smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1nc(N[C@H]2CCO[C@@H](c3ccccc3)C2)cc[nH+]1 ZINC000160583188 264251159 /nfs/dbraw/zinc/25/11/59/264251159.db2.gz ZKOUTGYFBRCARG-JKSUJKDBSA-N 1 2 297.402 3.932 20 70 CHIDLO CCn1nccc1C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000161139170 328136228 /nfs/dbraw/zinc/13/62/28/328136228.db2.gz PSZNXVOFDDPHRQ-UHFFFAOYSA-N 1 2 298.217 3.842 20 70 CHIDLO CCn1nccc1C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000161139170 328136230 /nfs/dbraw/zinc/13/62/30/328136230.db2.gz PSZNXVOFDDPHRQ-UHFFFAOYSA-N 1 2 298.217 3.842 20 70 CHIDLO CC(C)n1cc[nH+]c1CN(C)Cc1ccc(Cl)s1 ZINC000160699833 330873631 /nfs/dbraw/zinc/87/36/31/330873631.db2.gz PFNVMHGDILZKRG-UHFFFAOYSA-N 1 2 283.828 3.811 20 70 CHIDLO Cc1n[nH]cc1C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000160666042 261222430 /nfs/dbraw/zinc/22/24/30/261222430.db2.gz KWTHADJRMDJOLC-UHFFFAOYSA-N 1 2 287.388 3.575 20 70 CHIDLO Cc1n[nH]cc1C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000160666042 261222432 /nfs/dbraw/zinc/22/24/32/261222432.db2.gz KWTHADJRMDJOLC-UHFFFAOYSA-N 1 2 287.388 3.575 20 70 CHIDLO CCc1ccc([C@H](CO)Nc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC000160927955 264267709 /nfs/dbraw/zinc/26/77/09/264267709.db2.gz SBFULEWCFHUUES-INIZCTEOSA-N 1 2 299.418 3.616 20 70 CHIDLO Cc1[nH]c2ccc(NC(=O)c3cccc(C)c3F)cc2[nH+]1 ZINC000161427718 527129060 /nfs/dbraw/zinc/12/90/60/527129060.db2.gz IQXCOMHXGBXOMK-UHFFFAOYSA-N 1 2 283.306 3.571 20 70 CHIDLO Cc1[nH]c2cc(NC(=O)c3cccc(C)c3F)ccc2[nH+]1 ZINC000161427718 527129067 /nfs/dbraw/zinc/12/90/67/527129067.db2.gz IQXCOMHXGBXOMK-UHFFFAOYSA-N 1 2 283.306 3.571 20 70 CHIDLO CC(C)c1nc(N[C@H]2CCO[C@H](c3ccccc3)C2)cc[nH+]1 ZINC000160582957 264251228 /nfs/dbraw/zinc/25/12/28/264251228.db2.gz ZKOUTGYFBRCARG-HOTGVXAUSA-N 1 2 297.402 3.932 20 70 CHIDLO Nc1nc(N[C@H]2CCCc3sccc32)[nH+]c2ccccc12 ZINC000161062123 264265590 /nfs/dbraw/zinc/26/55/90/264265590.db2.gz MCKAHGKVHAJKGW-LBPRGKRZSA-N 1 2 296.399 3.763 20 70 CHIDLO Cc1ccc(C[N@@H+](C)Cc2cnc(C(C)(C)C)s2)o1 ZINC000160867338 328090685 /nfs/dbraw/zinc/09/06/85/328090685.db2.gz UOVHISIYXHOLCX-UHFFFAOYSA-N 1 2 278.421 3.974 20 70 CHIDLO Cc1ccc(C[N@H+](C)Cc2cnc(C(C)(C)C)s2)o1 ZINC000160867338 328090686 /nfs/dbraw/zinc/09/06/86/328090686.db2.gz UOVHISIYXHOLCX-UHFFFAOYSA-N 1 2 278.421 3.974 20 70 CHIDLO CCSc1ccc([C@H](C)[NH2+]Cc2ccon2)cc1 ZINC000159780799 327563696 /nfs/dbraw/zinc/56/36/96/327563696.db2.gz PSPGFOOTLWVCGJ-NSHDSACASA-N 1 2 262.378 3.637 20 70 CHIDLO CC(C)n1ccnc1C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000160744396 520024920 /nfs/dbraw/zinc/02/49/20/520024920.db2.gz BVWPMSNUJIXLRV-LBPRGKRZSA-N 1 2 293.361 3.935 20 70 CHIDLO CC(C)n1ccnc1C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000160744396 520024927 /nfs/dbraw/zinc/02/49/27/520024927.db2.gz BVWPMSNUJIXLRV-LBPRGKRZSA-N 1 2 293.361 3.935 20 70 CHIDLO CC(C)n1cc[nH+]c1CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000160744396 520024934 /nfs/dbraw/zinc/02/49/34/520024934.db2.gz BVWPMSNUJIXLRV-LBPRGKRZSA-N 1 2 293.361 3.935 20 70 CHIDLO CC[C@@H](C(=O)Nc1cc[nH+]cc1C)c1ccc(F)cc1 ZINC000159872977 261196453 /nfs/dbraw/zinc/19/64/53/261196453.db2.gz