smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1-n1c(=S)[nH]c2cnc3ccccc3c21 ZINC000000014852 169506657 /nfs/dbraw/zinc/50/66/57/169506657.db2.gz ZBBOEODUROWEBS-UHFFFAOYSA-N 0 0 291.379 4.545 10 0 CJAERN Nc1ccccc1Sc1nc2ccc(Cl)cc2s1 ZINC000000127489 169545434 /nfs/dbraw/zinc/54/54/34/169545434.db2.gz ODKNSTKRYLNNAD-UHFFFAOYSA-N 0 0 292.816 4.683 10 0 CJAERN Cc1c2cc(Cl)ccc2sc1-c1cc[nH]c(=S)n1 ZINC000000162040 169559139 /nfs/dbraw/zinc/55/91/39/169559139.db2.gz HOOLVFGZXWDBQZ-UHFFFAOYSA-N 0 0 292.816 4.983 10 0 CJAERN COCc1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC000000165346 169560566 /nfs/dbraw/zinc/56/05/66/169560566.db2.gz SLAVECXLTZKNGP-UHFFFAOYSA-N 0 0 272.291 4.580 10 0 CJAERN S=c1[nH]c(-c2ccccc2)cn1-c1ccc(Cl)cc1 ZINC000000193718 169570233 /nfs/dbraw/zinc/57/02/33/169570233.db2.gz WUUOUWCANBEXAC-UHFFFAOYSA-N 0 0 286.787 4.855 10 0 CJAERN Cc1ccc(/C=C2\CCC/C(=C/c3ccc(C)o3)C2=O)o1 ZINC000000214230 169577296 /nfs/dbraw/zinc/57/72/96/169577296.db2.gz BEMHNULRKMSCKA-YCRUPXPOSA-N 0 0 282.339 4.709 10 0 CJAERN Cc1ccc(-c2cc(-c3cc(Cl)ccc3O)on2)cc1 ZINC000000264194 169591344 /nfs/dbraw/zinc/59/13/44/169591344.db2.gz AMCJGMXNLYUFKZ-UHFFFAOYSA-N 0 0 285.730 4.676 10 0 CJAERN COc1ccc(Nc2cc(C)c3ccccc3n2)cc1Cl ZINC000000267820 567926275 /nfs/dbraw/zinc/92/62/75/567926275.db2.gz RPLMZGXPHOMMKL-UHFFFAOYSA-N 0 0 298.773 4.949 10 0 CJAERN CC(C)(C)Nc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000000320102 169608101 /nfs/dbraw/zinc/60/81/01/169608101.db2.gz TWNBHABRJGLRSK-UHFFFAOYSA-N 0 0 299.805 4.865 10 0 CJAERN CC(C)c1ccc2c(c1)C(=O)Cc1ccc(F)cc1S2 ZINC000000346322 169612790 /nfs/dbraw/zinc/61/27/90/169612790.db2.gz RLPFDZYDWHOARF-UHFFFAOYSA-N 0 0 286.371 4.839 10 0 CJAERN Cc1cc(C)c(NC(=O)/C(Cl)=C/c2ccccc2)c(C)c1 ZINC000000492132 169655497 /nfs/dbraw/zinc/65/54/97/169655497.db2.gz AKAXHZHNGXQLFA-WJDWOHSUSA-N 0 0 299.801 4.830 10 0 CJAERN Cc1ccc(/C=C/C(=O)Oc2ccc(Cl)c(C)c2)cc1 ZINC000000504949 169658055 /nfs/dbraw/zinc/65/80/55/169658055.db2.gz RAJCWYHNYRBAQS-JXMROGBWSA-N 0 0 286.758 4.576 10 0 CJAERN CC(C)CCn1c2ccccc2nc1Nc1ccccc1 ZINC000000513906 169659889 /nfs/dbraw/zinc/65/98/89/169659889.db2.gz YWIIMPNPLCGEDU-UHFFFAOYSA-N 0 0 279.387 4.826 10 0 CJAERN CC(C)CCn1c2ccccc2nc1NCc1ccccc1 ZINC000000513985 169659875 /nfs/dbraw/zinc/65/98/75/169659875.db2.gz OXTLSHFAOOJIAI-UHFFFAOYSA-N 0 0 293.414 4.695 10 0 CJAERN Clc1cccc(Cl)c1COc1ccccc1 ZINC000000515190 169659967 /nfs/dbraw/zinc/65/99/67/169659967.db2.gz DKYGAJKBPHAOFN-UHFFFAOYSA-N 0 0 253.128 4.572 10 0 CJAERN Fc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000000515204 169660051 /nfs/dbraw/zinc/66/00/51/169660051.db2.gz MDRZARUQZOPRNL-UHFFFAOYSA-N 0 0 271.118 4.712 10 0 CJAERN CCc1ccc(CNc2ccc(Br)cc2)cc1 ZINC000000517073 169660558 /nfs/dbraw/zinc/66/05/58/169660558.db2.gz POHUAZPUNSSGJA-UHFFFAOYSA-N 0 0 290.204 4.624 10 0 CJAERN CN(C)c1ccc(NCc2ccc(Cl)cc2Cl)cc1 ZINC000000570687 169670417 /nfs/dbraw/zinc/67/04/17/169670417.db2.gz JGDBLKGMCZIMTQ-UHFFFAOYSA-N 0 0 295.213 4.672 10 0 CJAERN CC1=Nc2ccccc2Oc2ccc(Br)cc21 ZINC000000572639 567834005 /nfs/dbraw/zinc/83/40/05/567834005.db2.gz FVOYJOSLVREBSE-UHFFFAOYSA-N 0 0 288.144 4.696 10 0 CJAERN CC(C)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001284143 169693991 /nfs/dbraw/zinc/69/39/91/169693991.db2.gz DSEJCSZJHQJMSS-UHFFFAOYSA-N 0 0 273.763 4.716 10 0 CJAERN CC[C@@H](C)Cn1c2ccccc2nc1-c1ccccc1 ZINC000001473062 169708689 /nfs/dbraw/zinc/70/86/89/169708689.db2.gz SNIXLPLPTRZCEA-CQSZACIVSA-N 0 0 264.372 4.749 10 0 CJAERN Cc1ccccc1OCc1nc2ccccc2n1CC(C)C ZINC000001473111 169708952 /nfs/dbraw/zinc/70/89/52/169708952.db2.gz JXPAXMUKKSHUCB-UHFFFAOYSA-N 0 0 294.398 4.580 10 0 CJAERN S=C1CC(c2ccccc2)=Nc2ccc(Cl)cc2N1 ZINC000001507454 169710225 /nfs/dbraw/zinc/71/02/25/169710225.db2.gz YDQHMLKPJWZHRT-UHFFFAOYSA-N 0 0 286.787 4.604 10 0 CJAERN Brc1cccc2cc(-c3ccccc3)[nH]c21 ZINC000001517071 169711223 /nfs/dbraw/zinc/71/12/23/169711223.db2.gz AOFJPJJSKNIJGQ-UHFFFAOYSA-N 0 0 272.145 4.597 10 0 CJAERN O=c1c(Cl)c(-c2ccccc2)oc2ccc(Cl)cc21 ZINC000001621298 560182983 /nfs/dbraw/zinc/18/29/83/560182983.db2.gz PTNKLWUWHUGKTA-UHFFFAOYSA-N 0 0 291.133 4.767 10 0 in-vitro CJAERN O=C1c2cccn2-c2ccccc2S[C@H]1c1ccccc1 ZINC000001645431 169732204 /nfs/dbraw/zinc/73/22/04/169732204.db2.gz NZZPYZUATMBWAV-SFHVURJKSA-N 0 0 291.375 4.507 10 0 in-vivo CJAERN Clc1ccc(Cc2nc3cc(Cl)ccc3o2)cc1 ZINC000001659639 567907401 /nfs/dbraw/zinc/90/74/01/567907401.db2.gz GPMLWTSJHYVADB-UHFFFAOYSA-N 0 0 278.138 4.725 10 0 CJAERN CCc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000001659649 567907335 /nfs/dbraw/zinc/90/73/35/567907335.db2.gz RWKPNWLNLRHUDF-UHFFFAOYSA-N 0 0 257.720 4.711 10 0 CJAERN CCc1cc(CC)c(C(=O)Cc2ccccc2)c(CC)c1 ZINC000001694429 169743985 /nfs/dbraw/zinc/74/39/85/169743985.db2.gz LJJCMUXJOJAFLA-UHFFFAOYSA-N 0 0 280.411 4.799 10 0 CJAERN Cc1cc(O)c([C@]2(C)CC[C@@H]3C[C@@]32C)cc1Br ZINC000001767281 290879393 /nfs/dbraw/zinc/87/93/93/290879393.db2.gz UGGAHNIITODSKB-ONERCXAPSA-N 0 0 295.220 4.541 10 0 biogenic,in-vitro CJAERN CCC(CC)=C(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000001768591 560184870 /nfs/dbraw/zinc/18/48/70/560184870.db2.gz AWIVCGHUJHEQNV-UHFFFAOYSA-N 0 0 268.356 4.720 10 0 in-vitro CJAERN CC(=O)c1cc2c(cc1C)C(C)(C)[C@@H](C)[C@@H]2C(C)C ZINC000001843520 169759684 /nfs/dbraw/zinc/75/96/84/169759684.db2.gz IMRYETFJNLKUHK-SJCJKPOMSA-N 0 0 258.405 4.865 10 0 in-vitro CJAERN Nc1ccc(-c2ccc(N)c3ccccc32)c2ccccc12 ZINC000001846643 567843571 /nfs/dbraw/zinc/84/35/71/567843571.db2.gz RZPBZEISZUFQSV-UHFFFAOYSA-N 0 0 284.362 4.824 10 0 CJAERN Cc1cccc(NCc2ccc(Cl)cc2Cl)c1 ZINC000001873035 328500792 /nfs/dbraw/zinc/50/07/92/328500792.db2.gz AQFWBZNEOJGRSP-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN CC(C)CSc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000001935579 169764215 /nfs/dbraw/zinc/76/42/15/169764215.db2.gz PFPFFWRJLJGBEG-JTQLQIEISA-N 0 0 292.473 4.564 10 0 CJAERN CC(C)CSc1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000001935580 169763936 /nfs/dbraw/zinc/76/39/36/169763936.db2.gz PFPFFWRJLJGBEG-SNVBAGLBSA-N 0 0 292.473 4.564 10 0 CJAERN CCCCCSc1ncnc2sc3c(c21)CCCC3 ZINC000001935628 169764202 /nfs/dbraw/zinc/76/42/02/169764202.db2.gz HWRGMRFSLOYAOM-UHFFFAOYSA-N 0 0 292.473 4.852 10 0 CJAERN c1nc2sc3c(c2c(SC2CCCC2)n1)CCCC3 ZINC000001935631 169763941 /nfs/dbraw/zinc/76/39/41/169763941.db2.gz VTWUOWGCTYONRG-UHFFFAOYSA-N 0 0 290.457 4.605 10 0 CJAERN CCCCCSc1ncnc2sc(C)c(C)c21 ZINC000001935648 169764468 /nfs/dbraw/zinc/76/44/68/169764468.db2.gz HSRGVXIRLLYGIN-UHFFFAOYSA-N 0 0 266.435 4.590 10 0 CJAERN Cc1sc2ncnc(SC3CCCCC3)c2c1C ZINC000001935650 169764400 /nfs/dbraw/zinc/76/44/00/169764400.db2.gz UYIDRHFBNHRAMX-UHFFFAOYSA-N 0 0 278.446 4.733 10 0 CJAERN C[C@@H](Cc1ccccc1)Nc1ccc2ccccc2c1 ZINC000001998961 169765912 /nfs/dbraw/zinc/76/59/12/169765912.db2.gz DMKFDDCIQWHTTG-HNNXBMFYSA-N 0 0 261.368 4.883 10 0 CJAERN CC[C@@H](c1ccc(O)c(F)c1)[C@@H](C)c1ccc(O)c(F)c1 ZINC000001999258 169765925 /nfs/dbraw/zinc/76/59/25/169765925.db2.gz RDVXUHOSYIBGBT-GXFFZTMASA-N 0 0 292.325 4.673 10 0 in-man CJAERN CC[C@H](c1ccc(O)c(F)c1)[C@H](C)c1ccc(O)c(F)c1 ZINC000001999260 169765776 /nfs/dbraw/zinc/76/57/76/169765776.db2.gz RDVXUHOSYIBGBT-MFKMUULPSA-N 0 0 292.325 4.673 10 0 in-man CJAERN Clc1cc2c(cc1Cl)Oc1ccccc1O2 ZINC000002011528 169767178 /nfs/dbraw/zinc/76/71/78/169767178.db2.gz YCIYTXRUZSDMRZ-UHFFFAOYSA-N 0 0 253.084 4.891 10 0 in-vitro CJAERN c1ccc([C@@H]2NN=C(c3cccc4ccccc43)S2)cc1 ZINC000002272136 169784095 /nfs/dbraw/zinc/78/40/95/169784095.db2.gz QAGLTPWIMNVEFL-QGZVFWFLSA-N 0 0 290.391 4.537 10 0 CJAERN CC(=O)c1cc2c(cc1C)C(C)(C)[C@H](C)[C@@H]2C(C)C ZINC000002534716 567847647 /nfs/dbraw/zinc/84/76/47/567847647.db2.gz IMRYETFJNLKUHK-PXAZEXFGSA-N 0 0 258.405 4.865 10 0 in-vitro CJAERN CC(C)=CCC/C(C)=C/COC(=O)C(C)=C(C)C ZINC000002563373 169809455 /nfs/dbraw/zinc/80/94/55/169809455.db2.gz GLMOJOJHHPDUHX-GXDHUFHOSA-N 0 0 250.382 4.579 10 0 CJAERN Cc1ccc(C(=O)c2cccc3ccccc32)c2c1CCC2 ZINC000002576425 567848405 /nfs/dbraw/zinc/84/84/05/567848405.db2.gz GZCQYBBVUZYWNO-UHFFFAOYSA-N 0 0 286.374 4.868 10 0 in-vitro CJAERN CCOP(=O)(Cc1coc2ccc(C)cc12)OCC ZINC000002576833 169812459 /nfs/dbraw/zinc/81/24/59/169812459.db2.gz NKVYYLYMEFXHED-UHFFFAOYSA-N 0 0 282.276 4.507 10 0 CJAERN Cc1sc(C=O)cc1CSc1ccc(Cl)cc1 ZINC000002727606 567848966 /nfs/dbraw/zinc/84/89/66/567848966.db2.gz MQCBIAMBDBCRSP-UHFFFAOYSA-N 0 0 282.817 4.815 10 0 CJAERN CCCCOc1ccc(C(=O)C2CCCCC2)cc1 ZINC000003015353 169849679 /nfs/dbraw/zinc/84/96/79/169849679.db2.gz CKGWSQYGNPGYBW-UHFFFAOYSA-N 0 0 260.377 4.629 10 0 CJAERN Cc1cccc(C(=O)Oc2ccccc2-c2ccccc2)c1 ZINC000003027089 169850192 /nfs/dbraw/zinc/85/01/92/169850192.db2.gz MARTVWSELRAVPH-UHFFFAOYSA-N 0 0 288.346 4.881 10 0 CJAERN CCCCOc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000003048079 570278699 /nfs/dbraw/zinc/27/86/99/570278699.db2.gz UERLVFFMDLTSLS-UHFFFAOYSA-N 0 0 288.774 4.750 10 0 CJAERN CCCCOc1ccc(C[NH+]2CCCCC2)cc1Cl ZINC000003097377 567851146 /nfs/dbraw/zinc/85/11/46/567851146.db2.gz VPGXBBPXALWGPE-UHFFFAOYSA-N 0 0 281.827 4.505 10 0 CJAERN CCCCP(=O)(CCCC)c1ccccc1C ZINC000003099512 567851351 /nfs/dbraw/zinc/85/13/51/567851351.db2.gz FJVYAAIQEAYQKI-UHFFFAOYSA-N 0 0 252.338 4.584 10 0 CJAERN O=C(/C=C/c1ccccc1Cl)Oc1ccc(Cl)cc1 ZINC000003104056 169856534 /nfs/dbraw/zinc/85/65/34/169856534.db2.gz VLFLZTRVFADXHK-BJMVGYQFSA-N 0 0 293.149 4.612 10 0 CJAERN Clc1cccc(Nc2nnc(Cl)c3ccccc32)c1 ZINC000003192142 169866822 /nfs/dbraw/zinc/86/68/22/169866822.db2.gz ULXILURYHTWWJH-UHFFFAOYSA-N 0 0 290.153 4.680 10 0 CJAERN C[C@H]1CCCC(c2ccc(O)cc2)(c2ccc(O)cc2)C1 ZINC000003246628 169871708 /nfs/dbraw/zinc/87/17/08/169871708.db2.gz GYLZMVYMSPSPDA-AWEZNQCLSA-N 0 0 282.383 4.594 10 0 CJAERN O=C(Nc1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000003455715 169889393 /nfs/dbraw/zinc/88/93/93/169889393.db2.gz LIEWBXPXQAIKJJ-UHFFFAOYSA-N 0 0 279.364 4.667 10 0 CJAERN O=c1cc(/C=C/c2ccc(Cl)cc2)oc2ccccc12 ZINC000003585874 169899284 /nfs/dbraw/zinc/89/92/84/169899284.db2.gz AJMJHCQXIRINSY-JXMROGBWSA-N 0 0 282.726 4.617 10 0 CJAERN CCC[C@]1(c2cccc(OC)c2)CCN(c2ccccc2)C1 ZINC000003609324 169901881 /nfs/dbraw/zinc/90/18/81/169901881.db2.gz QRZFKPVYMFKYHL-FQEVSTJZSA-N 0 0 295.426 4.643 10 0 CJAERN Clc1ccc([C@H]2C=Cc3cc(Cl)cnc3O2)cc1 ZINC000003611602 169902390 /nfs/dbraw/zinc/90/23/90/169902390.db2.gz OQPYITHHFVRREP-CYBMUJFWSA-N 0 0 278.138 4.535 10 0 CJAERN CCCCCCc1c(O)cc(CCCCC)cc1O ZINC000003643166 169905189 /nfs/dbraw/zinc/90/51/89/169905189.db2.gz GAZJVWPMPITOLB-UHFFFAOYSA-N 0 0 264.409 4.953 10 0 CJAERN O=Cc1c2ccccc2[nH]c1-c1ccc(Cl)c(Cl)c1 ZINC000003675790 169907013 /nfs/dbraw/zinc/90/70/13/169907013.db2.gz CAAAWDSHSLUXBZ-UHFFFAOYSA-N 0 0 290.149 4.954 10 0 CJAERN O=Cc1c2ccccc2[nH]c1-c1ccc(C(F)(F)F)cc1 ZINC000003675793 169906964 /nfs/dbraw/zinc/90/69/64/169906964.db2.gz SDSPUEXPKDSAAH-UHFFFAOYSA-N 0 0 289.256 4.666 10 0 CJAERN CCc1ccc([C@H]2Cc3cc(Cl)ccc3N2)cc1 ZINC000003700322 169907834 /nfs/dbraw/zinc/90/78/34/169907834.db2.gz VXILTUPCFHXMTA-MRXNPFEDSA-N 0 0 257.764 4.612 10 0 CJAERN Clc1ccc([C@@H]2Cc3ccccc3N2)cc1Cl ZINC000003714999 169909172 /nfs/dbraw/zinc/90/91/72/169909172.db2.gz YRDYHNNTVFMQDG-AWEZNQCLSA-N 0 0 264.155 4.703 10 0 CJAERN Clc1ccc([C@H]2Cc3ccccc3N2)cc1Cl ZINC000003715000 169908930 /nfs/dbraw/zinc/90/89/30/169908930.db2.gz YRDYHNNTVFMQDG-CQSZACIVSA-N 0 0 264.155 4.703 10 0 CJAERN C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@@]43C)[C@@H]1C[C@@H](F)C2=O ZINC000003778181 567853601 /nfs/dbraw/zinc/85/36/01/567853601.db2.gz VHZXNQKVFDBFIK-NBBHSKLNSA-N 0 0 290.422 4.856 10 0 in-vitro CJAERN Clc1cccc(Nc2ncnc3[nH]c4ccccc4c32)c1 ZINC000003815156 169914135 /nfs/dbraw/zinc/91/41/35/169914135.db2.gz XOWGESNQLHDSON-UHFFFAOYSA-N 0 0 294.745 4.508 10 0 CJAERN COc1ccc(C(=C(Cl)Cl)c2ccc(O)cc2)cc1 ZINC000003815429 169914018 /nfs/dbraw/zinc/91/40/18/169914018.db2.gz GZADQGXCIZUJOR-UHFFFAOYSA-N 0 0 295.165 4.595 10 0 in-vitro CJAERN CCC[C@@H]1O[C@@H](c2ccccc2Cl)OC[C@@H]1CC ZINC000004410869 169965826 /nfs/dbraw/zinc/96/58/26/169965826.db2.gz QBKDHQVXDAMYNM-CQDKDKBSSA-N 0 0 268.784 4.580 10 0 CJAERN CCC1=C(c2ccccc2)[C@H](C)c2cc(O)ccc21 ZINC000004655162 560199552 /nfs/dbraw/zinc/19/95/52/560199552.db2.gz JVJKQJFQEQRNRY-GFCCVEGCSA-N 0 0 250.341 4.830 10 0 in-vitro CJAERN CCC1=C(c2ccccc2)[C@@H](C)c2cc(O)ccc21 ZINC000004655163 560199504 /nfs/dbraw/zinc/19/95/04/560199504.db2.gz JVJKQJFQEQRNRY-LBPRGKRZSA-N 0 0 250.341 4.830 10 0 in-vitro CJAERN CCC1=C(c2ccc(O)cc2)[C@H](C)c2ccccc21 ZINC000004655164 560199509 /nfs/dbraw/zinc/19/95/09/560199509.db2.gz CFWDRXXJJXLZOZ-GFCCVEGCSA-N 0 0 250.341 4.830 10 0 in-vitro CJAERN CCC1=C(c2ccc(O)cc2)[C@@H](C)c2ccccc21 ZINC000004655165 169993999 /nfs/dbraw/zinc/99/39/99/169993999.db2.gz CFWDRXXJJXLZOZ-LBPRGKRZSA-N 0 0 250.341 4.830 10 0 in-vitro CJAERN CCC1=C(c2ccc(O)cc2)[C@H](C)c2cc(O)ccc21 ZINC000004655166 560199489 /nfs/dbraw/zinc/19/94/89/560199489.db2.gz BBOUFHMHCBZYJJ-LLVKDONJSA-N 0 0 266.340 4.536 10 0 in-vitro CJAERN CCC1=C(c2ccc(O)cc2)[C@@H](C)c2cc(O)ccc21 ZINC000004655167 169993805 /nfs/dbraw/zinc/99/38/05/169993805.db2.gz BBOUFHMHCBZYJJ-NSHDSACASA-N 0 0 266.340 4.536 10 0 in-vitro CJAERN CC[C@@H]1c2ccc(O)cc2C(C)=C1c1ccc(O)cc1 ZINC000004655168 169993721 /nfs/dbraw/zinc/99/37/21/169993721.db2.gz HJVFIQKBLPQQDY-OAHLLOKOSA-N 0 0 266.340 4.536 10 0 in-vitro CJAERN CC[C@H]1c2ccc(O)cc2C(C)=C1c1ccc(O)cc1 ZINC000004655169 169994045 /nfs/dbraw/zinc/99/40/45/169994045.db2.gz HJVFIQKBLPQQDY-HNNXBMFYSA-N 0 0 266.340 4.536 10 0 in-vitro CJAERN C[C@H](CCOC(=O)c1ccccc1)CCc1ccccc1 ZINC000004714393 170004076 /nfs/dbraw/zinc/00/40/76/170004076.db2.gz KRTBQFDMLGCXBO-INIZCTEOSA-N 0 0 282.383 4.502 10 0 CJAERN C[C@@H](CCOC(=O)c1ccccc1)CCc1ccccc1 ZINC000004714394 170004110 /nfs/dbraw/zinc/00/41/10/170004110.db2.gz KRTBQFDMLGCXBO-MRXNPFEDSA-N 0 0 282.383 4.502 10 0 CJAERN CC(C)=CCC[C@H](C)CCOC(=O)c1ccccc1 ZINC000004714395 170004388 /nfs/dbraw/zinc/00/43/88/170004388.db2.gz UDPCCAUIDDVTEL-HNNXBMFYSA-N 0 0 260.377 4.616 10 0 CJAERN CC(C)=CCC[C@@H](C)CCOC(=O)c1ccccc1 ZINC000004714396 170004115 /nfs/dbraw/zinc/00/41/15/170004115.db2.gz UDPCCAUIDDVTEL-OAHLLOKOSA-N 0 0 260.377 4.616 10 0 CJAERN Cc1cc(-c2ccccc2)nc2c1Cc1ccccc1-2 ZINC000004733387 170007703 /nfs/dbraw/zinc/00/77/03/170007703.db2.gz NXTZSYOIJGLONH-UHFFFAOYSA-N 0 0 257.336 4.628 10 0 CJAERN CCc1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000004769885 170013800 /nfs/dbraw/zinc/01/38/00/170013800.db2.gz VRFXEQWKMQODDW-UHFFFAOYSA-N 0 0 255.748 4.822 10 0 CJAERN CC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C)ccc4[C@H]3CC[C@@]21C ZINC000004887559 560200174 /nfs/dbraw/zinc/20/01/74/560200174.db2.gz VOJSXGZKQUZFCX-MJCUULBUSA-N 0 0 298.470 4.992 10 0 in-vitro CJAERN Cc1cc(Nc2cccc(Cl)c2C)[nH]c2cc(=O)ccc1-2 ZINC000004961155 170045721 /nfs/dbraw/zinc/04/57/21/170045721.db2.gz USWMTEKALDGDIX-UHFFFAOYSA-N 0 0 298.773 4.954 10 0 CJAERN C(=C(c1ccccc1)c1ccccc1)c1ccccn1 ZINC000005011542 170055166 /nfs/dbraw/zinc/05/51/66/170055166.db2.gz FRBDSEQKBAUABN-UHFFFAOYSA-N 0 0 257.336 4.671 10 0 CJAERN O=C1O[C@@H](c2cccc3c(Cl)cccc32)c2ccccc21 ZINC000005064725 170062861 /nfs/dbraw/zinc/06/28/61/170062861.db2.gz GCCOGMHCRYBTSO-KRWDZBQOSA-N 0 0 294.737 4.753 10 0 CJAERN CSc1cccc2sc(Nc3ccccc3)nc21 ZINC000005087612 170065307 /nfs/dbraw/zinc/06/53/07/170065307.db2.gz VPLZCCMBEWVEIT-UHFFFAOYSA-N 0 0 272.398 4.762 10 0 CJAERN CSc1ccc2nc(Nc3ccccc3)sc2c1 ZINC000005087613 170065336 /nfs/dbraw/zinc/06/53/36/170065336.db2.gz XMULVLHRGBFGTP-UHFFFAOYSA-N 0 0 272.398 4.762 10 0 CJAERN Cc1cc(C)cc(NC(=O)c2cccc(OCC(C)C)c2)c1 ZINC000005089615 170065379 /nfs/dbraw/zinc/06/53/79/170065379.db2.gz UUXNZPCVUCKTMI-UHFFFAOYSA-N 0 0 297.398 4.591 10 0 CJAERN CC(C)Cn1cncc1-c1ccc(Oc2ccccc2)cc1 ZINC000005114442 170067338 /nfs/dbraw/zinc/06/73/38/170067338.db2.gz BNIHWBYFJFBPSO-UHFFFAOYSA-N 0 0 292.382 4.998 10 0 CJAERN CSc1ccc2nc(Nc3ccccc3F)sc2c1 ZINC000005122875 170068329 /nfs/dbraw/zinc/06/83/29/170068329.db2.gz JBISOXLNEDKATM-UHFFFAOYSA-N 0 0 290.388 4.901 10 0 CJAERN CSc1cccc2sc(Nc3ccc(F)cc3)nc21 ZINC000005122882 170068182 /nfs/dbraw/zinc/06/81/82/170068182.db2.gz AKQWNHYGWRTKRI-UHFFFAOYSA-N 0 0 290.388 4.901 10 0 CJAERN C/C=C/c1ccc(O)c(-c2cc(/C=C/C)ccc2O)c1 ZINC000005132933 170069486 /nfs/dbraw/zinc/06/94/86/170069486.db2.gz VLRNWUFGTCSJDO-GGWOSOGESA-N 0 0 266.340 4.831 10 0 biogenic,in-vitro CJAERN C/C=C/c1ccc2oc(-c3ccc(OC)cc3O)cc2c1 ZINC000005132937 170069501 /nfs/dbraw/zinc/06/95/01/170069501.db2.gz VSRAHYZSNLDBKG-ONEGZZNKSA-N 0 0 280.323 4.847 10 0 in-vitro CJAERN C/C=C/c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000005132943 170069624 /nfs/dbraw/zinc/06/96/24/170069624.db2.gz FDZILCXQMSTFED-FPYGCLRLSA-N 0 0 276.335 4.802 10 0 CJAERN CC(C)(C)Cc1ccc(OCCCOc2ccccn2)cc1 ZINC000005138125 170069989 /nfs/dbraw/zinc/06/99/89/170069989.db2.gz DSLMPTPGUNFUFR-UHFFFAOYSA-N 0 0 299.414 4.518 10 0 CJAERN CCCC/C(=C/c1ccc2cccnc2c1O)CC ZINC000005138821 170069987 /nfs/dbraw/zinc/06/99/87/170069987.db2.gz KVXNGMXXHWBFRX-OUKQBFOZSA-N 0 0 255.361 4.924 10 0 CJAERN CCN(CC)c1ccc2c(c1)-c1cc(C)cc(C)c1C2 ZINC000005139480 170070512 /nfs/dbraw/zinc/07/05/12/170070512.db2.gz RIZOSLSFFFSXDV-UHFFFAOYSA-N 0 0 265.400 4.721 10 0 CJAERN CCN(Cc1ccccc1Cl)c1cccc(C)c1 ZINC000005139642 170070329 /nfs/dbraw/zinc/07/03/29/170070329.db2.gz QJVZEZUKVBECII-UHFFFAOYSA-N 0 0 259.780 4.675 10 0 CJAERN C[C@@H](COc1ccc(CC(C)(C)C)cc1)Oc1ccccn1 ZINC000005141545 170070529 /nfs/dbraw/zinc/07/05/29/170070529.db2.gz XENQLTJYZRXXKC-HNNXBMFYSA-N 0 0 299.414 4.517 10 0 CJAERN C[C@H](COc1ccc(CC(C)(C)C)cc1)Oc1ccccn1 ZINC000005141736 170070509 /nfs/dbraw/zinc/07/05/09/170070509.db2.gz XENQLTJYZRXXKC-OAHLLOKOSA-N 0 0 299.414 4.517 10 0 CJAERN CC(C)(C)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 ZINC000005156838 170071633 /nfs/dbraw/zinc/07/16/33/170071633.db2.gz YRQJGIKJDXOHEU-UHFFFAOYSA-N 0 0 298.358 4.622 10 0 CJAERN Cc1ccccc1Oc1ccnc2c(Cl)cccc12 ZINC000005161347 170072204 /nfs/dbraw/zinc/07/22/04/170072204.db2.gz FQYLEAYGSXHJHB-UHFFFAOYSA-N 0 0 269.731 4.989 10 0 CJAERN Fc1ccc(Cc2ccnc3cc(Cl)ccc23)cc1 ZINC000005161873 170072586 /nfs/dbraw/zinc/07/25/86/170072586.db2.gz OLMPTZKWISQDLB-UHFFFAOYSA-N 0 0 271.722 4.618 10 0 CJAERN C[C@@]12C=Cc3occc3[C@@H]1CC[C@]13CC(=O)[C@H](C1)CC[C@@H]32 ZINC000005260700 170081001 /nfs/dbraw/zinc/08/10/01/170081001.db2.gz ZUHATORLUREVSD-UDEWZTFKSA-N 0 0 282.383 4.566 10 0 CJAERN C[C@]12C=Cc3occc3[C@@H]1CC[C@]13CC(=O)[C@H](C1)CC[C@@H]32 ZINC000005260702 170080973 /nfs/dbraw/zinc/08/09/73/170080973.db2.gz ZUHATORLUREVSD-UKPUIBMWSA-N 0 0 282.383 4.566 10 0 CJAERN C[C@@]12C=Cc3occc3[C@H]1CC[C@]13CC(=O)[C@H](C1)CC[C@@H]32 ZINC000005260703 170080783 /nfs/dbraw/zinc/08/07/83/170080783.db2.gz ZUHATORLUREVSD-ZOOFZWQKSA-N 0 0 282.383 4.566 10 0 CJAERN C[C@]12C=Cc3occc3[C@H]1CC[C@]13CC(=O)[C@H](C1)CC[C@@H]32 ZINC000005260705 170080692 /nfs/dbraw/zinc/08/06/92/170080692.db2.gz ZUHATORLUREVSD-SAEIASLMSA-N 0 0 282.383 4.566 10 0 CJAERN