smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c(F)c1 ZINC000756855982 1120944843 /nfs/dbraw/zinc/94/48/43/1120944843.db2.gz CCEPVYIPKFECNS-JTQLQIEISA-N 0 2 290.294 3.921 20 10 CHCDLN Oc1c(Cl)cc(Cl)cc1CN1CCC=C(F)C1 ZINC000770668302 1129954233 /nfs/dbraw/zinc/95/42/33/1129954233.db2.gz XJNAFIFEXVBFHJ-UHFFFAOYSA-N 0 2 276.138 3.758 20 10 CHCDLN CC1(C)CN(Cc2cccc(F)c2O)[C@@H]1c1ccncc1 ZINC000293980104 1127538618 /nfs/dbraw/zinc/53/86/18/1127538618.db2.gz REYPQJXMCWLVEO-MRXNPFEDSA-N 0 2 286.350 3.509 20 10 CHCDLN CC1(C)C[N@H+](Cc2cccc(F)c2[O-])[C@@H]1c1ccncc1 ZINC000293980104 1127538622 /nfs/dbraw/zinc/53/86/22/1127538622.db2.gz REYPQJXMCWLVEO-MRXNPFEDSA-N 0 2 286.350 3.509 20 10 CHCDLN CC1(C)C[N@@H+](Cc2cccc(F)c2[O-])[C@@H]1c1ccncc1 ZINC000293980104 1127538624 /nfs/dbraw/zinc/53/86/24/1127538624.db2.gz REYPQJXMCWLVEO-MRXNPFEDSA-N 0 2 286.350 3.509 20 10 CHCDLN CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(Cl)c1O ZINC000817982099 1131195161 /nfs/dbraw/zinc/19/51/61/1131195161.db2.gz POQCJPWVQCGJFI-GJZGRUSLSA-N 0 2 296.842 3.604 20 10 CHCDLN Oc1c(F)ccc(F)c1CN1Cc2cccc(Cl)c2C1 ZINC001139686240 1131628610 /nfs/dbraw/zinc/62/86/10/1131628610.db2.gz QWNIJPDIJQNJRQ-UHFFFAOYSA-N 0 2 295.716 3.840 20 10 CHCDLN Oc1c(F)cccc1CN1CCc2ccc(Cl)cc2C1 ZINC001138122392 1127761792 /nfs/dbraw/zinc/76/17/92/1127761792.db2.gz BLRDNWJBAGZPSV-UHFFFAOYSA-N 0 2 291.753 3.743 20 10 CHCDLN [O-]c1c(F)cccc1C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001138122392 1127761794 /nfs/dbraw/zinc/76/17/94/1127761794.db2.gz BLRDNWJBAGZPSV-UHFFFAOYSA-N 0 2 291.753 3.743 20 10 CHCDLN [O-]c1c(F)cccc1C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001138122392 1127761797 /nfs/dbraw/zinc/76/17/97/1127761797.db2.gz BLRDNWJBAGZPSV-UHFFFAOYSA-N 0 2 291.753 3.743 20 10 CHCDLN Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]1C(F)F ZINC000895434437 1123478631 /nfs/dbraw/zinc/47/86/31/1123478631.db2.gz BJSCALWZVWSYSI-VIFPVBQESA-N 0 2 282.117 3.538 20 10 CHCDLN CC[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1cc(Cl)ccc1O ZINC000817981252 1131195372 /nfs/dbraw/zinc/19/53/72/1131195372.db2.gz IAZSZOJTAWVLQH-CABCVRRESA-N 0 2 296.842 3.604 20 10 CHCDLN Oc1c(CN2CCCC[C@H](F)C2)cccc1C(F)(F)F ZINC001233415612 1132618946 /nfs/dbraw/zinc/61/89/46/1132618946.db2.gz CJVDWIDGJMLCFT-NSHDSACASA-N 0 2 291.288 3.735 20 10 CHCDLN Oc1c(Cl)cc(Cl)cc1CNC1(C(F)F)CC1 ZINC000697359784 1125306413 /nfs/dbraw/zinc/30/64/13/1125306413.db2.gz YFCWANDJDYZPML-UHFFFAOYSA-N 0 2 282.117 3.586 20 10 CHCDLN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1(C(F)F)CC1 ZINC000697359784 1125306415 /nfs/dbraw/zinc/30/64/15/1125306415.db2.gz YFCWANDJDYZPML-UHFFFAOYSA-N 0 2 282.117 3.586 20 10 CHCDLN CC[C@@H]([NH2+][C@H](CN)C1CCCC1)c1cc(Cl)ccc1O ZINC000817981254 1131195152 /nfs/dbraw/zinc/19/51/52/1131195152.db2.gz IAZSZOJTAWVLQH-HUUCEWRRSA-N 0 2 296.842 3.604 20 10 CHCDLN Oc1ccc(F)c(Cl)c1CN1CC[C@H](C(F)(F)F)C1 ZINC001237126518 1131050248 /nfs/dbraw/zinc/05/02/48/1131050248.db2.gz MHXAPRGTFXZDKX-ZETCQYMHSA-N 0 2 297.679 3.569 20 10 CHCDLN Cc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c(F)c1 ZINC000756855983 1120944934 /nfs/dbraw/zinc/94/49/34/1120944934.db2.gz CCEPVYIPKFECNS-SNVBAGLBSA-N 0 2 290.294 3.921 20 10 CHCDLN Oc1c(F)ccc(F)c1CN1Cc2ccc(Cl)cc2C1 ZINC001139686388 1131629389 /nfs/dbraw/zinc/62/93/89/1131629389.db2.gz XGMVPYJHFILGHP-UHFFFAOYSA-N 0 2 295.716 3.840 20 10 CHCDLN Oc1c(Cl)cc(Cl)cc1CN1CCn2cccc2C1 ZINC001203581007 1133342081 /nfs/dbraw/zinc/34/20/81/1133342081.db2.gz YMTYLKNVLYXORK-UHFFFAOYSA-N 0 2 297.185 3.516 20 10 CHCDLN CN(Cc1c(O)ccc(Cl)c1Cl)C1CC(F)(F)C1 ZINC001237078422 1131047025 /nfs/dbraw/zinc/04/70/25/1131047025.db2.gz SYSUGFDVUDRGPD-UHFFFAOYSA-N 0 2 296.144 3.929 20 10 CHCDLN O=[N+]([O-])c1ccc(O)c(CNc2ccc(Cl)c(F)c2)c1 ZINC000788524030 1130192666 /nfs/dbraw/zinc/19/26/66/1130192666.db2.gz SLLGSKLDZPRMGW-UHFFFAOYSA-N 0 2 296.685 3.705 20 10 CHCDLN CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(Cl)c1O ZINC000817982101 1131194734 /nfs/dbraw/zinc/19/47/34/1131194734.db2.gz POQCJPWVQCGJFI-HUUCEWRRSA-N 0 2 296.842 3.604 20 10 CHCDLN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC001233335089 1132604443 /nfs/dbraw/zinc/60/44/43/1132604443.db2.gz GZJLATSRBVTWLE-CQSZACIVSA-N 0 2 275.298 3.617 20 10 CHCDLN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC001233335089 1132604446 /nfs/dbraw/zinc/60/44/46/1132604446.db2.gz GZJLATSRBVTWLE-CQSZACIVSA-N 0 2 275.298 3.617 20 10 CHCDLN Oc1ccc(F)c(F)c1CN1CC[C@@H]1c1ccccc1 ZINC001233335089 1132604448 /nfs/dbraw/zinc/60/44/48/1132604448.db2.gz GZJLATSRBVTWLE-CQSZACIVSA-N 0 2 275.298 3.617 20 10 CHCDLN Oc1c(F)ccc(F)c1CN1CCCC[C@@H]1C(F)(F)F ZINC001139684474 1131628929 /nfs/dbraw/zinc/62/89/29/1131628929.db2.gz WDDZJSFOKDMIQG-LLVKDONJSA-N 0 2 295.251 3.587 20 10 CHCDLN C[C@]1(F)CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233415955 1127960561 /nfs/dbraw/zinc/96/05/61/1127960561.db2.gz PXGWKIDWWCVCLK-ZDUSSCGKSA-N 0 2 291.288 3.735 20 10 CHCDLN C[C@]1(F)CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233415955 1127960564 /nfs/dbraw/zinc/96/05/64/1127960564.db2.gz PXGWKIDWWCVCLK-ZDUSSCGKSA-N 0 2 291.288 3.735 20 10 CHCDLN C[C@]1(F)CCC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415955 