smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(-c2cccc(Cl)c2)cnc1NCc1cc(Cl)ccc1O ZINC000004678165 210244942 /nfs/dbraw/zinc/24/49/42/210244942.db2.gz IANMDYUIEFEPII-UHFFFAOYSA-N 0 1 348.233 4.712 50 10 EJCAMN Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1[C@@H](C)c1ccccc1O ZINC000067740556 215199823 /nfs/dbraw/zinc/19/98/23/215199823.db2.gz ZCBIXGXOIBXLBA-HNNXBMFYSA-N 0 1 344.418 4.564 50 10 EJCAMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000022023323 212270639 /nfs/dbraw/zinc/27/06/39/212270639.db2.gz ZUCUPAKYMMMZRG-MRXNPFEDSA-N 0 1 337.250 4.821 50 10 EJCAMN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1Cl ZINC000100041076 563981332 /nfs/dbraw/zinc/98/13/32/563981332.db2.gz JANWWUWABUSGKW-UVTDQMKNSA-N 0 1 346.217 4.712 50 10 EJCAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccccc1Cl ZINC000100041076 563981333 /nfs/dbraw/zinc/98/13/33/563981333.db2.gz JANWWUWABUSGKW-UVTDQMKNSA-N 0 1 346.217 4.712 50 10 EJCAMN [O-]c1c([C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)ccc2cccnc21 ZINC000000038269 205397688 /nfs/dbraw/zinc/39/76/88/205397688.db2.gz GDIGNVDJSCDPJG-LJQANCHMSA-N 0 1 338.838 4.779 50 10 EJCAMN [O-]c1c([C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)ccc2cccnc21 ZINC000000038270 208554616 /nfs/dbraw/zinc/55/46/16/208554616.db2.gz GDIGNVDJSCDPJG-IBGZPJMESA-N 0 1 338.838 4.779 50 10 EJCAMN COc1ccc([C@H](NCc2ccc(N(C)C)cc2)c2ccccc2)cc1 ZINC000013720228 563932301 /nfs/dbraw/zinc/93/23/01/563932301.db2.gz CAOBXCZRMLYAIG-HSZRJFAPSA-N 0 1 346.474 4.640 50 10 EJCAMN Cn1c(-c2ccc(Cl)cc2)cnc1NCc1cc(Cl)ccc1O ZINC000004678594 210244628 /nfs/dbraw/zinc/24/46/28/210244628.db2.gz CRVYHXOMUQJTRE-UHFFFAOYSA-N 0 1 348.233 4.712 50 10 EJCAMN C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3)coc21 ZINC000019791533 212067900 /nfs/dbraw/zinc/06/79/00/212067900.db2.gz ZTCLWGZTANQKDF-HNNXBMFYSA-N 0 1 349.430 4.540 50 10 biogenic EJCAMN C[N@H+](Cc1csc2ccccc12)Cc1c([O-])ccc2ccncc21 ZINC000083867704 564064041 /nfs/dbraw/zinc/06/40/41/564064041.db2.gz BZDQWUZZIZHMCG-UHFFFAOYSA-N 0 1 334.444 4.787 50 10 EJCAMN C[N@@H+](Cc1csc2ccccc12)Cc1c([O-])ccc2ccncc21 ZINC000083867704 564064042 /nfs/dbraw/zinc/06/40/42/564064042.db2.gz BZDQWUZZIZHMCG-UHFFFAOYSA-N 0 1 334.444 4.787 50 10 EJCAMN Cc1ccc(NCc2c(O)ccc3c4ccccc4c(=O)oc32)cc1F ZINC000006662791 564095653 /nfs/dbraw/zinc/09/56/53/564095653.db2.gz KVDCPUREYDQKCL-UHFFFAOYSA-N 0 1 349.361 4.711 50 10 EJCAMN C[NH+](C)CC/C=C1/c2ccccc2Sc2cc([O-])c(Cl)cc21 ZINC000195780738 564108494 /nfs/dbraw/zinc/10/84/94/564108494.db2.gz VDUXLJKZYYNCHS-GHXNOFRVSA-N 