smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1noc(C)c1CNc1ccc(-c2ccccc2)cc1 ZINC000159364093 327174687 /nfs/dbraw/zinc/17/46/87/327174687.db2.gz XIKVOXWNMFEMCN-UHFFFAOYSA-N 0 0 292.382 4.825 20 70 CJIDRN CCC[C@H](N[C@@H](C)c1ccccn1)c1ccc(F)cc1F ZINC000159371161 261184998 /nfs/dbraw/zinc/18/49/98/261184998.db2.gz FYIKGMXTCJJUIC-SJCJKPOMSA-N 0 0 290.357 4.552 20 70 CJIDRN CCC[C@@H](N[C@@H](C)c1ccccn1)c1ccc(F)cc1F ZINC000159371262 261185149 /nfs/dbraw/zinc/18/51/49/261185149.db2.gz FYIKGMXTCJJUIC-YVEFUNNKSA-N 0 0 290.357 4.552 20 70 CJIDRN CCC[C@H](N[C@H](C)c1ccccn1)c1ccc(F)cc1F ZINC000159371385 261185283 /nfs/dbraw/zinc/18/52/83/261185283.db2.gz FYIKGMXTCJJUIC-PXAZEXFGSA-N 0 0 290.357 4.552 20 70 CJIDRN CCC[C@@H](N[C@H](C)c1ccccn1)c1ccc(F)cc1F ZINC000159371528 261184940 /nfs/dbraw/zinc/18/49/40/261184940.db2.gz FYIKGMXTCJJUIC-SJKOYZFVSA-N 0 0 290.357 4.552 20 70 CJIDRN Cc1ncsc1CNc1cccc(-c2cccs2)c1 ZINC000159389485 327176858 /nfs/dbraw/zinc/17/68/58/327176858.db2.gz YFMVQVAYUCCZCP-UHFFFAOYSA-N 0 0 286.425 4.792 20 70 CJIDRN CCSc1ccc([C@@H](C)N[C@@H](C)c2nccs2)cc1 ZINC000159424296 330847547 /nfs/dbraw/zinc/84/75/47/330847547.db2.gz DKBDFGYHOTXCJM-NEPJUHHUSA-N 0 0 292.473 4.667 20 70 CJIDRN CCSc1ccc([C@H](C)N[C@@H](C)c2nccs2)cc1 ZINC000159424429 330847549 /nfs/dbraw/zinc/84/75/49/330847549.db2.gz DKBDFGYHOTXCJM-RYUDHWBXSA-N 0 0 292.473 4.667 20 70 CJIDRN C[C@H](N[C@@H](C)c1cccc(F)c1F)c1ccccc1F ZINC000159434637 330847868 /nfs/dbraw/zinc/84/78/68/330847868.db2.gz HCJSBORPOSAOQC-QWRGUYRKSA-N 0 0 279.305 4.516 20 70 CJIDRN C[C@@H](N[C@@H](C)c1cccc(F)c1F)c1ccccc1F ZINC000159434767 330847920 /nfs/dbraw/zinc/84/79/20/330847920.db2.gz HCJSBORPOSAOQC-MNOVXSKESA-N 0 0 279.305 4.516 20 70 CJIDRN C[C@@H](N[C@@H](C)c1cccc(F)c1F)c1c(F)cccc1F ZINC000159435408 262356343 /nfs/dbraw/zinc/35/63/43/262356343.db2.gz RIWTUEOXDOWLDJ-VHSXEESVSA-N 0 0 297.295 4.655 20 70 CJIDRN C[C@@H](N[C@H](C)c1c(F)cccc1F)c1cccc(F)c1F ZINC000159435589 330847912 /nfs/dbraw/zinc/84/79/12/330847912.db2.gz RIWTUEOXDOWLDJ-NXEZZACHSA-N 0 0 297.295 4.655 20 70 CJIDRN CC(C)c1ccc(C(=O)Nc2ccccc2C(C)C)cn1 ZINC000159444315 330848056 /nfs/dbraw/zinc/84/80/56/330848056.db2.gz HRCXALRVDAADCA-UHFFFAOYSA-N 0 0 282.387 4.581 20 70 CJIDRN CCc1noc(C)c1CNc1c(C)cccc1C(C)C ZINC000159480138 327198691 /nfs/dbraw/zinc/19/86/91/327198691.db2.gz