1127960569 /nfs/dbraw/zinc/96/05/69/1127960569.db2.gz PXGWKIDWWCVCLK-ZDUSSCGKSA-N 0 2 291.288 3.735 20 10 CHCDLN CC(C)[NH2+]c1ccc(Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001201497644 1123111770 /nfs/dbraw/zinc/11/17/70/1123111770.db2.gz KCKHBTVCSWPRIR-UHFFFAOYSA-N 0 2 270.332 3.949 20 10 CHCDLN Cc1ccncc1C[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000793339476 1130540980 /nfs/dbraw/zinc/54/09/80/1130540980.db2.gz LJLORQSXVMOWGB-UHFFFAOYSA-N 0 2 294.757 3.520 20 10 CHCDLN Cc1ccncc1C[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000793339476 1130540984 /nfs/dbraw/zinc/54/09/84/1130540984.db2.gz LJLORQSXVMOWGB-UHFFFAOYSA-N 0 2 294.757 3.520 20 10 CHCDLN C[N@H+](Cc1ccc(F)cc1F)Cc1c([O-])cc(F)cc1F ZINC001140584375 1131810526 /nfs/dbraw/zinc/81/05/26/1131810526.db2.gz PDSQIZZHMVMXHY-UHFFFAOYSA-N 0 2 299.267 3.581 20 10 CHCDLN C[N@@H+](Cc1ccc(F)cc1F)Cc1c([O-])cc(F)cc1F ZINC001140584375 1131810532 /nfs/dbraw/zinc/81/05/32/1131810532.db2.gz PDSQIZZHMVMXHY-UHFFFAOYSA-N 0 2 299.267 3.581 20 10 CHCDLN Oc1c(F)c(F)ccc1CN1Cc2ccc(Cl)cc2C1 ZINC001233079200 1132570457 /nfs/dbraw/zinc/57/04/57/1132570457.db2.gz ZFUHKAKTUOCNPG-UHFFFAOYSA-N 0 2 295.716 3.840 20 10 CHCDLN C[N@H+](Cc1cccc(F)c1F)Cc1c(F)ccc(F)c1[O-] ZINC001139687996 1131628577 /nfs/dbraw/zinc/62/85/77/1131628577.db2.gz VAOSLNTWSBPMJR-UHFFFAOYSA-N 0 2 299.267 3.581 20 10 CHCDLN C[N@@H+](Cc1cccc(F)c1F)Cc1c(F)ccc(F)c1[O-] ZINC001139687996 1131628579 /nfs/dbraw/zinc/62/85/79/1131628579.db2.gz VAOSLNTWSBPMJR-UHFFFAOYSA-N 0 2 299.267 3.581 20 10 CHCDLN Oc1c(Cl)cc(Cl)cc1CN1Cc2ccncc2C1 ZINC001203579945 1133342020 /nfs/dbraw/zinc/34/20/20/1133342020.db2.gz HPQQEQKGGQIZBZ-UHFFFAOYSA-N 0 2 295.169 3.610 20 10 CHCDLN COc1ccc([N@H+](CCCCC(=O)[O-])CCC(C)C)cc1 ZINC001599584750 993598110 /nfs/dbraw/zinc/59/81/10/993598110.db2.gz WZUXIFWULJUFNH-UHFFFAOYSA-N 0 2 293.407 3.803 20 10 CHCDLN COc1ccc([N@@H+](CCCCC(=O)[O-])CCC(C)C)cc1 ZINC001599584750 993598116 /nfs/dbraw/zinc/59/81/16/993598116.db2.gz WZUXIFWULJUFNH-UHFFFAOYSA-N 0 2 293.407 3.803 20 10 CHCDLN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1c(F)cncc1F ZINC000285614419 1127239007 /nfs/dbraw/zinc/23/90/07/1127239007.db2.gz JIFGBSIEOYBOCQ-DTWKUNHWSA-N 0 2 296.292 3.616 20 10 CHCDLN C[C@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC000288410936 1128098536 /nfs/dbraw/zinc/09/85/36/1128098536.db2.gz ITIXWQRPZFNYCF-YFKPBYRVSA-N 0 2 288.096 3.739 20 10 CHCDLN CC[C@H]([NH2+][C@H](CN)C1CCCC1)c1cc(Cl)ccc1O ZINC000817981256 1131194704 /nfs/dbraw/zinc/19/47/04/1131194704.db2.gz IAZSZOJTAWVLQH-LSDHHAIUSA-N 