smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1CCC[C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)[C@H]1c1cccs1 ZINC000248615632 568668522 /nfs/dbraw/zinc/66/85/22/568668522.db2.gz KDGORNAXBFMELZ-CSKOPFHVSA-N 2 1 374.516 5.089 20 0 FKADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)[C@H]1c1cccs1 ZINC000248615632 568668518 /nfs/dbraw/zinc/66/85/18/568668518.db2.gz KDGORNAXBFMELZ-CSKOPFHVSA-N 2 1 374.516 5.089 20 0 FKADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)[C@H]1c1cccs1 ZINC000248615641 568668788 /nfs/dbraw/zinc/66/87/88/568668788.db2.gz KDGORNAXBFMELZ-OQGULXLBSA-N 2 1 374.516 5.089 20 0 FKADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)[C@H]1c1cccs1 ZINC000248615641 568668785 /nfs/dbraw/zinc/66/87/85/568668785.db2.gz KDGORNAXBFMELZ-OQGULXLBSA-N 2 1 374.516 5.089 20 0 FKADMP Cc1ccsc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000548993235 567960358 /nfs/dbraw/zinc/96/03/58/567960358.db2.gz HMJKQWFRNSZIDZ-VZKPYBMVSA-N 2 1 374.981 5.414 20 0 FKADMP Cc1ccsc1C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000548993236 567960365 /nfs/dbraw/zinc/96/03/65/567960365.db2.gz HMJKQWFRNSZIDZ-ZJVRTDGDSA-N 2 1 374.981 5.414 20 0 FKADMP CCc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000549261931 567998436 /nfs/dbraw/zinc/99/84/36/567998436.db2.gz QNEPUSNVRHLSDU-DTFZGZDNSA-N 2 1 372.940 5.199 20 0 FKADMP CCc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000549261939 567998397 /nfs/dbraw/zinc/99/83/97/567998397.db2.gz QNEPUSNVRHLSDU-SQWHNCPASA-N 2 1 372.940 5.199 20 0 FKADMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1c(F)cccc1F)C1CCCCC1 ZINC000550577599 568074657 /nfs/dbraw/zinc/07/46/57/568074657.db2.gz JLHPNSYCTVZVDB-UHFFFAOYSA-N 2 1 358.476 5.019 20 0 FKADMP C[N@H+](Cc1ccccc1C[NH2+]Cc1c(F)cccc1F)C1CCCCC1 ZINC000550577599 568074656 /nfs/dbraw/zinc/07/46/56/568074656.db2.gz JLHPNSYCTVZVDB-UHFFFAOYSA-N 2 1 358.476 5.019 20 0 FKADMP C[N@@H+](Cc1ccccc1CNCc1c(F)cccc1F)C1CCCCC1 ZINC000550577599 568074655 /nfs/dbraw/zinc/07/46/55/568074655.db2.gz JLHPNSYCTVZVDB-UHFFFAOYSA-N 2 1 358.476 5.019 20 0 FKADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[C@@H]1c1ccccc1 ZINC000550796772 568106812 /nfs/dbraw/zinc/10/68/12/568106812.db2.gz AMEBZOTYOQGLIZ-JKLQHZFJSA-N 2 1 354.925 5.011 20 0 FKADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[C@@H]1c1ccccc1 ZINC000550796772 568106811 /nfs/dbraw/zinc/10/68/11/568106811.db2.gz AMEBZOTYOQGLIZ-JKLQHZFJSA-N 2 1 354.925 5.011 20 0 FKADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[C@H]1c1ccccc1 ZINC000550796773 568106806 /nfs/dbraw/zinc/10/68/06/568106806.db2.gz AMEBZOTYOQGLIZ-NMIHRBCNSA-N 2 1 354.925 5.011 20 0 FKADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[C@H]1c1ccccc1 ZINC000550796773 568106805 /nfs/dbraw/zinc/10/68/05/568106805.db2.gz AMEBZOTYOQGLIZ-NMIHRBCNSA-N 2 1 354.925 5.011 20 0 FKADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[C@H]1c1ccccc1 ZINC000550796774 568106839 /nfs/dbraw/zinc/10/68/39/568106839.db2.gz AMEBZOTYOQGLIZ-QESAQDPVSA-N 2 1 354.925 5.011 20 0 FKADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[C@H]1c1ccccc1 ZINC000550796774 568106838 /nfs/dbraw/zinc/10/68/38/568106838.db2.gz AMEBZOTYOQGLIZ-QESAQDPVSA-N 2 1 354.925 5.011 20 0 FKADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[C@@H]1c1ccccc1 ZINC000550796775 568106836 /nfs/dbraw/zinc/10/68/36/568106836.db2.gz AMEBZOTYOQGLIZ-ZHHKINOHSA-N 2 1 354.925 5.011 20 0 FKADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[C@@H]1c1ccccc1 ZINC000550796775 568106835 /nfs/dbraw/zinc/10/68/35/568106835.db2.gz AMEBZOTYOQGLIZ-ZHHKINOHSA-N 2 1 354.925 5.011 20 0 FKADMP CC(C)Oc1ccccc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000550846511 568109411 /nfs/dbraw/zinc/10/94/11/568109411.db2.gz GOGDEOBISZOHTI-FQEVSTJZSA-N 2 1 366.549 5.138 20 0 FKADMP CC(C)Oc1ccccc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000550846514 568109452 /nfs/dbraw/zinc/10/94/52/568109452.db2.gz GOGDEOBISZOHTI-HXUWFJFHSA-N 2 1 366.549 5.138 20 0 FKADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C(C)(F)F)cc2)cc1 ZINC000550858255 568115594 /nfs/dbraw/zinc/11/55/94/568115594.db2.gz PAUNJMDPFCGCLH-HNNXBMFYSA-N 2 1 355.432 5.143 20 0 FKADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C(C)(F)F)cc2)cc1 ZINC000550858256 568115609 /nfs/dbraw/zinc/11/56/09/568115609.db2.gz PAUNJMDPFCGCLH-OAHLLOKOSA-N 2 1 355.432 5.143 20 0 FKADMP CCC(CC)c1cc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)on1 ZINC000550911150 568119517 /nfs/dbraw/zinc/11/95/17/568119517.db2.gz YCODFDVIDOMTJQ-UHFFFAOYSA-N 2 1 369.553 5.111 20 0 FKADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc(-c2cccnc2)cc1 ZINC000551063487 568139041 /nfs/dbraw/zinc/13/90/41/568139041.db2.gz RBRPGLPBDKDRPV-LQGLAIQGSA-N 2 1 371.528 5.235 20 0 FKADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc(-c2cccnc2)cc1 ZINC000551063487 568139039 /nfs/dbraw/zinc/13/90/39/568139039.db2.gz RBRPGLPBDKDRPV-LQGLAIQGSA-N 2 1 371.528 5.235 20 0 FKADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc(-c2cccnc2)cc1 ZINC000551063488 568139089 /nfs/dbraw/zinc/13/90/89/568139089.db2.gz RBRPGLPBDKDRPV-OWAUWMPXSA-N 2 1 371.528 5.235 20 0 FKADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc(-c2cccnc2)cc1 ZINC000551063488 568139087 /nfs/dbraw/zinc/13/90/87/568139087.db2.gz RBRPGLPBDKDRPV-OWAUWMPXSA-N 2 1 371.528 5.235 20 0 FKADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc(-c2cccnc2)cc1 ZINC000551063489 568139020 /nfs/dbraw/zinc/13/90/20/568139020.db2.gz RBRPGLPBDKDRPV-PNTFMKQHSA-N 2 1 371.528 5.235 20 0 FKADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc(-c2cccnc2)cc1 ZINC000551063489 568139019 /nfs/dbraw/zinc/13/90/19/568139019.db2.gz RBRPGLPBDKDRPV-PNTFMKQHSA-N 2 1 371.528 5.235 20 0 FKADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc(-c2cccnc2)cc1 ZINC000551063490 568139033 /nfs/dbraw/zinc/13/90/33/568139033.db2.gz RBRPGLPBDKDRPV-QTLGCAHFSA-N 