smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)Cc1cc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)ccc1OC ZINC000012480880 520743416 /nfs/dbraw/zinc/74/34/16/520743416.db2.gz SWFPGDLVJWRTLK-KRWDZBQOSA-N 1 1 442.554 5.160 50 10 IKCAMO CC[NH+](CC)Cc1cc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)ccc1OC ZINC000012480886 520744469 /nfs/dbraw/zinc/74/44/69/520744469.db2.gz SWFPGDLVJWRTLK-QGZVFWFLSA-N 1 1 442.554 5.160 50 10 IKCAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1c(O)ccc3ccccc31)CC2 ZINC000013073391 556454351 /nfs/dbraw/zinc/45/43/51/556454351.db2.gz DKBOUTGJTQJYSO-NDEPHWFRSA-N 1 1 425.528 5.710 50 10 IKCAMO CCOc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1O ZINC000015070449 556495352 /nfs/dbraw/zinc/49/53/52/556495352.db2.gz QURBKXHDSIQEOM-QGZVFWFLSA-N 1 1 445.485 5.579 50 10 IKCAMO COc1ccc(O)c(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)c1 ZINC000016672204 556621902 /nfs/dbraw/zinc/62/19/02/556621902.db2.gz YIKOBSATCXWBPI-VWLOTQADSA-N 1 1 439.939 5.219 50 10 IKCAMO COc1ccc(O)c(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)c1 ZINC000016672204 556621904 /nfs/dbraw/zinc/62/19/04/556621904.db2.gz YIKOBSATCXWBPI-VWLOTQADSA-N 1 1 439.939 5.219 50 10 IKCAMO COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1O ZINC000042942878 556660085 /nfs/dbraw/zinc/66/00/85/556660085.db2.gz BYVIUVFLQOEUMC-MRXNPFEDSA-N 1 1 431.458 5.189 50 10 IKCAMO COc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1O ZINC000042942875 556660211 /nfs/dbraw/zinc/66/02/11/556660211.db2.gz BYVIUVFLQOEUMC-INIZCTEOSA-N 1 1 431.458 5.189 50 10 IKCAMO CC(C)C(=O)N(C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1c1cccc(F)c1)C(C)C ZINC000248157196 556669794 /nfs/dbraw/zinc/66/97/94/556669794.db2.gz ZOJNKXBHUINZCU-OZXSUGGESA-N 1 1 439.619 5.000 50 10 IKCAMO Cc1oc2ccc(O)c(C[N@@H+]3CCCC[C@@H]3C)c2c1C(=O)Nc1cccc(Cl)c1C ZINC000005182559 556722623 /nfs/dbraw/zinc/72/26/23/556722623.db2.gz DUQJXYCJYIKCIP-AWEZNQCLSA-N 1 1 426.944 6.035 50 10 IKCAMO O=C1N=C(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1ccccc1 ZINC000019831066 556926424 /nfs/dbraw/zinc/92/64/24/556926424.db2.gz HPJLJMXSZHLXQQ-GFMRDNFCSA-N 1 1 439.584 5.064 50 10 IKCAMO CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524730237 557369539 /nfs/dbraw/zinc/36/95/39/557369539.db2.gz AOENXCFCECBJAP-PGRDOPGGSA-N 1 1 447.019 5.191 50 10 biogenic IKCAMO CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[NH+](C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524730237 557369543 /nfs/dbraw/zinc/36/95/43/557369543.db2.gz AOENXCFCECBJAP-PGRDOPGGSA-N 1 1 447.019 5.191 50 10 biogenic IKCAMO CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[NH+](C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524730237 557369546 /nfs/dbraw/zinc/36/95/46/557369546.db2.gz AOENXCFCECBJAP-PGRDOPGGSA-N 1 1 447.019 5.191 50 10 biogenic IKCAMO COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[N@H+]4CCC[C@H](C)C4)c32)cc1Cl ZINC000008612132 562959031 /nfs/dbraw/zinc/95/90/31/562959031.db2.gz ZHSGQVLTFASPHA-AWEZNQCLSA-N 1 1 442.943 5.593 50 10 IKCAMO Cc1oc2ccc(O)c(C[N@@H+](C)Cc3ccccc3)c2c1C(=O)Nc1cccc(Cl)c1C ZINC000008612206 562959065 /nfs/dbraw/zinc/95/90/65/562959065.db2.gz FBSPXSVZUCRMJH-UHFFFAOYSA-N 1 1 448.950 6.293 50 10 aggregator IKCAMO Cc1ccc([C@@H](c2cc(Cl)c3cccnc3c2O)[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000000952306 568645564 /nfs/dbraw/zinc/64/55/64/568645564.db2.gz DNDQEZSOXMZIBM-VWLOTQADSA-N 1 1 444.966 5.209 50 10 IKCAMO CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000057316915 569430970 /nfs/dbraw/zinc/43/09/70/569430970.db2.gz FHTHNPSINGICMV-ARMFNRFLSA-N 1 1 427.032 6.055 50 10 IKCAMO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000003338189 