BMGDNFWGKLULJA-CQSZACIVSA-N 1 2 272.323 3.661 20 70 CHIDLO CCc1ccc([C@@H](CO)Nc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC000160927831 264267575 /nfs/dbraw/zinc/26/75/75/264267575.db2.gz SBFULEWCFHUUES-MRXNPFEDSA-N 1 2 299.418 3.616 20 70 CHIDLO C[C@H](CCn1cccn1)[NH2+][C@@H](CC(C)(C)C)C(F)(F)F ZINC000159494810 327208229 /nfs/dbraw/zinc/20/82/29/327208229.db2.gz PEOMFHCRBCHYTK-NEPJUHHUSA-N 1 2 291.361 3.618 20 70 CHIDLO Cc1ccc(C[N@@H+](C)Cc2cnc(C3CC3)s2)o1 ZINC000160873386 328089916 /nfs/dbraw/zinc/08/99/16/328089916.db2.gz ZELHMZQSUVQCJT-UHFFFAOYSA-N 1 2 262.378 3.554 20 70 CHIDLO Cc1ccc(C[N@H+](C)Cc2cnc(C3CC3)s2)o1 ZINC000160873386 328089917 /nfs/dbraw/zinc/08/99/17/328089917.db2.gz ZELHMZQSUVQCJT-UHFFFAOYSA-N 1 2 262.378 3.554 20 70 CHIDLO C[C@@H](CCn1cccn1)[NH2+][C@H](CC(C)(C)C)C(F)(F)F ZINC000159494941 327208217 /nfs/dbraw/zinc/20/82/17/327208217.db2.gz PEOMFHCRBCHYTK-NWDGAFQWSA-N 1 2 291.361 3.618 20 70 CHIDLO CC[C@@H](C(=O)Nc1cc[nH+]c(C)c1)c1ccc(F)cc1 ZINC000161458333 521877121 /nfs/dbraw/zinc/87/71/21/521877121.db2.gz YEOYRPXJRRVKSN-OAHLLOKOSA-N 1 2 272.323 3.661 20 70 CHIDLO CC[C@H](C(=O)Nc1cc[nH+]cc1C)c1ccc(F)cc1 ZINC000159872829 261196411 /nfs/dbraw/zinc/19/64/11/261196411.db2.gz BMGDNFWGKLULJA-AWEZNQCLSA-N 1 2 272.323 3.661 20 70 CHIDLO c1ccc([C@H]2C[C@@H](Nc3cc[nH+]c(C4CC4)n3)CCO2)cc1 ZINC000160633700 261220900 /nfs/dbraw/zinc/22/09/00/261220900.db2.gz MLPBBXJEXFPLOC-JKSUJKDBSA-N 1 2 295.386 3.686 20 70 CHIDLO Nc1nc(N[C@@H]2CCCc3sccc32)[nH+]c2ccccc12 ZINC000161061998 264265739 /nfs/dbraw/zinc/26/57/39/264265739.db2.gz MCKAHGKVHAJKGW-GFCCVEGCSA-N 1 2 296.399 3.763 20 70 CHIDLO CC[N@H+](Cc1nccn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000160839752 328087964 /nfs/dbraw/zinc/08/79/64/328087964.db2.gz RAUKGBOVYGWUJO-ZDUSSCGKSA-N 1 2 283.375 3.749 20 70 CHIDLO CC[N@@H+](Cc1nccn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000160839752 328087965 /nfs/dbraw/zinc/08/79/65/328087965.db2.gz RAUKGBOVYGWUJO-ZDUSSCGKSA-N 1 2 283.375 3.749 20 70 CHIDLO Cc1cc2ccccc2[nH+]c1N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160354437 264241686 /nfs/dbraw/zinc/24/16/86/264241686.db2.gz HUHOSIJIGLMCPM-NVXWUHKLSA-N 1 2 282.387 3.913 20 70 CHIDLO CN(C)c1ccc(NCc2coc3ccccc23)c[nH+]1 ZINC000159806954 330851669 /nfs/dbraw/zinc/85/16/69/330851669.db2.gz GXRZUFLWGXZUMS-UHFFFAOYSA-N 1 2 267.332 3.506 20 70 CHIDLO CC1(C)C[C@@H](Nc2ccc3ccccc3[nH+]2)CCO1 ZINC000160690074 261222708 /nfs/dbraw/zinc/22/27/08/261222708.db2.gz HVLQGPYAFGFBAH-ZDUSSCGKSA-N 1 2 256.349 3.604 20 70 CHIDLO Cc1ccc(C[N@@H+](C)Cc2ncccc2C(F)(F)F)o1 ZINC000160845571 328088229 /nfs/dbraw/zinc/08/82/29/328088229.db2.gz OYJUGBPNGTXFQD-UHFFFAOYSA-N 1 2 284.281 3.634 20 70 CHIDLO Cc1ccc(C[N@H+](C)Cc2ncccc2C(F)(F)F)o1 ZINC000160845571 328088230 /nfs/dbraw/zinc/08/82/30/328088230.db2.gz OYJUGBPNGTXFQD-UHFFFAOYSA-N 1 2 284.281 3.634 20 70 CHIDLO Cc1cc(NC(=O)CC[C@@H](C)c2ccccc2)cc[nH+]1 ZINC000159802378 327566230 /nfs/dbraw/zinc/56/62/30/327566230.db2.gz BTRDSWPHMQAALX-CYBMUJFWSA-N 1 2 268.360 3.912 20 70 CHIDLO CC(C)n1cc[nH+]c1CNc1ccc(Br)cc1 ZINC000160696823 520033086 /nfs/dbraw/zinc/03/30/86/520033086.db2.gz GSLISHRIMGOPMU-UHFFFAOYSA-N 1 2 294.196 3.839 20 70 CHIDLO