smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cc(Nc2cccc(Cl)c2[O-])c([O-])cc1F ZINC001210222994 1134171628 /nfs/dbraw/zinc/17/16/28/1134171628.db2.gz GNQBVHCTBJFREQ-UHFFFAOYSA-N -2 3 278.670 3.506 20 30 CHEDHL CCCCCCC[C@H](CCC)OCCP(=O)([O-])[O-] ZINC001224602359 1135461656 /nfs/dbraw/zinc/46/16/56/1135461656.db2.gz QMGSENYDGRXRIM-ZDUSSCGKSA-N -2 3 280.345 3.710 20 30 CHEDHL [O-]/N=C1/CCc2cc(-c3c(F)cc(F)c([O-])c3F)ccc21 ZINC001236000868 1130830597 /nfs/dbraw/zinc/83/05/97/1130830597.db2.gz YQXVOMKSXLUXID-UNOMPAQXSA-N -2 3 293.244 3.601 20 30 CHEDHL C=CC[C@@H](CCCC)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228972851 1131989705 /nfs/dbraw/zinc/98/97/05/1131989705.db2.gz DZSAQHQPZAPQAQ-NSHDSACASA-N -2 3 281.308 3.520 20 30 CHEDHL CCc1oc(C)c([O-])c1Oc1c([O-])ccc2ccccc21 ZINC001231228930 1132274232 /nfs/dbraw/zinc/27/42/32/1132274232.db2.gz XQKYYNMJPPWMEE-SNVBAGLBSA-N -2 3 284.311 3.534 20 30 CHEDHL CCCCCCC[C@@H](CCC)OCCP(=O)([O-])[O-] ZINC001224602358 1135461408 /nfs/dbraw/zinc/46/14/08/1135461408.db2.gz QMGSENYDGRXRIM-CYBMUJFWSA-N -2 3 280.345 3.710 20 30 CHEDHL CCCCCCCCC[C@H](C)OCCP(=O)([O-])[O-] ZINC001224602314 1135461477 /nfs/dbraw/zinc/46/14/77/1135461477.db2.gz QCWUEGBTFLRCNG-ZDUSSCGKSA-N -2 3 280.345 3.710 20 30 CHEDHL Cc1ccc([O-])c(C(=O)/C=C\c2c(F)ccc([O-])c2F)c1 ZINC000794940549 1124086726 /nfs/dbraw/zinc/08/67/26/1124086726.db2.gz AAISWJQZRISFEX-UTCJRWHESA-N -2 3 290.265 3.581 20 30 CHEDHL C=C[C@H](CCCCC)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228971809 1131987696 /nfs/dbraw/zinc/98/76/96/1131987696.db2.gz RXGXHRZDKRJQAK-LLVKDONJSA-N -2 3 281.308 3.520 20 30 CHEDHL N#Cc1c([O-])csc1Nc1c(Cl)ccc([O-])c1F ZINC001214556011 1129428012 /nfs/dbraw/zinc/42/80/12/1129428012.db2.gz GBLKZQYVMWZLJC-UHFFFAOYSA-N -2 3 284.699 3.567 20 30 CHEDHL Cc1c(Cl)c(-c2cccc(/C=N/[O-])c2)ccc1C(=O)[O-] ZINC001236128548 1130871820 /nfs/dbraw/zinc/87/18/20/1130871820.db2.gz OHNPBNLMLQOSRQ-CAOOACKPSA-N -2 3 289.718 3.822 20 30 CHEDHL C=CC[C@H](CCCC)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228972850 1131989469 /nfs/dbraw/zinc/98/94/69/1131989469.db2.gz DZSAQHQPZAPQAQ-LLVKDONJSA-N -2 3 281.308 3.520 20 30 CHEDHL CCCCCCCCC[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224602313 1135461472 /nfs/dbraw/zinc/46/14/72/1135461472.db2.gz QCWUEGBTFLRCNG-CYBMUJFWSA-N -2 3 280.345 3.710 20 30 CHEDHL N#Cc1cc(Nc2c([O-])cccc2Cl)c([O-])cc1F