569446715 /nfs/dbraw/zinc/44/67/15/569446715.db2.gz QHYBRJKMBJXNSG-UHFFFAOYSA-N 1 1 445.382 5.100 50 10 IKCAMO COc1cc(C2SCCS2)cc(C[N@@H+](C)Cc2ccccc2N2CCCCC2)c1O ZINC000009647945 569556477 /nfs/dbraw/zinc/55/64/77/569556477.db2.gz QTVJHIKFASJSOZ-UHFFFAOYSA-N 1 1 444.666 5.502 50 10 IKCAMO CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccc1)[NH+]1CCOCC1)c(O)c1ccccc21 ZINC000021539884 521402211 /nfs/dbraw/zinc/40/22/11/521402211.db2.gz CYCUGYXZROHKEM-XMMPIXPASA-N 1 1 445.515 5.198 50 10 IKCAMO CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccn1)[NH+]1CCCCC1)c(O)c1ccccc21 ZINC000012555251 521402417 /nfs/dbraw/zinc/40/24/17/521402417.db2.gz CNPNLCDEPHHLAW-XMMPIXPASA-N 1 1 444.531 5.747 50 10 IKCAMO CC[NH+]1CCN(C(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCCC4)cc2)CC1 ZINC000020489507 521670480 /nfs/dbraw/zinc/67/04/80/521670480.db2.gz QIYYKPKPMIWMHH-UHFFFAOYSA-N 1 1 427.592 5.191 50 10 IKCAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(-c3nc4ccccc4s3)ccc1O)CC2 ZINC000012328846 523033248 /nfs/dbraw/zinc/03/32/48/523033248.db2.gz ZAARZCNXLVXRNU-UHFFFAOYSA-N 1 1 432.545 5.244 50 10 IKCAMO COc1cccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1O ZINC000012717046 525937465 /nfs/dbraw/zinc/93/74/65/525937465.db2.gz QWPLLJKIHAAMEE-MRXNPFEDSA-N 1 1 436.474 5.051 50 10 IKCAMO O=C1c2ccccc2C(=O)C1(Nc1ccc2c(c1)[nH+]cn2C1CCCCC1)c1ccccc1 ZINC000012376029 527128808 /nfs/dbraw/zinc/12/88/08/527128808.db2.gz IJANUYSVSCFLBJ-UHFFFAOYSA-N 1 1 435.527 5.928 50 10 IKCAMO CC(C)C(=O)N(C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1c1cccc(F)c1)C(C)C ZINC000034740806 555884037 /nfs/dbraw/zinc/88/40/37/555884037.db2.gz ZOJNKXBHUINZCU-ZEQKJWHPSA-N 1 1 439.619 5.000 50 10 IKCAMO Cc1cc[nH+]c(N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3ccc(C)nc3c2O)c1 ZINC000008453096 556183857 /nfs/dbraw/zinc/18/38/57/556183857.db2.gz QLBQGAWRCKNQDY-OAQYLSRUSA-N 1 1 434.883 5.715 50 10 IKCAMO CCOc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1O ZINC000015070451 556495298 /nfs/dbraw/zinc/49/52/98/556495298.db2.gz QURBKXHDSIQEOM-KRWDZBQOSA-N 1 1 445.485 5.579 50 10 IKCAMO Cc1oc2ccc(O)c(C[N@@H+]3CCCC[C@H]3C)c2c1C(=O)Nc1cccc(Cl)c1C ZINC000005182562 556722542 /nfs/dbraw/zinc/72/25/42/556722542.db2.gz DUQJXYCJYIKCIP-CQSZACIVSA-N 1 1 426.944 6.035 50 10 IKCAMO Cc1oc2ccc(O)c(C[N@@H+]3CCC[C@@H](C)C3)c2c1C(=O)Nc1cccc(Cl)c1C ZINC000005182612 556722578 /nfs/dbraw/zinc/72/25/78/556722578.db2.gz KOVODEPKOKLRNT-CQSZACIVSA-N 1 1 426.944 5.893 50 10 IKCAMO CCOc1cccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1O ZINC000055060501 556733194 /nfs/dbraw/zinc/73/31/94/556733194.db2.gz MVACPMURBDJARJ-QHCPKHFHSA-N 1 1 437.628 5.233 50 10 IKCAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1c(O)ccc3ccncc31)CC2 ZINC000024527566 557150006 /nfs/dbraw/zinc/15/00/06/557150006.db2.gz QYNQDUWCFQODRA-HHHXNRCGSA-N 1 1 426.516 5.105 50 10 IKCAMO COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[N@H+]4CCC[C@@H](C)C4)c32)cc1Cl ZINC000008612133 562958987 /nfs/dbraw/zinc/95/89/87/562958987.db2.gz ZHSGQVLTFASPHA-CQSZACIVSA-N 1 1 442.943 5.593 50 10 IKCAMO CC[N@@H+](Cc1ccccc1)Cc1c2c(ccc1O)oc(C)c2C(=O)Nc1ccc(C)cc1C ZINC000008612208 562959057 /nfs/dbraw/zinc/95/90/57/562959057.db2.gz OBAHQNLKKZTYLW-UHFFFAOYSA-N 1 1 442.559 6.338 50 10 IKCAMO Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000000980757 568648732 /nfs/dbraw/zinc/64/87/32/568648732.db2.gz RBXVTBRREZJBBJ-HMAPJEAMSA-N 1 1 444.560 5.284 50 10 IKCAMO COc1ccc(C(=O)c2coc3ccc(O)c(C[N@H+](C)Cc4ccccc4)c23)cc1OC ZINC000218035400 569456089 /nfs/dbraw/zinc/45/60/89/569456089.db2.gz WFFBAQJTUZWJPU-UHFFFAOYSA-N 1 1 431.488 5.019 50 10 biogenic IKCAMO COc1ccc(C(=O)c2coc3ccc(O)c(C[N@@H+](C)Cc4ccccc4)c23)cc1OC ZINC000218035400 