c1ccc2[nH+]c(N[C@H]3CCO[C@H](C4CC4)C3)ccc2c1 ZINC000160376196 261212798 /nfs/dbraw/zinc/21/27/98/261212798.db2.gz MPGDIHNOSSUGDC-HOCLYGCPSA-N 1 2 268.360 3.604 20 70 CHIDLO Cc1cc2ccccc2[nH+]c1N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160354315 264242426 /nfs/dbraw/zinc/24/24/26/264242426.db2.gz HUHOSIJIGLMCPM-RDJZCZTQSA-N 1 2 282.387 3.913 20 70 CHIDLO Cc1cc(NC(=O)c2cccc(OCC(C)C)c2)cc[nH+]1 ZINC000217037911 267133108 /nfs/dbraw/zinc/13/31/08/267133108.db2.gz KSDXVDZRKKTXAH-UHFFFAOYSA-N 1 2 284.359 3.677 20 70 CHIDLO CC[N@H+](Cc1nccn1C)[C@H](C)c1cc2ccccc2o1 ZINC000160839887 328088081 /nfs/dbraw/zinc/08/80/81/328088081.db2.gz RAUKGBOVYGWUJO-CYBMUJFWSA-N 1 2 283.375 3.749 20 70 CHIDLO CC[N@@H+](Cc1nccn1C)[C@H](C)c1cc2ccccc2o1 ZINC000160839887 328088082 /nfs/dbraw/zinc/08/80/82/328088082.db2.gz RAUKGBOVYGWUJO-CYBMUJFWSA-N 1 2 283.375 3.749 20 70 CHIDLO c1ccc([C@@H]2C[C@H](Nc3cc[nH+]c(C4CC4)n3)CCO2)cc1 ZINC000160633306 261220890 /nfs/dbraw/zinc/22/08/90/261220890.db2.gz MLPBBXJEXFPLOC-CVEARBPZSA-N 1 2 295.386 3.686 20 70 CHIDLO CC[C@H]([NH2+]Cc1cc(C)on1)c1ccc(F)cc1F ZINC000160822302 261227147 /nfs/dbraw/zinc/22/71/47/261227147.db2.gz OOOVVOOGFZEMEH-AWEZNQCLSA-N 1 2 266.291 3.502 20 70 CHIDLO Cc1ccc(C[N@@H+](C)Cc2cnc(CC(C)C)s2)o1 ZINC000160878820 328091244 /nfs/dbraw/zinc/09/12/44/328091244.db2.gz IJLKQIIHLBCMLU-UHFFFAOYSA-N 1 2 278.421 3.875 20 70 CHIDLO Cc1ccc(C[N@H+](C)Cc2cnc(CC(C)C)s2)o1 ZINC000160878820 328091246 /nfs/dbraw/zinc/09/12/46/328091246.db2.gz IJLKQIIHLBCMLU-UHFFFAOYSA-N 1 2 278.421 3.875 20 70 CHIDLO CC(C)n1cc[nH+]c1CN(C)[C@@H](C)c1ccccc1F ZINC000160809432 330876335 /nfs/dbraw/zinc/87/63/35/330876335.db2.gz AWSMHHICEAXCIT-ZDUSSCGKSA-N 1 2 275.371 3.796 20 70 CHIDLO Cc1cc(NC(=O)Cc2coc3cc(C)c(C)cc23)cc[nH+]1 ZINC000217036983 267124359 /nfs/dbraw/zinc/12/43/59/267124359.db2.gz SHHNIARTJWEDJK-UHFFFAOYSA-N 1 2 294.354 3.934 20 70 CHIDLO CCn1cc[nH+]c1CN(Cc1ccco1)Cc1ccccc1 ZINC000160693756 327972295 /nfs/dbraw/zinc/97/22/95/327972295.db2.gz CFOUHIRMFYVPRR-UHFFFAOYSA-N 1 2 295.386 3.698 20 70 CHIDLO CCC[N@H+](Cc1nncn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000160836441 328087998 /nfs/dbraw/zinc/08/79/98/328087998.db2.gz PCRXAVLEJGUPFU-ZDUSSCGKSA-N 1 2 298.390 3.535 20 70 CHIDLO CCC[N@@H+](Cc1nncn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000160836441 328088000 /nfs/dbraw/zinc/08/80/00/328088000.db2.gz PCRXAVLEJGUPFU-ZDUSSCGKSA-N 1 2 298.390 3.535 20 70 CHIDLO Cc1cc2ccccc2[nH+]c1NCC1(CO)CCCC1 ZINC000160199649 330860916 /nfs/dbraw/zinc/86/09/16/330860916.db2.gz YSLKKNQRWWATSA-UHFFFAOYSA-N 1 2 270.376 3.508 20 70 CHIDLO CN(C)c1ccc(NCc2ccc(Cl)cc2F)c[nH+]1 ZINC000160711513 522236217 /nfs/dbraw/zinc/23/62/17/522236217.db2.gz ALFPOHZIYDUQGX-UHFFFAOYSA-N 1 2 279.746 3.552 20 70 CHIDLO COCc1ccc(C[N@H+](C)Cc2ccccc2Cl)o1 ZINC000160815782 261227011 /nfs/dbraw/zinc/22/70/11/261227011.db2.gz JTMIJUCQSZPMJB-UHFFFAOYSA-N 1 2 279.767 3.711 20 70 CHIDLO COCc1ccc(C[N@@H+](C)Cc2ccccc2Cl)o1 ZINC000160815782 261227014 /nfs/dbraw/zinc/22/70/14/261227014.db2.gz JTMIJUCQSZPMJB-UHFFFAOYSA-N 1 2 279.767 3.711 20 70 CHIDLO C[C@@H](c1ccco1)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000161501810 261248662 /nfs/dbraw/zinc/24/86/62/261248662.db2.gz