smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[N@H+](Cc2c(O)cc(F)cc2F)Cc2ccccc21 ZINC001140582805 1131807780 /nfs/dbraw/zinc/80/77/80/1131807780.db2.gz NDNAKBVBQIIBFX-LLVKDONJSA-N -1 2 289.325 3.790 20 10 CHCDLM CC1(C)C[N@H+](Cc2cccc(F)c2O)[C@@H]1c1ccncc1 ZINC000293980104 1127538613 /nfs/dbraw/zinc/53/86/13/1127538613.db2.gz REYPQJXMCWLVEO-MRXNPFEDSA-N -1 2 286.350 3.509 20 10 CHCDLM Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccccc1F ZINC001177117155 1121710426 /nfs/dbraw/zinc/71/04/26/1121710426.db2.gz JYYLGDVCWGHRAJ-UHFFFAOYSA-N -1 2 283.705 3.614 20 10 CHCDLM Oc1c(Cl)cc(F)cc1C[N@@H+]1CCCCC12CC2 ZINC001237807263 1131142165 /nfs/dbraw/zinc/14/21/65/1131142165.db2.gz ZWHHDPWMUGBMOS-UHFFFAOYSA-N -1 2 269.747 3.703 20 10 CHCDLM C[N@H+](Cc1cccs1)Cc1cc(F)cc(Cl)c1O ZINC001237815082 1131141882 /nfs/dbraw/zinc/14/18/82/1131141882.db2.gz VQMXVUGKDYWVTL-UHFFFAOYSA-N -1 2 285.771 3.878 20 10 CHCDLM Oc1c(Cl)cccc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000124513722 1121302453 /nfs/dbraw/zinc/30/24/53/1121302453.db2.gz KNWOWXNPUULPSH-JTQLQIEISA-N -1 2 293.716 3.820 20 10 CHCDLM CC[N@@H+](Cc1ccoc1)Cc1cccc(Cl)c1O ZINC000775675300 1122895005 /nfs/dbraw/zinc/89/50/05/1122895005.db2.gz WPFVSZHZNYENTL-UHFFFAOYSA-N -1 2 265.740 3.661 20 10 CHCDLM CC1(C)C[N@H+](Cc2c(O)ccc(Cl)c2F)CCS1 ZINC000792166528 1130433711 /nfs/dbraw/zinc/43/37/11/1130433711.db2.gz SKUCFMCTFMILRS-UHFFFAOYSA-N -1 2 289.803 3.512 20 10 CHCDLM CC[C@H]([NH2+]Cc1cc(C)no1)c1cccc(Cl)c1O ZINC000287544535 1127309785 /nfs/dbraw/zinc/30/97/85/1127309785.db2.gz FHNGOHDMMQNJEH-ZDUSSCGKSA-N -1 2 280.755 3.583 20 10 CHCDLM C[N@H+](Cc1ccccc1F)Cc1cc(F)c(Cl)cc1O ZINC001237935352 1131152713 /nfs/dbraw/zinc/15/27/13/1131152713.db2.gz CSJATKWBTKTHMF-UHFFFAOYSA-N -1 2 297.732 3.956 20 10 CHCDLM Cc1cccc(NCc2cc(Cl)cc(F)c2O)[nH+]1 ZINC001648856079 1118261332 /nfs/dbraw/zinc/26/13/32/1118261332.db2.gz SIDTWJPROMYUBN-UHFFFAOYSA-N -1 2 266.703 3.500 20 10 CHCDLM C[N@H+](Cc1cccc(O)c1)Cc1cc(Cl)cc(F)c1O ZINC000775633832 1122839320 /nfs/dbraw/zinc/83/93/20/1122839320.db2.gz LVJLIGSXOSCQPP-UHFFFAOYSA-N -1 2 295.741 3.522 20 10 CHCDLM Oc1c(Cl)cccc1C[NH2+]Cc1cc(F)ccc1F ZINC000124797999 1124813176 /nfs/dbraw/zinc/81/31/76/1124813176.db2.gz STEVZWGCLXMEIQ-UHFFFAOYSA-N -1 2 283.705 3.614 20 10 CHCDLM Oc1c(Cl)cc(F)cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC001237809195 1131143123 /nfs/dbraw/zinc/14/31/23/1131143123.db2.gz ZZEKCRRTHNFQTP-UHFFFAOYSA-N -1 2 293.716 3.806 20 10 CHCDLM C[N@H+](Cc1cccc(F)c1)Cc1cc(Cl)cc(F)c1O ZINC000775641747 1122850030 /nfs/dbraw/zinc/85/00/30/1122850030.db2.gz DMJQFOLPKBBLKG-UHFFFAOYSA-N -1 2 297.732 3.956 20 10 CHCDLM C[C@]1(F)CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415955 1127960567 /nfs/dbraw/zinc/96/05/67/1127960567.db2.gz PXGWKIDWWCVCLK-ZDUSSCGKSA-N -1 2 291.288 3.735 20 10 CHCDLM Cc1cccc(C[N@@H+](C)Cc2c(O)cc(F)cc2F)c1 ZINC001140582411 1131807688 /nfs/dbraw/zinc/80/76/88/1131807688.db2.gz ILQSGLKWFWBOLQ-UHFFFAOYSA-N -1 2 277.314 3.611 20 10 CHCDLM Oc1cc(F)c(Cl)cc1C[N@@H+]1CCc2ccsc2C1 ZINC000816512538 1131103353 /nfs/dbraw/zinc/10/33/53/1131103353.db2.gz MBURVKFOSSCANY-UHFFFAOYSA-N -1 2 297.782 3.805 20 10 CHCDLM Cc1ccc(C[N@@H+](C)Cc2c(O)cc(F)cc2F)cc1C ZINC001140585565 1131812546 /nfs/dbraw/zinc/81/25/46/1131812546.db2.gz ODSHTIKJEJUXCY-UHFFFAOYSA-N -1 2 291.341 3.919 20 10 CHCDLM C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1c(F)cncc1F ZINC000285614419 1127239005 /nfs/dbraw/zinc/23/90/05/1127239005.db2.gz JIFGBSIEOYBOCQ-DTWKUNHWSA-N -1 2 296.292 3.616 20 10 CHCDLM CC[N@H+](Cc1ccncc1)Cc1cc(F)cc(Cl)c1O ZINC001237809231 1131143026 /nfs/dbraw/zinc/14/30/26/1131143026.db2.gz FJGIOPCHJWVDSN-UHFFFAOYSA-N -1 2 294.757 3.602 20 10 CHCDLM Oc1ccc(Cl)cc1C[N@@H+]1Cc2ccc(F)cc2C1 ZINC001203664257 1133351548 /nfs/dbraw/zinc/35/15/48/1133351548.db2.gz UPFRCEHJWPSCHF-UHFFFAOYSA-N -1 2 277.726 3.701 20 10 CHCDLM C[N@H+](Cc1cccc(F)c1)Cc1cc(F)cc(Cl)c1O ZINC001237808660 1131142680 /nfs/dbraw/zinc/14/26/80/1131142680.db2.gz VRUSHTJAVUTMFE-UHFFFAOYSA-N -1 2 297.732 3.956 20 10 CHCDLM C[C@@]1(F)CCCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237934199 1131153511 /nfs/dbraw/zinc/15/35/11/1131153511.db2.gz IWXMRNGSVWRJOR-CQSZACIVSA-N -1 2 289.753 3.899 20 10 CHCDLM COc1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140466636 1131752699 /nfs/dbraw/zinc/75/26/99/1131752699.db2.gz IUODUQDFIPBFMK-UHFFFAOYSA-N -1 2 289.762 3.570 20 10 CHCDLM Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000271843426 328198192 /nfs/dbraw/zinc/19/81/92/328198192.db2.gz UHAJFIKNKHNQDO-CQSZACIVSA-N -1 2 276.767 3.711 20 10 CHCDLM Cc1ccc(C[N@H+](C)Cc2cc(Cl)c(F)cc2O)nc1 ZINC000816590378 1131108562 /nfs/dbraw/zinc/10/85/62/1131108562.db2.gz YNBYZCZHSXYLTR-UHFFFAOYSA-N -1 2 294.757 3.520 20 10 CHCDLM Cc1cc(O)c(C[N@@H+]2CCn3cccc3[C@@H]2C)cc1Cl ZINC001231870292 1132385854 /nfs/dbraw/zinc/38/58/54/1132385854.db2.gz SCOZFRWRQSLBME-LBPRGKRZSA-N -1 2 290.794 3.732 20 10 CHCDLM C[C@@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)CCC1(F)F ZINC001140582899 1131807204 /nfs/dbraw/zinc/80/72/04/1131807204.db2.gz OYLVIYSRRQDYBX-SECBINFHSA-N -1 2 291.288 3.538 20 10 CHCDLM C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1ccc(F)cc1O ZINC000285614417 1127238687 /nfs/dbraw/zinc/23/86/87/1127238687.db2.gz JIFGBSIEOYBOCQ-BDAKNGLRSA-N -1 2 296.292 3.616 20 10 CHCDLM Oc1c(Cl)cc(F)cc1C[N@@H+]1CCC12CCCC2 ZINC001237807496 1131142590 /nfs/dbraw/zinc/14/25/90/1131142590.db2.gz KKTNOHKISLEHJQ-UHFFFAOYSA-N -1 2 269.747 3.703 20 10 CHCDLM C[C@]1(F)CCCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237934198 1131153910 /nfs/dbraw/zinc/15/39/10/1131153910.db2.gz IWXMRNGSVWRJOR-AWEZNQCLSA-N -1 2 289.753 3.899 20 10 CHCDLM Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000124514019 1121303187 /nfs/dbraw/zinc/30/31/87/1121303187.db2.gz KNWOWXNPUULPSH-SNVBAGLBSA-N -1 2 293.716 3.820 20 10 CHCDLM Cc1cccc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2O)n1 ZINC000816515006 1131104175 /nfs/dbraw/zinc/10/41/75/1131104175.db2.gz MRDAACFPYKDCDC-UHFFFAOYSA-N -1 2 294.757 3.520 20 10 CHCDLM CC1(C)C[N@H+](Cc2c(O)cc(F)cc2F)CCC1(F)F ZINC001140582082 1131808073 /nfs/dbraw/zinc/80/80/73/1131808073.db2.gz BWNFSUWQNABAMG-UHFFFAOYSA-N -1 2 291.288 3.538 20 10 CHCDLM CC[C@@H]([NH2+]Cc1nccs1)c1cccc(Cl)c1O ZINC000287850740 263103002 /nfs/dbraw/zinc/10/30/02/263103002.db2.gz WTFDQVCHMLTSIJ-LLVKDONJSA-N -1 2 282.796 3.743 20 10 CHCDLM CC[N@H+](Cc1ccccn1)Cc1cc(F)cc(Cl)c1O ZINC001237798207 1131140454 /nfs/dbraw/zinc/14/04/54/1131140454.db2.gz AHJAYJDBARCLBZ-UHFFFAOYSA-N -1 2 294.757 3.602 20 10 CHCDLM C[C@H]1C[N@H+](Cc2c(O)cc(F)cc2F)Cc2ccccc21 ZINC001140582806 1131807565 /nfs/dbraw/zinc/80/75/65/1131807565.db2.gz NDNAKBVBQIIBFX-NSHDSACASA-N -1 2 289.325 3.790 20 10 CHCDLM C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)c1ccc(F)cc1O ZINC000285614425 1127238841 /nfs/dbraw/zinc/23/88/41/1127238841.db2.gz JIFGBSIEOYBOCQ-RKDXNWHRSA-N -1 2 296.292 3.616 20 10 CHCDLM Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000271843424 328198184 /nfs/dbraw/zinc/19/81/84/328198184.db2.gz UHAJFIKNKHNQDO-AWEZNQCLSA-N -1 2 276.767 3.711 20 10 CHCDLM C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1ccc(F)cc1O ZINC000285614422 1127238881 /nfs/dbraw/zinc/23/88/81/1127238881.db2.gz JIFGBSIEOYBOCQ-IUCAKERBSA-N -1 2 296.292 3.616 20 10 CHCDLM CC[C@H]([NH2+]Cc1nccs1)c1cccc(Cl)c1O ZINC000287850744 263102864 /nfs/dbraw/zinc/10/28/64/263102864.db2.gz WTFDQVCHMLTSIJ-NSHDSACASA-N -1 2 282.796 3.743 20 10 CHCDLM C[C@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)CCC1(F)F ZINC001140582900 1131807045 /nfs/dbraw/zinc/80/70/45/1131807045.db2.gz OYLVIYSRRQDYBX-VIFPVBQESA-N -1 2 291.288 3.538 20 10 CHCDLM C[C@@]1(F)CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415954 1127960364 /nfs/dbraw/zinc/96/03/64/1127960364.db2.gz PXGWKIDWWCVCLK-CYBMUJFWSA-N -1 2 291.288 3.735 20 10 CHCDLM C[N@H+](Cc1ccc(F)cc1)Cc1cc(F)cc(Cl)c1O ZINC001237808050 1131142568 /nfs/dbraw/zinc/14/25/68/1131142568.db2.gz PICZUMWGKWTRRO-UHFFFAOYSA-N -1 2 297.732 3.956 20 10 CHCDLM CC1(C)C[N@H+](Cc2cccc(F)c2O)[C@H]1c1ccncc1 ZINC000293980099 1127538511 /nfs/dbraw/zinc/53/85/11/1127538511.db2.gz REYPQJXMCWLVEO-INIZCTEOSA-N -1 2 286.350 3.509 20 10 CHCDLM C[C@H]1C[C@@H](CF)[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233415846 1127959880 /nfs/dbraw/zinc/95/98/80/1127959880.db2.gz KIHUQGGIRSISCP-ONGXEEELSA-N -1 2 291.288 3.591 20 10 CHCDLM