569456090 /nfs/dbraw/zinc/45/60/90/569456090.db2.gz WFFBAQJTUZWJPU-UHFFFAOYSA-N 1 1 431.488 5.019 50 10 biogenic IKCAMO Cc1oc2ccc(O)c(C[N@@H+]3CCC[C@H](C)C3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008717868 569471177 /nfs/dbraw/zinc/47/11/77/569471177.db2.gz ZBNYQXNSNSVCTO-AWEZNQCLSA-N 1 1 446.469 5.950 50 10 IKCAMO Cc1ccc([C@H](c2cc(Cl)c3cccnc3c2O)[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000006154212 132276330 /nfs/dbraw/zinc/27/63/30/132276330.db2.gz DNDQEZSOXMZIBM-RUZDIDTESA-N 1 1 444.966 5.209 50 10 IKCAMO CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccc1)[NH+]1CCOCC1)c(O)c1ccccc21 ZINC000021539882 521402356 /nfs/dbraw/zinc/40/23/56/521402356.db2.gz CYCUGYXZROHKEM-DEOSSOPVSA-N 1 1 445.515 5.198 50 10 IKCAMO Cc1ccc([C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3)C[C@@H]2CN(C(=O)C(C)C)C(C)C)cc1 ZINC000034740722 555884074 /nfs/dbraw/zinc/88/40/74/555884074.db2.gz FOGLDXPNOFDSBR-VPUSJEBWSA-N 1 1 435.656 5.170 50 10 IKCAMO CCOc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)cc1OCC ZINC000006388917 556086292 /nfs/dbraw/zinc/08/62/92/556086292.db2.gz RGSVHTDNNWJMKH-XMMPIXPASA-N 1 1 429.520 5.643 50 10 IKCAMO CCOc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc3ccc(C)nc3c2O)ccc1OC ZINC000006387288 556086330 /nfs/dbraw/zinc/08/63/30/556086330.db2.gz DFGDEHMIIPYKSL-DEOSSOPVSA-N 1 1 429.520 5.561 50 10 IKCAMO CCOc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc3ccc(C)nc3c2O)cc1OCC ZINC000008453120 556183800 /nfs/dbraw/zinc/18/38/00/556183800.db2.gz NUENVLGLYLEKBR-RUZDIDTESA-N 1 1 443.547 5.951 50 10 IKCAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1c(O)ccc3ccccc31)CC2 ZINC000013073393 556454411 /nfs/dbraw/zinc/45/44/11/556454411.db2.gz DKBOUTGJTQJYSO-MUUNZHRXSA-N 1 1 425.528 5.710 50 10 IKCAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000016672210 556621958 /nfs/dbraw/zinc/62/19/58/556621958.db2.gz ZLVPBCWNMROIEP-SANMLTNESA-N 1 1 436.983 5.571 50 10 IKCAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000016672210 556621960 /nfs/dbraw/zinc/62/19/60/556621960.db2.gz ZLVPBCWNMROIEP-SANMLTNESA-N 1 1 436.983 5.571 50 10 IKCAMO CN(C)c1ccc(C[N@H+]2CCc3sccc3[C@@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC000020431986 557016229 /nfs/dbraw/zinc/01/62/29/557016229.db2.gz NKWWPKOVJCNIIX-QFIPXVFZSA-N 1 1 432.511 5.860 50 10 IKCAMO CCOC(=O)c1c(C)oc2c1c([C@H](c1ccncc1)[NH+]1CCCCC1)c(O)c1ccccc21 ZINC000023224623 557116087 /nfs/dbraw/zinc/11/60/87/557116087.db2.gz ITNBSKCOYHEVGG-DEOSSOPVSA-N 1 1 444.531 5.747 50 10 IKCAMO CN(C)c1ccc(/C=C/C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000023477246 557363214 /nfs/dbraw/zinc/36/32/14/557363214.db2.gz XPSZFIULZVENTR-ONEGZZNKSA-N 1 1 447.573 5.451 50 10 IKCAMO Cc1oc2ccc(O)c(C[N@@H+](C)Cc3ccccc3)c2c1C(=O)Nc1ccc(C)cc1C ZINC000008612190 562959091 /nfs/dbraw/zinc/95/90/91/562959091.db2.gz XFIMPNBQYIHSLM-UHFFFAOYSA-N 1 1 428.532 5.948 50 10 IKCAMO Oc1c([C@@H](c2ccccn2)[NH+]2CCC(Cc3ccccc3)CC2)cc(Cl)c2cccnc12 ZINC000019879785 563023277 /nfs/dbraw/zinc/02/32/77/563023277.db2.gz OOEAPXRETVROJS-SANMLTNESA-N 1 1 443.978 6.033 50 10 IKCAMO CCOc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2ccc3ccc(C)nc3c2O)cc1OC ZINC000035111467 568820599 /nfs/dbraw/zinc/82/05/99/568820599.db2.gz IDCXHNCSAXMZOH-DEOSSOPVSA-N 1 1 429.520 5.561 50 10 IKCAMO COc1ccc2c(c1O)C[N@H+]1CCc3cc(OCc4ccccc4)c(OC)cc3[C@@H]1CC2 ZINC000096593975 569402063 /nfs/dbraw/zinc/40/20/63/569402063.db2.gz CBLFDKMWJCZGIZ-QHCPKHFHSA-N 1 1 431.532 5.034 50 10 IKCAMO COc1ccc2c(c1O)C[N@@H+]1CCc3cc(OCc4ccccc4)c(OC)cc3[C@@H]1CC2 ZINC000096593975 569402065 /nfs/dbraw/zinc/40/20/65/569402065.db2.gz CBLFDKMWJCZGIZ-QHCPKHFHSA-N 1 1 431.532 5.034 50 10 IKCAMO CCN(CC)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000057305020 