RUSMHWPJOGUHBY-JTQLQIEISA-N 1 2 262.378 3.807 20 70 CHIDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000161501810 261248664 /nfs/dbraw/zinc/24/86/64/261248664.db2.gz RUSMHWPJOGUHBY-JTQLQIEISA-N 1 2 262.378 3.807 20 70 CHIDLO CCC[N@H+](Cc1nncn1C)[C@H](C)c1cc2ccccc2o1 ZINC000160836560 328088061 /nfs/dbraw/zinc/08/80/61/328088061.db2.gz PCRXAVLEJGUPFU-CYBMUJFWSA-N 1 2 298.390 3.535 20 70 CHIDLO CCC[N@@H+](Cc1nncn1C)[C@H](C)c1cc2ccccc2o1 ZINC000160836560 328088063 /nfs/dbraw/zinc/08/80/63/328088063.db2.gz PCRXAVLEJGUPFU-CYBMUJFWSA-N 1 2 298.390 3.535 20 70 CHIDLO C[C@@H](CCn1cccn1)[NH2+][C@@H](CC(C)(C)C)C(F)(F)F ZINC000159494686 327208242 /nfs/dbraw/zinc/20/82/42/327208242.db2.gz PEOMFHCRBCHYTK-RYUDHWBXSA-N 1 2 291.361 3.618 20 70 CHIDLO c1ccc2[nH+]c(N[C@@H]3CCO[C@@H](C4CC4)C3)ccc2c1 ZINC000160376326 261212607 /nfs/dbraw/zinc/21/26/07/261212607.db2.gz MPGDIHNOSSUGDC-GDBMZVCRSA-N 1 2 268.360 3.604 20 70 CHIDLO COc1ccc2[nH+]c(N[C@H]3CCOC(C)(C)C3)ccc2c1 ZINC000160683401 264254045 /nfs/dbraw/zinc/25/40/45/264254045.db2.gz AZNPVBJZDBMUJA-ZDUSSCGKSA-N 1 2 286.375 3.613 20 70 CHIDLO CC(C)n1ccnc1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000160843850 520026524 /nfs/dbraw/zinc/02/65/24/520026524.db2.gz QBWDQYBKTOHLCC-UHFFFAOYSA-N 1 2 299.418 3.507 20 70 CHIDLO COc1ccc2[nH+]c(N[C@@H]3CCO[C@H](C4CC4)C3)ccc2c1 ZINC000160462682 264247996 /nfs/dbraw/zinc/24/79/96/264247996.db2.gz LUVXFOVVHDPVEY-PBHICJAKSA-N 1 2 298.386 3.613 20 70 CHIDLO Cc1ccc(C[N@@H+](C)Cc2cc(F)c(F)cc2F)o1 ZINC000160874136 328090166 /nfs/dbraw/zinc/09/01/66/328090166.db2.gz DUHBMLJUKHEBKO-UHFFFAOYSA-N 1 2 269.266 3.637 20 70 CHIDLO Cc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2F)o1 ZINC000160874136 328090168 /nfs/dbraw/zinc/09/01/68/328090168.db2.gz DUHBMLJUKHEBKO-UHFFFAOYSA-N 1 2 269.266 3.637 20 70 CHIDLO Cc1cc(Cl)cc2nc(SCCn3cc[nH+]c3)oc21 ZINC000160142471 327596635 /nfs/dbraw/zinc/59/66/35/327596635.db2.gz IBKBMHIZTFCWHV-UHFFFAOYSA-N 1 2 293.779 3.778 20 70 CHIDLO c1ccc([C@@H]2C[C@@H](Nc3cc[nH+]c(C4CC4)n3)CCO2)cc1 ZINC000160633567 261220725 /nfs/dbraw/zinc/22/07/25/261220725.db2.gz MLPBBXJEXFPLOC-HOTGVXAUSA-N 1 2 295.386 3.686 20 70 CHIDLO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000161474603 261247321 /nfs/dbraw/zinc/24/73/21/261247321.db2.gz YDRMWMFBDKYCKM-NSHDSACASA-N 1 2 292.814 3.501 20 70 CHIDLO C[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccccc1Cl ZINC000160825561 328088517 /nfs/dbraw/zinc/08/85/17/328088517.db2.gz VJIBABHKQIIVCY-UHFFFAOYSA-N 1 2 291.826 3.924 20 70 CHIDLO C[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccccc1Cl ZINC000160825561 328088518 /nfs/dbraw/zinc/08/85/18/328088518.db2.gz VJIBABHKQIIVCY-UHFFFAOYSA-N 1 2 291.826 3.924 20 70 CHIDLO Cc1cc(NC(=O)CC/C=C/c2ccccc2)cc[nH+]1 ZINC000159922880 327578919 /nfs/dbraw/zinc/57/89/19/327578919.db2.gz WSUQQSASVGAUCH-WEVVVXLNSA-N 1 2 266.344 3.822 20 70 CHIDLO C[N@H+](Cc1cncs1)Cc1ccccc1Br ZINC000160379336 523504921 /nfs/dbraw/zinc/50/49/21/523504921.db2.gz PNGAIBMWJZIOFL-UHFFFAOYSA-N 1 2 297.221 3.538 20 70 CHIDLO C[N@@H+](Cc1cncs1)Cc1ccccc1Br ZINC000160379336 523504931 /nfs/dbraw/zinc/50/49/31/523504931.db2.gz PNGAIBMWJZIOFL-UHFFFAOYSA-N 1 2 297.221 3.538 20 