2 1 371.528 5.235 20 0 FKADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc(-c2cccnc2)cc1 ZINC000551063490 568139032 /nfs/dbraw/zinc/13/90/32/568139032.db2.gz RBRPGLPBDKDRPV-QTLGCAHFSA-N 2 1 371.528 5.235 20 0 FKADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C[C@@H]1c1ccccc1 ZINC000551310366 568203975 /nfs/dbraw/zinc/20/39/75/568203975.db2.gz CHFYJFMPDZBDMJ-JPAWQOSXSA-N 2 1 354.925 5.011 20 0 FKADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C[C@@H]1c1ccccc1 ZINC000551310366 568203974 /nfs/dbraw/zinc/20/39/74/568203974.db2.gz CHFYJFMPDZBDMJ-JPAWQOSXSA-N 2 1 354.925 5.011 20 0 FKADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C[C@H]1c1ccccc1 ZINC000551310367 568203899 /nfs/dbraw/zinc/20/38/99/568203899.db2.gz CHFYJFMPDZBDMJ-OZIGNCPNSA-N 2 1 354.925 5.011 20 0 FKADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C[C@H]1c1ccccc1 ZINC000551310367 568203898 /nfs/dbraw/zinc/20/38/98/568203898.db2.gz CHFYJFMPDZBDMJ-OZIGNCPNSA-N 2 1 354.925 5.011 20 0 FKADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C[C@H]1c1ccccc1 ZINC000551310368 568203960 /nfs/dbraw/zinc/20/39/60/568203960.db2.gz CHFYJFMPDZBDMJ-YXTQBTIXSA-N 2 1 354.925 5.011 20 0 FKADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C[C@H]1c1ccccc1 ZINC000551310368 568203959 /nfs/dbraw/zinc/20/39/59/568203959.db2.gz CHFYJFMPDZBDMJ-YXTQBTIXSA-N 2 1 354.925 5.011 20 0 FKADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C[C@@H]1c1ccccc1 ZINC000551310369 568203910 /nfs/dbraw/zinc/20/39/10/568203910.db2.gz CHFYJFMPDZBDMJ-ZVVDCOBXSA-N 2 1 354.925 5.011 20 0 FKADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C[C@@H]1c1ccccc1 ZINC000551310369 568203909 /nfs/dbraw/zinc/20/39/09/568203909.db2.gz CHFYJFMPDZBDMJ-ZVVDCOBXSA-N 2 1 354.925 5.011 20 0 FKADMP CC(C)Oc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1Cl ZINC000551533708 568231626 /nfs/dbraw/zinc/23/16/26/568231626.db2.gz NFUMNWKFADHMGK-HNNXBMFYSA-N 2 1 352.950 5.041 20 0 FKADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1Cl ZINC000551533709 568231591 /nfs/dbraw/zinc/23/15/91/568231591.db2.gz NFUMNWKFADHMGK-OAHLLOKOSA-N 2 1 352.950 5.041 20 0 FKADMP Cc1cccnc1[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(C)C ZINC000552048022 568254336 /nfs/dbraw/zinc/25/43/36/568254336.db2.gz DLZKCJAPZNTYHM-VNXZQDSDSA-N 2 1 365.565 5.120 20 0 FKADMP Cc1cccnc1[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(C)C ZINC000552048023 568254371 /nfs/dbraw/zinc/25/43/71/568254371.db2.gz DLZKCJAPZNTYHM-XPPIMPSXSA-N 2 1 365.565 5.120 20 0 FKADMP CC(C)CC[C@@H](NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccoc1 ZINC000552276628 568266642 /nfs/dbraw/zinc/26/66/42/568266642.db2.gz FBEQXAGRKYOUFT-CTWPCTMYSA-N 2 1 372.475 5.152 20 0 FKADMP CCC(CC)[C@@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000552282301 568267270 /nfs/dbraw/zinc/26/72/70/568267270.db2.gz ABHBLBQOOQYPLL-KTKPDYKZSA-N 2 1 372.597 5.003 20 0 FKADMP