0 1 331.868 4.894 50 10 EJCAMN Cc1ccc([C@H](c2cc(Br)ccc2[O-])[NH+]2CCCC2)cc1 ZINC000032801377 202235823 /nfs/dbraw/zinc/23/58/23/202235823.db2.gz PKDNJAYKJSOACN-GOSISDBHSA-N 0 1 346.268 4.648 50 10 EJCAMN [O-]c1ccc(-c2ccccn2)cc1C[NH+]1CCC(c2ccccc2)CC1 ZINC000012246801 211329990 /nfs/dbraw/zinc/32/99/90/211329990.db2.gz SMIBHAIRRPEWBE-UHFFFAOYSA-N 0 1 344.458 4.834 50 10 EJCAMN Cc1ccc([C@@H](c2cc(Br)ccc2[O-])[NH+]2CCCC2)cc1 ZINC000032801379 563744891 /nfs/dbraw/zinc/74/48/91/563744891.db2.gz PKDNJAYKJSOACN-SFHVURJKSA-N 0 1 346.268 4.648 50 10 EJCAMN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1Cl ZINC000101141679 564019244 /nfs/dbraw/zinc/01/92/44/564019244.db2.gz PGNJJKHFGCGZNE-GXDHUFHOSA-N 0 1 346.217 4.712 50 10 EJCAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccccc1Cl ZINC000101141679 564019245 /nfs/dbraw/zinc/01/92/45/564019245.db2.gz PGNJJKHFGCGZNE-GXDHUFHOSA-N 0 1 346.217 4.712 50 10 EJCAMN O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 ZINC000245238290 564088638 /nfs/dbraw/zinc/08/86/38/564088638.db2.gz IVWNHJKZDBXOMY-HSMVNMDESA-N 0 1 342.782 4.780 50 10 EJCAMN CC1CC[NH+](Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC000003303504 564157232 /nfs/dbraw/zinc/15/72/32/564157232.db2.gz LMEFKAMFAQARCJ-UHFFFAOYSA-N 0 1 334.257 4.540 50 10 EJCAMN Cc1ccc(CN(Cc2ccncc2)Cc2cccc(C)c2O)s1 ZINC000055042486 214266348 /nfs/dbraw/zinc/26/63/48/214266348.db2.gz XDWQKOIECXZTNP-UHFFFAOYSA-N 0 1 338.476 4.668 50 10 EJCAMN C[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3)coc21 ZINC000019791532 212067422 /nfs/dbraw/zinc/06/74/22/212067422.db2.gz ZTCLWGZTANQKDF-OAHLLOKOSA-N 0 1 349.430 4.540 50 10 biogenic EJCAMN COc1cccc(-c2ccc([O-])c(C[NH2+]C3CCCCCCC3)c2)n1 ZINC000014979158 211784034 /nfs/dbraw/zinc/78/40/34/211784034.db2.gz NFMFFSIMBUPVGF-UHFFFAOYSA-N 0 1 340.467 4.665 50 10 EJCAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1c(Cl)cccc1Cl ZINC000012436425 211379592 /nfs/dbraw/zinc/37/95/92/211379592.db2.gz MLKMRHIZMPOVTM-RAXLEYEMSA-N 0 1 346.217 4.712 50 10 EJCAMN [O-]c1c([C@H](c2ccc(F)cc2)[NH+]2CCCCC2)ccc2cccnc21 ZINC000000038305 563212274 /nfs/dbraw/zinc/21/22/74/563212274.db2.gz HOKPJBCDXUEGDO-FQEVSTJZSA-N 0 1 336.410 4.655 50 10 EJCAMN C[NH+](C)CC/C=C1/c2ccccc2Sc2c([O-])cc(Cl)cc21 ZINC000001000507 563367703 /nfs/dbraw/zinc/36/77/03/563367703.db2.gz LSDJYKNINCJROA-QPEQYQDCSA-N 0 1 331.868 4.894 50 10 EJCAMN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1Cl ZINC000015134090 563778748 /nfs/dbraw/zinc/77/87/48/563778748.db2.gz JANWWUWABUSGKW-GXDHUFHOSA-N 0 1 346.217 4.712 50 