CC(C)c1ccc(/C=C/C(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000005275352 170082035 /nfs/dbraw/zinc/08/20/35/170082035.db2.gz OIMNCKFUOMKSIM-ROCUKZSVSA-N 0 0 285.431 4.613 10 0 CJAERN CC(C)c1ccc(/C=C/C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000005276176 170082073 /nfs/dbraw/zinc/08/20/73/170082073.db2.gz OIMNCKFUOMKSIM-TZCWYCDXSA-N 0 0 285.431 4.613 10 0 CJAERN CC(C)N(C(=O)c1ccccc1)c1cccc2ccccc21 ZINC000005284700 170082945 /nfs/dbraw/zinc/08/29/45/170082945.db2.gz GGSLXGURGBETLC-UHFFFAOYSA-N 0 0 289.378 4.895 10 0 CJAERN CC(C)c1ccc(Cn2nnc3ccccc32)c(C(C)C)c1 ZINC000005285181 170082803 /nfs/dbraw/zinc/08/28/03/170082803.db2.gz QKLPFQMMXNQNIE-UHFFFAOYSA-N 0 0 293.414 4.726 10 0 CJAERN CC(C)c1ccc(/C=C/C(=O)NC2CCCCCC2)cc1 ZINC000005285184 170082924 /nfs/dbraw/zinc/08/29/24/170082924.db2.gz ULPSEDGTWIJSCM-SDNWHVSQSA-N 0 0 285.431 4.662 10 0 CJAERN CCn1c2cc(C)c(C)cc2n2cc(-c3ccccc3)nc21 ZINC000005285512 170082696 /nfs/dbraw/zinc/08/26/96/170082696.db2.gz AXXIUDIJECVSIT-UHFFFAOYSA-N 0 0 289.382 4.593 10 0 CJAERN CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@@]21C ZINC000005294957 170084106 /nfs/dbraw/zinc/08/41/06/170084106.db2.gz SOJWLJKPIIODOH-CEXWTWQISA-N 0 0 272.432 4.565 10 0 CJAERN CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(O)CCC[C@]21C ZINC000005294961 170084078 /nfs/dbraw/zinc/08/40/78/170084078.db2.gz SOJWLJKPIIODOH-IPMKNSEASA-N 0 0 272.432 4.565 10 0 CJAERN CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(O)CCC[C@@]21C ZINC000005294964 170084079 /nfs/dbraw/zinc/08/40/79/170084079.db2.gz SOJWLJKPIIODOH-GBESFXJTSA-N 0 0 272.432 4.565 10 0 CJAERN CCCC1CN(C)c2ccccc2C1=Nc1ccccc1 ZINC000005308108 534918028 /nfs/dbraw/zinc/91/80/28/534918028.db2.gz YEQYQHSPSHCZKG-UHFFFAOYSA-N 0 0 278.399 4.760 10 0 CJAERN CCCCCC(=O)O[C@@H](CCC)Cc1ccccc1 ZINC000005308435 170084819 /nfs/dbraw/zinc/08/48/19/170084819.db2.gz DNCRGEVGXAGMEB-INIZCTEOSA-N 0 0 262.393 4.521 10 0 CJAERN CCCCCC(=O)O[C@H](CCC)Cc1ccccc1 ZINC000005308439 170084860 /nfs/dbraw/zinc/08/48/60/170084860.db2.gz DNCRGEVGXAGMEB-MRXNPFEDSA-N 0 0 262.393 4.521 10 0 CJAERN CCCC[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000005309747 170084859 /nfs/dbraw/zinc/08/48/59/170084859.db2.gz IFTUXNDEFNYPFG-KRWDZBQOSA-N 0 0 252.357 4.843 10 0 CJAERN CCCC[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1 ZINC000005309758 170084974 /nfs/dbraw/zinc/08/49/74/170084974.db2.gz RBDGNAHAIBNECH-SFHVURJKSA-N 0 0 281.399 4.656 10 0 CJAERN CCCC[C@]1(n2nnc3ccccc32)C[C@@H]1c1ccccc1 ZINC000005309901 170084921 /nfs/dbraw/zinc/08/49/21/170084921.db2.gz XHCANJPLLHEZBC-APWZRJJASA-N 0 0 291.398 4.504 10 0 CJAERN CCCC[C@]1(n2nnc3ccccc32)C[C@H]1c1ccccc1 ZINC000005309902 170084931 /nfs/dbraw/zinc/08/49/31/170084931.db2.gz XHCANJPLLHEZBC-LPHOPBHVSA-N 0 0 291.398 4.504 10 0 CJAERN CCCC[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000005310079 170084922 /nfs/dbraw/zinc/08/49/22/170084922.db2.gz IFTUXNDEFNYPFG-QGZVFWFLSA-N 0 0 252.357 4.843 10 0 CJAERN CCCC[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1 ZINC000005310092 170084748 /nfs/dbraw/zinc/08/47/48/170084748.db2.gz RBDGNAHAIBNECH-GOSISDBHSA-N 0 0 281.399 4.656 10 0 CJAERN CCCC[C@@]1(n2nnc3ccccc32)C[C@@H]1c1ccccc1 ZINC000005310232 170084821 /nfs/dbraw/zinc/08/48/21/170084821.db2.gz XHCANJPLLHEZBC-VQIMIIECSA-N 0 0 291.398 4.504 10 0 CJAERN CCCC[C@@]1(n2nnc3ccccc32)C[C@H]1c1ccccc1 ZINC000005310235 170084947 /nfs/dbraw/zinc/08/49/47/170084947.db2.gz XHCANJPLLHEZBC-QFBILLFUSA-N 0 0 291.398 4.504 10 0 CJAERN CCN(CC)c1ccc(Cc2cn(C)c3ccccc23)cc1 ZINC000005311804 170085173 /nfs/dbraw/zinc/08/51/73/170085173.db2.gz RZOHDJPRTNHXEI-UHFFFAOYSA-N 0 0 292.426 4.615 10 0 CJAERN CCOc1nc2ccccc2c(-c2ccccc2)c1C ZINC000005327574 170085907 /nfs/dbraw/zinc/08/59/07/170085907.db2.gz WPBHKJXOTZFRJJ-UHFFFAOYSA-N 0 0 263.340 4.609 10 0 CJAERN CCc1cccc(C)c1NC(=S)Nc1cc(C)ccc1C ZINC000005327940 170086015 /nfs/dbraw/zinc/08/60/15/170086015.db2.gz JZIFEWVZRHZALI-UHFFFAOYSA-N 0 0 298.455 4.983 10 0 CJAERN CCc1cnc(-c2ccccc2)cc1-c1ccccc1 ZINC000005327958 170085877 /nfs/dbraw/zinc/08/58/77/170085877.db2.gz CRIONKWGOYSOIB-UHFFFAOYSA-N 0 0 259.352 4.978 10 0 CJAERN C[C@@H]1C[C@@](C)(c2ccccc2)c2c1c1ccccc1n2C ZINC000005330354 170086230 /nfs/dbraw/zinc/08/62/30/170086230.db2.gz SJIJYTGGHUEGTJ-VLIAUNLRSA-N 0 0 275.395 4.992 10 0 CJAERN C[C@@H]1C[C@](C)(c2ccccc2)c2c1c1ccccc1n2C ZINC000005330360 170086299 /nfs/dbraw/zinc/08/62/99/170086299.db2.gz SJIJYTGGHUEGTJ-JLTOFOAXSA-N 0 0 275.395 4.992 10 0 CJAERN C[C@H]1C[C@@](C)(c2ccccc2)c2c1c1ccccc1n2C ZINC000005330436 170086181 /nfs/dbraw/zinc/08/61/81/170086181.db2.gz SJIJYTGGHUEGTJ-XOBRGWDASA-N 0 0 275.395 4.992 10 0 CJAERN C[C@H]1C[C@](C)(c2ccccc2)c2c1c1ccccc1n2C ZINC000005330442 170086232 /nfs/dbraw/zinc/08/62/32/170086232.db2.gz SJIJYTGGHUEGTJ-VBKZILBWSA-N 0 0 275.395 4.992 10 0 CJAERN Cc1cc(-c2ccccc2)c2c(n1)-c1ccccc1CC2 ZINC000005330564 170086360 /nfs/dbraw/zinc/08/63/60/170086360.db2.gz XNPQWOHRZYIHJU-UHFFFAOYSA-N 0 0 271.363 4.823 10 0 CJAERN Cc1cc([C@@H](C)c2cc3ccccc3n2C)oc1C ZINC000005330643 170086264 /nfs/dbraw/zinc/08/62/64/170086264.db2.gz FQULKSOXBBYHBG-LBPRGKRZSA-N 0 0 253.345 4.540 10 0 CJAERN Cc1cc([C@H](C)c2cc3ccccc3n2C)oc1C ZINC000005330644 170086380 /nfs/dbraw/zinc/08/63/80/170086380.db2.gz FQULKSOXBBYHBG-GFCCVEGCSA-N 0 0 253.345 4.540 10 0 CJAERN Cc1ccc([C@@H]2CCc3c4ccccc4n(C)c32)cc1 ZINC000005330874 170086428 /nfs/dbraw/zinc/08/64/28/170086428.db2.gz XBKFQUNJYXKLEB-HNNXBMFYSA-N 0 0 261.368 4.565 10 0 CJAERN Cc1ccc([C@H]2CCc3c4ccccc4n(C)c32)cc1 ZINC000005330907 170086227 /nfs/dbraw/zinc/08/62/27/170086227.db2.gz XBKFQUNJYXKLEB-OAHLLOKOSA-N 0 0 261.368 4.565 10 0 CJAERN Cc1ccc([C@@H](c2cn(C)c3ccccc23)C(C)C)o1 ZINC000005330974 170086316 /nfs/dbraw/zinc/08/63/16/170086316.db2.gz KZTWWILVJUJZQN-GOSISDBHSA-N 0 0 267.372 4.868 10 0 CJAERN Cc1ccc([C@H](c2cn(C)c3ccccc23)C(C)C)o1 ZINC000005330975 170086198 /nfs/dbraw/zinc/08/61/98/170086198.db2.gz KZTWWILVJUJZQN-SFHVURJKSA-N 0 0 267.372 4.868 10 0 CJAERN Cn1c2ccccc2c2cc(O)cc(-c3ccccc3)c21 ZINC000005331204 170086445 /nfs/dbraw/zinc/08/64/45/170086445.db2.gz ZBUKNXSEXWORDD-UHFFFAOYSA-N 0 0 273.335 4.704 10 0 CJAERN C(=C(c1ccccc1)c1ccccc1)c1ccncc1 ZINC000005331574 170086129 /nfs/dbraw/zinc/08/61/29/170086129.db2.gz QSVVYMBWQOGDNI-UHFFFAOYSA-N 0 0 257.336 4.671 10 0 in-vivo CJAERN O=C(Cn1c2ccccc2c2ccccc21)c1ccccc1 ZINC000005331578 170086256 /nfs/dbraw/zinc/08/62/56/170086256.db2.gz DSYARNRTTDJLET-UHFFFAOYSA-N 0 0 285.346 4.677 10 0 CJAERN Nc1ccc([C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000005331689 170086223 /nfs/dbraw/zinc/08/62/23/170086223.db2.gz QKIDMILFDGGLGO-FQEVSTJZSA-N 0 0 273.379 4.643 10 0 CJAERN Nc1ccc([C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000005331710 170086304 /nfs/dbraw/zinc/08/63/04/170086304.db2.gz QKIDMILFDGGLGO-HXUWFJFHSA-N 0 0 273.379 4.643 10 0 CJAERN c1ccc(-c2cc(-c3ccccc3)c3c(n2)CCC3)cc1 ZINC000005332096 170086669 /nfs/dbraw/zinc/08/66/69/170086669.db2.gz QUWRMDNZQLATSO-UHFFFAOYSA-N 0 0 271.363 4.904 10 0 CJAERN Brc1ccc(-n2cccc2-c2ccccc2)cc1 ZINC000005332103 170086751 /nfs/dbraw/zinc/08/67/51/170086751.db2.gz SHWOGJAMFCYQDA-UHFFFAOYSA-N 0 0 298.183 4.907 10 0 CJAERN Clc1ccc(-n2cccc2-c2ccccc2)cc1 ZINC000005332104 170086757 /nfs/dbraw/zinc/08/67/57/170086757.db2.gz GWWBSACZPWISRC-UHFFFAOYSA-N 0 0 253.732 4.798 10 0 CJAERN S=c1scc(-c2ccccc2)n1-c1ccccc1 ZINC000005332110 170086736 /nfs/dbraw/zinc/08/67/36/170086736.db2.gz DLZDGLSUULSGQI-UHFFFAOYSA-N 0 0 269.394 4.935 10 0 CJAERN c1ccc2c(c1)nccc2Sc1ccnc2ccccc21 ZINC000005332211 170086577 /nfs/dbraw/zinc/08/65/77/170086577.db2.gz BWYDHBPTLQNHFN-UHFFFAOYSA-N 0 0 288.375 4.934 10 0 CJAERN CCOC(=O)c1c(-c2ccccc2)c[nH]c1-c1ccccc1 ZINC000005333437 170086753 /nfs/dbraw/zinc/08/67/53/170086753.db2.gz GQIVQYIPRTVRMN-UHFFFAOYSA-N 0 0 291.350 4.525 10 0 CJAERN CCO[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@H](C)OC ZINC000005335554 170086863 /nfs/dbraw/zinc/08/68/63/170086863.db2.gz UUQAIEHDNSUQLR-ATZDWAIDSA-N 0 0 284.399 4.583 10 0 CJAERN CCO[C@H](c1ccccc1)[C@H](c1ccccc1)[C@@H](C)OC ZINC000005335569 170086838 /nfs/dbraw/zinc/08/68/38/170086838.db2.gz UUQAIEHDNSUQLR-AYOQOUSVSA-N 0 0 284.399 4.583 10 0 CJAERN C[C@@H]1CCC[C@@H](C)N1C(=S)Nc1cccc2ccccc21 ZINC000005336036 170087049 /nfs/dbraw/zinc/08/70/49/170087049.db2.gz JUUFRNWEDIBYRJ-ZIAGYGMSSA-N 0 0 298.455 4.800 10 0 CJAERN C[C@H]1CCC[C@H](C)N1C(=S)Nc1cccc2ccccc21 ZINC000005336222 170086983 /nfs/dbraw/zinc/08/69/83/170086983.db2.gz JUUFRNWEDIBYRJ-KBPBESRZSA-N 0 0 298.455 4.800 10 0 CJAERN Fc1ccc(-c2cc3ccc4ccccc4n3c2)cc1 ZINC000005338616 170087443 /nfs/dbraw/zinc/08/74/43/170087443.db2.gz ORPGMEJPHZDYII-UHFFFAOYSA-N 0 0 261.299 4.899 10 0 CJAERN c1ccc2cc(Nc3nc4c(s3)CCC4)ccc2c1 ZINC000005338719 170087526 /nfs/dbraw/zinc/08/75/26/170087526.db2.gz MAWLGDUAQBJVKC-UHFFFAOYSA-N 0 0 266.369 4.529 10 0 CJAERN CCc1cc(-c2ccccc2)cn1Cc1ccccc1 ZINC000005341515 170087889 /nfs/dbraw/zinc/08/78/89/170087889.db2.gz SCTILKZIHUQKTI-UHFFFAOYSA-N 0 0 261.368 4.766 10 0 CJAERN Cc1nn(-c2ccccc2)c(C)c1CSc1ccccc1 ZINC000005378160 170090949 /nfs/dbraw/zinc/09/09/49/170090949.db2.gz PDNREIAOWJJYPU-UHFFFAOYSA-N 0 0 294.423 4.781 10 0 CJAERN CC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000005379283 170091492 /nfs/dbraw/zinc/09/14/92/170091492.db2.gz JKFXVNSVBLNXHS-UHFFFAOYSA-N 0 0 271.168 4.925 10 0 CJAERN CC(C)(C)C(=O)NC1CCCCCCCCCCC1 ZINC000005379501 170091742 /nfs/dbraw/zinc/09/17/42/170091742.db2.gz GWQXTDWEQYMQQI-UHFFFAOYSA-N 0 0 