smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccc(F)cc1C[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000896423489 620007162 /nfs/dbraw/zinc/00/71/62/620007162.db2.gz SHLYDGFZJLCDHQ-CJNGLKHVSA-N -1 2 291.297 3.093 20 10 CGCDLM C[N@H+](Cc1cccc(Cl)c1O)[C@@H](CO)c1ccccc1 ZINC000295062893 372690308 /nfs/dbraw/zinc/69/03/08/372690308.db2.gz OOIGFCSWVBYPFP-HNNXBMFYSA-N -1 2 291.778 3.211 20 10 CGCDLM CCC[N@@H+](Cc1c(O)ccc2ccncc21)CC(F)F ZINC000748304946 572973149 /nfs/dbraw/zinc/97/31/49/572973149.db2.gz YBPBVEDNQNNYDI-UHFFFAOYSA-N -1 2 280.318 3.418 20 10 CGCDLM CC[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)[C@@H](CC)CO1 ZINC000708422323 799988836 /nfs/dbraw/zinc/98/88/36/799988836.db2.gz MJYCEPUHURNHCO-QWHCGFSZSA-N -1 2 285.334 3.060 20 10 CGCDLM Oc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001233334348 818584811 /nfs/dbraw/zinc/58/48/11/818584811.db2.gz CIMVVACDZLUQGS-AWEZNQCLSA-N -1 2 290.313 3.403 20 10 CGCDLM Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001237799177 819845218 /nfs/dbraw/zinc/84/52/18/819845218.db2.gz DSTZZDDWUBNCAB-YGRLFVJLSA-N -1 2 299.773 3.186 20 10 CGCDLM Cc1ncc(C[N@@H+](C)Cc2cc(F)cc(F)c2O)s1 ZINC000893966114 619341519 /nfs/dbraw/zinc/34/15/19/619341519.db2.gz HFBKPJNKLHCDPB-UHFFFAOYSA-N -1 2 284.331 3.067 20 10 CGCDLM Oc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001233334754 818585658 /nfs/dbraw/zinc/58/56/58/818585658.db2.gz RZPWQZSMUXTUSN-CQSZACIVSA-N -1 2 290.313 3.403 20 10 CGCDLM Cn1c2ccccc2nc1C[N@H+](C)Cc1cc(F)ccc1O ZINC000180148061 619013124 /nfs/dbraw/zinc/01/31/24/619013124.db2.gz IEZIRHKLDMJJIV-UHFFFAOYSA-N -1 2 299.349 3.050 20 10 CGCDLM Oc1cccc(F)c1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC001137840033 803781377 /nfs/dbraw/zinc/78/13/77/803781377.db2.gz PSBHNVTUKAUZMS-UHFFFAOYSA-N -1 2 279.355 3.066 20 10 CGCDLM C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1O)c1cn[nH]c1 ZINC000229883176 329358366 /nfs/dbraw/zinc/35/83/66/329358366.db2.gz RPAFTLXQOUYHIM-SSDOTTSWSA-N -1 2 286.162 3.273 20 10 CGCDLM C[C@@]1(F)CC[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1F ZINC001140462521 804440627 /nfs/dbraw/zinc/44/06/27/804440627.db2.gz IBMHYWRAPUNXTJ-QWHCGFSZSA-N -1 2 275.726 3.318 20 10 CGCDLM C[N@H+](Cc1ccc(F)cc1)Cc1c(O)ccc(F)c1F ZINC001233331557 818582838 /nfs/dbraw/zinc/58/28/38/818582838.db2.gz BFOICXQIUFDNEV-UHFFFAOYSA-N -1 2 281.277 3.442 20 10 CGCDLM Cc1ccncc1C[N@H+](C)Cc1cccc(Cl)c1O ZINC000793335904 629445137 /nfs/dbraw/zinc/44/51/37/629445137.db2.gz IZEHHYICNBZEHT-UHFFFAOYSA-N -1 2 276.767 3.381 20 10 