569430660 /nfs/dbraw/zinc/43/06/60/569430660.db2.gz TWKNAOBWHJRTBP-XMMPIXPASA-N 1 1 446.620 5.007 50 10 IKCAMO CCN(CC)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000057305020 569430662 /nfs/dbraw/zinc/43/06/62/569430662.db2.gz TWKNAOBWHJRTBP-XMMPIXPASA-N 1 1 446.620 5.007 50 10 IKCAMO CCC[N@@H+](CC[C@]1(c2ccc(OC)cc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000003999352 569457586 /nfs/dbraw/zinc/45/75/86/569457586.db2.gz XZMRTMSMRYDEJS-NDEPHWFRSA-N 1 1 438.656 5.890 50 10 biogenic IKCAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1 ZINC000009406150 569530017 /nfs/dbraw/zinc/53/00/17/569530017.db2.gz DSBPTJNOYHHTOH-UHFFFAOYSA-N 1 1 443.635 5.875 50 10 IKCAMO CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccn1)[NH+]1CCCCC1)c(O)c1ccccc21 ZINC000012555250 521401288 /nfs/dbraw/zinc/40/12/88/521401288.db2.gz CNPNLCDEPHHLAW-DEOSSOPVSA-N 1 1 444.531 5.747 50 10 IKCAMO Cc1cc[nH+]c(N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3ccc(C)nc3c2O)c1 ZINC000008453095 556183731 /nfs/dbraw/zinc/18/37/31/556183731.db2.gz QLBQGAWRCKNQDY-NRFANRHFSA-N 1 1 434.883 5.715 50 10 IKCAMO COc1ccc(-c2cc(=O)oc3c(C)c(O)c(C[NH2+]Cc4ccccc4Cl)cc23)cc1 ZINC000008743385 556208139 /nfs/dbraw/zinc/20/81/39/556208139.db2.gz YAGFEBFXPMPOGE-UHFFFAOYSA-N 1 1 435.907 5.426 50 10 IKCAMO CCOc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2ccc3cccnc3c2O)cc1OCC ZINC000015015721 556484816 /nfs/dbraw/zinc/48/48/16/556484816.db2.gz GIWMLLDBFDPOEQ-XMMPIXPASA-N 1 1 429.520 5.643 50 10 IKCAMO Cc1ccc2ccc([C@H](Nc3cccc(C)[nH+]3)c3ccc(OC4CCCC4)cc3)c(O)c2n1 ZINC000015015895 556485167 /nfs/dbraw/zinc/48/51/67/556485167.db2.gz XPYSRKPOTZOHOF-AREMUKBSSA-N 1 1 439.559 6.475 50 10 IKCAMO Cc1cc[nH+]c(N[C@H](c2cccc(Br)c2)c2ccc3ccc(C)nc3c2O)c1 ZINC000015016655 556485858 /nfs/dbraw/zinc/48/58/58/556485858.db2.gz PZEUMJUWHZCRJQ-OAQYLSRUSA-N 1 1 434.337 5.916 50 10 IKCAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)c(O)c1 ZINC000016672155 556621935 /nfs/dbraw/zinc/62/19/35/556621935.db2.gz VMQTWCRNUUAREG-RUZDIDTESA-N 1 1 439.939 5.219 50 10 IKCAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)c(O)c1 ZINC000016672155 556621936 /nfs/dbraw/zinc/62/19/36/556621936.db2.gz VMQTWCRNUUAREG-RUZDIDTESA-N 1 1 439.939 5.219 50 10 IKCAMO COc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc3ccc(C)nc3c2O)cc(OC)c1OC ZINC000018190090 556686079 /nfs/dbraw/zinc/68/60/79/556686079.db2.gz PHJSFZUPVICELW-QHCPKHFHSA-N 1 1 445.519 5.180 50 10 IKCAMO COc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc3ccc(C)nc3c2O)cc(Cl)c1OC ZINC000018204295 556686638 /nfs/dbraw/zinc/68/66/38/556686638.db2.gz BITXZZNWWHVZPE-QFIPXVFZSA-N 1 1 449.938 5.824 50 10 IKCAMO CCC[NH+](CCC)Cc1c2c(ccc1O)oc(C)c2C(=O)Nc1cccc(Cl)c1C ZINC000005182456 556722690 /nfs/dbraw/zinc/72/26/90/556722690.db2.gz WDBKGGNGCDHPRX-UHFFFAOYSA-N 1 1 428.960 6.283 50 10 IKCAMO CN(C)c1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[NH+]2CCN(C)CC2)cc1 ZINC000019367190 556746395 /nfs/dbraw/zinc/74/63/95/556746395.db2.gz GEJZABYVUPBRRP-VWLOTQADSA-N 1 1 437.672 5.390 50 10 IKCAMO CC(C)C(=O)N(C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1c1cccc(F)c1)C(C)C ZINC000105050503 557474276 /nfs/dbraw/zinc/47/42/76/557474276.db2.gz ZOJNKXBHUINZCU-BVAGGSTKSA-N 1 1 439.619 5.000 50 10 IKCAMO Oc1c([C@H](c2ccccn2)[NH+]2CCC(Cc3ccccc3)CC2)cc(Cl)c2cccnc12 ZINC000019879783 563023246 /nfs/dbraw/zinc/02/32/46/563023246.db2.gz OOEAPXRETVROJS-AREMUKBSSA-N 1 1 443.978 6.033 50 10 IKCAMO Cc1oc2ccc(O)c(C[N@@H+]3CCCC[C@H]3C)c2c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008717867 569471222 /nfs/dbraw/zinc/47/12/22/569471222.db2.gz CBZDVGFZHFVWHL-CQSZACIVSA-N 1 1 446.469 6.092 50 10 IKCAMO