267.457 4.822 10 0 CJAERN Cc1ccc(O)c(Cc2cc(C)cc(C(C)(C)C)c2O)c1 ZINC000005379925 170091434 /nfs/dbraw/zinc/09/14/34/170091434.db2.gz AQADVFQTWTZWGB-UHFFFAOYSA-N 0 0 284.399 4.603 10 0 CJAERN CC(C)(C)c1ccc(OC(=O)c2ccccc2Cl)cc1 ZINC000005379972 170092080 /nfs/dbraw/zinc/09/20/80/170092080.db2.gz HUXTZBUTYMJQLW-UHFFFAOYSA-N 0 0 288.774 4.857 10 0 CJAERN CC(C)c1ccc(/C=C/C(=O)Nc2ccccc2F)cc1 ZINC000005384669 170093110 /nfs/dbraw/zinc/09/31/10/170093110.db2.gz ZDYJOSYSBDSHLW-FMIVXFBMSA-N 0 0 283.346 4.601 10 0 CJAERN Cc1cc(Nc2cccc(Cl)c2)nc2ccccc12 ZINC000005394278 170094430 /nfs/dbraw/zinc/09/44/30/170094430.db2.gz VXYZRGISUQDMQI-UHFFFAOYSA-N 0 0 268.747 4.940 10 0 CJAERN Cc1cccc(N[C@@H]2C[C@H](C)Nc3cc(C)ccc32)c1 ZINC000005394545 170094419 /nfs/dbraw/zinc/09/44/19/170094419.db2.gz WXXKBYOZJGRKRN-KBXCAEBGSA-N 0 0 266.388 4.661 10 0 CJAERN Cc1cccc(N[C@@H]2C[C@@H](C)Nc3cc(C)ccc32)c1 ZINC000005394546 170094546 /nfs/dbraw/zinc/09/45/46/170094546.db2.gz WXXKBYOZJGRKRN-RDTXWAMCSA-N 0 0 266.388 4.661 10 0 CJAERN Cc1cccc(N[C@H]2C[C@H](C)Nc3cc(C)ccc32)c1 ZINC000005394549 170094253 /nfs/dbraw/zinc/09/42/53/170094253.db2.gz WXXKBYOZJGRKRN-KSSFIOAISA-N 0 0 266.388 4.661 10 0 CJAERN Cc1cccc(N[C@H]2C[C@@H](C)Nc3cc(C)ccc32)c1 ZINC000005394550 170094443 /nfs/dbraw/zinc/09/44/43/170094443.db2.gz WXXKBYOZJGRKRN-KDOFPFPSSA-N 0 0 266.388 4.661 10 0 CJAERN Clc1ccccc1Nc1ccc2ccccc2n1 ZINC000005395246 170094493 /nfs/dbraw/zinc/09/44/93/170094493.db2.gz SAJSYYRQTOHOSP-UHFFFAOYSA-N 0 0 254.720 4.632 10 0 CJAERN Cc1ccc(S[C@H](C)C(=O)c2ccc(C)cc2)cc1 ZINC000005413602 170096119 /nfs/dbraw/zinc/09/61/19/170096119.db2.gz BUALDYCKXJCIOF-CQSZACIVSA-N 0 0 270.397 4.667 10 0 CJAERN Cc1ccc(S[C@@H](C)C(=O)c2ccc(C)cc2)cc1 ZINC000005413656 170096140 /nfs/dbraw/zinc/09/61/40/170096140.db2.gz BUALDYCKXJCIOF-AWEZNQCLSA-N 0 0 270.397 4.667 10 0 CJAERN Cc1ccc(Cc2cc(-c3ccccc3)c(C)o2)o1 ZINC000005417635 170096814 /nfs/dbraw/zinc/09/68/14/170096814.db2.gz WFHOODJEHNJHQO-UHFFFAOYSA-N 0 0 252.313 4.747 10 0 CJAERN CCCCCOc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000005419129 170097329 /nfs/dbraw/zinc/09/73/29/170097329.db2.gz MGNPDXLKHWNIER-UHFFFAOYSA-N 0 0 297.398 4.816 10 0 CJAERN CCCCCOc1ccc(NC(=O)c2ccccc2)cc1 ZINC000005419138 170097376 /nfs/dbraw/zinc/09/73/76/170097376.db2.gz LLTBXIPYIVCWDN-UHFFFAOYSA-N 0 0 283.371 4.508 10 0 CJAERN CCCCCOc1ccc(NC(=O)c2ccccc2C)cc1 ZINC000005419142 170097179 /nfs/dbraw/zinc/09/71/79/170097179.db2.gz HFXBYALMZRZSIG-UHFFFAOYSA-N 0 0 297.398 4.816 10 0 CJAERN Cc1ccc(C(C)(C)C)c(Oc2ccccc2N)c1 ZINC000005419767 170097145 /nfs/dbraw/zinc/09/71/45/170097145.db2.gz XOQCIBMHBHDBQP-UHFFFAOYSA-N 0 0 255.361 4.667 10 0 CJAERN Oc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000005421775 170097514 /nfs/dbraw/zinc/09/75/14/170097514.db2.gz JWKZWDVKRDSMLD-UHFFFAOYSA-N 0 0 276.339 4.879 10 0 CJAERN c1c[nH]c(-c2ccc3cc(-c4ccc[nH]4)ccc3c2)c1 ZINC000005426358 170098128 /nfs/dbraw/zinc/09/81/28/170098128.db2.gz DIZAMYKJWMYEIB-UHFFFAOYSA-N 0 0 258.324 4.830 10 0 CJAERN CCCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000005432403 170098995 /nfs/dbraw/zinc/09/89/95/170098995.db2.gz CAEKKUZGQHURPK-UHFFFAOYSA-N 0 0 260.764 4.872 10 0 CJAERN CCCc1ccc(OCc2ccccc2Cl)cc1 ZINC000005432406 170099005 /nfs/dbraw/zinc/09/90/05/170099005.db2.gz SOKLLSJGSJQXIY-UHFFFAOYSA-N 0 0 260.764 4.872 10 0 CJAERN CC(C)(C)Cc1ccc(OC(=O)c2cccs2)cc1 ZINC000005434511 170099116 /nfs/dbraw/zinc/09/91/16/170099116.db2.gz UXMAVLSBKNCNBU-UHFFFAOYSA-N 0 0 274.385 4.556 10 0 CJAERN CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2)c1 ZINC000005434576 170098965 /nfs/dbraw/zinc/09/89/65/170098965.db2.gz GMXYMQVEBDBUGZ-UHFFFAOYSA-N 0 0 274.791 4.934 10 0 CJAERN Cc1ccc(C)c(CSc2ccc(-c3ccco3)nn2)c1 ZINC000005442299 170099503 /nfs/dbraw/zinc/09/95/03/170099503.db2.gz KWRALVMJOSONIB-UHFFFAOYSA-N 0 0 296.395 4.646 10 0 CJAERN CC(C)c1cc2c(cc1O)[C@H](C(C)C)CC(C)(C)O2 ZINC000005447537 170100261 /nfs/dbraw/zinc/10/02/61/170100261.db2.gz GEMGEWMSHHRLGX-AWEZNQCLSA-N 0 0 262.393 4.816 10 0 CJAERN CC(C)c1cc2c(cc1O)[C@@H](C(C)C)CC(C)(C)O2 ZINC000005447538 170100116 /nfs/dbraw/zinc/10/01/16/170100116.db2.gz GEMGEWMSHHRLGX-CQSZACIVSA-N 0 0 262.393 4.816 10 0 CJAERN CC(C)CCCCCCCCCCCN(O)N=O ZINC000005452848 560202225 /nfs/dbraw/zinc/20/22/25/560202225.db2.gz XLTXPTGAYGVGIQ-UHFFFAOYSA-N 0 0 258.406 4.916 10 0 in-vitro CJAERN CCC(CC)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000005454715 170100645 /nfs/dbraw/zinc/10/06/45/170100645.db2.gz SARCWTOIVZPPGH-UHFFFAOYSA-N 0 0 283.371 4.854 10 0 CJAERN CCN(Cc1ccccc1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000005455194 170100481 /nfs/dbraw/zinc/10/04/81/170100481.db2.gz ZUJHYUPVRMJXJI-UHFFFAOYSA-N 0 0 295.426 4.646 10 0 CJAERN CCCCCC(=O)Nc1c(Cl)cccc1Cl ZINC000005459800 170101441 /nfs/dbraw/zinc/10/14/41/170101441.db2.gz KBDNNAWWZYDESQ-UHFFFAOYSA-N 0 0 260.164 4.512 10 0 CJAERN CCCCCCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000005461457 170101571 /nfs/dbraw/zinc/10/15/71/170101571.db2.gz JHJJKXRETOKFNP-UHFFFAOYSA-N 0 0 253.773 4.557 10 0 CJAERN CCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000005461465 170101621 /nfs/dbraw/zinc/10/16/21/170101621.db2.gz PDFPVADETAQXIR-UHFFFAOYSA-N 0 0 274.191 4.902 10 0 CJAERN CCCC[C@@H](CC)C(=O)N(CCCC)CCCC ZINC000005466518 170101986 /nfs/dbraw/zinc/10/19/86/170101986.db2.gz QYRYBAZBHGBWSV-OAHLLOKOSA-N 0 0 255.446 4.632 10 0 CJAERN CCCC[C@H](CC)C(=O)N(CCCC)CCCC ZINC000005467281 170102162 /nfs/dbraw/zinc/10/21/62/170102162.db2.gz QYRYBAZBHGBWSV-HNNXBMFYSA-N 0 0 255.446 4.632 10 0 CJAERN CC[C@@H](C)c1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000005467992 170102035 /nfs/dbraw/zinc/10/20/35/170102035.db2.gz TYCUGAYYYFQWTH-CQSZACIVSA-N 0 0 267.372 4.761 10 0 CJAERN CC[C@H](C)c1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000005468821 170102445 /nfs/dbraw/zinc/10/24/45/170102445.db2.gz TYCUGAYYYFQWTH-AWEZNQCLSA-N 0 0 267.372 4.761 10 0 CJAERN S=c1scc(-c2ccccc2)n1Cc1ccccc1 ZINC000005482921 170104057 /nfs/dbraw/zinc/10/40/57/170104057.db2.gz AKYRBVRRJHJCRN-UHFFFAOYSA-N 0 0 283.421 4.994 10 0 CJAERN CCCCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000005501982 170105140 /nfs/dbraw/zinc/10/51/40/170105140.db2.gz YILGDMSCKCJWJB-UHFFFAOYSA-N 0 0 260.164 4.512 10 0 CJAERN CC[C@@H](C)c1ccccc1NC(=O)/C=C/c1cccc(F)c1 ZINC000005509989 170105931 /nfs/dbraw/zinc/10/59/31/170105931.db2.gz ZWWPPROBVCGSNE-GCZGRYASSA-N 0 0 297.373 4.991 10 0 CJAERN CC[C@H](C)c1ccccc1NC(=O)/C=C/c1cccc(F)c1 ZINC000005509993 170105666 /nfs/dbraw/zinc/10/56/66/170105666.db2.gz ZWWPPROBVCGSNE-GETOMWPZSA-N 0 0 297.373 4.991 10 0 CJAERN CC[C@@H](C)c1ccccc1NC(=O)/C=C/c1ccc(F)cc1 ZINC000005510006 170105716 /nfs/dbraw/zinc/10/57/16/170105716.db2.gz JQFQZPYXACKFBQ-JWAFFJSPSA-N 0 0 297.373 4.991 10 0 CJAERN CC[C@H](C)c1ccccc1NC(=O)/C=C/c1ccc(F)cc1 ZINC000005510008 170105829 /nfs/dbraw/zinc/10/58/29/170105829.db2.gz JQFQZPYXACKFBQ-UELRPHRMSA-N 0 0 297.373 4.991 10 0 CJAERN c1ccc2c(c1)CCc1c3c([nH]c1-2)-c1ccccc1CC3 ZINC000005517088 170107118 /nfs/dbraw/zinc/10/71/18/170107118.db2.gz GYBXRHSBSUHGKM-UHFFFAOYSA-N 0 0 271.363 4.546 10 0 CJAERN Cc1cc(C)c(C(=O)Oc2ccc(C(C)C)cc2)c(C)c1 ZINC000005538406 170110332 /nfs/dbraw/zinc/11/03/32/170110332.db2.gz VCFLHYJYKXJMMZ-UHFFFAOYSA-N 0 0 282.383 4.954 10 0 CJAERN Cc1cc(C)c(NC(=O)Oc2ccccc2)c(Cl)c1 ZINC000005538618 170110413 /nfs/dbraw/zinc/11/04/13/170110413.db2.gz KOLFPRBXJPOPNL-UHFFFAOYSA-N 0 0 275.735 4.568 10 0 CJAERN Cc1cc(C)cc(OC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000005539223 170110625 /nfs/dbraw/zinc/11/06/25/170110625.db2.gz OFZYBJJJBHKTRW-VMPITWQZSA-N 0 0 286.758 4.576 10 0 CJAERN Cc1cc(C)cc(OC(=O)/C=C/c2ccccc2Cl)c1 ZINC000005539232 170110795 /nfs/dbraw/zinc/11/07/95/170110795.db2.gz BXQYYLGSNAWZPU-BQYQJAHWSA-N 0 0 286.758 4.576 10 0 CJAERN Cc1cc(OCc2ccc(Cl)cc2)ccc1Cl ZINC000005540554 170110896 /nfs/dbraw/zinc/11/08/96/170110896.db2.gz SLUXEEXXZVRAIW-UHFFFAOYSA-N 0 0 267.155 4.881 10 0 CJAERN Cc1cc(OCc2ccccc2Cl)ccc1Cl ZINC000005540560 170110701 /nfs/dbraw/zinc/11/07/01/170110701.db2.gz NYWKHKAHMQRHND-UHFFFAOYSA-N 0 0 267.155 4.881 10 0 CJAERN Clc1ccc(/C=C\c2ccncc2)cc1Cl ZINC000005542984 170111312 /nfs/dbraw/zinc/11/13/12/170111312.db2.gz LYYGLEROWUFRPD-UPHRSURJSA-N 0 0 250.128 4.559 10 0 CJAERN Cc1ccc(OC(=O)/C=C/c2ccc(Cl)cc2)cc1C ZINC000005547049 170111435 /nfs/dbraw/zinc/11/14/35/170111435.db2.gz RFNHAKVAYWQXOB-UXBLZVDNSA-N 0 0 286.758 4.576 10 0 CJAERN O=c1cc(-c2ccc(Cl)cc2Cl)oc2ccccc12 ZINC000005548967 170112098 /nfs/dbraw/zinc/11/20/98/170112098.db2.gz MNTWSJDUOWSFDC-UHFFFAOYSA-N 0 0 291.133 4.767 10 0 CJAERN Cc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000005558624 170113178 /nfs/dbraw/zinc/11/31/78/170113178.db2.gz MKZUYVZQJWCVDU-UHFFFAOYSA-N 0 0 297.442 4.848 10 0 CJAERN N=C(c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000005581962 170115947 /nfs/dbraw/zinc/11/59/47/170115947.db2.gz PTXGUWDEUKICHG-UHFFFAOYSA-N 0 0 272.351 4.850 10 0 CJAERN CCOc1ccccc1Nc1cc(C)c2ccccc2n1 ZINC000005585112 170116289 /nfs/dbraw/zinc/11/62/89/170116289.db2.gz CVQLLTLKNXMZBA-UHFFFAOYSA-N 0 0 278.355 4.686 10 0 CJAERN CCc1ccccc1Nc1cc(C)c2ccccc2n1 ZINC000005585469 170116061 /nfs/dbraw/zinc/11/60/61/170116061.db2.gz BETJJNYNQDTYAM-UHFFFAOYSA-N 0 0 262.356 4.849 10 0 CJAERN COc1cccc2c(Nc3ccc(Cl)cc3)cc(C)nc12 ZINC000005587600 170116514 /nfs/dbraw/zinc/11/65/14/170116514.db2.gz NDRCGWAKLAWVQT-UHFFFAOYSA-N 0 0 298.773 4.949 10 0 CJAERN COc1cccc2c(Nc3cccc(Cl)c3)cc(C)nc12 