10 EJCAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccccc1Cl ZINC000015134090 563778751 /nfs/dbraw/zinc/77/87/51/563778751.db2.gz JANWWUWABUSGKW-GXDHUFHOSA-N 0 1 346.217 4.712 50 10 EJCAMN O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@@H]1[C@H]([C@H]1CC=CCC1)N2 ZINC000033744438 563916429 /nfs/dbraw/zinc/91/64/29/563916429.db2.gz WCMULIPDJGIOHP-BUWBCJGYSA-N 0 1 346.814 4.764 50 10 EJCAMN O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@@H]1[C@@H]([C@@H]1CC=CCC1)N2 ZINC000217461464 241250958 /nfs/dbraw/zinc/25/09/58/241250958.db2.gz WCMULIPDJGIOHP-LSSIXWDNSA-N 0 1 346.814 4.764 50 10 EJCAMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000022023324 212271079 /nfs/dbraw/zinc/27/10/79/212271079.db2.gz ZUCUPAKYMMMZRG-INIZCTEOSA-N 0 1 337.250 4.821 50 10 EJCAMN CCN(CC)c1ccc(CN2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064984508 563957539 /nfs/dbraw/zinc/95/75/39/563957539.db2.gz ZWVWQJATFACEDX-FQEVSTJZSA-N 0 1 341.499 4.981 50 10 EJCAMN C[NH+](C)CC/C=C1\c2ccccc2Sc2c([O-])cc(Cl)cc21 ZINC000033291191 563973013 /nfs/dbraw/zinc/97/30/13/563973013.db2.gz LSDJYKNINCJROA-NTUHNPAUSA-N 0 1 331.868 4.894 50 10 EJCAMN Cc1cccc(NCc2c(O)ccc3c4ccccc4c(=O)oc32)c1 ZINC000006672435 564095800 /nfs/dbraw/zinc/09/58/00/564095800.db2.gz AUEMSRLCGIDGHW-UHFFFAOYSA-N 0 1 331.371 4.572 50 10 EJCAMN O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@@H]1[C@@H]([C@H]1CC=CCC1)N2 ZINC000015218452 564129731 /nfs/dbraw/zinc/12/97/31/564129731.db2.gz WCMULIPDJGIOHP-MEQWQQMJSA-N 0 1 346.814 4.764 50 10 EJCAMN [O-]c1c([C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)ccc2cccnc21 ZINC000000038304 563212295 /nfs/dbraw/zinc/21/22/95/563212295.db2.gz HOKPJBCDXUEGDO-HXUWFJFHSA-N 0 1 336.410 4.655 50 10 EJCAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Cl)cc1Cl ZINC000100148621 563982378 /nfs/dbraw/zinc/98/23/78/563982378.db2.gz XAGWBIQIOPTHSE-GXDHUFHOSA-N 0 1 346.217 4.712 50 10 EJCAMN CC[NH+](CC)Cc1cc(-c2ccccc2)c(Br)cc1[O-] ZINC000096026595 564144980 /nfs/dbraw/zinc/14/49/80/564144980.db2.gz CYFSBYBFWQDZIT-UHFFFAOYSA-N 0 1 334.257 4.664 50 10 EJCAMN C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)C1CCCC1 ZINC000040019913 213251247 /nfs/dbraw/zinc/25/12/47/213251247.db2.gz JUHWEVJKJRVAGZ-UHFFFAOYSA-N 0 1 334.257 4.682 50 10 EJCAMN C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)C1CCCC1 ZINC000040019913 213251250 /nfs/dbraw/zinc/25/12/50/213251250.db2.gz JUHWEVJKJRVAGZ-UHFFFAOYSA-N 0 1 334.257 4.682 50 10 EJCAMN CC[N@@H+](Cc1c([O-])c(Cl)cc2c(C)cc(=O)oc21)C1CCCCC1 ZINC000019597078 212050313 /nfs/dbraw/zinc/05/03/13/212050313.db2.gz SFXTXCBBHJKYNV-UHFFFAOYSA-N 0 1 349.858 4.615 50 10 EJCAMN Cc1nc2cc(NCc3ccccc3O)ccc2n1Cc1ccccc1 ZINC000000237778 563917148 /nfs/dbraw/zinc/91/71/48/563917148.db2.gz DNRQRIUQDVKUPF-UHFFFAOYSA-N 0 1 343.430 4.711 50 10 EJCAMN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccccc1Cl ZINC000005342551 564002815 /nfs/dbraw/zinc/00/28/15/564002815.db2.gz HUYVFEDYLMRPEB-WJDWOHSUSA-N 0 1 339.826 4.675 50 10 EJCAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccccc1Cl ZINC000005342551 564002816 /nfs/dbraw/zinc/00/28/16/564002816.db2.gz HUYVFEDYLMRPEB-WJDWOHSUSA-N 0 1 339.826 4.675 50 10 EJCAMN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccccc1Cl ZINC000006556664 564092042 /nfs/dbraw/zinc/09/20/42/564092042.db2.gz MUTDIXKKEOTLII-RVDMUPIBSA-N 0 1 339.826 4.675 50 10 EJCAMN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccccc1Cl ZINC000006556664 564092043 /nfs/dbraw/zinc/09/20/43/564092043.db2.gz MUTDIXKKEOTLII-RVDMUPIBSA-N 0 1 339.826 4.675 50 10 EJCAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Cl)cc1Cl ZINC000013395678 564136368 /nfs/dbraw/zinc/13/63/68/564136368.db2.gz XAGWBIQIOPTHSE-UVTDQMKNSA-N 0 1 346.217 4.712 50 10 EJCAMN [O-]c1c(Cl)cccc1C[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000095467760 564141149 /nfs/dbraw/zinc/14/11/49/564141149.db2.gz VZRPDNDLMVFQFH-UHFFFAOYSA-N 0 1 338.838 4.816 50 10 EJCAMN Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1[C@H](C)c1ccccc1O ZINC000067740557 215199326 /nfs/dbraw/zinc/19/93/26/215199326.db2.gz ZCBIXGXOIBXLBA-OAHLLOKOSA-N 0 1 344.418 4.564 50 10 EJCAMN CN1CCN(C2=Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000033824131 202270616 /nfs/dbraw/zinc/27/06/16/202270616.db2.gz MZFRKLMGBOFQQI-UHFFFAOYSA-N 0 1 342.895 4.550 50 10 EJCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])c(Cl)cc2c(C)c(C)c(=O)oc21 ZINC000020292095 212117239 /nfs/dbraw/zinc/11/72/39/212117239.db2.gz RGSPHZMFORVAPR-CYBMUJFWSA-N 0 1 349.858 4.533 50 10 EJCAMN O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000015218417 563779965 /nfs/dbraw/zinc/77/99/65/563779965.db2.gz IVWNHJKZDBXOMY-XHBSWPGZSA-N 0 1 342.782 4.780 50 10 EJCAMN O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 ZINC000004647856 563963335 /nfs/dbraw/zinc/96/33/35/563963335.db2.gz IVWNHJKZDBXOMY-WQGACYEGSA-N 0 1 342.782 4.780 50 10 EJCAMN C[NH+](C)CC/C=C1\c2ccccc2Sc2cc([O-])c(Cl)cc21 ZINC000033984119 564129729 /nfs/dbraw/zinc/12/97/29/564129729.db2.gz VDUXLJKZYYNCHS-KPKJPENVSA-N 0 1 331.868 4.894 50 10 EJCAMN CC[NH+](CC)Cc1cc(Br)cc(-c2ccccc2)c1[O-] ZINC000096026331 