CGCDLM C[N@H+](Cc1cscn1)Cc1cc(Cl)ccc1O ZINC000120226436 629903378 /nfs/dbraw/zinc/90/33/78/629903378.db2.gz ZZSMAWUDMDVXOU-UHFFFAOYSA-N -1 2 268.769 3.134 20 10 CGCDLM Oc1c(F)cccc1C[N@@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001138123609 803863209 /nfs/dbraw/zinc/86/32/09/803863209.db2.gz CDYJPHCRFMVKEO-NSHDSACASA-N -1 2 277.261 3.101 20 10 CGCDLM O=C1CC[N@@H+](Cc2ccc(Cl)cc2O)[C@@H]2CCCC[C@H]12 ZINC001140461732 804441086 /nfs/dbraw/zinc/44/10/86/804441086.db2.gz SERJRGZQEFSLDT-UONOGXRCSA-N -1 2 293.794 3.379 20 10 CGCDLM C[N@@H+](Cc1ccccc1O)Cc1cc(F)c(O)cc1F ZINC001144659599 805027077 /nfs/dbraw/zinc/02/70/77/805027077.db2.gz MWEVJYBULCXHLE-UHFFFAOYSA-N -1 2 279.286 3.008 20 10 CGCDLM Oc1cc(Cl)ccc1C[NH+]1CC(C(F)(F)F)C1 ZINC001181860892 810077370 /nfs/dbraw/zinc/07/73/70/810077370.db2.gz PENZWBCNXYWNFM-UHFFFAOYSA-N -1 2 265.662 3.040 20 10 CGCDLM Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001233334308 818583871 /nfs/dbraw/zinc/58/38/71/818583871.db2.gz BKJYFMIHWDBDHC-SSDOTTSWSA-N -1 2 281.224 3.055 20 10 CGCDLM C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1O ZINC001233073727 818517647 /nfs/dbraw/zinc/51/76/47/818517647.db2.gz CHGGJGZXOXUBQX-UHFFFAOYSA-N -1 2 281.277 3.442 20 10 CGCDLM Oc1ccc(F)c(F)c1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC001233334753 818586101 /nfs/dbraw/zinc/58/61/01/818586101.db2.gz RZPWQZSMUXTUSN-AWEZNQCLSA-N -1 2 290.313 3.403 20 10 CGCDLM Cc1ncsc1C[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000893999238 619348545 /nfs/dbraw/zinc/34/85/45/619348545.db2.gz AWBMHABWMUXZQO-UHFFFAOYSA-N -1 2 284.331 3.067 20 10 CGCDLM Cc1ncccc1C[N@H+](C)Cc1ccc(F)c(F)c1O ZINC001233078973 818519417 /nfs/dbraw/zinc/51/94/17/818519417.db2.gz QJADAPGHZUUOHS-UHFFFAOYSA-N -1 2 278.302 3.006 20 10 CGCDLM C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1O)c1cn[nH]c1 ZINC000229883180 329358396 /nfs/dbraw/zinc/35/83/96/329358396.db2.gz RPAFTLXQOUYHIM-ZETCQYMHSA-N -1 2 286.162 3.273 20 10 CGCDLM CC(C)([NH2+]Cc1cc(Br)ccc1O)C(F)F ZINC000309700208 618765286 /nfs/dbraw/zinc/76/52/86/618765286.db2.gz SODNNBFRPORIMR-UHFFFAOYSA-N -1 2 294.139 3.288 20 10 CGCDLM CC(C)n1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000816552284 632009036 /nfs/dbraw/zinc/00/90/36/632009036.db2.gz HIMJJWXCKVLLMK-UHFFFAOYSA-N -1 2 297.761 3.252 20 10 CGCDLM CC[N@H+](Cc1ccccc1O)Cc1c(O)cc(F)cc1F ZINC001140584491 804468487 /nfs/dbraw/zinc/46/84/87/804468487.db2.gz TYKKSLHQHLONHW-UHFFFAOYSA-N -1 2 293.313 3.398 20 10 CGCDLM CC[N@@H+](Cc1ccccc1O)Cc1c(O)cc(F)cc1F ZINC001140584491 804468491 /nfs/dbraw/zinc/46/84/91/804468491.db2.gz TYKKSLHQHLONHW-UHFFFAOYSA-N -1 2 293.313 3.398 20 10 CGCDLM Oc1c(C[N@H+]2CC[C@H](F)C(F)(F)CC2)ccc(F)c1F ZINC001233074829 818516635 /nfs/dbraw/zinc/51/66/35/818516635.db2.gz XRXXXUUNNLEADO-JTQLQIEISA-N -1 2 295.251 3.240 20 10 CGCDLM Cc1csc(C[NH2+][C@H](C)c2c(O)cccc2F)n1 ZINC000886498943 637543439 /nfs/dbraw/zinc/54/34/39/637543439.db2.gz VGNZXLYEEYYAKB-SECBINFHSA-N -1 2 266.341 3.147 20 10 CGCDLM C[C@@H]1c2cccn2CC[N@H+]1Cc1c(O)cccc1Cl ZINC000768161622 627464147 /nfs/dbraw/zinc/46/41/47/627464147.db2.gz ITFJULXGJTVOIG-LLVKDONJSA-N -1 2 276.767 3.424 20 10 CGCDLM C[C@]1(F)CC[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1F ZINC001140462520 804441617 /nfs/dbraw/zinc/44/16/17/804441617.db2.gz IBMHYWRAPUNXTJ-OLZOCXBDSA-N -1 2 275.726 3.318 20 10 CGCDLM C[N@H+](Cc1ccco1)Cc1c(O)cccc1Br ZINC001180359378 809995604 /nfs/dbraw/zinc/99/56/04/809995604.db2.gz JYHNZNREFYUOLB-UHFFFAOYSA-N -1 2 296.164 3.380 20 10 CGCDLM Cc1cc(O)c(C[N@H+](C)Cc2cscn2)cc1Cl ZINC000824627075 633265564 /nfs/dbraw/zinc/26/55/64/633265564.db2.gz HLSWCLMPMUENAN-UHFFFAOYSA-N -1 2 282.796 3.443 20 10 CGCDLM C[C@H]1c2cccn2CC[N@H+]1Cc1c(O)cccc1Cl ZINC000768161623 627464275 /nfs/dbraw/zinc/46/42/75/627464275.db2.gz ITFJULXGJTVOIG-NSHDSACASA-N -1 2 276.767 3.424 20 10 CGCDLM O=C1CC[N@@H+](Cc2ccc(Cl)cc2O)[C@@H]2CCCC[C@@H]12 ZINC001140461733 804441818 /nfs/dbraw/zinc/44/18/18/804441818.db2.gz SERJRGZQEFSLDT-ZIAGYGMSSA-N -1 2 293.794 3.379 20 10 CGCDLM Oc1ccc(F)cc1C[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000896423490 620007188 /nfs/dbraw/zinc/00/71/88/620007188.db2.gz SHLYDGFZJLCDHQ-CZUORRHYSA-N -1 2 291.297 3.093 20 10 CGCDLM O=C1CC[N@@H+](Cc2ccc(Cl)cc2O)[C@H]2CCCC[C@H]12 ZINC001140461730 804441028 /nfs/dbraw/zinc/44/10/28/804441028.db2.gz SERJRGZQEFSLDT-KBPBESRZSA-N -1 2 293.794 3.379 20 10 CGCDLM Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2O)on1 ZINC000893994337 619345132 /nfs/dbraw/zinc/34/51/32/619345132.db2.gz DEGVGDHOWXFXLK-CYBMUJFWSA-N -1 2 294.301 3.304 20 10 CGCDLM C[N@@H+](Cc1ccc[nH]1)Cc1cccc(Cl)c1O ZINC000775734414 628130402 /nfs/dbraw/zinc/13/04/02/628130402.db2.gz OTLOPRNDPZPBLJ-UHFFFAOYSA-N -1 2 250.729 3.006 20 10 CGCDLM C[N@@H+](Cc1ccc[nH]1)Cc1cc(Cl)cc(F)c1O ZINC000775732823 628130481 /nfs/dbraw/zinc/13/04/81/628130481.db2.gz BEHAVODNQWTEOA-UHFFFAOYSA-N -1 2 268.719 3.145 20 10 CGCDLM C[N@@H+](Cc1cccc(O)c1)Cc1ccc(F)c(F)c1O ZINC001233074801 818517398 /nfs/dbraw/zinc/51/73/98/818517398.db2.gz XHTXEMPAKDTHHC-UHFFFAOYSA-N -1 2 279.286 3.008 20 10 CGCDLM Cc1csc(C[NH2+][C@@H](C)c2c(O)cccc2F)n1 