Cc1ccc([C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3)C[C@H]2CN(C(=O)C(C)C)C(C)C)cc1 ZINC000245326510 569503630 /nfs/dbraw/zinc/50/36/30/569503630.db2.gz FOGLDXPNOFDSBR-BDYUSTAISA-N 1 1 435.656 5.170 50 10 IKCAMO CC[NH+]1CCN(c2cc(Nc3ccc(F)cc3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000003741962 132267916 /nfs/dbraw/zinc/26/79/16/132267916.db2.gz JXRQWJKHOBVYEI-UHFFFAOYSA-N 1 1 442.494 5.064 50 10 IKCAMO CC[NH+]1CCN(c2cc(Nc3cccc(F)c3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000003741961 132267964 /nfs/dbraw/zinc/26/79/64/132267964.db2.gz FOTXOWITEVHKEO-UHFFFAOYSA-N 1 1 442.494 5.064 50 10 IKCAMO CCOc1cccc([C@H](Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)c1OC ZINC000002470503 555783155 /nfs/dbraw/zinc/78/31/55/555783155.db2.gz CBMCUGPDDZTZAO-XMMPIXPASA-N 1 1 429.520 5.561 50 10 IKCAMO Cc1ccc([C@H]2C[N@H+](Cc3ccc(N(C)C)cc3)C[C@@H]2CN(C(=O)C(C)C)C(C)C)cc1 ZINC000034740723 555884033 /nfs/dbraw/zinc/88/40/33/555884033.db2.gz FOGLDXPNOFDSBR-XNMGPUDCSA-N 1 1 435.656 5.170 50 10 IKCAMO CCOc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)cc1OCC ZINC000006388882 556086199 /nfs/dbraw/zinc/08/61/99/556086199.db2.gz RGSVHTDNNWJMKH-DEOSSOPVSA-N 1 1 429.520 5.643 50 10 IKCAMO Cc1cc[nH+]c(N[C@@H](c2cccc(OCc3ccccc3)c2)c2ccc3cccnc3c2O)c1 ZINC000008452686 556183063 /nfs/dbraw/zinc/18/30/63/556183063.db2.gz YGDWDKVACVMXAO-MHZLTWQESA-N 1 1 447.538 6.424 50 10 IKCAMO CCOc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2ccc3ccc(C)nc3c2O)cc1OCC ZINC000008453119 556183746 /nfs/dbraw/zinc/18/37/46/556183746.db2.gz NUENVLGLYLEKBR-VWLOTQADSA-N 1 1 443.547 5.951 50 10 IKCAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1 ZINC000014997527 556478709 /nfs/dbraw/zinc/47/87/09/556478709.db2.gz NLIGNKKAIYPFNJ-MRXNPFEDSA-N 1 1 431.458 5.189 50 10 IKCAMO Cc1cc[nH+]c(N[C@H](c2ccc(OC3CCCC3)cc2)c2ccc3ccc(C)nc3c2O)c1 ZINC000015016010 556485213 /nfs/dbraw/zinc/48/52/13/556485213.db2.gz VNZDOJNNZBOYJL-AREMUKBSSA-N 1 1 439.559 6.475 50 10 IKCAMO COc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)c(OC)c1OC ZINC000018188422 556686114 /nfs/dbraw/zinc/68/61/14/556686114.db2.gz PWOPJJWARHVWIL-QHCPKHFHSA-N 1 1 445.519 5.180 50 10 IKCAMO CCOc1cccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1O ZINC000055060502 556733080 /nfs/dbraw/zinc/73/30/80/556733080.db2.gz MVACPMURBDJARJ-HSZRJFAPSA-N 1 1 437.628 5.233 50 10 IKCAMO CN(C)c1ccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[NH+]2CCN(C)CC2)cc1 ZINC000019367189 556746328 /nfs/dbraw/zinc/74/63/28/556746328.db2.gz GEJZABYVUPBRRP-RUZDIDTESA-N 1 1 437.672 5.390 50 10 IKCAMO CN(C)c1ccc(C[N@H+]2CCc3sccc3[C@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC000020431988 557016198 /nfs/dbraw/zinc/01/61/98/557016198.db2.gz NKWWPKOVJCNIIX-JOCHJYFZSA-N 1 1 432.511 5.860 50 10 IKCAMO CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccncc1)[NH+]1CCCCC1)c(O)c1ccccc21 ZINC000023224624 557115937 /nfs/dbraw/zinc/11/59/37/557115937.db2.gz ITNBSKCOYHEVGG-XMMPIXPASA-N 1 1 444.531 5.747 50 10 IKCAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1c(O)ccc3ccncc31)CC2 ZINC000024527563 557150172 /nfs/dbraw/zinc/15/01/72/557150172.db2.gz QYNQDUWCFQODRA-MHZLTWQESA-N 1 1 426.516 5.105 50 10 IKCAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC000022023269 568891604 /nfs/dbraw/zinc/89/16/04/568891604.db2.gz PKXNQUUEFVHQSL-XMMPIXPASA-N 1 1 444.358 5.864 50 10 IKCAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC000022023269 568891606 /nfs/dbraw/zinc/89/16/06/568891606.db2.gz PKXNQUUEFVHQSL-XMMPIXPASA-N 1 1 444.358 5.864 50 10 IKCAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC000022023268 568891621 /nfs/dbraw/zinc/89/16/21/568891621.db2.gz PKXNQUUEFVHQSL-DEOSSOPVSA-N 1 1 444.358 5.864 50 10 IKCAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC000022023268 