CCC(CC)[C@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000552282302 568267330 /nfs/dbraw/zinc/26/73/30/568267330.db2.gz ABHBLBQOOQYPLL-UEUFPXFLSA-N 2 1 372.597 5.003 20 0 FKADMP CCC(CC)[C@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000552282303 568267306 /nfs/dbraw/zinc/26/73/06/568267306.db2.gz ABHBLBQOOQYPLL-UGAUIIJPSA-N 2 1 372.597 5.003 20 0 FKADMP CCC(CC)[C@@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000552282304 568267281 /nfs/dbraw/zinc/26/72/81/568267281.db2.gz ABHBLBQOOQYPLL-WDTLCOQZSA-N 2 1 372.597 5.003 20 0 FKADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cc3cccc(F)c3o2)cc1 ZINC000554864854 568410746 /nfs/dbraw/zinc/41/07/46/568410746.db2.gz HNNOUTWQOCFRNE-HUUCEWRRSA-N 2 1 363.436 5.478 20 0 FKADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cc3cccc(F)c3o2)cc1 ZINC000554864855 568410770 /nfs/dbraw/zinc/41/07/70/568410770.db2.gz HNNOUTWQOCFRNE-LSDHHAIUSA-N 2 1 363.436 5.478 20 0 FKADMP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC000555232585 568412162 /nfs/dbraw/zinc/41/21/62/568412162.db2.gz IMIBPQAZLCOLOE-FQCOAQKJSA-N 2 1 374.981 5.666 20 0 FKADMP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC000555232586 568412215 /nfs/dbraw/zinc/41/22/15/568412215.db2.gz IMIBPQAZLCOLOE-MXPIYFSTSA-N 2 1 374.981 5.666 20 0 FKADMP C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC000555232587 568412195 /nfs/dbraw/zinc/41/21/95/568412195.db2.gz IMIBPQAZLCOLOE-QIOKEVSGSA-N 2 1 374.981 5.666 20 0 FKADMP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC000555232588 568412151 /nfs/dbraw/zinc/41/21/51/568412151.db2.gz IMIBPQAZLCOLOE-VLCCKYJDSA-N 2 1 374.981 5.666 20 0 FKADMP Cc1ccc([C@@H](C)[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000555232726 568412209 /nfs/dbraw/zinc/41/22/09/568412209.db2.gz LHLUSCGBUXEMPE-DSSYBXBYSA-N 2 1 372.940 5.506 20 0 FKADMP Cc1ccc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000555232727 568412239 /nfs/dbraw/zinc/41/22/39/568412239.db2.gz LHLUSCGBUXEMPE-GEKQFBOUSA-N 2 1 372.940 5.506 20 0 FKADMP Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000555232728 568412119 /nfs/dbraw/zinc/41/21/19/568412119.db2.gz LHLUSCGBUXEMPE-NIJYUZCSSA-N 2 1 372.940 5.506 20 0 FKADMP Cc1ccc([C@H](C)[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000555232729 568412115 /nfs/dbraw/zinc/41/21/15/568412115.db2.gz LHLUSCGBUXEMPE-RGCNIUKASA-N 2 1 372.940 5.506 20 0 FKADMP Cc1sccc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000555586630 568421074 /nfs/dbraw/zinc/42/10/74/568421074.db2.gz ZETHKKZQEQJOOR-KRIYCRJKSA-N 2 1 374.981 5.414 20 0 FKADMP Cc1sccc1C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000555586631 568421070 /nfs/dbraw/zinc/42/10/70/568421070.db2.gz ZETHKKZQEQJOOR-VCYXJBJXSA-N 2 1 374.981 5.414 20 0 FKADMP C[N@H+]1CC[C@@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C[C@H]1c1ccccc1 ZINC000556177574 568425780 /nfs/dbraw/zinc/42/57/80/568425780.db2.gz BWHBTRWTBGEIJU-AEAFLJPSSA-N 2 1 372.915 5.092 20 0 FKADMP