ZINC000886498944 637543336 /nfs/dbraw/zinc/54/33/36/637543336.db2.gz VGNZXLYEEYYAKB-VIFPVBQESA-N -1 2 266.341 3.147 20 10 CGCDLM CC[N@H+](Cc1ccccn1)Cc1cc(F)cc(F)c1O ZINC000894019683 619350824 /nfs/dbraw/zinc/35/08/24/619350824.db2.gz ATPZGPXIMNUJJO-UHFFFAOYSA-N -1 2 278.302 3.088 20 10 CGCDLM Oc1c(Cl)cccc1C[N@H+]1CCCC[C@H](F)C1 ZINC001231909614 818209506 /nfs/dbraw/zinc/20/95/06/818209506.db2.gz GMBAZRPBTMSROD-NSHDSACASA-N -1 2 257.736 3.370 20 10 CGCDLM C[C@]1(F)CCCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233332685 818586773 /nfs/dbraw/zinc/58/67/73/818586773.db2.gz UOCNCSIBKJGKSE-AWEZNQCLSA-N -1 2 273.298 3.385 20 10 CGCDLM CSCc1cnc(C[N@@H+](C)Cc2ccccc2O)s1 ZINC000295453726 372788118 /nfs/dbraw/zinc/78/81/18/372788118.db2.gz VJNUWIHGQMVDBI-UHFFFAOYSA-N -1 2 294.445 3.344 20 10 CGCDLM C[C@]1(F)CC[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1F ZINC001140462523 804440566 /nfs/dbraw/zinc/44/05/66/804440566.db2.gz IBMHYWRAPUNXTJ-STQMWFEESA-N -1 2 275.726 3.318 20 10 CGCDLM Oc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001233334349 818586322 /nfs/dbraw/zinc/58/63/22/818586322.db2.gz CIMVVACDZLUQGS-CQSZACIVSA-N -1 2 290.313 3.403 20 10 CGCDLM Oc1cc(Cl)c(F)cc1C[NH+]1CC(c2cccnc2)C1 ZINC001237948260 819892289 /nfs/dbraw/zinc/89/22/89/819892289.db2.gz BOYCHTFLIYTFEB-UHFFFAOYSA-N -1 2 292.741 3.179 20 10 CGCDLM CC[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)[C@H](CC)CO1 ZINC000708422319 799988611 /nfs/dbraw/zinc/98/86/11/799988611.db2.gz MJYCEPUHURNHCO-CHWSQXEVSA-N -1 2 285.334 3.060 20 10 CGCDLM C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccn1 ZINC000776071646 628161691 /nfs/dbraw/zinc/16/16/91/628161691.db2.gz ZEZRCBJITIOIPD-VIFPVBQESA-N -1 2 280.730 3.431 20 10 CGCDLM C[C@H]1C[C@@H](CF)[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231910647 818208801 /nfs/dbraw/zinc/20/88/01/818208801.db2.gz PRVLEDCVFLOKRN-ONGXEEELSA-N -1 2 257.736 3.226 20 10 CGCDLM COc1cccc(C[N@H+](C)Cc2c(O)ccc(F)c2F)c1 ZINC001233334715 818585265 /nfs/dbraw/zinc/58/52/65/818585265.db2.gz QPFRPSICHVIPGF-UHFFFAOYSA-N -1 2 293.313 3.311 20 10 CGCDLM Oc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001233334600 818586203 /nfs/dbraw/zinc/58/62/03/818586203.db2.gz NASOLOFPJDSWNW-QMMMGPOBSA-N -1 2 295.251 3.445 20 10 CGCDLM Oc1c(F)cccc1C[N@@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001138123608 803863121 /nfs/dbraw/zinc/86/31/21/803863121.db2.gz CDYJPHCRFMVKEO-LLVKDONJSA-N -1 2 277.261 3.101 20 10 CGCDLM C[C@H]1CSCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816512128 631997267 /nfs/dbraw/zinc/99/72/67/631997267.db2.gz XWMDFTBRFPVVOZ-QMMMGPOBSA-N -1 2 275.776 3.122 20 10 CGCDLM C[N@H+](Cc1cccs1)Cc1c(O)ccc(F)c1F ZINC001233334893 818584887 /nfs/dbraw/zinc/58/48/87/818584887.db2.gz YMTKFDMECDYCSF-UHFFFAOYSA-N -1 2 269.316 3.364 20 10 CGCDLM Cc1ccc([C@@H]2COCC[N@H+]2Cc2cc(F)ccc2O)o1 ZINC000180166497 373971814 /nfs/dbraw/zinc/97/18/14/373971814.db2.gz NCSDXCNEBCYQFV-AWEZNQCLSA-N -1 2 291.322 3.006 20 10 CGCDLM Oc1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC001237798700 819845089 /nfs/dbraw/zinc/84/50/89/819845089.db2.gz LSOZJIMALFYHKV-SECBINFHSA-N -1 2 275.726 3.366 20 10 CGCDLM Oc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001233331531 818582418 /nfs/dbraw/zinc/58/24/18/818582418.db2.gz AANNAHBDIAEBSW-AWEZNQCLSA-N -1 2 290.313 3.403 20 10 CGCDLM CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cc(F)cc(F)c1O ZINC000708422321 799989121 /nfs/dbraw/zinc/98/91/21/799989121.db2.gz MJYCEPUHURNHCO-OLZOCXBDSA-N -1 2 285.334 3.060 20 10 CGCDLM Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001237799175 819844307 /nfs/dbraw/zinc/84/43/07/819844307.db2.gz DSTZZDDWUBNCAB-QMTHXVAHSA-N -1 2 299.773 3.186 20 10 CGCDLM CCn1cc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816512910 631997815 /nfs/dbraw/zinc/99/78/15/631997815.db2.gz ZFDPXFSBFAPGAX-UHFFFAOYSA-N -1 2 297.761 3.033 20 10 CGCDLM C[N@H+](Cc1ccccn1)Cc1cc(F)c(Cl)cc1O ZINC001237947966 819892546 /nfs/dbraw/zinc/89/25/46/819892546.db2.gz VOOYWEVBAOGZIH-UHFFFAOYSA-N -1 2 280.730 3.212 20 10 CGCDLM Oc1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC001137838699 803781093 /nfs/dbraw/zinc/78/10/93/803781093.db2.gz HYTYMOXWVRTIFB-GFCCVEGCSA-N -1 2 278.352 3.325 20 10 CGCDLM Oc1cc(F)cc(F)c1C[N@@H+]1CCCCC12CC2 ZINC001140584586 804468750 /nfs/dbraw/zinc/46/87/50/804468750.db2.gz XSVZBCDZQMJDBQ-UHFFFAOYSA-N -1 2 253.292 3.189 20 10 CGCDLM C[C@H]1C[N@H+](Cc2c(O)ccc(F)c2F)CCC1(F)F ZINC001233332265 818584937 /nfs/dbraw/zinc/58/49/37/818584937.db2.gz FJWFCCQFNVYDDJ-QMMMGPOBSA-N -1 2 277.261 3.148 20 10 CGCDLM Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001237799171 819845024 /nfs/dbraw/zinc/84/50/24/819845024.db2.gz DSTZZDDWUBNCAB-HZMBPMFUSA-N -1 2 299.773 3.186 20 10 CGCDLM COc1ccccc1C[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000893882501 619326466 /nfs/dbraw/zinc/32/64/66/619326466.db2.gz KAFNVVHYYRFJPQ-UHFFFAOYSA-N -1 2 293.313 3.311 20 10 CGCDLM Oc1cccc(F)c1C[N@@H+]1CCC[C@H]1c1nccs1 ZINC001137838700 803780032 /nfs/dbraw/zinc/78/00/32/803780032.db2.gz HYTYMOXWVRTIFB-LBPRGKRZSA-N -1 2 278.352 3.325 20 10 