0 2 296.842 3.604 20 10 CHCDLN Oc1cc(F)cc(F)c1CN1Cc2ccc(Cl)cc2C1 ZINC001140584310 1131809271 /nfs/dbraw/zinc/80/92/71/1131809271.db2.gz MTTNDARYUKWSOW-UHFFFAOYSA-N 0 2 295.716 3.840 20 10 CHCDLN C[C@H]([NH2+]Cc1ccon1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774211435 1122141375 /nfs/dbraw/zinc/14/13/75/1122141375.db2.gz WXORHTBEKINLOS-ZETCQYMHSA-N 0 2 287.146 3.538 20 10 CHCDLN CCc1cc(NCc2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000796453098 1129728568 /nfs/dbraw/zinc/72/85/68/1129728568.db2.gz CZQIHZYPDJZDBV-UHFFFAOYSA-N 0 2 290.294 3.614 20 10 CHCDLN O=[N+]([O-])c1ccc(O)c(CNc2ccc(C3CC3)cc2)c1 ZINC000771872680 1129992652 /nfs/dbraw/zinc/99/26/52/1129992652.db2.gz QARIWVDLRGTSRJ-UHFFFAOYSA-N 0 2 284.315 3.790 20 10 CHCDLN C[N@H+](Cc1ccc(F)cc1F)Cc1c(F)ccc(F)c1[O-] ZINC001139686110 1131628598 /nfs/dbraw/zinc/62/85/98/1131628598.db2.gz NQLAHVBPWJSLMB-UHFFFAOYSA-N 0 2 299.267 3.581 20 10 CHCDLN C[N@@H+](Cc1ccc(F)cc1F)Cc1c(F)ccc(F)c1[O-] ZINC001139686110 1131628600 /nfs/dbraw/zinc/62/86/00/1131628600.db2.gz NQLAHVBPWJSLMB-UHFFFAOYSA-N 0 2 299.267 3.581 20 10 CHCDLN Oc1c(CN2CCCC[C@@H](F)C2)cccc1C(F)(F)F ZINC001233415611 1132619186 /nfs/dbraw/zinc/61/91/86/1132619186.db2.gz CJVDWIDGJMLCFT-LLVKDONJSA-N 0 2 291.288 3.735 20 10 CHCDLN Cc1cc(C)c(NCc2cc([N+](=O)[O-])ccc2O)c(C)c1 ZINC000760633593 1127092213 /nfs/dbraw/zinc/09/22/13/1127092213.db2.gz LWEIGSCRXBIHIP-UHFFFAOYSA-N 0 2 286.331 3.838 20 10 CHCDLN C[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC000288410933 1128098358 /nfs/dbraw/zinc/09/83/58/1128098358.db2.gz ITIXWQRPZFNYCF-RXMQYKEDSA-N 0 2 288.096 3.739 20 10 CHCDLN Cc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000756794718 1120869406 /nfs/dbraw/zinc/86/94/06/1120869406.db2.gz ARUVOQFMLNFZLR-NSHDSACASA-N 0 2 272.304 3.782 20 10 CHCDLN C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1ccc(F)cc1[O-] ZINC000285614417 1127238690 /nfs/dbraw/zinc/23/86/90/1127238690.db2.gz JIFGBSIEOYBOCQ-BDAKNGLRSA-N 0 2 296.292 3.616 20 10 CHCDLN Cc1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000770402316 1129945888 /nfs/dbraw/zinc/94/58/88/1129945888.db2.gz ZFNZUHVOYYFENV-UHFFFAOYSA-N 0 2 292.722 3.874 20 10 CHCDLN CC[C@H]([NH2+][C@@H](CN)C1CCCC1)c1cc(Cl)ccc1O ZINC000817981253 1131195309 /nfs/dbraw/zinc/19/53/09/1131195309.db2.gz IAZSZOJTAWVLQH-GJZGRUSLSA-N 0 2 296.842 3.604 20 10 CHCDLN [O-]c1c(F)cccc1C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC001138129886 1131470227 /nfs/dbraw/zinc/47/02/27/1131470227.db2.gz XWMUHZFYJKLMFR-UHFFFAOYSA-N 0 2 291.753 3.743 20 10 CHCDLN [O-]c1c(F)cccc1C[N@H+]1CCc2cccc(Cl)c2C1 