70 CHIDLO CCc1noc(C)c1CSCc1cn2ccccc2[nH+]1 ZINC000159830442 261195377 /nfs/dbraw/zinc/19/53/77/261195377.db2.gz UANMKYMJUZIWOV-UHFFFAOYSA-N 1 2 287.388 3.627 20 70 CHIDLO CCCn1c(C)nnc1C[NH2+][C@H](C)c1ccccc1Cl ZINC000161474734 261247327 /nfs/dbraw/zinc/24/73/27/261247327.db2.gz YDRMWMFBDKYCKM-LLVKDONJSA-N 1 2 292.814 3.501 20 70 CHIDLO C[C@H](CCn1cccn1)[NH2+][C@H](CC(C)(C)C)C(F)(F)F ZINC000159495083 327208199 /nfs/dbraw/zinc/20/81/99/327208199.db2.gz PEOMFHCRBCHYTK-VXGBXAGGSA-N 1 2 291.361 3.618 20 70 CHIDLO Cc1ccc(C[N@@H+](C)Cc2cnc(C(C)C)s2)o1 ZINC000160845007 328088262 /nfs/dbraw/zinc/08/82/62/328088262.db2.gz GJFPDMXJDJIIFL-UHFFFAOYSA-N 1 2 264.394 3.800 20 70 CHIDLO Cc1ccc(C[N@H+](C)Cc2cnc(C(C)C)s2)o1 ZINC000160845007 328088264 /nfs/dbraw/zinc/08/82/64/328088264.db2.gz GJFPDMXJDJIIFL-UHFFFAOYSA-N 1 2 264.394 3.800 20 70 CHIDLO CC(C)c1csc(C[NH2+][C@H](C)c2ccccn2)n1 ZINC000159390267 327176808 /nfs/dbraw/zinc/17/68/08/327176808.db2.gz NECFYZANOBMVLD-LLVKDONJSA-N 1 2 261.394 3.512 20 70 CHIDLO CC[C@@H]([NH2+]Cc1cc(C)on1)c1ccc(F)cc1F ZINC000160822436 261226977 /nfs/dbraw/zinc/22/69/77/261226977.db2.gz OOOVVOOGFZEMEH-CQSZACIVSA-N 1 2 266.291 3.502 20 70 CHIDLO c1cc2c(s1)CCC[C@H]2Nc1cc[nH+]c(C2CC2)n1 ZINC000161075679 264265513 /nfs/dbraw/zinc/26/55/13/264265513.db2.gz FOVVCHTZIUCYGI-GFCCVEGCSA-N 1 2 271.389 3.905 20 70 CHIDLO CC(C)c1csc(C[NH2+][C@@H](C)c2ccccn2)n1 ZINC000159390123 327176822 /nfs/dbraw/zinc/17/68/22/327176822.db2.gz NECFYZANOBMVLD-NSHDSACASA-N 1 2 261.394 3.512 20 70 CHIDLO c1cn(CCS[C@H]2CCCc3ccccc32)c[nH+]1 ZINC000160107268 327594854 /nfs/dbraw/zinc/59/48/54/327594854.db2.gz UDOUZFQEMLQKSV-HNNXBMFYSA-N 1 2 258.390 3.694 20 70 CHIDLO CC(C)n1ccnc1C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000160744538 520026905 /nfs/dbraw/zinc/02/69/05/520026905.db2.gz BVWPMSNUJIXLRV-GFCCVEGCSA-N 1 2 293.361 3.935 20 70 CHIDLO CC(C)n1ccnc1C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000160744538 520026913 /nfs/dbraw/zinc/02/69/13/520026913.db2.gz BVWPMSNUJIXLRV-GFCCVEGCSA-N 1 2 293.361 3.935 20 70 CHIDLO CC(C)n1cc[nH+]c1CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000160744538 520026922 /nfs/dbraw/zinc/02/69/22/520026922.db2.gz BVWPMSNUJIXLRV-GFCCVEGCSA-N 1 2 293.361 3.935 20 70 CHIDLO CC(C)c1nc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc[nH+]1 ZINC000160583074 264251528 /nfs/dbraw/zinc/25/15/28/264251528.db2.gz ZKOUTGYFBRCARG-HZPDHXFCSA-N 1 2 297.402 3.932 20 70 CHIDLO c1ccc2[nH+]c(N[C@@H]3CCO[C@H](C4CC4)C3)ccc2c1 ZINC000160376059 261212715 /nfs/dbraw/zinc/21/27/15/261212715.db2.gz MPGDIHNOSSUGDC-ZBFHGGJFSA-N 1 2 268.360 3.604 20 70 CHIDLO CC(C)c1nc(N[C@@H]2CCO[C@H](c3ccccc3)C2)cc[nH+]1 ZINC000160582820 264251587 /nfs/dbraw/zinc/25/15/87/264251587.db2.gz ZKOUTGYFBRCARG-CVEARBPZSA-N 1 2 297.402 3.932 20 70 CHIDLO CCn1nc(C)c(C[N@H+](C)Cc2ccccc2Cl)c1C ZINC000160818813 328087490 /nfs/dbraw/zinc/08/74/90/328087490.db2.gz ATRZBOQLFSLRFX-UHFFFAOYSA-N 1 2 291.826 3.805 20 70 CHIDLO CCn1nc(C)c(C[N@@H+](C)Cc2ccccc2Cl)c1C ZINC000160818813 328087492 /nfs/dbraw/zinc/08/74/92/328087492.db2.gz ATRZBOQLFSLRFX-UHFFFAOYSA-N 1 2 291.826 3.805 20 70 CHIDLO CCCn1c(C[N@H+](C)Cc2ccc(C)o2)nc2ccccc21 ZINC000160852694 328089234 /nfs/dbraw/zinc/08/92/34/328089234.db2.gz YLGSMBLFVHDSHV-UHFFFAOYSA-N 1 2 297.402 3.980 20 70 CHIDLO CCCn1c(C[N@@H+](C)Cc2ccc(C)o2)nc2ccccc21 ZINC000160852694 328089236 /nfs/dbraw/zinc/08/92/36/328089236.db2.gz YLGSMBLFVHDSHV-UHFFFAOYSA-N 1 2 297.402 3.980 20 70 CHIDLO CCc1nnc(C[NH2+][C@H](C)c2cccc(Cl)c2Cl)[nH]1 ZINC000160445872 522353184 /nfs/dbraw/zinc/35/31/84/522353184.db2.gz LNAHASFFLQPRSN-MRVPVSSYSA-N 1 2 299.205 3.525 20 70 CHIDLO Oc1ccc(C[N@H+](Cc2ccco2)Cc2ccccn2)cc1 ZINC000160409644 526344559 /nfs/dbraw/zinc/34/45/59/526344559.db2.gz DELXSJUYJLXBQA-UHFFFAOYSA-N 1 2 294.354 3.583 20 70 CHIDLO Oc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccn2)cc1 ZINC000160409644 526344565 /nfs/dbraw/zinc/34/45/65/526344565.db2.gz DELXSJUYJLXBQA-UHFFFAOYSA-N 1 2 294.354 3.583 20 70 CHIDLO COc1ccc2[nH+]c(N[C@H]3CCO[C@@H](C4CC4)C3)ccc2c1 ZINC000160463012 264247927 /nfs/dbraw/zinc/24/79/27/264247927.db2.gz LUVXFOVVHDPVEY-WMLDXEAASA-N 1 2 298.386 3.613 20 70 CHIDLO Cc1ccc(C[N@@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)o1 ZINC000160876524 328091080 /nfs/dbraw/zinc/09/10/80/328091080.db2.gz SZOIDWZDHSGVHR-UHFFFAOYSA-N 1 2 299.349 3.545 20 70 CHIDLO Cc1ccc(C[N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)o1 ZINC000160876524 328091081 /nfs/dbraw/zinc/09/10/81/328091081.db2.gz SZOIDWZDHSGVHR-UHFFFAOYSA-N 1 2 299.349 3.545 20 70 CHIDLO c1cn(CCS[C@@H]2CCCc3ccccc32)c[nH+]1 ZINC000160107404 327594897 /nfs/dbraw/zinc/59/48/97/327594897.db2.gz UDOUZFQEMLQKSV-OAHLLOKOSA-N 1 2 258.390 3.694 20 70 CHIDLO CC(C)n1cc[nH+]c1CN(C)[C@H](C)c1ccccc1F ZINC000160809564 330876417 /nfs/dbraw/zinc/87/64/17/330876417.db2.gz AWSMHHICEAXCIT-CYBMUJFWSA-N 1 2 275.371 3.796 20 70 CHIDLO CC[C@H](C(=O)Nc1cc[nH+]c(C)c1)c1ccc(F)cc1 ZINC000161458212 523804653 /nfs/dbraw/zinc/80/46/53/523804653.db2.gz YEOYRPXJRRVKSN-HNNXBMFYSA-N 1 2 272.323 3.661 20 70 CHIDLO COc1ccccc1C[N@H+](C)Cc1csc(C2CC2)n1 ZINC000161280093 261243472 /nfs/dbraw/zinc/24/34/72/261243472.db2.gz NKPJIPMKKPEBGJ-UHFFFAOYSA-N 1 2 288.416 3.661 20 70 CHIDLO COc1ccccc1C[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000161280093 261243474 /nfs/dbraw/zinc/24/34/74/261243474.db2.gz NKPJIPMKKPEBGJ-UHFFFAOYSA-N 1 2 288.416 3.661 20 70 CHIDLO CCCc1csc(Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000160642539 327635734 /nfs/dbraw/zinc/63/57/34/327635734.db2.gz ZEMGYCHMMOXTIY-UHFFFAOYSA-N 1 2 297.427 3.931 20 70 CHIDLO CCCn1cc(C[N@H+](C)Cc2ccccc2Cl)cn1 ZINC000160819712 328087662 /nfs/dbraw/zinc/08/76/62/328087662.db2.gz JDCYBUXLCFMMJT-UHFFFAOYSA-N 1 2 277.799 3.579 20 70 CHIDLO CCCn1cc(C[N@@H+](C)Cc2ccccc2Cl)cn1 ZINC000160819712 328087663 /nfs/dbraw/zinc/08/76/63/328087663.db2.gz JDCYBUXLCFMMJT-UHFFFAOYSA-N 1 2 277.799 3.579 20 70 CHIDLO Cc1ccc(C[N@@H+](C)Cc2nc3c(s2)C[C@@H](C)CC3)o1 ZINC000160860312 328089460 /nfs/dbraw/zinc/08/94/60/328089460.db2.gz FXLWZUQLWVOKGB-NSHDSACASA-N 1 2 290.432 3.801 20 70 CHIDLO Cc1ccc(C[N@H+](C)Cc2nc3c(s2)C[C@@H](C)CC3)o1 ZINC000160860312 328089461 /nfs/dbraw/zinc/08/94/61/328089461.db2.gz FXLWZUQLWVOKGB-NSHDSACASA-N 1 2 290.432 3.801 20 70 CHIDLO Cc1ccc(C[N@@H+](C)Cc2cnc(C3CCC3)s2)o1 ZINC000160873531 328089895 /nfs/dbraw/zinc/08/98/95/328089895.db2.gz MDLBXTQGMWECGT-UHFFFAOYSA-N 