CGCDLM Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001233334309 818586632 /nfs/dbraw/zinc/58/66/32/818586632.db2.gz BKJYFMIHWDBDHC-ZETCQYMHSA-N -1 2 281.224 3.055 20 10 CGCDLM Oc1c(Cl)cccc1C[NH+]1CCC(n2cccn2)CC1 ZINC000360466899 381551496 /nfs/dbraw/zinc/55/14/96/381551496.db2.gz OUZBLURHDWDQBF-UHFFFAOYSA-N -1 2 291.782 3.079 20 10 CGCDLM C[N@H+](Cc1ccsc1)Cc1c(O)cccc1F ZINC001137838697 803781623 /nfs/dbraw/zinc/78/16/23/803781623.db2.gz HXJJUKSTRFMFKI-UHFFFAOYSA-N -1 2 251.326 3.225 20 10 CGCDLM O=C1CC[N@@H+](Cc2ccc(Cl)cc2O)[C@H]2CCCC[C@@H]12 ZINC001140461731 804441796 /nfs/dbraw/zinc/44/17/96/804441796.db2.gz SERJRGZQEFSLDT-KGLIPLIRSA-N -1 2 293.794 3.379 20 10 CGCDLM Oc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001233331532 818581517 /nfs/dbraw/zinc/58/15/17/818581517.db2.gz AANNAHBDIAEBSW-CQSZACIVSA-N -1 2 290.313 3.403 20 10 CGCDLM Cc1cnc(C(C)(C)[NH2+]Cc2cc(F)cc(F)c2O)s1 ZINC000883030509 636512821 /nfs/dbraw/zinc/51/28/21/636512821.db2.gz LLHCDJUOEIOVDY-UHFFFAOYSA-N -1 2 298.358 3.460 20 10 CGCDLM CC[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)[C@@H](CC)CO1 ZINC000708422325 799989145 /nfs/dbraw/zinc/98/91/45/799989145.db2.gz MJYCEPUHURNHCO-STQMWFEESA-N -1 2 285.334 3.060 20 10 CGCDLM C[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2F)CCC1(F)F ZINC001233332264 818586513 /nfs/dbraw/zinc/58/65/13/818586513.db2.gz FJWFCCQFNVYDDJ-MRVPVSSYSA-N -1 2 277.261 3.148 20 10 CGCDLM Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237799173 819845525 /nfs/dbraw/zinc/84/55/25/819845525.db2.gz DSTZZDDWUBNCAB-IINYFYTJSA-N -1 2 299.773 3.186 20 10 CGCDLM Cc1ccoc1C[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000877546653 635082634 /nfs/dbraw/zinc/08/26/34/635082634.db2.gz VOEUZERBHHNUJY-UHFFFAOYSA-N -1 2 267.275 3.204 20 10 CGCDLM Oc1ccc(F)cc1C[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC001140056296 804362350 /nfs/dbraw/zinc/36/23/50/804362350.db2.gz PZDLAXLHMLUCHQ-UHFFFAOYSA-N -1 2 293.288 3.368 20 10 CGCDLM Oc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001233334599 818585203 /nfs/dbraw/zinc/58/52/03/818585203.db2.gz NASOLOFPJDSWNW-MRVPVSSYSA-N -1 2 295.251 3.445 20 10 CGCDLM COc1ccc(C[N@H+](C)Cc2c(O)ccc(F)c2F)cc1 ZINC001233332734 818584378 /nfs/dbraw/zinc/58/43/78/818584378.db2.gz WGDOPUJZZJVSLZ-UHFFFAOYSA-N -1 2 293.313 3.311 20 10 CGCDLM Cc1ccc([C@H]2COCC[N@H+]2Cc2cc(F)ccc2O)o1 ZINC000180166512 373971644 /nfs/dbraw/zinc/97/16/44/373971644.db2.gz NCSDXCNEBCYQFV-CQSZACIVSA-N -1 2 291.322 3.006 20 10 CGCDLM Oc1ccc2c(c1)CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231910920 