C[N@@H+]1CC[C@@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C[C@H]1c1ccccc1 ZINC000556177574 568425779 /nfs/dbraw/zinc/42/57/79/568425779.db2.gz BWHBTRWTBGEIJU-AEAFLJPSSA-N 2 1 372.915 5.092 20 0 FKADMP C[N@H+]1CC[C@@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C[C@@H]1c1ccccc1 ZINC000556177575 568425804 /nfs/dbraw/zinc/42/58/04/568425804.db2.gz BWHBTRWTBGEIJU-BJTVZRGDSA-N 2 1 372.915 5.092 20 0 FKADMP C[N@@H+]1CC[C@@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C[C@@H]1c1ccccc1 ZINC000556177575 568425803 /nfs/dbraw/zinc/42/58/03/568425803.db2.gz BWHBTRWTBGEIJU-BJTVZRGDSA-N 2 1 372.915 5.092 20 0 FKADMP C[N@H+]1CC[C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C[C@H]1c1ccccc1 ZINC000556177576 568425840 /nfs/dbraw/zinc/42/58/40/568425840.db2.gz BWHBTRWTBGEIJU-NUTQKKSESA-N 2 1 372.915 5.092 20 0 FKADMP C[N@@H+]1CC[C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C[C@H]1c1ccccc1 ZINC000556177576 568425839 /nfs/dbraw/zinc/42/58/39/568425839.db2.gz BWHBTRWTBGEIJU-NUTQKKSESA-N 2 1 372.915 5.092 20 0 FKADMP C[N@H+]1CC[C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C[C@@H]1c1ccccc1 ZINC000556177577 568426022 /nfs/dbraw/zinc/42/60/22/568426022.db2.gz BWHBTRWTBGEIJU-XZFTYKLISA-N 2 1 372.915 5.092 20 0 FKADMP C[N@@H+]1CC[C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C[C@@H]1c1ccccc1 ZINC000556177577 568426020 /nfs/dbraw/zinc/42/60/20/568426020.db2.gz BWHBTRWTBGEIJU-XZFTYKLISA-N 2 1 372.915 5.092 20 0 FKADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)C[C@H]1c1ccccc1 ZINC000556179674 568426563 /nfs/dbraw/zinc/42/65/63/568426563.db2.gz VSTPISYHMRDCLW-QESAQDPVSA-N 2 1 354.925 5.011 20 0 FKADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)C[C@H]1c1ccccc1 ZINC000556179674 568426562 /nfs/dbraw/zinc/42/65/62/568426562.db2.gz VSTPISYHMRDCLW-QESAQDPVSA-N 2 1 354.925 5.011 20 0 FKADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)C[C@@H]1c1ccccc1 ZINC000556179675 568426509 /nfs/dbraw/zinc/42/65/09/568426509.db2.gz VSTPISYHMRDCLW-ZHHKINOHSA-N 2 1 354.925 5.011 20 0 FKADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)C[C@@H]1c1ccccc1 ZINC000556179675 568426508 /nfs/dbraw/zinc/42/65/08/568426508.db2.gz VSTPISYHMRDCLW-ZHHKINOHSA-N 2 1 354.925 5.011 20 0 FKADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000557442133 568451739 /nfs/dbraw/zinc/45/17/39/568451739.db2.gz PFTRJMGIBMQAPI-HNNXBMFYSA-N 2 1 351.881 5.174 20 0 FKADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000557442137 568451761 /nfs/dbraw/zinc/45/17/61/568451761.db2.gz PFTRJMGIBMQAPI-OAHLLOKOSA-N 2 1 351.881 5.174 20 0 FKADMP C[NH+](Cc1cccc(SCc2ccccc2)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000558109606 568471831 /nfs/dbraw/zinc/47/18/31/568471831.db2.gz BFCSZXKZUHAOLA-CBQGHPETSA-N 2 1 366.574 5.036 20 0 FKADMP C[NH+](Cc1cccc(SCc2ccccc2)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000558109606 568471830 /nfs/dbraw/zinc/47/18/30/568471830.db2.gz BFCSZXKZUHAOLA-CBQGHPETSA-N 2 1 366.574 