ZINC000005587609 170116661 /nfs/dbraw/zinc/11/66/61/170116661.db2.gz BPGJNCDJPWQFBS-UHFFFAOYSA-N 0 0 298.773 4.949 10 0 CJAERN COc1cccc2c(Nc3ccccc3Cl)cc(C)nc12 ZINC000005587615 170116817 /nfs/dbraw/zinc/11/68/17/170116817.db2.gz KHYVIDSTORWYPU-UHFFFAOYSA-N 0 0 298.773 4.949 10 0 CJAERN Cc1ccc(Nc2nnc(Cl)c3ccccc32)cc1C ZINC000005588096 170116677 /nfs/dbraw/zinc/11/66/77/170116677.db2.gz ZTYJKPXDUQMASJ-UHFFFAOYSA-N 0 0 283.762 4.644 10 0 CJAERN Cc1cccc(C)c1Nc1cc(C)c2ccccc2n1 ZINC000005589846 170116503 /nfs/dbraw/zinc/11/65/03/170116503.db2.gz KDYAUNOITDSPLP-UHFFFAOYSA-N 0 0 262.356 4.904 10 0 CJAERN CCCC[C@@H](CC)C(=O)N(CC)c1ccccc1C ZINC000005591024 170116888 /nfs/dbraw/zinc/11/68/88/170116888.db2.gz ZYTFNTPONKTWRS-OAHLLOKOSA-N 0 0 261.409 4.564 10 0 CJAERN CCCC[C@@H](CC)C(=O)Nc1cccc(Br)c1 ZINC000005591065 170116880 /nfs/dbraw/zinc/11/68/80/170116880.db2.gz NWCUZYKTZUBCAF-LLVKDONJSA-N 0 0 298.224 4.604 10 0 CJAERN CCCC[C@H](CC)C(=O)N(CC)c1ccccc1C ZINC000005591090 170116983 /nfs/dbraw/zinc/11/69/83/170116983.db2.gz ZYTFNTPONKTWRS-HNNXBMFYSA-N 0 0 261.409 4.564 10 0 CJAERN CCCC[C@H](CC)C(=O)Nc1cccc(Br)c1 ZINC000005591130 170117080 /nfs/dbraw/zinc/11/70/80/170117080.db2.gz NWCUZYKTZUBCAF-NSHDSACASA-N 0 0 298.224 4.604 10 0 CJAERN O=C1c2cccn2-c2ccccc2S[C@@H]1c1ccccc1 ZINC000005593566 170117202 /nfs/dbraw/zinc/11/72/02/170117202.db2.gz NZZPYZUATMBWAV-GOSISDBHSA-N 0 0 291.375 4.507 10 0 in-vivo CJAERN Clc1ccccc1-n1cccc1-c1ccccc1 ZINC000005595446 170117848 /nfs/dbraw/zinc/11/78/48/170117848.db2.gz KNXSYVZUHKEBLT-UHFFFAOYSA-N 0 0 253.732 4.798 10 0 CJAERN C(=C/c1cccc(/C=C/c2ccco2)n1)\c1ccco1 ZINC000005596705 170117677 /nfs/dbraw/zinc/11/76/77/170117677.db2.gz VBUKZZMUUHZWFU-GFULKKFKSA-N 0 0 263.296 4.608 10 0 CJAERN CCCCOC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000005596850 170117741 /nfs/dbraw/zinc/11/77/41/170117741.db2.gz ORSGKKKOFDHEDK-UHFFFAOYSA-N 0 0 295.688 4.707 10 0 CJAERN O=C(Oc1cccc2ccccc21)c1cc2ccccc2o1 ZINC000005605022 170118847 /nfs/dbraw/zinc/11/88/47/170118847.db2.gz IBXZCHJTSWZLJG-UHFFFAOYSA-N 0 0 288.302 4.805 10 0 CJAERN Cc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2Cl)o1 ZINC000005618378 170120534 /nfs/dbraw/zinc/12/05/34/170120534.db2.gz DRWSDJFTTAWHHJ-FNORWQNLSA-N 0 0 296.153 4.547 10 0 CJAERN Cc1cc2c(cc1Br)[C@]1(C)CC[C@H](C)[C@]1(C)O2 ZINC000005639626 170122939 /nfs/dbraw/zinc/12/29/39/170122939.db2.gz AZMIIVUEOLBHBL-LKTVYLICSA-N 0 0 295.220 4.596 10 0 in-vitro CJAERN CCC(=O)[C@@H](C)[C@H](Sc1ccccc1)c1ccco1 ZINC000005645354 170123776 /nfs/dbraw/zinc/12/37/76/170123776.db2.gz PIGZUPSMJMARDA-WBMJQRKESA-N 0 0 274.385 4.728 10 0 CJAERN CCC(=O)[C@@H](C)[C@@H](Sc1ccccc1)c1ccco1 ZINC000005645355 170123489 /nfs/dbraw/zinc/12/34/89/170123489.db2.gz PIGZUPSMJMARDA-MLGOLLRUSA-N 0 0 274.385 4.728 10 0 CJAERN CCC(=O)[C@H](C)[C@H](Sc1ccccc1)c1ccco1 ZINC000005645359 170123627 /nfs/dbraw/zinc/12/36/27/170123627.db2.gz PIGZUPSMJMARDA-LRDDRELGSA-N 0 0 274.385 4.728 10 0 CJAERN CCC(=O)[C@H](C)[C@@H](Sc1ccccc1)c1ccco1 ZINC000005645360 170123535 /nfs/dbraw/zinc/12/35/35/170123535.db2.gz PIGZUPSMJMARDA-BLLLJJGKSA-N 0 0 274.385 4.728 10 0 CJAERN CCCCCCSc1nc2cc(OCC)ccc2[nH]1 ZINC000005645730 170123684 /nfs/dbraw/zinc/12/36/84/170123684.db2.gz MTQTUPSHOVZFKS-UHFFFAOYSA-N 0 0 278.421 4.634 10 0 CJAERN O=c1cc(-c2ccccc2)[nH]c2cc(Cl)cc(Cl)c12 ZINC000005647144 170123573 /nfs/dbraw/zinc/12/35/73/170123573.db2.gz ADDCHPPUBPELLX-UHFFFAOYSA-N 0 0 290.149 4.502 10 0 CJAERN CCOC(=O)/C=C(C)\C=C/C[C@@H](C)CCCC(C)C ZINC000005650486 170124261 /nfs/dbraw/zinc/12/42/61/170124261.db2.gz FYQGBXGJFWXIPP-XXHMVZQYSA-N 0 0 266.425 4.905 10 0 CJAERN c1[nH]c2ccccc2c1-c1nc2cccc3cccc([nH]1)c32 ZINC000005685505 170128331 /nfs/dbraw/zinc/12/83/31/170128331.db2.gz ZGUDKMWSHDOIHU-UHFFFAOYSA-N 0 0 283.334 4.864 10 0 CJAERN Cc1cc(C)c(C(=O)Oc2ccc(Cl)cc2C)c(C)c1 ZINC000005697515 170130502 /nfs/dbraw/zinc/13/05/02/170130502.db2.gz QAYHOZLSPBCWBI-UHFFFAOYSA-N 0 0 288.774 4.793 10 0 CJAERN CCc1ccc(C2=NN(c3ccccc3)C(=S)CC2)cc1 ZINC000005716773 134658372 /nfs/dbraw/zinc/65/83/72/134658372.db2.gz BZWLLRBUSYWYOB-UHFFFAOYSA-N 0 0 294.423 4.581 10 0 CJAERN CCc1cccc(CC)c1NC(=O)c1c(C)cc(C)cc1C ZINC000005717582 170132936 /nfs/dbraw/zinc/13/29/36/170132936.db2.gz KXBOCIXLXCYIHP-UHFFFAOYSA-N 0 0 295.426 4.989 10 0 CJAERN Cc1cc(Cl)ccc1OC(=O)c1cccc(Cl)c1 ZINC000005724946 170133549 /nfs/dbraw/zinc/13/35/49/170133549.db2.gz BHLWDJNYZGNVBZ-UHFFFAOYSA-N 0 0 281.138 4.521 10 0 CJAERN FC(F)(F)c1ccc2c(Cl)cc(Cl)cc2n1 ZINC000005740866 170135703 /nfs/dbraw/zinc/13/57/03/170135703.db2.gz IRWKAOKKMDFIGT-UHFFFAOYSA-N 0 0 266.049 4.560 10 0 CJAERN Cc1cccc2c1C(=O)O[C@@]2(C)c1cccc2ccccc21 ZINC000005742907 170135870 /nfs/dbraw/zinc/13/58/70/170135870.db2.gz IRFSCOBQNNMNKI-FQEVSTJZSA-N 0 0 288.346 4.582 10 0 CJAERN Cc1ccc(OC(=O)c2cccc(F)c2)c(C(C)(C)C)c1 ZINC000005750351 170136885 /nfs/dbraw/zinc/13/68/85/170136885.db2.gz DUFXGFPHRMOYDO-UHFFFAOYSA-N 0 0 286.346 4.651 10 0 CJAERN Cc1ccc(Sc2snnc2-c2cccs2)cc1 ZINC000005753037 170137069 /nfs/dbraw/zinc/13/70/69/170137069.db2.gz CYDCTWORGWZHMY-UHFFFAOYSA-N 0 0 290.438 4.726 10 0 CJAERN Cc1ccc(-c2ccc(OC(=O)C(C)(C)C)cc2)cc1 ZINC000005753344 170137202 /nfs/dbraw/zinc/13/72/02/170137202.db2.gz BOHZDGZGNGPZDB-UHFFFAOYSA-N 0 0 268.356 4.614 10 0 CJAERN Cc1ccc(-c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000005753364 170137110 /nfs/dbraw/zinc/13/71/10/170137110.db2.gz OGBCXTSVYCAPQE-UHFFFAOYSA-N 0 0 288.346 4.881 10 0 CJAERN CC1(C)C=Cc2ccc(OC3CCCCCC3)cc2O1 ZINC000005762077 170137740 /nfs/dbraw/zinc/13/77/40/170137740.db2.gz PGURYYOXCLKWTD-UHFFFAOYSA-N 0 0 272.388 4.972 10 0 CJAERN CC(=O)c1cc2c(cc1C)C(C)(C)[C@H](C)[C@H]2C(C)C ZINC000005765256 170138582 /nfs/dbraw/zinc/13/85/82/170138582.db2.gz IMRYETFJNLKUHK-SJKOYZFVSA-N 0 0 258.405 4.865 10 0 in-vitro CJAERN Clc1ccc(NCCNc2ccc(Cl)cc2)cc1 ZINC000005769804 170138812 /nfs/dbraw/zinc/13/88/12/170138812.db2.gz QKJZBOKFKZKQIG-UHFFFAOYSA-N 0 0 281.186 4.517 10 0 CJAERN Clc1ccc(Nc2nnc(Cl)c3ccccc32)cc1 ZINC000005776990 170139503 /nfs/dbraw/zinc/13/95/03/170139503.db2.gz RAUVPXRMDTXJPQ-UHFFFAOYSA-N 0 0 290.153 4.680 10 0 CJAERN Cc1ccc(C)c2c(Cl)c3c(nc12)CCCCC3 ZINC000005781264 170140067 /nfs/dbraw/zinc/14/00/67/170140067.db2.gz CSANWHVDIQWLEU-UHFFFAOYSA-N 0 0 259.780 4.774 10 0 CJAERN Clc1cc(Cl)c(C(Cl)(Cl)Cl)nc1Cl ZINC000005783877 170139976 /nfs/dbraw/zinc/13/99/76/170139976.db2.gz MSRGJVQTGNSQOZ-UHFFFAOYSA-N 0 0 299.799 4.869 10 0 CJAERN CCCC[C@@H](CC)C(=O)Nc1ccc(C(C)C)cc1 ZINC000005793052 170140669 /nfs/dbraw/zinc/14/06/69/170140669.db2.gz PUVDTZCTXAYRGK-CQSZACIVSA-N 0 0 261.409 4.965 10 0 CJAERN CCCC[C@@H](CC)C(=O)n1cnc2cc(C)c(C)cc21 ZINC000005793063 170140698 /nfs/dbraw/zinc/14/06/98/170140698.db2.gz XJPFGKQSLGODON-CQSZACIVSA-N 0 0 272.392 4.510 10 0 CJAERN CCCC[C@H](CC)C(=O)Nc1ccc(C(C)C)cc1 ZINC000005793163 170140783 /nfs/dbraw/zinc/14/07/83/170140783.db2.gz PUVDTZCTXAYRGK-AWEZNQCLSA-N 0 0 261.409 4.965 10 0 CJAERN CCCC[C@H](CC)C(=O)n1cnc2cc(C)c(C)cc21 ZINC000005793176 170140743 /nfs/dbraw/zinc/14/07/43/170140743.db2.gz XJPFGKQSLGODON-AWEZNQCLSA-N 0 0 272.392 4.510 10 0 CJAERN Cc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000005794413 170140628 /nfs/dbraw/zinc/14/06/28/170140628.db2.gz AYCCTLYQYQZETQ-MDWZMJQESA-N 0 0 279.383 4.770 10 0 CJAERN CSC1=Nc2ccccc2N=C(c2ccccc2)C1 ZINC000005811539 170142520 /nfs/dbraw/zinc/14/25/20/170142520.db2.gz ZTKLRYVOHDXCKV-UHFFFAOYSA-N 0 0 266.369 4.604 10 0 CJAERN COc1ccc(C2=Nc3ccccc3N=C(SC)C2)cc1 ZINC000005811541 170142326 /nfs/dbraw/zinc/14/23/26/170142326.db2.gz WTJZQIABEHYFKS-UHFFFAOYSA-N 0 0 296.395 4.613 10 0 CJAERN Cc1ccc2[nH]c(COc3cccc4ccccc43)nc2c1 ZINC000005818395 170143563 /nfs/dbraw/zinc/14/35/63/170143563.db2.gz PUHWCMFDNKSPKO-UHFFFAOYSA-N 0 0 288.350 4.604 10 0 CJAERN Cc1ccc2[nH]c(Cc3cccc4ccccc43)nc2c1 ZINC000005818402 170143755 /nfs/dbraw/zinc/14/37/55/170143755.db2.gz NFWTUIHQPSOQRU-UHFFFAOYSA-N 0 0 272.351 4.615 10 0 CJAERN CCCC1(C)COC(/C=C(/C)CCC=C(C)C)OC1 ZINC000005819805 170143918 /nfs/dbraw/zinc/14/39/18/170143918.db2.gz RIIZJSVMCGCUBU-PTNGSMBKSA-N 0 0 266.425 4.858 10 0 CJAERN CCCC1CCC(C(=O)Oc2ccc(OCC)cc2)CC1 ZINC000005819840 170144216 /nfs/dbraw/zinc/14/42/16/170144216.db2.gz DCCOHKNJQHHEHV-UHFFFAOYSA-N 0 0 290.403 4.597 10 0 CJAERN CCCC[C@@H](CC)C(=O)OCCCCCC(C)C ZINC000005821727 170144114 /nfs/dbraw/zinc/14/41/14/170144114.db2.gz ARKBMHLACAUIQS-OAHLLOKOSA-N 0 0 256.430 4.962 10 0 CJAERN CCCC[C@H](CC)C(=O)OCCCCCC(C)C ZINC000005822046 170144026 /nfs/dbraw/zinc/14/40/26/170144026.db2.gz ARKBMHLACAUIQS-HNNXBMFYSA-N 0 0 256.430 4.962 10 0 CJAERN CCCCc1c(O)c2ccoc2c(OC)c1CCCC ZINC000005831755 170144726 /nfs/dbraw/zinc/14/47/26/170144726.db2.gz XIXZNMIOSSSXPJ-UHFFFAOYSA-N 0 0 276.376 4.832 10 0 CJAERN CCCSc1c(Cl)cnc(Cl)c1Cl ZINC000005837333 170145507 /nfs/dbraw/zinc/14/55/07/170145507.db2.gz AJXXZBRIJJPKSB-UHFFFAOYSA-N 0 0 256.585 4.544 10 0 CJAERN Cc1cccc(C(=O)n2c3ccccc3c3c2CCCC3)c1 ZINC000005858159 170147631 /nfs/dbraw/zinc/14/76/31/170147631.db2.gz AJTDMUHTJNCBMA-UHFFFAOYSA-N 0 0 289.378 4.517 10 0 CJAERN CC(C)c1ccc(/C=C\C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000005860229 170147643 /nfs/dbraw/zinc/14/76/43/170147643.db2.gz JUQGFJZCFTZBAK-QBOMHBFWSA-N 0 0 293.410 4.701 10 0 CJAERN CC(C)c1ccc(/C=C\C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000005860234 170147619 /nfs/dbraw/zinc/14/76/19/170147619.db2.gz JUQGFJZCFTZBAK-SYCZXOQXSA-N 0 0 293.410 4.701 10 0 CJAERN C/C(=C/c1ccccc1)C(=O)Nc1ccccc1C(C)C ZINC000005862890 170148058 /nfs/dbraw/zinc/14/80/58/170148058.db2.gz MCQMUPFUHZKMOP-SQFISAMPSA-N 0 0 279.383 4.852 10 0 CJAERN Cc1ccccc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000005884968 170149914 /nfs/dbraw/zinc/14/99/14/170149914.db2.gz NUWKEWXWZZBGRI-JLHYYAGUSA-N 0 0 279.383 4.770 10 0 CJAERN Cc1ccn2c(c1)nc(-c1ccc3ccccc3c1)c2N=O ZINC000005892829 170151156 /nfs/dbraw/zinc/15/11/56/170151156.db2.gz WKFMQFSCDPRVJE-UHFFFAOYSA-N 0 0 287.322 4.861 10 0 CJAERN Cc1nc(C(C)C)c(Cc2cc(Cl)cc(Cl)c2)n1C ZINC000005892990 170151123 /nfs/dbraw/zinc/15/11/23/170151123.db2.gz LQVGMGCAGDLNMR-UHFFFAOYSA-N 0 0 297.229 4.750 10 0 CJAERN Cc1nc(C(C)C)c(Sc2cccc(Cl)c2)n1C ZINC000005892995 170150890 /nfs/dbraw/zinc/15/08/90/170150890.db2.gz URAVBJOMEZLKJX-UHFFFAOYSA-N 0 0 280.824 4.657 10 0 CJAERN CC(C)(C)C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000005900748 170152625 /nfs/dbraw/zinc/15/26/25/170152625.db2.gz DQWXPGSGBJVHPN-UHFFFAOYSA-N 0 0 265.441 4.527 10 0 CJAERN CCC(C)(C)c1ccc(OC(=O)c2cccs2)cc1 ZINC000005917149 170155310 /nfs/dbraw/zinc/15/53/10/170155310.db2.gz GUPGSMGPYVXKFQ-UHFFFAOYSA-N 0 0 274.385 4.655 10 0 CJAERN CC[C@@H](c1ccc(O)cc1)[C@@H](CCF)c1ccc(O)cc1 ZINC000005923212 170155923 /nfs/dbraw/zinc/15/59/23/170155923.db2.gz WJHRTUIAPLGNMC-ROUUACIJSA-N 0 0 288.362 4.735 10 0 CJAERN CC[C@@H](c1ccc(O)cc1)[C@H](CCF)c1ccc(O)cc1 ZINC000005923224 170155787 /nfs/dbraw/zinc/15/57/87/170155787.db2.gz WJHRTUIAPLGNMC-ZWKOTPCHSA-N 0 0 288.362 4.735 10 0 CJAERN CCC[C@@H](C)NC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000005924055 170155915 /nfs/dbraw/zinc/15/59/15/170155915.db2.gz WCEUKBCYYLIZFO-URTGMZOISA-N 0 0 293.410 4.532 10 0 CJAERN CC[C@H](c1ccc(O)cc1)[C@@H](CCF)c1ccc(O)cc1 ZINC000005925932 170156271 /nfs/dbraw/zinc/15/62/71/170156271.db2.gz WJHRTUIAPLGNMC-MSOLQXFVSA-N 0 0 288.362 4.735 10 0 CJAERN CC[C@H](c1ccc(O)cc1)[C@H](CCF)c1ccc(O)cc1 ZINC000005925942 170156706 /nfs/dbraw/zinc/15/67/06/170156706.db2.gz WJHRTUIAPLGNMC-QZTJIDSGSA-N 0 0 288.362 4.735 10 0 CJAERN Oc1ccc(-c2ccccc2)cc1Cc1ccccc1 ZINC000005933715 170157604 /nfs/dbraw/zinc/15/76/04/170157604.db2.gz YZCWXIRNXBSTTB-UHFFFAOYSA-N 0 0 260.336 4.650 10 0 CJAERN C(=C/c1ccc2ccccc2n1)\c1ccc2ccccc2n1 ZINC000005939992 170159082 /nfs/dbraw/zinc/15/90/82/170159082.db2.gz QEDUGYICAASIKG-BUHFOSPRSA-N 0 0 282.346 4.953 10 0 CJAERN CCCC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000005950950 170160796 /nfs/dbraw/zinc/16/07/96/170160796.db2.gz MUFHRYIYKDVTGG-UHFFFAOYSA-N 0 0 294.807 4.511 10 0 CJAERN CCCCN(CCCC)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005951450 170160834 /nfs/dbraw/zinc/16/08/34/170160834.db2.gz LFBNVDJZDSUXPD-UHFFFAOYSA-N 0 0 291.479 4.632 10 0 CJAERN CCCCc1ccc(NC(=O)Nc2ccccc2C)cc1 ZINC000005951826 170161510 /nfs/dbraw/zinc/16/15/10/170161510.db2.gz WDYHDMZZMWPABX-UHFFFAOYSA-N 0 0 282.387 4.982 10 0 CJAERN c1cn([C@@H](c2c[nH]cc2-c2ccccc2)c2ccccc2)cn1 ZINC000005974743 170164855 /nfs/dbraw/zinc/16/48/55/170164855.db2.gz OXAYMRKIQACOMU-HXUWFJFHSA-N 0 0 299.377 4.516 10 0 CJAERN c1cn([C@H](c2c[nH]cc2-c2ccccc2)c2ccccc2)cn1 ZINC000005974752 170164984 /nfs/dbraw/zinc/16/49/84/170164984.db2.gz OXAYMRKIQACOMU-FQEVSTJZSA-N 0 0 299.377 4.516 10 0 CJAERN CCc1cccc(C)c1NC(=O)/C(C)=C\c1ccccc1 ZINC000006007127 170167927 /nfs/dbraw/zinc/16/79/27/170167927.db2.gz QOAQHACTCHPVII-SQFISAMPSA-N 0 0 279.383 4.599 10 0 CJAERN C[C@H]1OC2(CCCCCCCCCCC2)O[C@H]1C ZINC000006031709 170169766 /nfs/dbraw/zinc/16/97/66/170169766.db2.gz WNWSBQSNVBSDST-GASCZTMLSA-N 0 0 254.414 4.811 10 0 CJAERN C[C@H]1OC2(CCCCCCCCCCC2)O[C@@H]1C ZINC000006031818 170169954 /nfs/dbraw/zinc/16/99/54/170169954.db2.gz WNWSBQSNVBSDST-HUUCEWRRSA-N 0 0 254.414 4.811 10 0 CJAERN Cc1cccc(CSc2nc(C)c3cc(C)ccc3n2)c1 ZINC000006034703 170170141 /nfs/dbraw/zinc/17/01/41/170170141.db2.gz LRINCIVXNWAQBY-UHFFFAOYSA-N 0 0 294.423 4.847 10 0 CJAERN CCCCC(=O)Nc1nc(-c2ccc(CC)cc2)cs1 ZINC000006039806 170170869 /nfs/dbraw/zinc/17/08/69/170170869.db2.gz NRYWBXLJYAIUTQ-UHFFFAOYSA-N 0 0 288.416 4.501 10 0 CJAERN CCCCCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000006041965 170170745 /nfs/dbraw/zinc/17/07/45/170170745.db2.gz HGEJQUFBGKAVSD-UHFFFAOYSA-N 0 0 274.191 4.902 10 0 CJAERN CCCCCCC(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000006042031 170171019 /nfs/dbraw/zinc/17/10/19/170171019.db2.gz FXPCTIOEZSCWFB-UHFFFAOYSA-N 0 0 296.823 4.859 10 0 CJAERN CCCCCCN(CCCCCC)C(=O)C(C)C ZINC000006042046 170170996 /nfs/dbraw/zinc/17/09/96/170170996.db2.gz DNDXYYRWIVBWAP-UHFFFAOYSA-N 0 0 255.446 4.632 10 0 CJAERN CCCCCCN(CCCCCC)C(=O)c1ccco1 ZINC000006042117 170171008 /nfs/dbraw/zinc/17/10/08/170171008.db2.gz HGKGAIAXRXYHMV-UHFFFAOYSA-N 0 0 279.424 4.882 10 0 CJAERN CCCCCN(CCCCC)C(=O)c1ccc(F)cc1 ZINC000006042255 170171007 /nfs/dbraw/zinc/17/10/07/170171007.db2.gz ZXONQJVMJKWYKD-UHFFFAOYSA-N 0 0 279.399 4.648 10 0 CJAERN CCCC[C@@H](CC)CNC(=O)[C@@H](CC)CCCC ZINC000006042916 170171402 /nfs/dbraw/zinc/17/14/02/170171402.db2.gz NXLBBKQIOWRQOU-CABCVRRESA-N 0 0 255.446 4.535 10 0 CJAERN CCCC[C@@H](CC)CNC(=O)[C@H](CC)CCCC ZINC000006042921 170171346 /nfs/dbraw/zinc/17/13/46/170171346.db2.gz NXLBBKQIOWRQOU-HUUCEWRRSA-N 0 0 255.446 4.535 10 0 CJAERN CCCC[C@H](CC)CNC(=O)[C@@H](CC)CCCC ZINC000006043102 170171238 /nfs/dbraw/zinc/17/12/38/170171238.db2.gz NXLBBKQIOWRQOU-GJZGRUSLSA-N 0 0 255.446 4.535 10 0 CJAERN CCCC[C@@H](CC)C(=O)NC[C@@H](CC)CCCC ZINC000006043107 170171357 /nfs/dbraw/zinc/17/13/57/170171357.db2.gz NXLBBKQIOWRQOU-LSDHHAIUSA-N 0 0 255.446 4.535 10 0 CJAERN CCCCc1ccc(NC(=O)/C=C/c2cccs2)cc1 ZINC000006043141 170171291 /nfs/dbraw/zinc/17/12/91/170171291.db2.gz BWTIDZLBISEAJB-VAWYXSNFSA-N 0 0 285.412 4.743 10 0 CJAERN C[C@@H]1OC2(CCCCCCCCCCC2)O[C@H]1C ZINC000006066888 170173675 /nfs/dbraw/zinc/17/36/75/170173675.db2.gz WNWSBQSNVBSDST-GJZGRUSLSA-N 0 0 254.414 4.811 10 0 CJAERN COc1c(OC2CCCC2)cc2c(c1C)C=CC(C)(C)O2 ZINC000006069193 170173779 /nfs/dbraw/zinc/17/37/79/170173779.db2.gz OZFNASMNVLDJPJ-UHFFFAOYSA-N 0 0 288.387 4.509 10 0 CJAERN Cc1cc(O)c(Cc2ccccc2)cc1Cc1ccccc1 ZINC000006069807 170173621 /nfs/dbraw/zinc/17/36/21/170173621.db2.gz DSGBRCTVPMDCGH-UHFFFAOYSA-N 0 0 288.390 4.882 10 0 CJAERN CC(=O)c1cc2c(cc1C)C(C)(C)[C@@H](C)[C@H]2C(C)C ZINC000006070391 170174201 /nfs/dbraw/zinc/17/42/01/170174201.db2.gz IMRYETFJNLKUHK-YVEFUNNKSA-N 0 0 258.405 4.865 10 0 in-vitro CJAERN Clc1nsnc1Oc1ccc(-c2ccccc2)cc1 ZINC000006084736 170174597 /nfs/dbraw/zinc/17/45/97/170174597.db2.gz PCUYFNTZVWPCGD-UHFFFAOYSA-N 0 0 288.759 4.651 10 0 CJAERN O=C(c1ccccc1Cl)c1cc(Cl)ccc1Cl ZINC000006095228 170176256 /nfs/dbraw/zinc/17/62/56/170176256.db2.gz MKLXVYRSKJSNGW-UHFFFAOYSA-N 0 0 285.557 4.878 10 0 CJAERN CC[C@@H](C)N(C(=O)CCC1CCCCC1)[C@H](C)CC ZINC000006115760 170176459 /nfs/dbraw/zinc/17/64/59/170176459.db2.gz OTZZRGNFDQJFEB-HUUCEWRRSA-N 0 0 267.457 4.773 10 0 CJAERN c1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2 ZINC000006116794 170176966 /nfs/dbraw/zinc/17/69/66/170176966.db2.gz KTNZDKBUNJCAGR-UHFFFAOYSA-N 0 0 259.352 4.768 10 0 CJAERN Clc1cc(Cl)c2c(c1)NCCc1ccccc1O2 ZINC000006117238 170177247 /nfs/dbraw/zinc/17/72/47/170177247.db2.gz KJAYHJPUTJSQMK-UHFFFAOYSA-N 0 0 280.154 4.754 10 0 CJAERN CC[C@H](C)N(C(=O)CCC1CCCCC1)[C@@H](C)CC ZINC000006120098 170177799 /nfs/dbraw/zinc/17/77/99/170177799.db2.gz OTZZRGNFDQJFEB-GJZGRUSLSA-N 0 0 267.457 4.773 10 0 CJAERN Cc1ccc(/C=C\C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000006131102 170178992 /nfs/dbraw/zinc/17/89/92/170178992.db2.gz XQBJMISKBLITBV-NTMALXAHSA-N 0 0 285.774 4.609 10 0 CJAERN O=C(/C=C\c1ccc(Cl)c(Cl)c1)Nc1ccccc1 ZINC000006133344 170178829 /nfs/dbraw/zinc/17/88/29/170178829.db2.gz QOZJQWRLWIDBSS-CLFYSBASSA-N 0 0 292.165 4.645 10 0 CJAERN Cc1cccc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000006151895 170179257 /nfs/dbraw/zinc/17/92/57/170179257.db2.gz LVNRFCFYRYHIAZ-HNNXBMFYSA-N 0 0 289.378 4.639 10 0 CJAERN Cc1cccc(C(=O)N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000006151896 170179145 /nfs/dbraw/zinc/17/91/45/170179145.db2.gz LVNRFCFYRYHIAZ-OAHLLOKOSA-N 0 0 289.378 4.639 10 0 CJAERN CC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000006159115 170179621 /nfs/dbraw/zinc/17/96/21/170179621.db2.gz KZHJKWBXJOUOSU-UHFFFAOYSA-N 0 0 270.275 4.637 10 0 CJAERN CC(C)CCC[C@@H](C)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000006159559 170179721 /nfs/dbraw/zinc/17/97/21/170179721.db2.gz CCHGADQODSMPGV-BRADTZPFSA-N 0 0 293.838 4.684 10 0 CJAERN CC(C)CCC[C@H](C)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000006159569 170179823 /nfs/dbraw/zinc/17/98/23/170179823.db2.gz CCHGADQODSMPGV-TZIYXEQSSA-N 0 0 293.838 4.684 10 0 CJAERN Cc1cc(OC(=O)c2cccc(Cl)c2)cc(C)c1Cl ZINC000006188825 170181695 /nfs/dbraw/zinc/18/16/95/170181695.db2.gz RCVYPVVRCHZLBL-UHFFFAOYSA-N 0 0 295.165 4.829 10 0 CJAERN CC(C)CCC[C@@H](C)NC(=O)/C=C\c1ccccc1Cl ZINC000006213502 519643344 /nfs/dbraw/zinc/64/33/44/519643344.db2.gz SXTCNRDWNCKAMA-XMXAVACDSA-N 0 0 293.838 4.684 10 0 CJAERN Cc1ccc(/C=C/C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000006213857 170183173 /nfs/dbraw/zinc/18/31/73/170183173.db2.gz IJJPLEJKARFVBY-NTEUORMPSA-N 0 0 293.410 4.944 10 0 CJAERN S=c1[nH]nc(-c2ccc(Cl)cc2)c2ccccc12 ZINC000006243856 170185019 /nfs/dbraw/zinc/18/50/19/170185019.db2.gz OXZOFXHUPJWMLY-UHFFFAOYSA-N 0 0 272.760 4.613 10 0 CJAERN C[C@@H]1C[C@@H](C)CN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)C1 ZINC000006250737 170185886 /nfs/dbraw/zinc/18/58/86/170185886.db2.gz BBFIQCSELONBQZ-ZVYLKZBJSA-N 0 0 