568891623 /nfs/dbraw/zinc/89/16/23/568891623.db2.gz PKXNQUUEFVHQSL-DEOSSOPVSA-N 1 1 444.358 5.864 50 10 IKCAMO CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000057316911 569430916 /nfs/dbraw/zinc/43/09/16/569430916.db2.gz FHTHNPSINGICMV-DMDYGQEQSA-N 1 1 427.032 6.055 50 10 IKCAMO Cc1oc2ccc(O)c(C[N@@H+]3CCCC[C@@H]3C)c2c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008717866 569471211 /nfs/dbraw/zinc/47/12/11/569471211.db2.gz CBZDVGFZHFVWHL-AWEZNQCLSA-N 1 1 446.469 6.092 50 10 IKCAMO Cc1cc2c(n1-c1ccc(C(=O)NCCC[N@@H+](Cc3ccccc3)C(C)C)cc1)CCCC2 ZINC000009153308 569508070 /nfs/dbraw/zinc/50/80/70/569508070.db2.gz OUTKFVZPVAYQAD-UHFFFAOYSA-N 1 1 443.635 5.695 50 10 IKCAMO COc1cccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1O ZINC000012717044 525938022 /nfs/dbraw/zinc/93/80/22/525938022.db2.gz QWPLLJKIHAAMEE-INIZCTEOSA-N 1 1 436.474 5.051 50 10 IKCAMO O=C1N=C(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1cccs1 ZINC000035376164 527045311 /nfs/dbraw/zinc/04/53/11/527045311.db2.gz UFIKSCMEOFNNCY-PYCFMQQDSA-N 1 1 445.613 5.126 50 10 IKCAMO Cc1ccc2ccc([C@@H](Nc3cccc(C)[nH+]3)c3ccc(OC4CCCC4)cc3)c(O)c2n1 ZINC000002874257 555851326 /nfs/dbraw/zinc/85/13/26/555851326.db2.gz XPYSRKPOTZOHOF-SANMLTNESA-N 1 1 439.559 6.475 50 10 IKCAMO CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000013758406 556301164 /nfs/dbraw/zinc/30/11/64/556301164.db2.gz FHTHNPSINGICMV-LGPLSSKUSA-N 1 1 427.032 6.055 50 10 IKCAMO CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000013758403 556301191 /nfs/dbraw/zinc/30/11/91/556301191.db2.gz FHTHNPSINGICMV-SKBVVQJISA-N 1 1 427.032 6.055 50 10 IKCAMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(C(F)(F)F)c2)C1 ZINC000015004794 556481080 /nfs/dbraw/zinc/48/10/80/556481080.db2.gz ZRRDMCXBCVKPQL-MRXNPFEDSA-N 1 1 431.458 5.189 50 10 IKCAMO CCOc1ccc([C@H](Nc2cccc(C)[nH+]2)c2ccc3cccnc3c2O)cc1OCC ZINC000015015722 556484710 /nfs/dbraw/zinc/48/47/10/556484710.db2.gz GIWMLLDBFDPOEQ-DEOSSOPVSA-N 1 1 429.520 5.643 50 10 IKCAMO Cc1cc[nH+]c(N[C@@H](c2ccc(OC3CCCC3)cc2)c2ccc3ccc(C)nc3c2O)c1 ZINC000015016009 556485156 /nfs/dbraw/zinc/48/51/56/556485156.db2.gz VNZDOJNNZBOYJL-SANMLTNESA-N 1 1 439.559 6.475 50 10 IKCAMO COc1ccc([C@H](Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)c(OC)c1OC ZINC000018169871 556685650 /nfs/dbraw/zinc/68/56/50/556685650.db2.gz PWOPJJWARHVWIL-HSZRJFAPSA-N 1 1 445.519 5.180 50 10 IKCAMO Cc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000019608923 556831592 /nfs/dbraw/zinc/83/15/92/556831592.db2.gz SUBVBEAVIGAVTH-UHFFFAOYSA-N 1 1 427.514 5.431 50 10 IKCAMO CCOC(=O)c1c(C)oc2c1c([C@@H](c1cccnc1)[NH+]1CCCCC1)c(O)c1ccccc21 ZINC000024303251 557143512 /nfs/dbraw/zinc/14/35/12/557143512.db2.gz IAQKXFGPYLIQMT-XMMPIXPASA-N 1 1 444.531 5.747 50 10 IKCAMO Cc1c([O-])c(C[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)cc2c(-c3ccccc3)cc(=O)oc12 ZINC000524730677 557369118 /nfs/dbraw/zinc/36/91/18/557369118.db2.gz SKGJXNFIFMTYGG-SQJMNOBHSA-N 1 1 446.591 5.170 50 10 biogenic IKCAMO CC[N@@H+](Cc1ccccc1)Cc1c2c(ccc1O)oc(C)c2C(=O)Nc1ccccc1C ZINC000008612211 562959085 /nfs/dbraw/zinc/95/90/85/562959085.db2.gz MMBKXAMEJZNKRH-UHFFFAOYSA-N 1 1 428.532 6.030 50 10 IKCAMO CN(C)c1ccc(/C=C\C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000019815797 569329885 /nfs/dbraw/zinc/32/98/85/569329885.db2.gz XPSZFIULZVENTR-ARJAWSKDSA-N 1 1 447.573 5.451 50 10 IKCAMO O=C(C[N@H+](Cc1ccccc1O)C1CCCCC1)NC(c1ccccc1)c1ccccc1 ZINC000003278287 569443752 /nfs/dbraw/zinc/44/37/52/569443752.db2.gz LCFOPTLAHZLLIQ-UHFFFAOYSA-N 1 1 428.576 5.433 50 10 IKCAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1 ZINC000009406148 569530014 /nfs/dbraw/zinc/53/00/14/569530014.db2.gz XKQHJESFRGIPTA-JOCHJYFZSA-N 1 1 441.619 