UVQCASCSEGVDRV-UHFFFAOYSA-N 0 0 272.392 4.589 20 70 CJIDRN C[C@H](N[C@@H](C)c1cccc(F)c1F)c1ccc(F)cc1F ZINC000159481799 330848300 /nfs/dbraw/zinc/84/83/00/330848300.db2.gz LRZLLHUVFSMJID-UWVGGRQHSA-N 0 0 297.295 4.655 20 70 CJIDRN C[C@H](N[C@@H](C)c1cc(F)ccc1F)c1cccc(F)c1F ZINC000159517894 330848717 /nfs/dbraw/zinc/84/87/17/330848717.db2.gz ZUVQDQKHYDQDIH-UWVGGRQHSA-N 0 0 297.295 4.655 20 70 CJIDRN C[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1cccc(F)c1F ZINC000159518039 262359257 /nfs/dbraw/zinc/35/92/57/262359257.db2.gz ZUVQDQKHYDQDIH-ZJUUUORDSA-N 0 0 297.295 4.655 20 70 CJIDRN C[C@@H](N[C@H](C)c1cc(F)ccc1F)c1cccc(F)c1F ZINC000159518326 330848619 /nfs/dbraw/zinc/84/86/19/330848619.db2.gz ZUVQDQKHYDQDIH-NXEZZACHSA-N 0 0 297.295 4.655 20 70 CJIDRN CCc1cccc(CC)c1NC(=O)c1ccc(C(C)C)nc1 ZINC000159600781 330849396 /nfs/dbraw/zinc/84/93/96/330849396.db2.gz QXVJITMHGQXAAO-UHFFFAOYSA-N 0 0 296.414 4.582 20 70 CJIDRN CCc1cccc(C)c1NC(=O)Nc1cscc1C ZINC000159615466 261189659 /nfs/dbraw/zinc/18/96/59/261189659.db2.gz MPKKJABTZWVAAK-UHFFFAOYSA-N 0 0 274.389 4.571 20 70 CJIDRN Cc1cscc1NC(=O)Nc1ccc(C)cc1Cl ZINC000159650890 330849749 /nfs/dbraw/zinc/84/97/49/330849749.db2.gz DQPCQSXKTCUIMC-UHFFFAOYSA-N 0 0 280.780 4.662 20 70 CJIDRN CCc1noc(C)c1CS[C@@H](C)c1ccccc1 ZINC000159657104 327551661 /nfs/dbraw/zinc/55/16/61/327551661.db2.gz XVAWJEKTJMORTO-LBPRGKRZSA-N 0 0 261.390 4.540 20 70 CJIDRN CCc1noc(C)c1CS[C@H](C)c1ccccc1 ZINC000159657277 327551622 /nfs/dbraw/zinc/55/16/22/327551622.db2.gz XVAWJEKTJMORTO-GFCCVEGCSA-N 0 0 261.390 4.540 20 70 CJIDRN Cc1cscc1NC(=O)Nc1ccccc1C(C)C ZINC000159669236 261190739 /nfs/dbraw/zinc/19/07/39/261190739.db2.gz VBUQGSJRFYOHRV-UHFFFAOYSA-N 0 0 274.389 4.824 20 70 CJIDRN Cc1cscc1NC(=O)Nc1ccccc1C(C)(C)C ZINC000159726524 330850782 /nfs/dbraw/zinc/85/07/82/330850782.db2.gz KTKDBLCJJVNQMS-UHFFFAOYSA-N 0 0 288.416 4.998 20 70 CJIDRN CCOc1ccccc1-c1nc(-c2ccccc2)cs1 ZINC000159734710 330850821 /nfs/dbraw/zinc/85/08/21/330850821.db2.gz IRIJBEBMHNWXHS-UHFFFAOYSA-N 0 0 281.380 4.876 20 70 CJIDRN CCc1cccc(CC)c1NC(=O)Nc1cscc1C ZINC000159768793 330851170 /nfs/dbraw/zinc/85/11/70/330851170.db2.gz YIXGAKHCGBUEBA-UHFFFAOYSA-N 0 0 288.416 4.825 20 70 CJIDRN Cc1cscc1NC(=O)Nc1cc(Cl)ccc1C ZINC000159788184 330851520 /nfs/dbraw/zinc/85/15/20/330851520.db2.gz HSBQMHFGBHIANF-UHFFFAOYSA-N 0 