299.458 4.502 10 0 CJAERN C[C@H]1C[C@H](C)CN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)C1 ZINC000006253771 170185779 /nfs/dbraw/zinc/18/57/79/170185779.db2.gz BBFIQCSELONBQZ-RYRVOACTSA-N 0 0 299.458 4.502 10 0 CJAERN Cc1ccc(C(=O)Oc2ccccc2-c2ccccc2)cc1 ZINC000006274781 170187395 /nfs/dbraw/zinc/18/73/95/170187395.db2.gz VMKPHVVSWPCPLE-UHFFFAOYSA-N 0 0 288.346 4.881 10 0 CJAERN Clc1cccc(Cl)c1Cn1ccc2ccccc21 ZINC000006277088 170187851 /nfs/dbraw/zinc/18/78/51/170187851.db2.gz RFWXDYBWDLOWPQ-UHFFFAOYSA-N 0 0 276.166 4.996 10 0 CJAERN CC(C)(C)CC(C)(C)NC(=O)Nc1ccc(Cl)cc1 ZINC000006298259 170189541 /nfs/dbraw/zinc/18/95/41/170189541.db2.gz QGLXGUGJADELRH-UHFFFAOYSA-N 0 0 282.815 4.676 10 0 CJAERN C/C(=C\c1ccccc1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000006307496 170189825 /nfs/dbraw/zinc/18/98/25/170189825.db2.gz XULWQEQRENUQSV-FYWRMAATSA-N 0 0 279.383 4.852 10 0 CJAERN CCC(CC)NC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000006309474 170190132 /nfs/dbraw/zinc/19/01/32/170190132.db2.gz DXMNGIJKHSDTEA-CYVLTUHYSA-N 0 0 293.410 4.532 10 0 CJAERN CCCCCC[C@H](C)NC(=O)/C(C)=C\c1ccccc1 ZINC000006310053 170190210 /nfs/dbraw/zinc/19/02/10/170190210.db2.gz VBEQKFMZLZVNSH-FCFCDCELSA-N 0 0 273.420 4.565 10 0 CJAERN CCC[C@H](C)NC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000006311364 170190112 /nfs/dbraw/zinc/19/01/12/170190112.db2.gz WCEUKBCYYLIZFO-JQSQVVPISA-N 0 0 293.410 4.532 10 0 CJAERN CCN(C(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1C ZINC000006311652 170190335 /nfs/dbraw/zinc/19/03/35/170190335.db2.gz JJLIOXNGHDPQKC-JLHYYAGUSA-N 0 0 299.801 4.715 10 0 CJAERN CC(C)(C)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000006313556 170190429 /nfs/dbraw/zinc/19/04/29/170190429.db2.gz NDMYQLYYIDQVAP-UHFFFAOYSA-N 0 0 259.393 4.503 10 0 CJAERN Cc1ccccc1C(=O)Oc1ccccc1-c1ccccc1 ZINC000006318776 170191036 /nfs/dbraw/zinc/19/10/36/170191036.db2.gz FFIDUJGFQZZRER-UHFFFAOYSA-N 0 0 288.346 4.881 10 0 CJAERN CCc1ccc(NCc2ccc(C(C)C)cc2)cc1 ZINC000006319613 170191046 /nfs/dbraw/zinc/19/10/46/170191046.db2.gz FBZOBLBJPXGOAK-UHFFFAOYSA-N 0 0 253.389 4.985 10 0 CJAERN COc1ccc(Nc2ccc3ccccc3n2)cc1Cl ZINC000006320121 170191076 /nfs/dbraw/zinc/19/10/76/170191076.db2.gz ODZWLIVWALAMCJ-UHFFFAOYSA-N 0 0 284.746 4.640 10 0 CJAERN CC(C)CNC(=S)NC1CCCCCCCCCCC1 ZINC000006326415 170191458 /nfs/dbraw/zinc/19/14/58/170191458.db2.gz RZAAOVKRDVYIGT-UHFFFAOYSA-N 0 0 298.540 4.780 10 0 CJAERN O=C(NCCC1=CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000006329221 170191844 /nfs/dbraw/zinc/19/18/44/170191844.db2.gz PCWHAWUGBJVATA-UHFFFAOYSA-N 0 0 298.213 4.614 10 0 CJAERN CC[C@@H]1CCc2sc(C(=O)Nc3ccccc3)cc2C1 ZINC000006338450 170193808 /nfs/dbraw/zinc/19/38/08/170193808.db2.gz IXVBFPNQKRAIFE-GFCCVEGCSA-N 0 0 285.412 4.515 10 0 CJAERN CC[C@H]1CCc2sc(C(=O)Nc3ccccc3)cc2C1 ZINC000006338453 170193516 /nfs/dbraw/zinc/19/35/16/170193516.db2.gz IXVBFPNQKRAIFE-LBPRGKRZSA-N 0 0 285.412 4.515 10 0 CJAERN Cc1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000006339500 170194014 /nfs/dbraw/zinc/19/40/14/170194014.db2.gz GUARIIIAASFTLE-UHFFFAOYSA-N 0 0 283.415 4.540 10 0 CJAERN C(=C/c1ccccc1)\CNc1cccc2ccccc21 ZINC000006346056 170194498 /nfs/dbraw/zinc/19/44/98/170194498.db2.gz CYLXFMNXWCACBH-JXMROGBWSA-N 0 0 259.352 4.965 10 0 CJAERN CC(C)c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1 ZINC000006372539 170196094 /nfs/dbraw/zinc/19/60/94/170196094.db2.gz ZWMOXPLXCCRVIR-IZZDOVSWSA-N 0 0 283.346 4.601 10 0 CJAERN Cc1ccc(OCCC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000006372568 170195850 /nfs/dbraw/zinc/19/58/50/170195850.db2.gz YDGLVFXYFIMMST-UHFFFAOYSA-N 0 0 297.398 4.526 10 0 CJAERN CCSc1ccccc1C(=O)N(CC)c1ccccc1C ZINC000006438607 170201286 /nfs/dbraw/zinc/20/12/86/170201286.db2.gz XXKFNUDQOFQZFY-UHFFFAOYSA-N 0 0 299.439 4.774 10 0 CJAERN C/C(=C\c1ccccc1)C(=O)Nc1cccc(Cl)c1C ZINC000006470022 170203287 /nfs/dbraw/zinc/20/32/87/170203287.db2.gz QDJYPRHKCBFGLW-VAWYXSNFSA-N 0 0 285.774 4.690 10 0 CJAERN C/C(=C\c1ccccc1)C(=O)Nc1c(C)cc(C)cc1C ZINC000006475332 170203771 /nfs/dbraw/zinc/20/37/71/170203771.db2.gz KDVLFTGLVYZNLA-FOWTUZBSSA-N 0 0 279.383 4.654 10 0 CJAERN Cc1cc2ncn(C(=O)CCC3CCCCC3)c2cc1C ZINC000006477896 170204312 /nfs/dbraw/zinc/20/43/12/170204312.db2.gz IWOJTLFRZHUZRB-UHFFFAOYSA-N 0 0 284.403 4.654 10 0 CJAERN Cc1cccc2c1C(=O)O[C@]2(C)c1cccc2ccccc21 ZINC000006491364 170206035 /nfs/dbraw/zinc/20/60/35/170206035.db2.gz IRFSCOBQNNMNKI-HXUWFJFHSA-N 0 0 288.346 4.582 10 0 CJAERN C/C(=C\c1ccccc1)C(=O)Nc1cc(Cl)ccc1C ZINC000006519674 170208951 /nfs/dbraw/zinc/20/89/51/170208951.db2.gz QVMVQVBGUCJDHH-JLHYYAGUSA-N 0 0 285.774 4.690 10 0 CJAERN Cc1ccc(-n2c3ccccc3nc2C2CCC2)cc1 ZINC000006550106 170212318 /nfs/dbraw/zinc/21/23/18/170212318.db2.gz BSXYUVCNXSLFJY-UHFFFAOYSA-N 0 0 262.356 4.601 10 0 CJAERN CCCCn1c(COc2ccccc2C)nc2ccccc21 ZINC000006564536 170213704 /nfs/dbraw/zinc/21/37/04/170213704.db2.gz HDBRUVJNZPRFHF-UHFFFAOYSA-N 0 0 294.398 4.724 10 0 CJAERN c1ccc(C2c3ccccc3Nc3ccccc32)cc1 ZINC000006574942 170214737 /nfs/dbraw/zinc/21/47/37/170214737.db2.gz SIRJGOXQWBRPMK-UHFFFAOYSA-N 0 0 257.336 4.924 10 0 CJAERN O=C1O[C@H](c2cccc3c(Cl)cccc32)c2ccccc21 ZINC000006576180 170214572 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299.757 4.955 10 0 CJAERN Cc1c2cc(C)ccc2oc1C(=O)Nc1cccc(Cl)c1 ZINC000006860153 170250659 /nfs/dbraw/zinc/25/06/59/170250659.db2.gz DMTSOTSMICNLJH-UHFFFAOYSA-N 0 0 299.757 4.955 10 0 CJAERN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1cccc(C)c1 ZINC000006860375 170250719 /nfs/dbraw/zinc/25/07/19/170250719.db2.gz CSZONHNLYANHTF-UHFFFAOYSA-N 0 0 293.366 4.919 10 0 CJAERN Cc1c2cc(C)ccc2oc1C(=O)Nc1cccc(C)c1 ZINC000006860376 170250555 /nfs/dbraw/zinc/25/05/55/170250555.db2.gz MRGAFJZSEJGYLG-UHFFFAOYSA-N 0 0 279.339 4.610 10 0 CJAERN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccccc1C ZINC000006861131 170250641 /nfs/dbraw/zinc/25/06/41/170250641.db2.gz SLVNOLFTPRABJW-UHFFFAOYSA-N 0 0 293.366 4.919 10 0 CJAERN CCNc1nc(-c2ccc(C)cc2)nc2cc(Cl)ccc21 ZINC000006874571 170251733 /nfs/dbraw/zinc/25/17/33/170251733.db2.gz YQFYIEYAQMHACA-UHFFFAOYSA-N 0 0 297.789 4.690 10 0 CJAERN O=c1cccc2[nH]c(-c3ccccc3)c(-c3ccccc3)nc1-2 ZINC000006885632 170253206 /nfs/dbraw/zinc/25/32/06/170253206.db2.gz GPSSFUQWADPKPP-UHFFFAOYSA-N 0 0 298.345 4.669 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170283313 /nfs/dbraw/zinc/28/33/13/170283313.db2.gz DREXGRADUAADGT-VQHVLOKHSA-N 0 0 285.774 4.609 10 0 CJAERN CC(C)[C@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000007609457 170293589 /nfs/dbraw/zinc/29/35/89/170293589.db2.gz QTHCQXNZIYLWFK-INIZCTEOSA-N 0 0 287.790 4.718 10 0 CJAERN CC(C)[C@@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000007609458 170293608 /nfs/dbraw/zinc/29/36/08/170293608.db2.gz QTHCQXNZIYLWFK-MRXNPFEDSA-N 0 0 287.790 4.718 10 0 CJAERN CCCCCOc1ccc(C(=O)Nc2cccc(C)c2)cc1 ZINC000007610318 170293732 /nfs/dbraw/zinc/29/37/32/170293732.db2.gz SHQAALOWGYHQBL-UHFFFAOYSA-N 0 0 297.398 4.816 10 0 CJAERN CCCCCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1 ZINC000007610351 170293842 /nfs/dbraw/zinc/29/38/42/170293842.db2.gz QJPJQORXNCZSDP-UHFFFAOYSA-N 0 0 297.398 4.816 10 0 CJAERN CC(C)(C)OC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000007610490 170293516 /nfs/dbraw/zinc/29/35/16/170293516.db2.gz XTWYZTTXTSAAJW-UHFFFAOYSA-N 0 0 285.343 4.826 10 0 CJAERN CC(C)(C)OC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000007610501 170293669 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Cc1ccccc1NC(=O)c1cccc(-c2cccs2)c1 ZINC000008511112 170338443 /nfs/dbraw/zinc/33/84/43/170338443.db2.gz ROGFKJTUYNPRNH-UHFFFAOYSA-N 0 0 293.391 4.976 10 0 CJAERN O=C(Nc1ccc(F)cc1)c1cccc(-c2cccs2)c1 ZINC000008512969 170338676 /nfs/dbraw/zinc/33/86/76/170338676.db2.gz HNNMUBOSEIJBJQ-UHFFFAOYSA-N 0 0 297.354 4.807 10 0 CJAERN Cc1ccc(NC(=O)c2cccc(-c3ccccc3)c2)cc1 ZINC000008550249 170339924 /nfs/dbraw/zinc/33/99/24/170339924.db2.gz HVXAZRZDQSVNKL-UHFFFAOYSA-N 0 0 287.362 4.914 10 0 CJAERN Cc1sc2[nH]cnc(=S)c2c1-c1ccc(C)cc1 ZINC000008550591 170339774 /nfs/dbraw/zinc/33/97/74/170339774.db2.gz FCOZVIYVNLXCNQ-UHFFFAOYSA-N 0 0 272.398 4.638 10 0 CJAERN Cc1sc2[nH]cnc(=S)c2c1-c1ccc(C)c(C)c1 ZINC000008550792 170339831 /nfs/dbraw/zinc/33/98/31/170339831.db2.gz IAFWEQAGTAYPMA-UHFFFAOYSA-N 0 0 286.425 4.946 10 0 CJAERN Cc1sc2ncnc(Cl)c2c1-c1ccc(C)c(C)c1 ZINC000008550793 170339821 /nfs/dbraw/zinc/33/98/21/170339821.db2.gz ZHIPZDJRUOYGEV-UHFFFAOYSA-N 0 0 288.803 4.937 10 0 CJAERN 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CCCCn1c2ccccc2nc1-c1ccccc1F ZINC000008787464 170355905 /nfs/dbraw/zinc/35/59/05/170355905.db2.gz MJRPPWLJMSRNMV-UHFFFAOYSA-N 0 0 268.335 4.643 10 0 CJAERN CC(C)CCn1c2ccccc2nc1-c1ccccc1F ZINC000008787465 170355915 /nfs/dbraw/zinc/35/59/15/170355915.db2.gz ZLZXCIFCOKQIEF-UHFFFAOYSA-N 0 0 282.362 4.889 10 0 CJAERN CC(C)(C)c1ccc2oc(-c3ccccc3)nc2c1 ZINC000008907900 170358464 /nfs/dbraw/zinc/35/84/64/170358464.db2.gz RVCGKANWCIQJCJ-UHFFFAOYSA-N 0 0 251.329 4.792 10 0 CJAERN CCCC(=O)Nc1ccc2nc(-c3cccc(C)c3)oc2c1 ZINC000008908600 170358526 /nfs/dbraw/zinc/35/85/26/170358526.db2.gz YOOJGLKNAXZHOE-UHFFFAOYSA-N 0 0 294.354 4.542 10 0 CJAERN CC(C)c1cccc2sc(NC(=O)c3ccccc3)nc21 ZINC000008967524 170359813 /nfs/dbraw/zinc/35/98/13/170359813.db2.gz YYEDELINBIHROS-UHFFFAOYSA-N 0 0 296.395 4.672 10 0 CJAERN CCCCC(=O)Nc1nc2c(cccc2C(C)C)s1 ZINC000008967605 170359943 /nfs/dbraw/zinc/35/99/43/170359943.db2.gz