5.036 20 0 FKADMP C[N@@H+](Cc1cccc(SCc2ccccc2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000558109606 568471829 /nfs/dbraw/zinc/47/18/29/568471829.db2.gz BFCSZXKZUHAOLA-CBQGHPETSA-N 2 1 366.574 5.036 20 0 FKADMP Cc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000558789677 568477389 /nfs/dbraw/zinc/47/73/89/568477389.db2.gz KRXLLAVPWPGIDU-VZKPYBMVSA-N 2 1 374.981 5.414 20 0 FKADMP Cc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000558789678 568477360 /nfs/dbraw/zinc/47/73/60/568477360.db2.gz KRXLLAVPWPGIDU-ZJVRTDGDSA-N 2 1 374.981 5.414 20 0 FKADMP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000558871855 568476811 /nfs/dbraw/zinc/47/68/11/568476811.db2.gz XPAXZHZANAASTK-BFTUFISMSA-N 2 1 368.952 5.605 20 0 FKADMP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000558871859 568476769 /nfs/dbraw/zinc/47/67/69/568476769.db2.gz XPAXZHZANAASTK-PNJPCPQFSA-N 2 1 368.952 5.605 20 0 FKADMP C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000558871861 568476763 /nfs/dbraw/zinc/47/67/63/568476763.db2.gz XPAXZHZANAASTK-SQCUUSGMSA-N 2 1 368.952 5.605 20 0 FKADMP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000558871862 568476756 /nfs/dbraw/zinc/47/67/56/568476756.db2.gz XPAXZHZANAASTK-ZCYFJUBSSA-N 2 1 368.952 5.605 20 0 FKADMP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccoc1 ZINC000558968277 568488940 /nfs/dbraw/zinc/48/89/40/568488940.db2.gz LOALARXODQVYML-RHVDRVBNSA-N 2 1 358.913 5.198 20 0 FKADMP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccoc1 ZINC000558968278 568489050 /nfs/dbraw/zinc/48/90/50/568489050.db2.gz LOALARXODQVYML-RPYAVSSWSA-N 2 1 358.913 5.198 20 0 FKADMP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccoc1 ZINC000558968279 568488980 /nfs/dbraw/zinc/48/89/80/568488980.db2.gz LOALARXODQVYML-YEUANBQQSA-N 2 1 358.913 5.198 20 0 FKADMP C[N@H+]1CC[C@H](N[C@@H](CC(F)(F)F)c2ccccc2)C[C@H]1c1ccccc1 ZINC000559741094 568494947 /nfs/dbraw/zinc/49/49/47/568494947.db2.gz OTWCXQLEYQKIIN-UFYCRDLUSA-N 2 1 362.439 5.105 20 0 FKADMP C[N@H+]1CC[C@H](N[C@H](CC(F)(F)F)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000559741096 568494994 /nfs/dbraw/zinc/49/49/94/568494994.db2.gz OTWCXQLEYQKIIN-XUVXKRRUSA-N 2 1 362.439 5.105 20 0 FKADMP C[N@H+]1CC[C@H](N[C@H](CC(F)(F)F)c2ccccc2)C[C@H]1c1ccccc1 ZINC000559741098 568494981 /nfs/dbraw/zinc/49/49/81/568494981.db2.gz OTWCXQLEYQKIIN-ZCNNSNEGSA-N 2 1 362.439 5.105 20 0 FKADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3sc(Cl)cc32)C[C@@H]1c1ccccc1 ZINC000559860049 568499191 /nfs/dbraw/zinc/49/91/91/568499191.db2.gz YDNIKQCEZZIZJQ-CGTJXYLNSA-N 2 1 360.954 5.204 20 0 FKADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3sc(Cl)cc32)C[C@@H]1c1ccccc1 ZINC000559860049 568499190 /nfs/dbraw/zinc/49/91/90/568499190.db2.gz YDNIKQCEZZIZJQ-CGTJXYLNSA-N 2 1 360.954 5.204 20 0 FKADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3sc(Cl)cc32)C[C@H]1c1ccccc1 ZINC000559860050 568499210 /nfs/dbraw/zinc/49/92/10/568499210.db2.gz