0 280.780 4.662 20 70 CJIDRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1=CCCC1 ZINC000159824111 327568709 /nfs/dbraw/zinc/56/87/09/327568709.db2.gz UXLBOTZBVBVQLR-UHFFFAOYSA-N 0 0 290.577 4.696 20 70 CJIDRN COc1cc(N[C@@H](c2ccc(F)cc2)C2CC2)ccc1F ZINC000159896413 330853961 /nfs/dbraw/zinc/85/39/61/330853961.db2.gz ATSBHZBEFRTYFK-QGZVFWFLSA-N 0 0 289.325 4.537 20 70 CJIDRN COc1cc(N[C@H](c2ccc(F)cc2)C2CC2)ccc1F ZINC000159896533 330853949 /nfs/dbraw/zinc/85/39/49/330853949.db2.gz ATSBHZBEFRTYFK-KRWDZBQOSA-N 0 0 289.325 4.537 20 70 CJIDRN COc1cc(N[C@H](C)c2ccc(Cl)cc2)ccc1F ZINC000159918675 330854211 /nfs/dbraw/zinc/85/42/11/330854211.db2.gz YZPXKZBPJBINSR-SNVBAGLBSA-N 0 0 279.742 4.661 20 70 CJIDRN COc1cc(NCc2csc3ccccc23)ccc1F ZINC000159931576 330854555 /nfs/dbraw/zinc/85/45/55/330854555.db2.gz HTWOIQKGZMVXQP-UHFFFAOYSA-N 0 0 287.359 4.661 20 70 CJIDRN Cc1cccc(C(C)C)c1NC(=O)NCCC1=CCCC1 ZINC000159953998 327581557 /nfs/dbraw/zinc/58/15/57/327581557.db2.gz OWBBJSSSNQPTMD-UHFFFAOYSA-N 0 0 286.419 4.740 20 70 CJIDRN Cc1cc(C)c(C(=O)Nc2ccccc2-c2ccccc2)[nH]1 ZINC000159955266 327581708 /nfs/dbraw/zinc/58/17/08/327581708.db2.gz JAHIDNYSNKLRJS-UHFFFAOYSA-N 0 0 290.366 4.551 20 70 CJIDRN CCc1noc(C)c1CSCc1cccc2cccnc21 ZINC000159982120 261201122 /nfs/dbraw/zinc/20/11/22/261201122.db2.gz JUUSYSPYUSCUGT-UHFFFAOYSA-N 0 0 298.411 4.527 20 70 CJIDRN COc1cc(N[C@@H]2CCc3cc(Cl)ccc32)ccc1F ZINC000159991510 330856633 /nfs/dbraw/zinc/85/66/33/330856633.db2.gz KOWRWWKVCJCIOU-OAHLLOKOSA-N 0 0 291.753 4.587 20 70 CJIDRN COc1cc(N[C@H]2CCc3cc(Cl)ccc32)ccc1F ZINC000159991637 330856685 /nfs/dbraw/zinc/85/66/85/330856685.db2.gz KOWRWWKVCJCIOU-HNNXBMFYSA-N 0 0 291.753 4.587 20 70 CJIDRN COc1cc(N[C@@H](C)c2ccccc2Cl)ccc1F ZINC000160013065 330857011 /nfs/dbraw/zinc/85/70/11/330857011.db2.gz WAXURCLQEYBCQM-JTQLQIEISA-N 0 0 279.742 4.661 20 70 CJIDRN CCc1noc(C)c1CSc1cc(C)nc2ccccc21 ZINC000160017016 327586550 /nfs/dbraw/zinc/58/65/50/327586550.db2.gz OJYNHJJFBQVMES-UHFFFAOYSA-N 0 0 298.411 4.694 20 70 CJIDRN CC(C)c1cccc(N(C)C(=O)C2CCC(F)(F)CC2)c1 ZINC000160031646 327587949 /nfs/dbraw/zinc/58/79/49/327587949.db2.gz GJVRIAFXZHGQHM-UHFFFAOYSA-N 0 0 295.373 4.598 20 70 CJIDRN CC[C@H](Nc1ccc(F)c(OC)c1)c1ccccc1F ZINC000160043250 330857553 /nfs/dbraw/zinc/85/75/53/330857553.db2.gz KWARKNFEXNUFFE-HNNXBMFYSA-N 0 0 277.314 4.537 20 