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([O-])[C@H]1C[C@@H]1C(=O)NNc1nc(C(F)(F)F)cs1 ZINC000833178757 601799632 /nfs/dbraw/zinc/79/96/32/601799632.db2.gz JFXLKCPAUKYYCM-IMJSIDKUSA-N -1 2 295.242 1.326 20 50 CDGDLM O=C([O-])[C@H]1C[C@@H]1C(=O)NN=c1[nH]c(C(F)(F)F)cs1 ZINC000833178757 601799634 /nfs/dbraw/zinc/79/96/34/601799634.db2.gz JFXLKCPAUKYYCM-IMJSIDKUSA-N -1 2 295.242 1.326 20 50 CDGDLM Cc1ccc(C(=O)NNC(=O)c2cccc(C(=O)[O-])c2)o1 ZINC000821064073 955487554 /nfs/dbraw/zinc/48/75/54/955487554.db2.gz OZBJUFNSMJIULB-UHFFFAOYSA-N -1 2 288.259 1.361 20 50 CDGDLM CC(C)(C)OC(=O)NNC(=O)c1ccc(C(=O)[O-])o1 ZINC001590232507 989606933 /nfs/dbraw/zinc/60/69/33/989606933.db2.gz GQPLHQCVWGIVHE-UHFFFAOYSA-N -1 2 270.241 1.147 20 50 CDGDLM Cc1cc(C(=O)[O-])cc(C(=O)NNC(=O)c2ccccn2)c1 ZINC001594288388 957796546 /nfs/dbraw/zinc/79/65/46/957796546.db2.gz NJJQPWSPZIMAQC-UHFFFAOYSA-N -1 2 299.286 1.163 20 50 CDGDLM O=C([O-])[C@@H]1C[C@H]1C(=O)NNc1nc(C(F)(F)F)cs1 ZINC000833178762 601799489 /nfs/dbraw/zinc/79/94/89/601799489.db2.gz JFXLKCPAUKYYCM-QWWZWVQMSA-N -1 2 295.242 1.326 20 50 CDGDLM O=C([O-])[C@@H]1C[C@H]1C(=O)NN=c1[nH]c(C(F)(F)F)cs1 ZINC000833178762 601799491 /nfs/dbraw/zinc/79/94/91/601799491.db2.gz JFXLKCPAUKYYCM-QWWZWVQMSA-N -1 2 295.242 1.326 20 50 CDGDLM CC(C)(C)OC(=O)NNC(=O)c1csc(C(=O)[O-])n1 ZINC001590233755 989613133 /nfs/dbraw/zinc/61/31/33/989613133.db2.gz ZFOPUNHYMLOLOO-UHFFFAOYSA-N -1 2 287.297 1.011 20 50 CDGDLM Cc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000832912174 601755489 /nfs/dbraw/zinc/75/54/89/601755489.db2.gz WXTBMVUXCFDHOJ-VHSXEESVSA-N -1 2 294.307 1.240 20 50 CDGDLM Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000832912170 601755445 /nfs/dbraw/zinc/75/54/45/601755445.db2.gz WXTBMVUXCFDHOJ-NXEZZACHSA-N -1 2 294.307 1.240 20 50 CDGDLM Cc1ccc(C(=O)NNC(=O)[C@H](C(=O)[O-])C(C)(C)C)o1 ZINC001594346635 970211666 /nfs/dbraw/zinc/21/16/66/970211666.db2.gz AJNPKYPWJGMOBA-SECBINFHSA-N -1 2 282.296 1.096 20 50 CDGDLM CC(C)(C)CC(=O)NNC(=O)c1ccc(C(=O)[O-])o1 ZINC001589740893 988012250 /nfs/dbraw/zinc/01/22/50/988012250.db2.gz OYUHMIFUWIRVRW-UHFFFAOYSA-N -1 2 268.269 1.175 20 50 CDGDLM Cc1[nH]c(C(=O)NNc2ncc(F)cn2)c(C)c1C(=O)[O-] ZINC000833739997 604925744 /nfs/dbraw/zinc/92/57/44/604925744.db2.gz LJZXZXRPRYDQMH-UHFFFAOYSA-N -1 2 293.258 1.016 20 50 CDGDLM O=C([O-])CCC(=O)NNc1nc(C(F)(F)F)cs1 ZINC001606101664 973278773 /nfs/dbraw/zinc/27/87/73/973278773.db2.gz JMWVEGJGZOUGRK-UHFFFAOYSA-N -1 2 283.231 1.470 20 50 CDGDLM O=C([O-])CCC(=O)NN=c1[nH]c(C(F)(F)F)cs1 ZINC001606101664 973278780 /nfs/dbraw/zinc/27/87/80/973278780.db2.gz JMWVEGJGZOUGRK-UHFFFAOYSA-N -1 2 283.231 1.470 20 50 CDGDLM CN(NC(=O)c1ccc(C(=O)[O-])cn1)C(=O)OC(C)(C)C ZINC001593766708 954523282 /nfs/dbraw/zinc/52/32/82/954523282.db2.gz YFTRQJPQHXOQLJ-UHFFFAOYSA-N -1 2 295.295 1.292 20 50 CDGDLM Cc1ccc(C(=O)NNC(=O)NCCC(C)(C)C(=O)[O-])o1 ZINC000818622392 969188069 /nfs/dbraw/zinc/18/80/69/969188069.db2.gz ADCRLZGKIBBUFB-UHFFFAOYSA-N -1 2 297.311 1.033 20 50 CDGDLM Cc1ccc(C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)[O-])o1 ZINC000830225718 605775087 /nfs/dbraw/zinc/77/50/87/605775087.db2.gz VFHANAFHPKJOTM-VIFPVBQESA-N -1 2 297.311 1.031 20 50 CDGDLM CC(C)CCC(=O)NNC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001591213706 992066068 /nfs/dbraw/zinc/06/60/68/992066068.db2.gz AIFBCMZGYHVBII-YVMONPNESA-N -1 2 294.307 1.575 20 50 CDGDLM Cc1ccc(C(=O)NNC(=O)NCCCCCC(=O)[O-])o1 ZINC000818874933 955424718 /nfs/dbraw/zinc/42/47/18/955424718.db2.gz MOEKUKNHHYXXDB-UHFFFAOYSA-N -1 2 297.311 1.177 20 50 CDGDLM Cc1cccc(C(=O)NNC(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001607839260 970396649 /nfs/dbraw/zinc/39/66/49/970396649.db2.gz BTGHBVQBPZIMSI-UHFFFAOYSA-N -1 2 299.286 1.163 20 50 CDGDLM CC(C)(C)OC(=O)NNC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001590233768 989612689 /nfs/dbraw/zinc/61/26/89/989612689.db2.gz ZJKCOKDNMVHMRG-FNORWQNLSA-N -1 2 296.279 1.547 20 50 CDGDLM Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC000832912175 601755560 /nfs/dbraw/zinc/75/55/60/601755560.db2.gz WXTBMVUXCFDHOJ-ZJUUUORDSA-N -1 2 294.307 1.240 20 50 CDGDLM C[C@@H](C(=O)[O-])C(=O)NN=c1[nH]c(C(F)(F)F)cs1 ZINC001609701095 970469489 /nfs/dbraw/zinc/46/94/89/970469489.db2.gz OJGMHFQOJUYXKX-GSVOUGTGSA-N -1 2 283.231 1.326 20 50 CDGDLM O=C([O-])[C@@H]1C[C@@H]1C(=O)NNc1nc(C(F)(F)F)cs1 ZINC000833178759 601799448 /nfs/dbraw/zinc/79/94/48/601799448.db2.gz JFXLKCPAUKYYCM-IUYQGCFVSA-N -1 2 295.242 1.326 20 50 CDGDLM O=C([O-])[C@@H]1C[C@@H]1C(=O)NN=c1[nH]c(C(F)(F)F)cs1 ZINC000833178759 601799450 /nfs/dbraw/zinc/79/94/50/601799450.db2.gz JFXLKCPAUKYYCM-IUYQGCFVSA-N -1 2 295.242 1.326 20 50 CDGDLM CC(C)CCC(=O)NNC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001591213704 992065948 /nfs/dbraw/zinc/06/59/48/992065948.db2.gz AIFBCMZGYHVBII-VMPITWQZSA-N -1 2 294.307 1.575 20 50 CDGDLM CC[C@H](NNC(=O)C(F)(F)Oc1ccccc1)C(=O)[O-] ZINC001595306151 980455015 /nfs/dbraw/zinc/45/50/15/980455015.db2.gz VDKPULXNMVJNLC-VIFPVBQESA-N -1 2 288.250 1.142 20 50 CDGDLM Cc1ccc(C(=O)NNC(=O)[C@@H](CC(C)C)NC(=O)[O-])o1 ZINC000830225717 603833797 /nfs/dbraw/zinc/83/37/97/603833797.db2.gz VFHANAFHPKJOTM-SECBINFHSA-N -1 2 297.311 1.031 20 50 CDGDLM C[C@H](C(=O)[O-])C(=O)NN=c1[nH]c(C(F)(F)F)cs1 ZINC001609701096 970469511 /nfs/dbraw/zinc/46/95/11/970469511.db2.gz OJGMHFQOJUYXKX-VKHMYHEASA-N -1 2 283.231 1.326 20 50 CDGDLM O=C([O-])[C@H]1C[C@H]1C(=O)NNc1nc(C(F)(F)F)cs1 ZINC000833178750 601799470 /nfs/dbraw/zinc/79/94/70/601799470.db2.gz JFXLKCPAUKYYCM-DMTCNVIQSA-N -1 2 295.242 1.326 20 50 CDGDLM O=C([O-])[C@H]1C[C@H]1C(=O)NN=c1[nH]c(C(F)(F)F)cs1 ZINC000833178750 601799472 /nfs/dbraw/zinc/79/94/72/601799472.db2.gz JFXLKCPAUKYYCM-DMTCNVIQSA-N -1 2 295.242 1.326 20 50 CDGDLM Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)[O-])cc2)o1 ZINC000821063858 955488329 /nfs/dbraw/zinc/48/83/29/955488329.db2.gz FZDUETTVDSGPHD-UHFFFAOYSA-N -1 2 288.259 1.361 20 50 CDGDLM Cc1ccc(C(=O)NNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)o1 ZINC001594346641 970211836 /nfs/dbraw/zinc/21/18/36/970211836.db2.gz AJNPKYPWJGMOBA-VIFPVBQESA-N -1 2 282.296 1.096 20 50 CDGDLM CC(C)(C)OC(=O)NNC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001590233767 989612771 /nfs/dbraw/zinc/61/27/71/989612771.db2.gz ZJKCOKDNMVHMRG-ALCCZGGFSA-N -1 2 296.279 1.547 20 50 CDGDLM Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)[O-])s2)o1 ZINC000832911698 601680506 /nfs/dbraw/zinc/68/05/06/601680506.db2.gz KKYFIJOSZWRBAY-UHFFFAOYSA-N -1 2 294.288 1.423 20 50 CDGDLM CC[C@@H](NNC(=O)C(F)(F)Oc1ccccc1)C(=O)[O-] ZINC001595306150 980455258 /nfs/dbraw/zinc/45/52/58/980455258.db2.gz VDKPULXNMVJNLC-SECBINFHSA-N -1 2 288.250 1.142 20 50 CDGDLM Cc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC000832912172 601755426 /nfs/dbraw/zinc/75/54/26/601755426.db2.gz WXTBMVUXCFDHOJ-UWVGGRQHSA-N -1 2 294.307 1.240 20 50 CDGDLM