YDNIKQCEZZIZJQ-JQHSSLGASA-N 2 1 360.954 5.204 20 0 FKADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3sc(Cl)cc32)C[C@H]1c1ccccc1 ZINC000559860050 568499209 /nfs/dbraw/zinc/49/92/09/568499209.db2.gz YDNIKQCEZZIZJQ-JQHSSLGASA-N 2 1 360.954 5.204 20 0 FKADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3sc(Cl)cc32)C[C@@H]1c1ccccc1 ZINC000559860200 568499121 /nfs/dbraw/zinc/49/91/21/568499121.db2.gz YDNIKQCEZZIZJQ-RYQLBKOJSA-N 2 1 360.954 5.204 20 0 FKADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3sc(Cl)cc32)C[C@@H]1c1ccccc1 ZINC000559860200 568499120 /nfs/dbraw/zinc/49/91/20/568499120.db2.gz YDNIKQCEZZIZJQ-RYQLBKOJSA-N 2 1 360.954 5.204 20 0 FKADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3sc(Cl)cc32)C[C@H]1c1ccccc1 ZINC000559860203 568499112 /nfs/dbraw/zinc/49/91/12/568499112.db2.gz YDNIKQCEZZIZJQ-SZMVWBNQSA-N 2 1 360.954 5.204 20 0 FKADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3sc(Cl)cc32)C[C@H]1c1ccccc1 ZINC000559860203 568499111 /nfs/dbraw/zinc/49/91/11/568499111.db2.gz YDNIKQCEZZIZJQ-SZMVWBNQSA-N 2 1 360.954 5.204 20 0 FKADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c(Cl)c1 ZINC000559872042 568500798 /nfs/dbraw/zinc/50/07/98/568500798.db2.gz YERUGPUFOSZAMP-KRWDZBQOSA-N 2 1 372.940 5.013 20 0 FKADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c(Cl)c1 ZINC000559872146 568500751 /nfs/dbraw/zinc/50/07/51/568500751.db2.gz YERUGPUFOSZAMP-QGZVFWFLSA-N 2 1 372.940 5.013 20 0 FKADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC2CC(OC(C)(C)C)C2)CC1 ZINC000559899795 568504198 /nfs/dbraw/zinc/50/41/98/568504198.db2.gz MIZDINNFDOYGAS-UHFFFAOYSA-N 2 1 372.597 5.003 20 0 FKADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000559905011 568501464 /nfs/dbraw/zinc/50/14/64/568501464.db2.gz SCRAPBNXSOGIQM-UHFFFAOYSA-N 2 1 358.476 5.157 20 0 FKADMP CC(C)Oc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000560241675 568527090 /nfs/dbraw/zinc/52/70/90/568527090.db2.gz UEKVUAFZLQOVJW-INIZCTEOSA-N 2 1 364.961 5.185 20 0 FKADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000560241676 568527042 /nfs/dbraw/zinc/52/70/42/568527042.db2.gz UEKVUAFZLQOVJW-MRXNPFEDSA-N 2 1 364.961 5.185 20 0 FKADMP CCOc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1Cl ZINC000560265962 568530083 /nfs/dbraw/zinc/53/00/83/568530083.db2.gz SGLZZPWZTHGOKE-HNNXBMFYSA-N 2 1 369.896 5.084 20 0 FKADMP CCOc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1Cl ZINC000560265964 568530062 /nfs/dbraw/zinc/53/00/62/568530062.db2.gz SGLZZPWZTHGOKE-OAHLLOKOSA-N 2 1 369.896 5.084 20 0 FKADMP C[C@H](CCCC(F)(F)F)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000560545825 568547132 /nfs/dbraw/zinc/54/71/32/568547132.db2.gz XNLNRTSXCZRIDY-IPJUCJBFSA-N 2 1 356.476 5.140 20 0 FKADMP C[C@@H](CCCC(F)(F)F)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000560545835 568547066 /nfs/dbraw/zinc/54/70/66/568547066.db2.gz XNLNRTSXCZRIDY-IVMQYODDSA-N 2 1 356.476 5.140 20 0 FKADMP