818209172 /nfs/dbraw/zinc/20/91/72/818209172.db2.gz VUSPZDJQUBTYTI-UHFFFAOYSA-N -1 2 289.762 3.310 20 10 CGCDLM Oc1c(Cl)cc(F)cc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001237799241 819845602 /nfs/dbraw/zinc/84/56/02/819845602.db2.gz GAFNPVPLZJWMIJ-SCZZXKLOSA-N -1 2 291.700 3.272 20 10 CGCDLM Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2O)on1 ZINC000893994338 619345427 /nfs/dbraw/zinc/34/54/27/619345427.db2.gz DEGVGDHOWXFXLK-ZDUSSCGKSA-N -1 2 294.301 3.304 20 10 CGCDLM C[N@@H+](Cc1ccccc1O)Cc1c(F)ccc(O)c1F ZINC000816493058 631992132 /nfs/dbraw/zinc/99/21/32/631992132.db2.gz NPMVCDFQVFYNMQ-UHFFFAOYSA-N -1 2 279.286 3.008 20 10 CGCDLM Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237623384 819788738 /nfs/dbraw/zinc/78/87/38/819788738.db2.gz MKSRXKBCNNINGJ-PELKAZGASA-N -1 2 255.720 3.169 20 10 CGCDLM Oc1ccc(F)cc1C[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000896423488 620007020 /nfs/dbraw/zinc/00/70/20/620007020.db2.gz SHLYDGFZJLCDHQ-BBRMVZONSA-N -1 2 291.297 3.093 20 10 CGCDLM C[N@H+](Cc1nc2ccccc2o1)Cc1cccc(F)c1O ZINC001138128536 803863588 /nfs/dbraw/zinc/86/35/88/803863588.db2.gz PYYBBIDSPAQSAN-UHFFFAOYSA-N -1 2 286.306 3.305 20 10 CGCDLM Oc1cc(F)c(Cl)cc1C[NH+]1CC2(CC(F)C2)C1 ZINC000839139010 626322402 /nfs/dbraw/zinc/32/24/02/626322402.db2.gz AQYNQVJWRGXXBA-UHFFFAOYSA-N -1 2 273.710 3.119 20 10 CGCDLM C[C@@]1(F)CC[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1F ZINC001140462519 804441080 /nfs/dbraw/zinc/44/10/80/804441080.db2.gz IBMHYWRAPUNXTJ-CHWSQXEVSA-N -1 2 275.726 3.318 20 10 CGCDLM C[N@H+](Cc1cccc(Cl)c1O)[C@H](CO)c1ccccc1 ZINC000295062897 372690796 /nfs/dbraw/zinc/69/07/96/372690796.db2.gz OOIGFCSWVBYPFP-OAHLLOKOSA-N -1 2 291.778 3.211 20 10 CGCDLM Oc1ccc(F)cc1C[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000896423491 620006966 /nfs/dbraw/zinc/00/69/66/620006966.db2.gz SHLYDGFZJLCDHQ-XJKSGUPXSA-N -1 2 291.297 3.093 20 10 CGCDLM C[N@@H+](Cc1cccc(F)c1)Cc1ccc(F)c(F)c1O ZINC001233073855 818517308 /nfs/dbraw/zinc/51/73/08/818517308.db2.gz FRPKMJGYMCESCT-UHFFFAOYSA-N -1 2 281.277 3.442 20 10 CGCDLM C[N@@H+](Cc1ccc(Cl)nc1)Cc1c(O)cccc1F ZINC001137839035 803780424 /nfs/dbraw/zinc/78/04/24/803780424.db2.gz OUGKKSHMKDZSEV-UHFFFAOYSA-N -1 2 280.730 3.212 20 10 CGCDLM C[C@@]1(F)CCCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233332686 818585819 /nfs/dbraw/zinc/58/58/19/818585819.db2.gz UOCNCSIBKJGKSE-CQSZACIVSA-N -1 2 273.298 3.385 20 10 CGCDLM Oc1cc(Cl)c(F)cc1C[N@@H+]1CCc2occc2C1 ZINC001237949849 819890860 /nfs/dbraw/zinc/89/08/60/819890860.db2.gz