5.627 50 10 IKCAMO Cc1ccc(C)c(Nc2cc(N3CC[NH+](C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000009612320 132323562 /nfs/dbraw/zinc/32/35/62/132323562.db2.gz IMZBHUZFZNRMQW-UHFFFAOYSA-N 1 1 438.531 5.151 50 10 IKCAMO CCOc1cccc([C@@H](Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)c1OC ZINC000002470509 555783265 /nfs/dbraw/zinc/78/32/65/555783265.db2.gz CBMCUGPDDZTZAO-DEOSSOPVSA-N 1 1 429.520 5.561 50 10 IKCAMO COc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)cc(OC)c1OC ZINC000004164730 555971311 /nfs/dbraw/zinc/97/13/11/555971311.db2.gz PKONGJVFAYPTNC-HSZRJFAPSA-N 1 1 445.519 5.180 50 10 biogenic IKCAMO C[N@H+](Cc1csc(-c2ccccc2)n1)Cc1cc(-c2nc3ccccc3s2)ccc1O ZINC000014987268 556473415 /nfs/dbraw/zinc/47/34/15/556473415.db2.gz QRCOANVOZQMHQX-UHFFFAOYSA-N 1 1 443.597 6.424 50 10 IKCAMO C[N@@H+](Cc1csc(-c2ccccc2)n1)Cc1cc(-c2nc3ccccc3s2)ccc1O ZINC000014987268 556473416 /nfs/dbraw/zinc/47/34/16/556473416.db2.gz QRCOANVOZQMHQX-UHFFFAOYSA-N 1 1 443.597 6.424 50 10 IKCAMO COc1cccc(O)c1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(C(F)(F)F)c2)C1 ZINC000015004796 556481183 /nfs/dbraw/zinc/48/11/83/556481183.db2.gz ZRRDMCXBCVKPQL-INIZCTEOSA-N 1 1 431.458 5.189 50 10 IKCAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000016672212 556622026 /nfs/dbraw/zinc/62/20/26/556622026.db2.gz ZLVPBCWNMROIEP-AREMUKBSSA-N 1 1 436.983 5.571 50 10 IKCAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000016672212 556622028 /nfs/dbraw/zinc/62/20/28/556622028.db2.gz ZLVPBCWNMROIEP-AREMUKBSSA-N 1 1 436.983 5.571 50 10 IKCAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)c(O)c1 ZINC000016672153 556622056 /nfs/dbraw/zinc/62/20/56/556622056.db2.gz VMQTWCRNUUAREG-VWLOTQADSA-N 1 1 439.939 5.219 50 10 IKCAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)c(O)c1 ZINC000016672153 556622060 /nfs/dbraw/zinc/62/20/60/556622060.db2.gz VMQTWCRNUUAREG-VWLOTQADSA-N 1 1 439.939 5.219 50 10 IKCAMO O=C1N=C(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S/C1=C/c1cccs1 ZINC000013779143 556731819 /nfs/dbraw/zinc/73/18/19/556731819.db2.gz UFIKSCMEOFNNCY-RELWKKBWSA-N 1 1 445.613 5.126 50 10 IKCAMO CCOC(=O)c1c(C)oc2c1c([C@H](c1cccnc1)[NH+]1CCCCC1)c(O)c1ccccc21 ZINC000024303248 557143593 /nfs/dbraw/zinc/14/35/93/557143593.db2.gz IAQKXFGPYLIQMT-DEOSSOPVSA-N 1 1 444.531 5.747 50 10 IKCAMO CCOc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc3ccc(C)nc3c2O)cc1OC ZINC000035111472 568820607 /nfs/dbraw/zinc/82/06/07/568820607.db2.gz IDCXHNCSAXMZOH-XMMPIXPASA-N 1 1 429.520 5.561 50 10 IKCAMO CCOC(=O)c1c(C)oc2c1c(C[NH+]1CCN(c3ccccc3)CC1)c(O)c1ccccc21 ZINC000054114208 568920372 /nfs/dbraw/zinc/92/03/72/568920372.db2.gz KVXIGPHKXCBPEY-UHFFFAOYSA-N 1 1 444.531 5.099 50 10 IKCAMO CC[N@@H+](CCCNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1)Cc1ccccc1 ZINC000006877897 569096333 /nfs/dbraw/zinc/09/63/33/569096333.db2.gz AYUWVUTYWGZBEB-UHFFFAOYSA-N 1 1 429.608 5.307 50 10 IKCAMO COc1ccc2c(c1O)C[N@H+]1CCc3cc(OCc4ccccc4)c(OC)cc3[C@H]1CC2 ZINC000096593976 569402059 /nfs/dbraw/zinc/40/20/59/569402059.db2.gz CBLFDKMWJCZGIZ-HSZRJFAPSA-N 1 1 431.532 5.034 50 10 IKCAMO COc1ccc2c(c1O)C[N@@H+]1CCc3cc(OCc4ccccc4)c(OC)cc3[C@H]1CC2 ZINC000096593976 569402060 /nfs/dbraw/zinc/40/20/60/569402060.db2.gz CBLFDKMWJCZGIZ-HSZRJFAPSA-N 1 1 431.532 5.034 50 10 IKCAMO CCN(CC)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000057305015 569430579 /nfs/dbraw/zinc/43/05/79/569430579.db2.gz TWKNAOBWHJRTBP-DEOSSOPVSA-N 1 1 446.620 5.007 50 10 IKCAMO CCN(CC)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000057305015 569430580 /nfs/dbraw/zinc/43/05/80/569430580.db2.gz TWKNAOBWHJRTBP-DEOSSOPVSA-N 1 1 446.620 5.007 50 10 IKCAMO CCC[N@@H+](CC[C@@]1(c2ccc(OC)cc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000003999353 