1 2 276.405 3.944 20 70 CHIDLO Cc1ccc(C[N@H+](C)Cc2cnc(C3CCC3)s2)o1 ZINC000160873531 328089896 /nfs/dbraw/zinc/08/98/96/328089896.db2.gz MDLBXTQGMWECGT-UHFFFAOYSA-N 1 2 276.405 3.944 20 70 CHIDLO c1ccc([C@H]2C[C@H](Nc3cc[nH+]c(C4CC4)n3)CCO2)cc1 ZINC000160633424 261220947 /nfs/dbraw/zinc/22/09/47/261220947.db2.gz MLPBBXJEXFPLOC-HZPDHXFCSA-N 1 2 295.386 3.686 20 70 CHIDLO Cc1ccc(C[N@@H+](C)Cc2nc3c(s2)C[C@H](C)CC3)o1 ZINC000160860179 328089417 /nfs/dbraw/zinc/08/94/17/328089417.db2.gz FXLWZUQLWVOKGB-LLVKDONJSA-N 1 2 290.432 3.801 20 70 CHIDLO Cc1ccc(C[N@H+](C)Cc2nc3c(s2)C[C@H](C)CC3)o1 ZINC000160860179 328089419 /nfs/dbraw/zinc/08/94/19/328089419.db2.gz FXLWZUQLWVOKGB-LLVKDONJSA-N 1 2 290.432 3.801 20 70 CHIDLO C[C@H](c1ccco1)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000161501940 261248396 /nfs/dbraw/zinc/24/83/96/261248396.db2.gz RUSMHWPJOGUHBY-SNVBAGLBSA-N 1 2 262.378 3.807 20 70 CHIDLO C[C@H](c1ccco1)[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000161501940 261248399 /nfs/dbraw/zinc/24/83/99/261248399.db2.gz RUSMHWPJOGUHBY-SNVBAGLBSA-N 1 2 262.378 3.807 20 70 CHIDLO Cc1cc2ccccc2[nH+]c1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160354577 264242168 /nfs/dbraw/zinc/24/21/68/264242168.db2.gz HUHOSIJIGLMCPM-DOTOQJQBSA-N 1 2 282.387 3.913 20 70 CHIDLO Cc1ccc(C[N@@H+](C)Cc2cnc(C)n2-c2ccccc2)o1 ZINC000160859626 328089470 /nfs/dbraw/zinc/08/94/70/328089470.db2.gz RZKMBIQLIODKMW-UHFFFAOYSA-N 1 2 295.386 3.714 20 70 CHIDLO Cc1ccc(C[N@H+](C)Cc2cnc(C)n2-c2ccccc2)o1 ZINC000160859626 328089472 /nfs/dbraw/zinc/08/94/72/328089472.db2.gz RZKMBIQLIODKMW-UHFFFAOYSA-N 1 2 295.386 3.714 20 70 CHIDLO COc1ccccc1CCNc1ccc2ccccc2[nH+]1 ZINC000217524137 333121229 /nfs/dbraw/zinc/12/12/29/333121229.db2.gz DPDLYJVUEBOBSC-UHFFFAOYSA-N 1 2 278.355 3.898 20 70 CHIDLO Cc1nc(Cn2cc[nH+]c2)oc1-c1ccc(Cl)cc1 ZINC000160612785 526942982 /nfs/dbraw/zinc/94/29/82/526942982.db2.gz UYMGMLSVQCYMKW-UHFFFAOYSA-N 1 2 273.723 3.548 20 70 CHIDLO COc1ccc2[nH+]c(N[C@@H]3CCOC(C)(C)C3)ccc2c1 ZINC000160683268 264254926 /nfs/dbraw/zinc/25/49/26/264254926.db2.gz AZNPVBJZDBMUJA-CYBMUJFWSA-N 1 2 286.375 3.613 20 70 CHIDLO CCc1nnc(C[NH2+][C@H](c2ccccc2Cl)C(C)C)[nH]1 ZINC000160443233 522356589 /nfs/dbraw/zinc/35/65/89/522356589.db2.gz MWKJWENGHCBKJV-HNNXBMFYSA-N 1 2 292.814 3.507 20 70 CHIDLO c1ccc2[nH+]c(N[C@H]3CCO[C@@H](C4CC4)C3)ccc2c1 ZINC000160376461 261212533 /nfs/dbraw/zinc/21/25/33/261212533.db2.gz MPGDIHNOSSUGDC-GOEBONIOSA-N 1 2 268.360 3.604 20 70 CHIDLO Cc1ccc(C[N@@H+](C)Cc2c(Cl)nc3ccccn32)o1 ZINC000160845693 261228414 /nfs/dbraw/zinc/22/84/14/261228414.db2.gz JDQMDRGRABMHCX-UHFFFAOYSA-N 1 2 289.766 3.521 20 70 CHIDLO Cc1ccc(C[N@H+](C)Cc2c(Cl)nc3ccccn32)o1 ZINC000160845693 261228415 /nfs/dbraw/zinc/22/84/15/261228415.db2.gz JDQMDRGRABMHCX-UHFFFAOYSA-N 1 2 289.766 3.521 20 70 CHIDLO Cc1ccccc1C[N@H+](C)Cc1csc(C2CC2)n1 ZINC000161282031 261242994 /nfs/dbraw/zinc/24/29/94/261242994.db2.gz ILQWCXZXGWOCQR-UHFFFAOYSA-N 1 2 272.417 3.961 20 70 CHIDLO Cc1ccccc1C[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000161282031 261242995 /nfs/dbraw/zinc/24/29/95/261242995.db2.gz ILQWCXZXGWOCQR-UHFFFAOYSA-N 1 2 272.417 3.961 20 70 CHIDLO