564144908 /nfs/dbraw/zinc/14/49/08/564144908.db2.gz NYNVXWXTECIYCC-UHFFFAOYSA-N 0 1 334.257 4.664 50 10 EJCAMN CC1CC[NH+]([C@@H](c2ccccc2)c2ccc3cccnc3c2[O-])CC1 ZINC000004139962 210130809 /nfs/dbraw/zinc/13/08/09/210130809.db2.gz HZNHTAMFWBXPCW-NRFANRHFSA-N 0 1 332.447 4.762 50 10 EJCAMN CC1CC[NH+]([C@H](c2ccccc2)c2ccc3cccnc3c2[O-])CC1 ZINC000004139963 210130602 /nfs/dbraw/zinc/13/06/02/210130602.db2.gz HZNHTAMFWBXPCW-OAQYLSRUSA-N 0 1 332.447 4.762 50 10 EJCAMN C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC000000123376 563235409 /nfs/dbraw/zinc/23/54/09/563235409.db2.gz JGAUFMZMPSQKEH-HNNXBMFYSA-N 0 1 349.430 4.540 50 10 biogenic EJCAMN C[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC000000123384 563235856 /nfs/dbraw/zinc/23/58/56/563235856.db2.gz JGAUFMZMPSQKEH-OAHLLOKOSA-N 0 1 349.430 4.540 50 10 biogenic EJCAMN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1Cl ZINC000016160842 563804856 /nfs/dbraw/zinc/80/48/56/563804856.db2.gz PGNJJKHFGCGZNE-UVTDQMKNSA-N 0 1 346.217 4.712 50 10 EJCAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccccc1Cl ZINC000016160842 563804860 /nfs/dbraw/zinc/80/48/60/563804860.db2.gz PGNJJKHFGCGZNE-UVTDQMKNSA-N 0 1 346.217 4.712 50 10 EJCAMN CCN(CC)c1ccc(CN2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064984507 563957473 /nfs/dbraw/zinc/95/74/73/563957473.db2.gz ZWVWQJATFACEDX-HXUWFJFHSA-N 0 1 341.499 4.981 50 10 EJCAMN [O-]c1c(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc(Cl)c2ccccc12 ZINC000008392581 564165026 /nfs/dbraw/zinc/16/50/26/564165026.db2.gz XBTNJFMNSLNQLH-GFCCVEGCSA-N 0 1 343.776 4.973 50 10 EJCAMN [O-]c1c(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc(Cl)c2ccccc12 ZINC000008392581 564165027 /nfs/dbraw/zinc/16/50/27/564165027.db2.gz XBTNJFMNSLNQLH-GFCCVEGCSA-N 0 1 343.776 4.973 50 10 EJCAMN Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1ccccc1O ZINC000004678352 210245479 /nfs/dbraw/zinc/24/54/79/210245479.db2.gz HJINSCUACYICNF-UHFFFAOYSA-N 0 1 348.233 4.712 50 10 EJCAMN CC1CC[NH+]([C@@H](c2cccs2)c2ccc3cccnc3c2[O-])CC1 ZINC000021486641 212226390 /nfs/dbraw/zinc/22/63/90/212226390.db2.gz XLFXWWWSADVIOV-LJQANCHMSA-N 0 1 338.476 4.823 50 10 EJCAMN CCn1c2ccccc2nc1NCc1cc(Cl)cc(Cl)c1O ZINC000000454656 563322900 /nfs/dbraw/zinc/32/29/00/563322900.db2.gz VGNDLPHXJKLKMF-UHFFFAOYSA-N 0 1 336.222 4.681 50 10 EJCAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cccc(Cl)c1Cl ZINC000044965558 564027915 /nfs/dbraw/zinc/02/79/15/564027915.db2.gz CTHZUZMBWKDXPE-RAXLEYEMSA-N 0 1 346.217 4.712 50 10 EJCAMN