAOYSA-N	-1	0	437.359	3.937	20	10		IHCDRM
Cc1cc([C@@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C(=O)[O-])ccc1F	ZINC000797710066	939168652	/nfs/dbraw/zinc/16/86/52/939168652.db2.gz	QTJVHEOAGJNDDI-LRAJWGHMSA-N	-1	0	447.482	3.512	20	10		IHCDRM
CCO[C@H]1C[C@](NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)(C(=O)[O-])C1(C)C	ZINC000797714917	939175641	/nfs/dbraw/zinc/17/56/41/939175641.db2.gz	GYTNNMWXARJMMF-RDPSFJRHSA-N	-1	0	431.577	3.913	20	10		IHCDRM
O=C(c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2nsnc21)N1CCCCC1	ZINC000040822624	563107028	/nfs/dbraw/zinc/10/70/28/563107028.db2.gz	CODNVKZNSSLHQO-UHFFFAOYSA-N	-1	0	436.946	3.772	20	10		IHCDRM
C[C@H](NC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1	ZINC000797715466	939176266	/nfs/dbraw/zinc/17/62/66/939176266.db2.gz	QDFOHNRLKYMXTG-SBUREZEXSA-N	-1	0	433.508	3.863	20	10		IHCDRM
CC[C@@](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)(C(=O)[O-])c1ccccc1	ZINC000797710463	939169089	/nfs/dbraw/zinc/16/90/89/939169089.db2.gz	ZJDSOSNHSNSDNK-SRGWNRLKSA-N	-1	0	443.519	3.629	20	10		IHCDRM
C[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccc(N2CCOCC2)cc1	ZINC000797716102	939177333	/nfs/dbraw/zinc/17/73/33/939177333.db2.gz	VILOKHNSCPXRQF-BFUOFWGJSA-N	-1	0	435.883	3.502	20	10		IHCDRM
Cc1ccc([C@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C(=O)[O-])cc1C	ZINC000797710197	939168752	/nfs/dbraw/zinc/16/87/52/939168752.db2.gz	UZJCVCCANLFPTM-YVHKJVDXSA-N	-1	0	443.519	3.681	20	10		IHCDRM
CC[C@](NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)(C(=O)[O-])c1ccccc1	ZINC000797710464	939168941	/nfs/dbraw/zinc/16/89/41/939168941.db2.gz	ZJDSOSNHSNSDNK-WOGXIUBCSA-N	-1	0	443.519	3.629	20	10		IHCDRM
CC[C@](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)(C(=O)[O-])c1ccccc1	ZINC000797710465	939169067	/nfs/dbraw/zinc/16/90/67/939169067.db2.gz	ZJDSOSNHSNSDNK-XVTZWQNCSA-N	-1	0	443.519	3.629	20	10		IHCDRM
Cc1cccc([C@@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C(=O)[O-])c1C	ZINC000797710208	939168773	/nfs/dbraw/zinc/16/87/73/939168773.db2.gz	VFOWUXSWPYFQLZ-ZMPRRUGASA-N	-1	0	443.519	3.681	20	10		IHCDRM
Cc1cccc([C@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C(=O)[O-])c1C	ZINC000797710206	939168701	/nfs/dbraw/zinc/16/87/01/939168701.db2.gz	VFOWUXSWPYFQLZ-MCFFVMPBSA-N	-1	0	443.519	3.681	20	10		IHCDRM
CCO[C@H]1C[C@@](NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)(C(=O)[O-])C1(C)C	ZINC000797714915	939175714	/nfs/dbraw/zinc/17/57/14/939175714.db2.gz	GYTNNMWXARJMMF-GBXCKJPGSA-N	-1	0	431.577	3.913	20	10		IHCDRM
Cc1cc(C)cc([C@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C(=O)[O-])c1	ZINC000797710184	939168803	/nfs/dbraw/zinc/16/88/03/939168803.db2.gz	ULOFIGVAPKOIOY-HOIFWPIMSA-N	-1	0	443.519	3.681	20	10		IHCDRM
Cc1ccc([C@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C(=O)[O-])cc1C	ZINC000797710194	939168823	/nfs/dbraw/zinc/16/88/23/939168823.db2.gz	UZJCVCCANLFPTM-HOIFWPIMSA-N	-1	0	443.519	3.681	20	10		IHCDRM