NEHTZIGYYPDAIE-UHFFFAOYSA-N -1 2 281.714 3.336 20 10 CGCDLM COC1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000132137397 371154264 /nfs/dbraw/zinc/15/42/64/371154264.db2.gz BEQWBNPWMLXRCW-UHFFFAOYSA-N -1 2 290.190 3.310 20 10 CGCDLM CN(C)c1ccc(C[NH2+]Cc2c(F)ccc(O)c2F)cc1 ZINC000294169325 372602502 /nfs/dbraw/zinc/60/25/02/372602502.db2.gz JALCIRPCENMPSZ-UHFFFAOYSA-N -1 2 292.329 3.026 20 10 CGCDLM C[N@@H+](Cc1cccc(F)c1)Cc1c(O)ccc(F)c1F ZINC001233332151 818585685 /nfs/dbraw/zinc/58/56/85/818585685.db2.gz AIIZWCFQFFEVDL-UHFFFAOYSA-N -1 2 281.277 3.442 20 10 CGCDLM CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1cc(F)ccc1O ZINC000180206801 624728557 /nfs/dbraw/zinc/72/85/57/624728557.db2.gz MPYGTMXZJJYFHC-UHFFFAOYSA-N -1 2 297.370 3.083 20 10 CGCDLM Cc1nc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cs1 ZINC000062748076 623266082 /nfs/dbraw/zinc/26/60/82/623266082.db2.gz KNEWUXVBVBRILJ-QMMMGPOBSA-N -1 2 266.341 3.147 20 10 CGCDLM COc1ccc(C[N@H+](C)Cc2cccc(Cl)c2O)cn1 ZINC000757917624 626813941 /nfs/dbraw/zinc/81/39/41/626813941.db2.gz LPDNDHBOFXPHBT-UHFFFAOYSA-N -1 2 292.766 3.081 20 10 CGCDLM Oc1ccc(F)cc1C[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000862549701 629400741 /nfs/dbraw/zinc/40/07/41/629400741.db2.gz CVSQBRKAXINUKI-UHFFFAOYSA-N -1 2 291.297 3.065 20 10 CGCDLM CCOC(=O)C[N@@H+](Cc1ccc2ccccc2c1O)C1CC1 ZINC000816491331 631992654 /nfs/dbraw/zinc/99/26/54/631992654.db2.gz IMIASQRNYJZIFK-UHFFFAOYSA-N -1 2 299.370 3.073 20 10 CGCDLM Oc1cc(F)c(F)cc1C[N@H+]1CCc2ccsc2C1 ZINC001142524726 804731881 /nfs/dbraw/zinc/73/18/81/804731881.db2.gz IIBJRLPPUHOCDI-UHFFFAOYSA-N -1 2 281.327 3.290 20 10 CGCDLM Oc1cc(Cl)c(F)cc1C[N@@H+]1CCc2cccnc2C1 ZINC001237948641 819893213 /nfs/dbraw/zinc/89/32/13/819893213.db2.gz FTOASXYWFJPTOO-UHFFFAOYSA-N -1 2 292.741 3.138 20 10 CGCDLM Oc1c(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)ccc(F)c1F ZINC001233074830 818517979 /nfs/dbraw/zinc/51/79/79/818517979.db2.gz XRXXXUUNNLEADO-SNVBAGLBSA-N -1 2 295.251 3.240 20 10 CGCDLM Oc1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001237798702 819844162 /nfs/dbraw/zinc/84/41/62/819844162.db2.gz LSOZJIMALFYHKV-VIFPVBQESA-N -1 2 275.726 3.366 20 10 CGCDLM C[C@@H]1CSCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816512127 631998434 /nfs/dbraw/zinc/99/84/34/631998434.db2.gz XWMDFTBRFPVVOZ-MRVPVSSYSA-N -1 2 275.776 3.122 20 10 CGCDLM Oc1c(Cl)cccc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001231909613 818208838 /nfs/dbraw/zinc/20/88/38/818208838.db2.gz GMBAZRPBTMSROD-LLVKDONJSA-N -1 2 257.736 3.370 20 10 CGCDLM