Cc1cccc(C)c1C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000160326318 264242092 /nfs/dbraw/zinc/24/20/92/264242092.db2.gz HMRRQUJTQJNWRN-CYBMUJFWSA-N 1 2 287.407 3.835 20 70 CHIDLO COc1ccc2[nH+]c(N[C@@H]3CCO[C@@H](C4CC4)C3)ccc2c1 ZINC000160462883 264247917 /nfs/dbraw/zinc/24/79/17/264247917.db2.gz LUVXFOVVHDPVEY-RHSMWYFYSA-N 1 2 298.386 3.613 20 70 CHIDLO Cc1nn(C)cc1C[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000160749550 261225190 /nfs/dbraw/zinc/22/51/90/261225190.db2.gz BTHSBDTUSXINBJ-UHFFFAOYSA-N 1 2 298.217 3.667 20 70 CHIDLO Cc1nn(C)cc1C[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000160749550 261225191 /nfs/dbraw/zinc/22/51/91/261225191.db2.gz BTHSBDTUSXINBJ-UHFFFAOYSA-N 1 2 298.217 3.667 20 70 CHIDLO Cc1cccc(C)c1C[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000160326206 264242073 /nfs/dbraw/zinc/24/20/73/264242073.db2.gz HMRRQUJTQJNWRN-ZDUSSCGKSA-N 1 2 287.407 3.835 20 70 CHIDLO c1cc2c(s1)CCC[C@@H]2Nc1cc[nH+]c(C2CC2)n1 ZINC000161075747 264265646 /nfs/dbraw/zinc/26/56/46/264265646.db2.gz FOVVCHTZIUCYGI-LBPRGKRZSA-N 1 2 271.389 3.905 20 70 CHIDLO Cc1ncccc1C[N@@H+](C)Cc1ccccc1Cl ZINC000160824070 328088514 /nfs/dbraw/zinc/08/85/14/328088514.db2.gz TZXZWNQKTTVQBG-UHFFFAOYSA-N 1 2 260.768 3.675 20 70 CHIDLO Cc1ncccc1C[N@H+](C)Cc1ccccc1Cl ZINC000160824070 328088515 /nfs/dbraw/zinc/08/85/15/328088515.db2.gz TZXZWNQKTTVQBG-UHFFFAOYSA-N 1 2 260.768 3.675 20 70 CHIDLO Cc1ccc(C[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)o1 ZINC000160878663 328091271 /nfs/dbraw/zinc/09/12/71/328091271.db2.gz GPRLNIGDZDECAJ-UHFFFAOYSA-N 1 2 281.359 3.610 20 70 CHIDLO Cc1ccc(C[N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)o1 ZINC000160878663 328091273 /nfs/dbraw/zinc/09/12/73/328091273.db2.gz GPRLNIGDZDECAJ-UHFFFAOYSA-N 1 2 281.359 3.610 20 70 CHIDLO Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000216700500 329299570 /nfs/dbraw/zinc/29/95/70/329299570.db2.gz DQWHMXAAPYKFBX-SFHVURJKSA-N 1 2 285.362 3.708 20 70 CHIDLO Cc1ccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000216700500 329299572 /nfs/dbraw/zinc/29/95/72/329299572.db2.gz DQWHMXAAPYKFBX-SFHVURJKSA-N 1 2 285.362 3.708 20 70 CHIDLO COc1ccc(C[N@H+](C)Cc2csc(C3CC3)n2)cc1 ZINC000161275672 261241827 /nfs/dbraw/zinc/24/18/27/261241827.db2.gz CZWSIAIHKKHKOF-UHFFFAOYSA-N 1 2 288.416 3.661 20 70 CHIDLO COc1ccc(C[N@@H+](C)Cc2csc(C3CC3)n2)cc1 ZINC000161275672 261241828 /nfs/dbraw/zinc/24/18/28/261241828.db2.gz CZWSIAIHKKHKOF-UHFFFAOYSA-N 1 2 288.416 3.661 20 70 CHIDLO COc1ccc2[nH+]c(N[C@H]3CCO[C@H](C4CC4)C3)ccc2c1 ZINC000160462790 264247961 /nfs/dbraw/zinc/24/79/61/264247961.db2.gz LUVXFOVVHDPVEY-YOEHRIQHSA-N 1 2 298.386 3.613 20 70 CHIDLO Cc1cc2ccccc2[nH+]c1N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160354181 264242417 /nfs/dbraw/zinc/24/24/17/264242417.db2.gz HUHOSIJIGLMCPM-WBVHZDCISA-N 1 2 282.387 3.913 20 70 CHIDLO Cc1ccc(CCC(=O)Nc2cc[nH+]c(C)c2)c(C)c1 ZINC000217477098 329059335 /nfs/dbraw/zinc/05/93/35/329059335.db2.gz TUSKSEVOEBMNOT-UHFFFAOYSA-N 1 2 268.360 3.578 20 70 CHIDLO CCc1nnc(C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)[nH]1 ZINC000160445739 522349801 /nfs/dbraw/zinc/34/98/01/522349801.db2.gz LNAHASFFLQPRSN-QMMMGPOBSA-N 1 2 299.205 3.525 20 70 CHIDLO