Cc1cc([C@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C(=O)[O-])ccc1F	ZINC000797710068	939168578	/nfs/dbraw/zinc/16/85/78/939168578.db2.gz	QTJVHEOAGJNDDI-ZSDSOXJFSA-N	-1	0	447.482	3.512	20	10		IHCDRM
C[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1	ZINC000797715468	939176174	/nfs/dbraw/zinc/17/61/74/939176174.db2.gz	QDFOHNRLKYMXTG-UZUQRXQVSA-N	-1	0	433.508	3.863	20	10		IHCDRM
C[C@H](NC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21)c1ccc(N2CCOCC2)cc1	ZINC000797715875	939176574	/nfs/dbraw/zinc/17/65/74/939176574.db2.gz	SPKYULCIVOOAEH-GAJHUEQPSA-N	-1	0	433.508	3.863	20	10		IHCDRM
C[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1	ZINC000797715462	939176211	/nfs/dbraw/zinc/17/62/11/939176211.db2.gz	QDFOHNRLKYMXTG-HXOBKFHXSA-N	-1	0	433.508	3.863	20	10		IHCDRM
C[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccc(N2CCOCC2)cc1	ZINC000797716108	939177254	/nfs/dbraw/zinc/17/72/54/939177254.db2.gz	VILOKHNSCPXRQF-YJYMSZOUSA-N	-1	0	435.883	3.502	20	10		IHCDRM
O=C([O-])[C@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000756383783	1126108371	/nfs/dbraw/zinc/10/83/71/1126108371.db2.gz	NUQNQCWACRWSCT-INIZCTEOSA-N	-1	0	433.873	3.863	20	10		IHCDRM
C[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21)c1ccc(N2CCOCC2)cc1	ZINC000797715878	939176833	/nfs/dbraw/zinc/17/68/33/939176833.db2.gz	SPKYULCIVOOAEH-UZUQRXQVSA-N	-1	0	433.508	3.863	20	10		IHCDRM
Cc1ccc([C@@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C(=O)[O-])cc1C	ZINC000797710195	939168641	/nfs/dbraw/zinc/16/86/41/939168641.db2.gz	UZJCVCCANLFPTM-HYFFOGBASA-N	-1	0	443.519	3.681	20	10		IHCDRM
Cc1cc(C)cc([C@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C(=O)[O-])c1	ZINC000797710187	939168677	/nfs/dbraw/zinc/16/86/77/939168677.db2.gz	ULOFIGVAPKOIOY-YVHKJVDXSA-N	-1	0	443.519	3.681	20	10		IHCDRM
Cc1ccc([C@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C(=O)[O-])cc1C	ZINC000797710196	939168682	/nfs/dbraw/zinc/16/86/82/939168682.db2.gz	UZJCVCCANLFPTM-JKSBSHDWSA-N	-1	0	443.519	3.681	20	10		IHCDRM
Cc1cccc([C@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C(=O)[O-])c1C	ZINC000797710207	939168618	/nfs/dbraw/zinc/16/86/18/939168618.db2.gz	VFOWUXSWPYFQLZ-WCJKSRRJSA-N	-1	0	443.519	3.681	20	10		IHCDRM
CCO[C@@H]1C[C@@](NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)(C(=O)[O-])C1(C)C	ZINC000797714916	939175665	/nfs/dbraw/zinc/17/56/65/939175665.db2.gz	GYTNNMWXARJMMF-HYBUGGRVSA-N	-1	0	431.577	3.913	20	10		IHCDRM
O=C([O-])[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCCCC1	ZINC000780524549	939130437	/nfs/dbraw/zinc/13/04/37/939130437.db2.gz	BWRZNOMXMVKPGK-GOSISDBHSA-N	-1	0	425.476	3.590	20	10		IHCDRM
Cc1cc([C@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C(=O)[O-])ccc1F	ZINC000797710067	939168645	/nfs/dbraw/zinc/16/86/45/939168645.db2.gz	QTJVHEOAGJNDDI-PZPWOCDFSA-N	-1	0	447.482	3.512	20	10		IHCDRM