70 CJIDRN CC[C@@H](Nc1ccc(F)c(OC)c1)c1ccccc1F ZINC000160043404 330857525 /nfs/dbraw/zinc/85/75/25/330857525.db2.gz KWARKNFEXNUFFE-OAHLLOKOSA-N 0 0 277.314 4.537 20 70 CJIDRN O=C(Nc1cccc2ccccc21)N1CC[C@@H]2CCCC[C@@H]21 ZINC000160054497 327590071 /nfs/dbraw/zinc/59/00/71/327590071.db2.gz COLHDFUYKSBCTE-YJBOKZPZSA-N 0 0 294.398 4.636 20 70 CJIDRN CCc1ccc([C@@H](C)Nc2ccc(F)c(OC)c2)s1 ZINC000160062190 330857989 /nfs/dbraw/zinc/85/79/89/330857989.db2.gz QMPAAGNFGFKWHK-SNVBAGLBSA-N 0 0 279.380 4.631 20 70 CJIDRN CCc1noc(C)c1CSCc1ccc2ccccc2n1 ZINC000160083991 261204374 /nfs/dbraw/zinc/20/43/74/261204374.db2.gz UGBBBDRYIKUDNY-UHFFFAOYSA-N 0 0 298.411 4.527 20 70 CJIDRN Cc1noc(C)c1CCS[C@@H](C)CCc1ccccc1 ZINC000160131123 327595588 /nfs/dbraw/zinc/59/55/88/327595588.db2.gz KFGQEGHVJFISFG-ZDUSSCGKSA-N 0 0 289.444 4.588 20 70 CJIDRN Cc1noc(C)c1CCS[C@H](C)CCc1ccccc1 ZINC000160131249 327595486 /nfs/dbraw/zinc/59/54/86/327595486.db2.gz KFGQEGHVJFISFG-CYBMUJFWSA-N 0 0 289.444 4.588 20 70 CJIDRN Cc1noc(C)c1CCS[C@@H](C)c1ccc(F)c(F)c1 ZINC000160133019 327595730 /nfs/dbraw/zinc/59/57/30/327595730.db2.gz LYLUXNUBVCURPD-NSHDSACASA-N 0 0 297.370 4.607 20 70 CJIDRN Cc1noc(C)c1CCS[C@H](C)c1cccc(C)c1 ZINC000160147562 327595947 /nfs/dbraw/zinc/59/59/47/327595947.db2.gz QHCJNEDXLZDFKC-CQSZACIVSA-N 0 0 275.417 4.637 20 70 CJIDRN Cc1noc(C)c1CCS[C@@H](C)c1cccc(C)c1 ZINC000160147671 327596032 /nfs/dbraw/zinc/59/60/32/327596032.db2.gz QHCJNEDXLZDFKC-AWEZNQCLSA-N 0 0 275.417 4.637 20 70 CJIDRN Cc1noc(C)c1CCS[C@H](C)c1ccccc1C ZINC000160157571 327596764 /nfs/dbraw/zinc/59/67/64/327596764.db2.gz VTWGNHJQCBHHMD-CQSZACIVSA-N 0 0 275.417 4.637 20 70 CJIDRN CC[C@@H](C)OCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000160158971 261206723 /nfs/dbraw/zinc/20/67/23/261206723.db2.gz OONPSIAAACGWKR-CQSZACIVSA-N 0 0 291.435 4.687 20 70 CJIDRN CC[C@H](C)OCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000160159085 261207069 /nfs/dbraw/zinc/20/70/69/261207069.db2.gz OONPSIAAACGWKR-AWEZNQCLSA-N 0 0 291.435 4.687 20 70 CJIDRN C[C@H](N[C@@H](C)c1nc(-c2ccccc2)cs1)c1ccco1 ZINC000160215379 327602669 /nfs/dbraw/zinc/60/26/69/327602669.db2.gz IMKTXAIYKMNGKV-STQMWFEESA-N 0 0 298.411 4.815 20 70 CJIDRN C[C@@H](N[C@@H](C)c1nc(-c2ccccc2)cs1)c1ccco1 ZINC000160215514 327602609 /nfs/dbraw/zinc/60/26/09/327602609.db2.gz IMKTXAIYKMNGKV-OLZOCXBDSA-N 