O=c1cc(-c2ccccc2)oc2ccc([O-])c(C[NH+]3CCCCCC3)c12 ZINC000001321164 564063165 /nfs/dbraw/zinc/06/31/65/564063165.db2.gz YQEMOWZJULPUQR-UHFFFAOYSA-N 0 1 349.430 4.542 50 10 EJCAMN CN(Cc1nc2ccccc2s1)Cc1c(O)ccc2ccccc21 ZINC000057553824 564154922 /nfs/dbraw/zinc/15/49/22/564154922.db2.gz AEUWKLCRKDVZPP-UHFFFAOYSA-N 0 1 334.444 4.787 50 10 EJCAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])c(Cl)cc2c(C)c(C)c(=O)oc21 ZINC000020292098 212116284 /nfs/dbraw/zinc/11/62/84/212116284.db2.gz RGSPHZMFORVAPR-ZDUSSCGKSA-N 0 1 349.858 4.533 50 10 EJCAMN Cc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(C)c1 ZINC000009378249 211078254 /nfs/dbraw/zinc/07/82/54/211078254.db2.gz HOQQGFPBOKRLFP-UHFFFAOYSA-N 0 1 345.855 4.564 50 10 EJCAMN COc1ccc([C@@H](NCc2ccc(N(C)C)cc2)c2ccccc2)cc1 ZINC000013720225 563932333 /nfs/dbraw/zinc/93/23/33/563932333.db2.gz CAOBXCZRMLYAIG-QHCPKHFHSA-N 0 1 346.474 4.640 50 10 EJCAMN Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)[nH]2)cc1O ZINC000001477250 564073912 /nfs/dbraw/zinc/07/39/12/564073912.db2.gz XJPFXSUQNDDLHG-UHFFFAOYSA-N 0 1 346.361 4.961 50 10 EJCAMN O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@@H]1[C@H]([C@@H]1CC=CCC1)N2 ZINC000000084473 564082392 /nfs/dbraw/zinc/08/23/92/564082392.db2.gz WCMULIPDJGIOHP-YMEQNVIZSA-N 0 1 346.814 4.764 50 10 EJCAMN [O-]c1c(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc(Cl)c2ccccc12 ZINC000008392578 564165016 /nfs/dbraw/zinc/16/50/16/564165016.db2.gz XBTNJFMNSLNQLH-LBPRGKRZSA-N 0 1 343.776 4.973 50 10 EJCAMN [O-]c1c(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc(Cl)c2ccccc12 ZINC000008392578 564165017 /nfs/dbraw/zinc/16/50/17/564165017.db2.gz XBTNJFMNSLNQLH-LBPRGKRZSA-N 0 1 343.776 4.973 50 10 EJCAMN Cc1ccc(-c2cnc(NCc3cc(Cl)ccc3O)n2C)cc1C ZINC000004678813 210243981 /nfs/dbraw/zinc/24/39/81/210243981.db2.gz WPVNQLSZAVUWHH-UHFFFAOYSA-N 0 1 341.842 4.675 50 10 EJCAMN CC1CC[NH+]([C@H](c2cccs2)c2ccc3cccnc3c2[O-])CC1 ZINC000021486643 202065029 /nfs/dbraw/zinc/06/50/29/202065029.db2.gz XLFXWWWSADVIOV-IBGZPJMESA-N 0 1 338.476 4.823 50 10 EJCAMN S=C(NCc1cccnc1)SCc1cc(Cl)sc1Cl ZINC000000142753 563242914 /nfs/dbraw/zinc/24/29/14/563242914.db2.gz DGYDYUNBWSVWEX-UHFFFAOYSA-N 0 1 349.333 4.758 50 10 EJCAMN O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 ZINC000015218414 563779981 /nfs/dbraw/zinc/77/99/81/563779981.db2.gz IVWNHJKZDBXOMY-BFQNTYOBSA-N 0 1 342.782 4.780 50 10 EJCAMN O=C([O-])c1ccc(N[NH+]=c2c3ccccc3[nH]c3ccccc32)cc1 ZINC000019854680 212076729 /nfs/dbraw/zinc/07/67/29/212076729.db2.gz HSMLASYALJZKSQ-UHFFFAOYSA-N 0 1 329.359 4.525 50 10 EJCAMN