ZINC001138129886 1131470229 /nfs/dbraw/zinc/47/02/29/1131470229.db2.gz XWMUHZFYJKLMFR-UHFFFAOYSA-N 0 2 291.753 3.743 20 10 CHCDLN Oc1c(Cl)cc(Cl)cc1CN1CCC(F)(F)C1 ZINC000313311313 1120705810 /nfs/dbraw/zinc/70/58/10/1120705810.db2.gz HOCISCDUXOSJGU-UHFFFAOYSA-N 0 2 282.117 3.540 20 10 CHCDLN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC001233335088 1132604345 /nfs/dbraw/zinc/60/43/45/1132604345.db2.gz GZJLATSRBVTWLE-AWEZNQCLSA-N 0 2 275.298 3.617 20 10 CHCDLN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@H]1c1ccccc1 ZINC001233335088 1132604346 /nfs/dbraw/zinc/60/43/46/1132604346.db2.gz GZJLATSRBVTWLE-AWEZNQCLSA-N 0 2 275.298 3.617 20 10 CHCDLN Oc1ccc(F)c(F)c1CN1CC[C@H]1c1ccccc1 ZINC001233335088 1132604348 /nfs/dbraw/zinc/60/43/48/1132604348.db2.gz GZJLATSRBVTWLE-AWEZNQCLSA-N 0 2 275.298 3.617 20 10 CHCDLN Oc1c(Cl)cc(Cl)cc1CN1CCCC(F)(F)C1 ZINC000404878044 1134950468 /nfs/dbraw/zinc/95/04/68/1134950468.db2.gz XVLIJNIJBQUCSP-UHFFFAOYSA-N 0 2 296.144 3.930 20 10 CHCDLN CSc1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1 ZINC000114759658 1117865793 /nfs/dbraw/zinc/86/57/93/1117865793.db2.gz AINQHXLVFVFCQY-UHFFFAOYSA-N 0 2 290.344 3.634 20 10 CHCDLN Cc1cc(Cl)ccc1NCc1cc([N+](=O)[O-])ccc1O ZINC001178365740 1121783397 /nfs/dbraw/zinc/78/33/97/1121783397.db2.gz QJWHRLKHBNTTNU-UHFFFAOYSA-N 0 2 292.722 3.874 20 10 CHCDLN O=[N+]([O-])c1ccc(O)c(CNc2ccc3occc3c2)c1 ZINC000864017594 1123909810 /nfs/dbraw/zinc/90/98/10/1123909810.db2.gz SEIFAKHXACJZGQ-UHFFFAOYSA-N 0 2 284.271 3.659 20 10 CHCDLN Cc1ccc2c(c1)CCN(Cc1c(O)ccc(F)c1F)C2 ZINC001233336445 1132603278 /nfs/dbraw/zinc/60/32/78/1132603278.db2.gz LTLQULPGALHXKA-UHFFFAOYSA-N 0 2 289.325 3.537 20 10 CHCDLN [O-]c1c(CNc2cccc3cc[nH+]cc32)ccc(F)c1F ZINC000864028281 1123911298 /nfs/dbraw/zinc/91/12/98/1123911298.db2.gz MJUZUCQDOUWGFP-UHFFFAOYSA-N 0 2 286.281 3.831 20 10 CHCDLN Oc1ccc(F)c(Cl)c1CN1CC[C@@H](C(F)(F)F)C1 ZINC001237126517 1131051839 /nfs/dbraw/zinc/05/18/39/1131051839.db2.gz MHXAPRGTFXZDKX-SSDOTTSWSA-N 0 2 297.679 3.569 20 10 CHCDLN C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)c1ccc(F)cc1[O-] ZINC000285614425 1127238843 /nfs/dbraw/zinc/23/88/43/1127238843.db2.gz JIFGBSIEOYBOCQ-RKDXNWHRSA-N 0 2 296.292 3.616 20 10 CHCDLN Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]1C(F)F ZINC000895434436 1123478662 /nfs/dbraw/zinc/47/86/62/1123478662.db2.gz BJSCALWZVWSYSI-SECBINFHSA-N 0 2 282.117 3.538 20 10 CHCDLN Oc1c(Cl)cc(Cl)cc1CN1C[C@@H](F)C[C@H]1CF ZINC001203574493 1122235133 /nfs/dbraw/zinc/23/51/33/1122235133.db2.gz YMBXQRNTBYHDLG-UWVGGRQHSA-N 0 2 296.144 3.581 20 10 CHCDLN [O-]c1c(CNc2ccc3c[nH+]ccc3c2)ccc(F)c1F ZINC000864038179 1123912424 /nfs/dbraw/zinc/91/24/24/1123912424.db2.gz IDZYHQNEASVDBP-UHFFFAOYSA-N 0 2 286.281 3.831 20 10 CHCDLN CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(Cl)c1O ZINC000817982097 1131195221 /nfs/dbraw/zinc/19/52/21/1131195221.db2.gz POQCJPWVQCGJFI-CABCVRRESA-N 0 2 296.842 3.604 20 10 CHCDLN C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1ccc(F)cc1[O-] ZINC000285614422 1127238884 /nfs/dbraw/zinc/23/88/84/1127238884.db2.gz JIFGBSIEOYBOCQ-IUCAKERBSA-N 0 2 296.292 3.616 20 10 CHCDLN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000689903360 1127909037 /nfs/dbraw/zinc/90/90/37/1127909037.db2.gz HMFACOHCGMMEEO-SNVBAGLBSA-N 0 2 278.154 3.633 20 10 CHCDLN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](F)C1 ZINC000689903360 1127909040 /nfs/dbraw/zinc/90/90/40/1127909040.db2.gz HMFACOHCGMMEEO-SNVBAGLBSA-N 0 2 278.154 3.633 20 10 CHCDLN Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@H](F)C1 ZINC000689903360 1127909043 /nfs/dbraw/zinc/90/90/43/1127909043.db2.gz HMFACOHCGMMEEO-SNVBAGLBSA-N 0 2 278.154 3.633 20 10 CHCDLN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](F)C1 ZINC000689903351 1127909226 /nfs/dbraw/zinc/90/92/26/1127909226.db2.gz HMFACOHCGMMEEO-JTQLQIEISA-N 0 2 278.154 3.633 20 10 CHCDLN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](F)C1 ZINC000689903351 1127909229 /nfs/dbraw/zinc/90/92/29/1127909229.db2.gz HMFACOHCGMMEEO-JTQLQIEISA-N 0 2 278.154 3.633 20 10 CHCDLN Oc1c(Cl)cc(Cl)cc1CN1CCC[C@H](F)C1 ZINC000689903351 1127909231 /nfs/dbraw/zinc/90/92/31/1127909231.db2.gz HMFACOHCGMMEEO-JTQLQIEISA-N 0 2 278.154 3.633 20 10 CHCDLN Cc1ccc(Cl)cc1NCc1cc([N+](=O)[O-])ccc1O ZINC001648882255 1118270111 /nfs/dbraw/zinc/27/01/11/1118270111.db2.gz DLEWWZGFNIBLFC-UHFFFAOYSA-N 0 2 292.722 3.874 20 10 CHCDLN Cc1ccc(NCc2cc([N+](=O)[O-])ccc2O)c(C)c1 ZINC000133176579 1118793854 /nfs/dbraw/zinc/79/38/54/1118793854.db2.gz BWEVCMSYAZMEEV-UHFFFAOYSA-N 0 2 272.304 3.529 20 10 CHCDLN CCc1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1C ZINC000769709673 1129921263 /nfs/dbraw/zinc/92/12/63/1129921263.db2.gz JADIKPWFAAJOCK-UHFFFAOYSA-N 0 2 286.331 3.783 20 10 CHCDLN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCc2occc2C1 ZINC001203582237 1133342437 /nfs/dbraw/zinc/34/24/37/1133342437.db2.gz YVEJJBQCNSCVJB-UHFFFAOYSA-N 0 2 298.169 3.850 20 10 CHCDLN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCc2occc2C1 ZINC001203582237 1133342443 /nfs/dbraw/zinc/34/24/43/1133342443.db2.gz YVEJJBQCNSCVJB-UHFFFAOYSA-N 0 2 298.169 3.850 20 10 CHCDLN CCCc1ccccc1NCc1cc([N+](=O)[O-])ccc1O