ZINC001215986813 1134741325 /nfs/dbraw/zinc/74/13/25/1134741325.db2.gz RHDCMGCTYINIQO-UHFFFAOYSA-N -2 3 278.670 3.506 20 30 CHEDHL C/C(=N\[O-])c1ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)cc1 ZINC001206058120 1133651046 /nfs/dbraw/zinc/65/10/46/1133651046.db2.gz GVGMEIFMGUQWPY-QGMBQPNBSA-N -2 3 291.253 3.528 20 30 CHEDHL N#Cc1ccc([O-])c(Nc2ccc(Cl)c([O-])c2F)c1 ZINC001214801302 1134574800 /nfs/dbraw/zinc/57/48/00/1134574800.db2.gz IRMBKDXUOFCYBU-UHFFFAOYSA-N -2 3 278.670 3.506 20 30 CHEDHL CCc1oc(C)c([O-])c1Oc1cc2ccccc2cc1[O-] ZINC001225736811 1135615858 /nfs/dbraw/zinc/61/58/58/1135615858.db2.gz FIJBWWDMECZALY-SNVBAGLBSA-N -2 3 284.311 3.534 20 30 CHEDHL Cc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)c([O-])c1 ZINC000794941775 1124094671 /nfs/dbraw/zinc/09/46/71/1124094671.db2.gz XNUDVWLWAVAQEC-GQCTYLIASA-N -2 3 290.265 3.581 20 30 CHEDHL Cc1cc(Nc2cc(C#N)c(F)cc2[O-])cc(Cl)c1[O-] ZINC001216087160 1134772848 /nfs/dbraw/zinc/77/28/48/1134772848.db2.gz MWMYIZTXDWTOIN-UHFFFAOYSA-N -2 3 292.697 3.814 20 30 CHEDHL O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ccc([O-])cc1 ZINC000049371771 1123240516 /nfs/dbraw/zinc/24/05/16/1123240516.db2.gz MNOICKPISJRHMB-LREOWRDNSA-N -2 3 274.703 3.647 20 30 CHEDHL Cc1ccc(/C=C/C(=O)c2ccc([O-])cc2[O-])c(C)c1 ZINC000039172727 174164796 /nfs/dbraw/zinc/16/47/96/174164796.db2.gz GAJPXCGUDBOROB-VMPITWQZSA-N -2 3 268.312 3.611 20 30 CHEDHL CCc1oc(C)c([O-])c1Oc1cc2ccccc2cc1[O-] ZINC001225736807 1135615788 /nfs/dbraw/zinc/61/57/88/1135615788.db2.gz FIJBWWDMECZALY-JTQLQIEISA-N -2 3 284.311 3.534 20 30 CHEDHL N#Cc1cc(Nc2cccc([O-])c2Cl)c([O-])cc1F ZINC001210859232 1134314038 /nfs/dbraw/zinc/31/40/38/1134314038.db2.gz BVJKMQSIYOXXRZ-UHFFFAOYSA-N -2 3 278.670 3.506 20 30 CHEDHL O=C([O-])Nc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000740703313 602431068 /nfs/dbraw/zinc/43/10/68/602431068.db2.gz LCRPZFNANKFHQB-UHFFFAOYSA-N -2 3 290.706 3.886 20 30 CHEDHL O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ccccc1[O-] ZINC000156599676 1127160018 /nfs/dbraw/zinc/16/00/18/1127160018.db2.gz JZROLQJDPNXUGU-FNORWQNLSA-N -2 3 274.703 3.647 20 30 CHEDHL C/C(=N\[O-])c1ccc(-c2c(F)cc(F)c([O-])c2F)cc1 ZINC001236000708 1130829505 /nfs/dbraw/zinc/82/95/05/1130829505.db2.gz LISAWQPTUZJTIJ-CNHKJKLMSA-N -2 3 281.233 3.675 20 30 CHEDHL C=C[C@@H](CCCCCCC)OCCCCP(=O)([O-])[O-] ZINC001225019192 1127321827 /nfs/dbraw/zinc/32/18/27/1127321827.db2.gz UKLXTHSJPWQWFX-AWEZNQCLSA-N -2 3 292.356 3.876 20 30 CHEDHL O=C(/C=C\c1ccc([O-])c(F)c1)c1ccc([O-])c(Cl)c1 ZINC000588480310 1118910751 /nfs/dbraw/zinc/91/07/51/1118910751.db2.gz ZBUKDVLMTOHFMK-RJRFIUFISA-N -2 3 292.693 3.786 20 30 CHEDHL C/C(=N\[O-])c1ccc(-c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001205115105 1128226562 /nfs/dbraw/zinc/22/65/62/1128226562.db2.gz MOAGMOPRKMVGAO-QGMBQPNBSA-N -2 3 291.253 3.528 20 30 CHEDHL CCCCCCC[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225023108 1135503134 /nfs/dbraw/zinc/50/31/34/1135503134.db2.gz UZVCLSOCGBIJRX-ZDUSSCGKSA-N -2 3 280.345 3.710 20 30 CHEDHL C=CCCCCCC[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019323 1127322475 /nfs/dbraw/zinc/32/24/75/1127322475.db2.gz VWCXGJZIXIBFGZ-CQSZACIVSA-N -2 3 292.356 3.876 20 30 CHEDHL C/C(=N\[O-])c1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001239365068 1131321127 /nfs/dbraw/zinc/32/11/27/1131321127.db2.gz DDMSOUKFRGXYBJ-QGMBQPNBSA-N -2 3 291.253 3.528 20 30 CHEDHL C=C[C@@H](CCCCCC)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228973206 1131989578 /nfs/dbraw/zinc/98/95/78/1131989578.db2.gz HYKSGDHLRFVPPS-LBPRGKRZSA-N -2 3 295.335 3.910 20 30 CHEDHL CCc1oc(C)c([O-])c1Oc1c([O-])ccc2ccccc21 ZINC001231228924 1132274555 /nfs/dbraw/zinc/27/45/55/1132274555.db2.gz XQKYYNMJPPWMEE-JTQLQIEISA-N -2 3 284.311 3.534 20 30 CHEDHL CCCCCCCC[C@@H](CC)OCCP(=O)([O-])[O-] ZINC001224603529 1135461562 /nfs/dbraw/zinc/46/15/62/1135461562.db2.gz ZOKFHUMJWTXDQH-CYBMUJFWSA-N -2 3 280.345 3.710 20 30 CHEDHL Cc1cc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)ccc1[O-] ZINC000728232158 1118069734 /nfs/dbraw/zinc/06/97/34/1118069734.db2.gz SIEFXVWKLBTSGA-DJWKRKHSSA-N -2 3 288.730 3.956 20 30 CHEDHL Cc1ccc([O-])c(C(=O)/C=C/c2c(F)ccc([O-])c2F)c1 ZINC000794940550 1124086571 /nfs/dbraw/zinc/08/65/71/1124086571.db2.gz AAISWJQZRISFEX-ZZXKWVIFSA-N -2 3 290.265 3.581 20 30 CHEDHL Cc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)c([O-])c1 ZINC000794941776 1124094515 /nfs/dbraw/zinc/09/45/15/1124094515.db2.gz XNUDVWLWAVAQEC-XQRVVYSFSA-N -2 3 290.265 3.581 20 30 CHEDHL N#Cc1cc(-c2ccc3[n-]c(=S)sc3c2)ccc1[O-] ZINC001242564672 1129937504 /nfs/dbraw/zinc/93/75/04/1129937504.db2.gz MQACDBARBDRTDH-UHFFFAOYSA-N -2 3 284.365 3.829 20 30 CHEDHL C=C[C@H](CCCCCCC)OCCCCP(=O)([O-])[O-] ZINC001225019193 1127323018 /nfs/dbraw/zinc/32/30/18/1127323018.db2.gz