0 0 298.411 4.815 20 70 CJIDRN C[C@@H](N[C@@H](C)c1ccco1)c1nc(-c2ccccc2)cs1 ZINC000160215653 327601998 /nfs/dbraw/zinc/60/19/98/327601998.db2.gz IMKTXAIYKMNGKV-QWHCGFSZSA-N 0 0 298.411 4.815 20 70 CJIDRN C[C@@H](N[C@H](C)c1nc(-c2ccccc2)cs1)c1ccco1 ZINC000160215790 327601990 /nfs/dbraw/zinc/60/19/90/327601990.db2.gz IMKTXAIYKMNGKV-CHWSQXEVSA-N 0 0 298.411 4.815 20 70 CJIDRN CC[C@@H](Sc1nncc2ccccc21)c1ccccc1 ZINC000160227797 327603008 /nfs/dbraw/zinc/60/30/08/327603008.db2.gz OMOAKJACYNFOIG-MRXNPFEDSA-N 0 0 280.396 4.873 20 70 CJIDRN Cc1ccccc1[C@@H](C)Sc1nncc2ccccc21 ZINC000160234709 327603597 /nfs/dbraw/zinc/60/35/97/327603597.db2.gz FKKGVBKERVTTLN-CYBMUJFWSA-N 0 0 280.396 4.792 20 70 CJIDRN Cc1ccccc1[C@H](C)Sc1nncc2ccccc21 ZINC000160234836 327603632 /nfs/dbraw/zinc/60/36/32/327603632.db2.gz FKKGVBKERVTTLN-ZDUSSCGKSA-N 0 0 280.396 4.792 20 70 CJIDRN C[C@H](Sc1nncc2ccccc21)c1cccc(F)c1 ZINC000160238800 327603879 /nfs/dbraw/zinc/60/38/79/327603879.db2.gz CQQMDCLVRYEOES-NSHDSACASA-N 0 0 284.359 4.622 20 70 CJIDRN Cc1cccc([C@@H](C)Sc2nncc3ccccc32)c1 ZINC000160251034 327604155 /nfs/dbraw/zinc/60/41/55/327604155.db2.gz DTTMOCGPBVDIOU-CYBMUJFWSA-N 0 0 280.396 4.792 20 70 CJIDRN Cc1cccc([C@H](C)Sc2nncc3ccccc32)c1 ZINC000160251164 327604416 /nfs/dbraw/zinc/60/44/16/327604416.db2.gz DTTMOCGPBVDIOU-ZDUSSCGKSA-N 0 0 280.396 4.792 20 70 CJIDRN COc1cc(N[C@@H](c2ccccc2)C(F)(F)F)ccc1F ZINC000160271776 330862329 /nfs/dbraw/zinc/86/23/29/330862329.db2.gz GASMAHXGHQOULW-AWEZNQCLSA-N 0 0 299.267 4.550 20 70 CJIDRN COc1cc(N[C@H](c2ccccc2)C(F)(F)F)ccc1F ZINC000160271855 330862347 /nfs/dbraw/zinc/86/23/47/330862347.db2.gz GASMAHXGHQOULW-CQSZACIVSA-N 0 0 299.267 4.550 20 70 CJIDRN CC(=O)Nc1cc(N[C@@H]2CCCC[C@@H]2C(C)C)ccc1C ZINC000160310267 330862956 /nfs/dbraw/zinc/86/29/56/330862956.db2.gz AQLZSDGLIAKWPJ-IAGOWNOFSA-N 0 0 288.435 4.580 20 70 CJIDRN CC(=O)Nc1cc(N[C@H]2CCCC[C@@H]2C(C)C)ccc1C ZINC000160310402 330862945 /nfs/dbraw/zinc/86/29/45/330862945.db2.gz AQLZSDGLIAKWPJ-SJORKVTESA-N 0 0 288.435 4.580 20 70 CJIDRN CC(=O)Nc1cc(N[C@@H]2CCCC[C@H]2C(C)C)ccc1C ZINC000160310504 330862932 /nfs/dbraw/zinc/86/29/32/330862932.db2.gz AQLZSDGLIAKWPJ-DLBZAZTESA-N 0 0 288.435 4.580 20 70 CJIDRN CC(=O)Nc1cc(N[C@H]2CCCC[C@H]2C(C)C)ccc1C ZINC000160310604 330862939 /nfs/dbraw/zinc/86/29/39/330862939.db2.gz