ZINC001648883965 1118271216 /nfs/dbraw/zinc/27/12/16/1118271216.db2.gz FTKKVNOOPOFBNK-UHFFFAOYSA-N 0 2 286.331 3.865 20 10 CHCDLN Oc1c(F)ccc(F)c1CN1CCCC[C@H]1C(F)(F)F ZINC001139684475 1131629201 /nfs/dbraw/zinc/62/92/01/1131629201.db2.gz WDDZJSFOKDMIQG-NSHDSACASA-N 0 2 295.251 3.587 20 10 CHCDLN Oc1c(Cl)cc(Cl)cc1CN1Cc2cccnc2C1 ZINC001203571083 1122228219 /nfs/dbraw/zinc/22/82/19/1122228219.db2.gz HDOVEFCLIKYXAV-UHFFFAOYSA-N 0 2 295.169 3.610 20 10 CHCDLN Oc1c(Cl)cc(Cl)cc1CN(CC(F)F)C1CC1 ZINC000093276638 1129420552 /nfs/dbraw/zinc/42/05/52/1129420552.db2.gz HIWXOIQGMQLBPK-UHFFFAOYSA-N 0 2 296.144 3.929 20 10 CHCDLN Oc1c(Cl)cc(Cl)cc1CN1CC(F)(C2CC2)C1 ZINC001203574192 1133341750 /nfs/dbraw/zinc/34/17/50/1133341750.db2.gz OPMAJGVYZVOVRZ-UHFFFAOYSA-N 0 2 290.165 3.633 20 10 CHCDLN C[C@@]1(F)CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233415954 1127960356 /nfs/dbraw/zinc/96/03/56/1127960356.db2.gz PXGWKIDWWCVCLK-CYBMUJFWSA-N 0 2 291.288 3.735 20 10 CHCDLN C[C@@]1(F)CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233415954 1127960360 /nfs/dbraw/zinc/96/03/60/1127960360.db2.gz PXGWKIDWWCVCLK-CYBMUJFWSA-N 0 2 291.288 3.735 20 10 CHCDLN C[C@@]1(F)CCC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415954 1127960367 /nfs/dbraw/zinc/96/03/67/1127960367.db2.gz PXGWKIDWWCVCLK-CYBMUJFWSA-N 0 2 291.288 3.735 20 10 CHCDLN C[C@@H]([NH2+]Cc1ccon1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774211430 1122141186 /nfs/dbraw/zinc/14/11/86/1122141186.db2.gz WXORHTBEKINLOS-SSDOTTSWSA-N 0 2 287.146 3.538 20 10 CHCDLN CCN(Cc1cc(Cl)cc(Cl)c1O)CC(F)F ZINC000184092580 1129163128 /nfs/dbraw/zinc/16/31/28/1129163128.db2.gz KWVISECRCCGOHE-UHFFFAOYSA-N 0 2 284.133 3.786 20 10 CHCDLN CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(Cl)c1O ZINC000817982220 1131194925 /nfs/dbraw/zinc/19/49/25/1131194925.db2.gz POQCJPWVQCGJFI-LSDHHAIUSA-N 0 2 296.842 3.604 20 10 CHCDLN CC1(C)CN(Cc2cccc(F)c2O)[C@H]1c1ccncc1 ZINC000293980099 1127538516 /nfs/dbraw/zinc/53/85/16/1127538516.db2.gz REYPQJXMCWLVEO-INIZCTEOSA-N 0 2 286.350 3.509 20 10 CHCDLN CC1(C)C[N@H+](Cc2cccc(F)c2[O-])[C@H]1c1ccncc1 ZINC000293980099 1127538521 /nfs/dbraw/zinc/53/85/21/1127538521.db2.gz REYPQJXMCWLVEO-INIZCTEOSA-N 0 2 286.350 3.509 20 10 CHCDLN CC1(C)C[N@@H+](Cc2cccc(F)c2[O-])[C@H]1c1ccncc1 ZINC000293980099 1127538522 /nfs/dbraw/zinc/53/85/22/1127538522.db2.gz REYPQJXMCWLVEO-INIZCTEOSA-N 0 2 286.350 3.509 20 10 CHCDLN Oc1c(F)c(F)ccc1CN1Cc2cccc(Cl)c2C1 ZINC001233078766 1132569511 /nfs/dbraw/zinc/56/95/11/1132569511.db2.gz JEULPFHCLMRPCX-UHFFFAOYSA-N 0 2 295.716 3.840 20 10 CHCDLN