UKLXTHSJPWQWFX-CQSZACIVSA-N -2 3 292.356 3.876 20 30 CHEDHL CC(C)(C)c1noc([N-]c2c(F)ccc([O-])c2F)c1C#N ZINC001175263643 1121267235 /nfs/dbraw/zinc/26/72/35/1121267235.db2.gz ODPODZABXLKTEI-UHFFFAOYSA-N -2 3 293.273 3.571 20 30 CHEDHL N#Cc1cc(Nc2ccc(Cl)c([O-])c2)c([O-])cc1F ZINC001212593936 1129750573 /nfs/dbraw/zinc/75/05/73/1129750573.db2.gz MDZLZBWYLWANRK-UHFFFAOYSA-N -2 3 278.670 3.506 20 30 CHEDHL O=C(/C=C\c1ccc([O-])c(Cl)c1)c1ccc([O-])cc1 ZINC000209250411 1131204375 /nfs/dbraw/zinc/20/43/75/1131204375.db2.gz MNOICKPISJRHMB-XFSBKJJWSA-N -2 3 274.703 3.647 20 30 CHEDHL N#Cc1ccc([O-])c(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214489689 1120311947 /nfs/dbraw/zinc/31/19/47/1120311947.db2.gz HHJJDPCUZVDARE-UHFFFAOYSA-N -2 3 278.670 3.506 20 30 CHEDHL O=C(/C=C\c1ccc([O-])c(Cl)c1)c1ccccc1[O-] ZINC000255306418 1118594446 /nfs/dbraw/zinc/59/44/46/1118594446.db2.gz JZROLQJDPNXUGU-ALCCZGGFSA-N -2 3 274.703 3.647 20 30 CHEDHL O=C1c2ccc([O-])cc2C/C1=C/c1ccc([O-])c(Cl)c1 ZINC000588535106 1119134475 /nfs/dbraw/zinc/13/44/75/1119134475.db2.gz JPGAUYOWJJASJV-WZUFQYTHSA-N -2 3 286.714 3.574 20 30 CHEDHL CCCCCCCC[C@H](CC)OCCP(=O)([O-])[O-] ZINC001224603531 1135461734 /nfs/dbraw/zinc/46/17/34/1135461734.db2.gz ZOKFHUMJWTXDQH-ZDUSSCGKSA-N -2 3 280.345 3.710 20 30 CHEDHL O=C(/C=C/c1ccc([O-])c(F)c1)c1ccc([O-])c(Cl)c1 ZINC000119262939 1120196397 /nfs/dbraw/zinc/19/63/97/1120196397.db2.gz ZBUKDVLMTOHFMK-DAFODLJHSA-N -2 3 292.693 3.786 20 30 CHEDHL C=C[C@H](CCCCCC)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228973205 1131989985 /nfs/dbraw/zinc/98/99/85/1131989985.db2.gz HYKSGDHLRFVPPS-GFCCVEGCSA-N -2 3 295.335 3.910 20 30 CHEDHL CCCCCCC[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225023107 1135503199 /nfs/dbraw/zinc/50/31/99/1135503199.db2.gz UZVCLSOCGBIJRX-CYBMUJFWSA-N -2 3 280.345 3.710 20 30 CHEDHL C=C[C@@H](CCCCC)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228971810 1125340728 /nfs/dbraw/zinc/34/07/28/1125340728.db2.gz RXGXHRZDKRJQAK-NSHDSACASA-N -2 3 281.308 3.520 20 30 CHEDHL N#Cc1cc(Nc2ccc(Cl)cc2[O-])c([O-])cc1F ZINC001214411802 1118410753 /nfs/dbraw/zinc/41/07/53/1118410753.db2.gz OBGYMYJBTOKJIM-UHFFFAOYSA-N -2 3 278.670 3.506 20 30 CHEDHL N#Cc1cc(Nc2c(Cl)ccc([O-])c2F)c([O-])cc1F ZINC001214563800 1134552581 /nfs/dbraw/zinc/55/25/81/1134552581.db2.gz SZVCCCXTAWWXRQ-UHFFFAOYSA-N -2 3 296.660 3.645 20 30 CHEDHL