569457625 /nfs/dbraw/zinc/45/76/25/569457625.db2.gz XZMRTMSMRYDEJS-MUUNZHRXSA-N 1 1 438.656 5.890 50 10 biogenic IKCAMO CCCC[N@@H+](CC)CCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1 ZINC000009406142 569529995 /nfs/dbraw/zinc/52/99/95/569529995.db2.gz RBWGJEHKVMJFRQ-UHFFFAOYSA-N 1 1 443.635 5.875 50 10 IKCAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC=C(c4c[nH]c5ncccc45)CC3)c2c1C ZINC000012514764 526890582 /nfs/dbraw/zinc/89/05/82/526890582.db2.gz ICSRUIYLOFFEPO-UHFFFAOYSA-N 1 1 444.608 5.074 50 10 IKCAMO CC(C)C(=O)N(C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1c1cccc(F)c1)C(C)C ZINC000034740805 555884142 /nfs/dbraw/zinc/88/41/42/555884142.db2.gz ZOJNKXBHUINZCU-JYFHCDHNSA-N 1 1 439.619 5.000 50 10 IKCAMO COc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)cc(OC)c1OC ZINC000004164735 555971284 /nfs/dbraw/zinc/97/12/84/555971284.db2.gz PKONGJVFAYPTNC-QHCPKHFHSA-N 1 1 445.519 5.180 50 10 biogenic IKCAMO CCOc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc3ccc(C)nc3c2O)ccc1OC ZINC000006387305 556086275 /nfs/dbraw/zinc/08/62/75/556086275.db2.gz DFGDEHMIIPYKSL-XMMPIXPASA-N 1 1 429.520 5.561 50 10 IKCAMO Cc1cc[nH+]c(N[C@H](c2cccc(OCc3ccccc3)c2)c2ccc3cccnc3c2O)c1 ZINC000008452688 556183131 /nfs/dbraw/zinc/18/31/31/556183131.db2.gz YGDWDKVACVMXAO-HHHXNRCGSA-N 1 1 447.538 6.424 50 10 IKCAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1 ZINC000014997530 556478590 /nfs/dbraw/zinc/47/85/90/556478590.db2.gz NLIGNKKAIYPFNJ-INIZCTEOSA-N 1 1 431.458 5.189 50 10 IKCAMO Cc1cc[nH+]c(N[C@@H](c2cccc(Br)c2)c2ccc3ccc(C)nc3c2O)c1 ZINC000015016654 556485796 /nfs/dbraw/zinc/48/57/96/556485796.db2.gz PZEUMJUWHZCRJQ-NRFANRHFSA-N 1 1 434.337 5.916 50 10 IKCAMO COc1ccc(O)c(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)c1 ZINC000016672206 556621982 /nfs/dbraw/zinc/62/19/82/556621982.db2.gz YIKOBSATCXWBPI-RUZDIDTESA-N 1 1 439.939 5.219 50 10 IKCAMO COc1ccc(O)c(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)c1 ZINC000016672206 556621985 /nfs/dbraw/zinc/62/19/85/556621985.db2.gz YIKOBSATCXWBPI-RUZDIDTESA-N 1 1 439.939 5.219 50 10 IKCAMO COc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc3ccc(C)nc3c2O)cc(OC)c1OC ZINC000018190086 556686030 /nfs/dbraw/zinc/68/60/30/556686030.db2.gz PHJSFZUPVICELW-HSZRJFAPSA-N 1 1 445.519 5.180 50 10 IKCAMO COc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc3ccc(C)nc3c2O)cc(Cl)c1OC ZINC000018208675 556686877 /nfs/dbraw/zinc/68/68/77/556686877.db2.gz BITXZZNWWHVZPE-JOCHJYFZSA-N 1 1 449.938 5.824 50 10 IKCAMO CC[NH+](CC)Cc1cc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc32)ccc1O ZINC000004366191 562943169 /nfs/dbraw/zinc/94/31/69/562943169.db2.gz GICKTUQFXCPPNY-UHFFFAOYSA-N 1 1 435.955 6.341 50 10 IKCAMO CCC[NH+](CCC)Cc1c2c(ccc1O)oc(C)c2C(=O)c1cc(OC)ccc1OC ZINC000001318371 568779492 /nfs/dbraw/zinc/77/94/92/568779492.db2.gz YZVQXCDIBMQGOP-UHFFFAOYSA-N 1 1 425.525 5.317 50 10 biogenic IKCAMO Cc1ccc([C@H]2C[N@H+](Cc3ccc(N(C)C)cc3)C[C@H]2CN(C(=O)C(C)C)C(C)C)cc1 ZINC000230167968 569439821 /nfs/dbraw/zinc/43/98/21/569439821.db2.gz FOGLDXPNOFDSBR-AHKZPQOWSA-N 1 1 435.656 5.170 50 10 IKCAMO Cc1oc2ccc(O)c(C[N@@H+]3CCC[C@@H](C)C3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008717869 569471194 /nfs/dbraw/zinc/47/11/94/569471194.db2.gz ZBNYQXNSNSVCTO-CQSZACIVSA-N 1 1 446.469 5.950 50 10 IKCAMO COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[NH+](CC(C)C)CC(C)C)c32)cc1 ZINC000008717863 569471217 /nfs/dbraw/zinc/47/12/17/569471217.db2.gz TVPVRJMNWDTPLE-UHFFFAOYSA-N 1 1 438.568 5.822 50 10 IKCAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1 ZINC000009406149 569530051 /nfs/dbraw/zinc/53/00/51/569530051.db2.gz XKQHJESFRGIPTA-QFIPXVFZSA-N 1 1 441.619 5.627 50 10 IKCAMO