AQLZSDGLIAKWPJ-IRXDYDNUSA-N 0 0 288.435 4.580 20 70 CJIDRN CC(C)c1ccc([C@@H]2CCCCN2C(=O)CC2CC2)cc1 ZINC000160360388 327606831 /nfs/dbraw/zinc/60/68/31/327606831.db2.gz POKWCQCXKISDKO-SFHVURJKSA-N 0 0 285.431 4.664 20 70 CJIDRN CC(C)c1ccc([C@H]2CCCCN2C(=O)CC2CC2)cc1 ZINC000160360516 327661108 /nfs/dbraw/zinc/66/11/08/327661108.db2.gz POKWCQCXKISDKO-GOSISDBHSA-N 0 0 285.431 4.664 20 70 CJIDRN CC(C)c1ccc([C@@H]2CCCCN2C(=O)C2CC=CC2)cc1 ZINC000160435138 327609258 /nfs/dbraw/zinc/60/92/58/327609258.db2.gz NXTVYTOGAZVVLO-IBGZPJMESA-N 0 0 297.442 4.830 20 70 CJIDRN CC(C)c1ccc([C@H]2CCCCN2C(=O)C2CC=CC2)cc1 ZINC000160435198 327609254 /nfs/dbraw/zinc/60/92/54/327609254.db2.gz NXTVYTOGAZVVLO-LJQANCHMSA-N 0 0 297.442 4.830 20 70 CJIDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccccc1C(C)C ZINC000160570682 330867437 /nfs/dbraw/zinc/86/74/37/330867437.db2.gz SUFQCJITYBNKFI-HUUCEWRRSA-N 0 0 299.439 4.922 20 70 CJIDRN Cc1nc2cc(NCc3ccc(Cl)cc3F)ccc2o1 ZINC000160667959 330873464 /nfs/dbraw/zinc/87/34/64/330873464.db2.gz MPJHPZMUMBRTDE-UHFFFAOYSA-N 0 0 290.725 4.541 20 70 CJIDRN Cc1cccc(Cl)c1NC(=O)N1CCCC[C@H]1C(C)C ZINC000160743937 330874187 /nfs/dbraw/zinc/87/41/87/330874187.db2.gz XSIGRMXHNUCWNE-AWEZNQCLSA-N 0 0 294.826 4.691 20 70 CJIDRN Cc1cc([C@@H](C)NCc2ccc(Cl)cc2F)c(C)o1 ZINC000160803331 330876303 /nfs/dbraw/zinc/87/63/03/330876303.db2.gz QROLLCMADHECLC-SNVBAGLBSA-N 0 0 281.758 4.540 20 70 CJIDRN Cc1nc2cc(NCc3cc(F)cc(Cl)c3)ccc2o1 ZINC000160821042 330876455 /nfs/dbraw/zinc/87/64/55/330876455.db2.gz KEUHYORMXVDIGM-UHFFFAOYSA-N 0 0 290.725 4.541 20 70 CJIDRN Cc1ccc2c(c1)[C@H](Nc1cccc3ccncc31)CC2 ZINC000160835782 328087944 /nfs/dbraw/zinc/08/79/44/328087944.db2.gz CRSGGGYPFZSRCB-LJQANCHMSA-N 0 0 274.367 4.643 20 70 CJIDRN Cc1ccc2c(c1)[C@@H](Nc1cccc3ccncc31)CC2 ZINC000160835905 328087988 /nfs/dbraw/zinc/08/79/88/328087988.db2.gz CRSGGGYPFZSRCB-IBGZPJMESA-N 0 0 274.367 4.643 20 70 CJIDRN Fc1cc(Cl)cc(CNc2cccc3cnccc32)c1 ZINC000160842733 260136131 /nfs/dbraw/zinc/13/61/31/260136131.db2.gz DNTVTCUNAJBWCX-UHFFFAOYSA-N 0 0 286.737 4.639 20 70 CJIDRN Fc1cc(Cl)ccc1CNc1cccc2ccncc21 ZINC000160862765 328090505 /nfs/dbraw/zinc/09/05/05/328090505.db2.gz KQRFJFHOIGULTQ-UHFFFAOYSA-N 0 0 286.737 4.639 20 70 CJIDRN C[C@@H](NCc1cc(F)cc(Cl)c1)c1c(F)cccc1F ZINC000160896592 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