Cc1cc(C)cc([C@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C(=O)[O-])c1	ZINC000797710186	939168687	/nfs/dbraw/zinc/16/86/87/939168687.db2.gz	ULOFIGVAPKOIOY-JKSBSHDWSA-N	-1	0	443.519	3.681	20	10		IHCDRM
Cc1cc([C@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C(=O)[O-])ccc1F	ZINC000797710065	939168582	/nfs/dbraw/zinc/16/85/82/939168582.db2.gz	QTJVHEOAGJNDDI-GXZWQRSESA-N	-1	0	447.482	3.512	20	10		IHCDRM
C[C@H](NC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccc(N2CCOCC2)cc1	ZINC000797716104	939177301	/nfs/dbraw/zinc/17/73/01/939177301.db2.gz	VILOKHNSCPXRQF-DJJJIMSYSA-N	-1	0	435.883	3.502	20	10		IHCDRM
C[C@H](NC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccc(N2CCOCC2)cc1	ZINC000797716107	939177306	/nfs/dbraw/zinc/17/73/06/939177306.db2.gz	VILOKHNSCPXRQF-ORAYPTAESA-N	-1	0	435.883	3.502	20	10		IHCDRM
C[C@@H](NC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21)c1ccc(N2CCOCC2)cc1	ZINC000797715876	939176624	/nfs/dbraw/zinc/17/66/24/939176624.db2.gz	SPKYULCIVOOAEH-HXOBKFHXSA-N	-1	0	433.508	3.863	20	10		IHCDRM
Cc1cc(C(=O)NC2(C(=O)[O-])CCSCC2)c(C)n1-c1ccc(Br)cc1	ZINC000776663555	939102437	/nfs/dbraw/zinc/10/24/37/939102437.db2.gz	BCRWCJGDUKSCNX-UHFFFAOYSA-N	-1	0	437.359	3.937	20	10		IHCDRM
C[C@H](NC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1	ZINC000797715459	939176317	/nfs/dbraw/zinc/17/63/17/939176317.db2.gz	QDFOHNRLKYMXTG-GAJHUEQPSA-N	-1	0	433.508	3.863	20	10		IHCDRM
C[C@H](NC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21)c1ccc(N2CCOCC2)cc1	ZINC000797715877	939176854	/nfs/dbraw/zinc/17/68/54/939176854.db2.gz	SPKYULCIVOOAEH-SBUREZEXSA-N	-1	0	433.508	3.863	20	10		IHCDRM
O=C([O-])[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCCCC1	ZINC000780524550	939130537	/nfs/dbraw/zinc/13/05/37/939130537.db2.gz	BWRZNOMXMVKPGK-SFHVURJKSA-N	-1	0	425.476	3.590	20	10		IHCDRM
Cc1cccc([C@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C(=O)[O-])c1C	ZINC000797710205	939168755	/nfs/dbraw/zinc/16/87/55/939168755.db2.gz	VFOWUXSWPYFQLZ-DMPWYTOCSA-N	-1	0	443.519	3.681	20	10		IHCDRM
CCO[C@@H]1C[C@](NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)(C(=O)[O-])C1(C)C	ZINC000797714918	939175647	/nfs/dbraw/zinc/17/56/47/939175647.db2.gz	GYTNNMWXARJMMF-YKSBVNFPSA-N	-1	0	431.577	3.913	20	10		IHCDRM
Cc1cc(C(=O)NC2(C(=O)[O-])CCSCC2)c(C)n1-c1cccc(Br)c1	ZINC000776662886	939101610	/nfs/dbraw/zinc/10/16/10/939101610.db2.gz	XBWPAHDGYWSYFO-UHFFFAOYSA-N	-1	0	437.359	3.937	20	10		IHCDRM
CC[C@](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)(C(=O)[O-])c1ccccc1	ZINC000797710462	939169038	/nfs/dbraw/zinc/16/90/38/939169038.db2.gz	ZJDSOSNHSNSDNK-HOZJOUCCSA-N	-1	0	443.519	3.629	20	10		IHCDRM
O=C([O-])[C@@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000756383785	1126108440	/nfs/dbraw/zinc/10/84/40/1126108440.db2.gz	NUQNQCWACRWSCT-MRXNPFEDSA-N	-1	0	433.873	3.863	20	10		IHCDRM