KRUBAPGBPDVQEF-UHFFFAOYSA-N 0 0 276.405 4.548 10 0 CJAERN Cc1ccc(SCC(=O)c2cc3ccccc3o2)cc1 ZINC000009165828 170365161 /nfs/dbraw/zinc/36/51/61/170365161.db2.gz PCGVDNVBFFGGKV-UHFFFAOYSA-N 0 0 282.364 4.716 10 0 CJAERN CC[C@@H](C)Oc1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000009207564 170366603 /nfs/dbraw/zinc/36/66/03/170366603.db2.gz UKIICXWFTXAIOA-AAWPKVBNSA-N 0 0 295.382 4.516 10 0 CJAERN CC[C@H](C)Oc1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000009207565 170366451 /nfs/dbraw/zinc/36/64/51/170366451.db2.gz UKIICXWFTXAIOA-HNRFISLBSA-N 0 0 295.382 4.516 10 0 CJAERN COc1ccc(C(=O)C2CCCCC2)c2ccccc12 ZINC000009237898 170367882 /nfs/dbraw/zinc/36/78/82/170367882.db2.gz SBOLMGGXFQLUMR-UHFFFAOYSA-N 0 0 268.356 4.611 10 0 CJAERN CC(=O)c1cc(C)n(Cc2ccc(Cl)cc2Cl)c1C ZINC000009246056 170368232 /nfs/dbraw/zinc/36/82/32/170368232.db2.gz SJLISTWVURQMCZ-UHFFFAOYSA-N 0 0 296.197 4.663 10 0 CJAERN CC(=O)c1cc(C)n(Cc2ccc(Cl)c(Cl)c2)c1C ZINC000009246057 170368233 /nfs/dbraw/zinc/36/82/33/170368233.db2.gz ZYSCJHJXVIUREH-UHFFFAOYSA-N 0 0 296.197 4.663 10 0 CJAERN CC[C@H](C)Oc1cccc(NC(=O)/C=C/c2ccccc2)c1 ZINC000009269909 170369715 /nfs/dbraw/zinc/36/97/15/170369715.db2.gz IUKAEFMHGAEWFO-LHNRBYRGSA-N 0 0 295.382 4.516 10 0 CJAERN Cc1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@H](c1ccccc1)N2 ZINC000009280361 170370088 /nfs/dbraw/zinc/37/00/88/170370088.db2.gz KMWMLXYKAILFAQ-ZYSHUDEJSA-N 0 0 279.383 4.630 10 0 CJAERN Cc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccccc1)N2 ZINC000009280363 170370221 /nfs/dbraw/zinc/37/02/21/170370221.db2.gz KMWMLXYKAILFAQ-AYOQOUSVSA-N 0 0 279.383 4.630 10 0 CJAERN Cc1ccc([C@@H]2Nc3ccccc3[C@H]3OCCC[C@@H]23)cc1 ZINC000009280373 170370220 /nfs/dbraw/zinc/37/02/20/170370220.db2.gz QDWHNURXZJKJLR-YTQUADARSA-N 0 0 279.383 4.630 10 0 CJAERN Cc1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3OCCC[C@H]23)cc1 ZINC000009280381 170370267 /nfs/dbraw/zinc/37/02/67/170370267.db2.gz ZFDAZKKJIKMZAY-MNEFBYGVSA-N 0 0 297.373 4.769 10 0 CJAERN Cc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3OCC[C@H]32)cc1 ZINC000009280417 170370129 /nfs/dbraw/zinc/37/01/29/170370129.db2.gz TZJMLAKJKJLMCS-SNRMKQJTSA-N 0 0 279.383 4.548 10 0 CJAERN Cc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3OCC[C@@H]32)cc1 ZINC000009280419 170369995 /nfs/dbraw/zinc/36/99/95/170369995.db2.gz TZJMLAKJKJLMCS-MNEFBYGVSA-N 0 0 279.383 4.548 10 0 CJAERN Cc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCC[C@H]32)cc1 ZINC000009280421 170370128 /nfs/dbraw/zinc/37/01/28/170370128.db2.gz NOWNJKSVZONYGI-WBAXXEDZSA-N 0 0 299.801 4.893 10 0 CJAERN Cc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCC[C@@H]32)cc1 ZINC000009280423 170370233 /nfs/dbraw/zinc/37/02/33/170370233.db2.gz NOWNJKSVZONYGI-JLSDUUJJSA-N 0 0 299.801 4.893 10 0 CJAERN Cc1ccc([C@@H]2Nc3ccccc3[C@H]3OCCC[C@H]23)cc1 ZINC000009331010 170372293 /nfs/dbraw/zinc/37/22/93/170372293.db2.gz QDWHNURXZJKJLR-NZSAHSFTSA-N 0 0 279.383 4.630 10 0 CJAERN Cc1ccc(NC(=O)CCCSc2ccccc2)cc1 ZINC000009473358 170377917 /nfs/dbraw/zinc/37/79/17/170377917.db2.gz NFZBKRBOZZFZKI-UHFFFAOYSA-N 0 0 285.412 4.506 10 0 CJAERN Cc1ccc(SCCCC(=O)Nc2ccccc2)cc1 ZINC000009473909 170377935 /nfs/dbraw/zinc/37/79/35/170377935.db2.gz XSFQGTDXPLSQMU-UHFFFAOYSA-N 0 0 285.412 4.506 10 0 CJAERN Cc1ccc(NC(=O)CCCSc2ccc(C)cc2)cc1 ZINC000009473913 170378039 /nfs/dbraw/zinc/37/80/39/170378039.db2.gz KEDMVHKAELRWNM-UHFFFAOYSA-N 0 0 299.439 4.814 10 0 CJAERN Cc1cccc(C(=O)Nc2cccc(OCCC(C)C)c2)c1 ZINC000009783956 170385620 /nfs/dbraw/zinc/38/56/20/170385620.db2.gz OMWBWRGJWUCQBQ-UHFFFAOYSA-N 0 0 297.398 4.672 10 0 CJAERN Cc1ccc(C(=O)Nc2cccc(OCCC(C)C)c2)cc1 ZINC000009783973 170385737 /nfs/dbraw/zinc/38/57/37/170385737.db2.gz BMKDMNRCXFGKJP-UHFFFAOYSA-N 0 0 297.398 4.672 10 0 CJAERN CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1 ZINC000009866478 170387796 /nfs/dbraw/zinc/38/77/96/170387796.db2.gz QPTQMEWVOZRDEF-CABCVRRESA-N 0 0 297.398 4.606 10 0 CJAERN CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1 ZINC000009866492 170387998 /nfs/dbraw/zinc/38/79/98/170387998.db2.gz QPTQMEWVOZRDEF-HUUCEWRRSA-N 0 0 297.398 4.606 10 0 CJAERN CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1 ZINC000009866498 170387959 /nfs/dbraw/zinc/38/79/59/170387959.db2.gz QPTQMEWVOZRDEF-LSDHHAIUSA-N 0 0 297.398 4.606 10 0 CJAERN FC(F)(F)c1ccc2oc(-c3ccccc3)nc2c1 ZINC000009940844 170391296 /nfs/dbraw/zinc/39/12/96/170391296.db2.gz LYDUFIPAMKJQAI-UHFFFAOYSA-N 0 0 263.218 4.514 10 0 CJAERN CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000010287708 170402989 /nfs/dbraw/zinc/40/29/89/170402989.db2.gz YQUGPSHVIXBUTR-HNNXBMFYSA-N 0 0 297.398 4.733 10 0 CJAERN CC[C@H](C)Oc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000010288142 170402861 /nfs/dbraw/zinc/40/28/61/170402861.db2.gz KSXMAIBHVIPVHQ-HNNXBMFYSA-N 0 0 297.398 4.733 10 0 CJAERN CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 ZINC000010288155 170403196 /nfs/dbraw/zinc/40/31/96/170403196.db2.gz SYDKHBZVVWEBCE-OAHLLOKOSA-N 0 0 297.398 4.733 10 0 CJAERN CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(C)c2C)cc1 ZINC000010289180 170403157 /nfs/dbraw/zinc/40/31/57/170403157.db2.gz MWSNOIILXKVMQD-CQSZACIVSA-N 0 0 297.398 4.733 10 0 CJAERN CC[C@H](C)Oc1ccc(C(=O)Nc2cccc(C)c2C)cc1 ZINC000010289187 170403063 /nfs/dbraw/zinc/40/30/63/170403063.db2.gz MWSNOIILXKVMQD-AWEZNQCLSA-N 0 0 297.398 4.733 10 0 CJAERN O=C(CCc1cccc(F)c1)Nc1cccc2ccccc21 ZINC000010405290 170406168 /nfs/dbraw/zinc/40/61/68/170406168.db2.gz MBTNQDFDJPPKTA-UHFFFAOYSA-N 0 0 293.341 4.550 10 0 CJAERN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000010473528 170408035 /nfs/dbraw/zinc/40/80/35/170408035.db2.gz VZJDCQPQFPEFPQ-HNNXBMFYSA-N 0 0 297.398 4.733 10 0 CJAERN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(C)cc2C)c1 ZINC000010473530 170408028 /nfs/dbraw/zinc/40/80/28/170408028.db2.gz ANYQOZJIGPODCQ-HNNXBMFYSA-N 0 0 297.398 4.733 10 0 CJAERN CC[C@H](C)Oc1cccc(C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000010473566 170408029 /nfs/dbraw/zinc/40/80/29/170408029.db2.gz NDANWDHVHYBAGZ-HNNXBMFYSA-N 0 0 297.398 4.733 10 0 CJAERN Cc1ccc(Nc2nc(Cl)nc3ccccc32)c(C)c1 ZINC000011756202 170439016 /nfs/dbraw/zinc/43/90/16/170439016.db2.gz YLSADFODZIIARV-UHFFFAOYSA-N 0 0 283.762 4.644 10 0 CJAERN Cc1ccc(Nc2nc(Cl)nc3ccccc32)cc1C ZINC000011756204 170439242 /nfs/dbraw/zinc/43/92/42/170439242.db2.gz ZTWLHBLWCJVNDG-UHFFFAOYSA-N 0 0 283.762 4.644 10 0 CJAERN Clc1nc2ccccc2c(Nc2ccccc2Cl)n1 ZINC000011756224 170439213 /nfs/dbraw/zinc/43/92/13/170439213.db2.gz BVPVBPQQLPCGRL-UHFFFAOYSA-N 0 0 290.153 4.680 10 0 CJAERN Cc1ccc(C)c(Nc2nc(Cl)nc3ccccc32)c1 ZINC000011756372 170439240 /nfs/dbraw/zinc/43/92/40/170439240.db2.gz LMUWMJHXOXLUKM-UHFFFAOYSA-N 0 0 283.762 4.644 10 0 CJAERN Clc1ccc(Cl)c2c(Cl)c3c(nc12)CCC3 ZINC000011763967 170440057 /nfs/dbraw/zinc/44/00/57/170440057.db2.gz OQMZQNBAFMNBRU-UHFFFAOYSA-N 0 0 272.562 4.684 10 0 CJAERN Clc1ccc2c(Cl)c3c(nc2c1Cl)CCC3 ZINC000011763976 170440146 /nfs/dbraw/zinc/44/01/46/170440146.db2.gz SRUVWBMQLZVMPZ-UHFFFAOYSA-N 0 0 272.562 4.684 10 0 CJAERN Cc1ccc(C(C)C)c(Oc2ccc(C=O)cc2)c1 ZINC000011803660 170442733 /nfs/dbraw/zinc/44/27/33/170442733.db2.gz WIZCEXMJHZRLPR-UHFFFAOYSA-N 0 0 254.329 4.723 10 0 CJAERN Cc1cc(Oc2ccc(C=O)cc2)cc(C)c1Cl ZINC000011891802 170455145 /nfs/dbraw/zinc/45/51/45/170455145.db2.gz DEJHIVTZORDHLK-UHFFFAOYSA-N 0 0 260.720 4.562 10 0 CJAERN CCC(C)(C)c1ccc(Oc2ccc(C=O)cc2)cc1 ZINC000011895387 170456604 /nfs/dbraw/zinc/45/66/04/170456604.db2.gz AMQJPLNXBBKTGF-UHFFFAOYSA-N 0 0 268.356 4.979 10 0 CJAERN CC(C)(C)c1ccccc1Oc1ccc(C=O)cc1 ZINC000011993413 170465433 /nfs/dbraw/zinc/46/54/33/170465433.db2.gz IRIKBWZWVBTTFH-UHFFFAOYSA-N 0 0 254.329 4.589 10 0 CJAERN CCCN(CCC)C(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000012027777 170467475 /nfs/dbraw/zinc/46/74/75/170467475.db2.gz SXVQYJXXAXCILV-MRXNPFEDSA-N 0 0 289.463 4.637 10 0 CJAERN Clc1ccc(Nc2ccc(N3CCCC3)cc2)cc1 ZINC000012251130 570301475 /nfs/dbraw/zinc/30/14/75/570301475.db2.gz PJNVIUDOQONLQS-UHFFFAOYSA-N 0 0 272.779 4.684 10 0 CJAERN Oc1ccc(C(c2ccc(O)cc2)C2CCCCC2)cc1 ZINC000012353771 170478558 /nfs/dbraw/zinc/47/85/58/170478558.db2.gz YZYGDZRBLOLVDY-UHFFFAOYSA-N 0 0 282.383 4.810 10 0 CJAERN Oc1ccc(SC(F)(F)F)cc1SC(F)(F)F ZINC000012505230 567863702 /nfs/dbraw/zinc/86/37/02/567863702.db2.gz NXKYFYVOGSFZQZ-UHFFFAOYSA-N 0 0 294.241 4.616 10 0 CJAERN Cc1ccc2c(c1C)CCc1cc(C(C)C)c(O)cc1-2 ZINC000013301020 290879398 /nfs/dbraw/zinc/87/93/98/290879398.db2.gz DZXJOGOEZWVRTO-UHFFFAOYSA-N 0 0 266.384 4.898 10 0 biogenic,in-vitro CJAERN CCc1cc(-c2cc3ccc(O)cc3s2)ccc1O ZINC000013472833 170553290 /nfs/dbraw/zinc/55/32/90/170553290.db2.gz ARGUEPADMHUSFC-UHFFFAOYSA-N 0 0 270.353 4.542 10 0 CJAERN CCCc1cc(-c2cc3ccc(O)cc3s2)ccc1O ZINC000013472834 170553329 /nfs/dbraw/zinc/55/33/29/170553329.db2.gz DAYMYZZIEYQKPM-UHFFFAOYSA-N 0 0 284.380 4.932 10 0 CJAERN Oc1ccc(C(=Cc2ccccc2)c2ccc(O)cc2)cc1 ZINC000013492380 170556220 /nfs/dbraw/zinc/55/62/20/170556220.db2.gz CKNFKDYCAQZYBQ-UHFFFAOYSA-N 0 0 288.346 4.687 10 0 in-vivo CJAERN CCCCc1c2nccnc2[nH]c1-c1ccc(Cl)cc1 ZINC000013492971 170556297 /nfs/dbraw/zinc/55/62/97/170556297.db2.gz GKGBCENYMVXALT-UHFFFAOYSA-N 0 0 285.778 4.621 10 0 CJAERN CCc1ccc2cc(OC(=O)NC3CCCCC3)ccc2c1 ZINC000013520701 170557739 /nfs/dbraw/zinc/55/77/39/170557739.db2.gz UIXGBFPEEHLFJO-UHFFFAOYSA-N 0 0 297.398 4.823 10 0 CJAERN CCC1=C(c2ccc(O)cc2)[C@@H](CC)c2cc(O)ccc21 ZINC000013555421 581093251 /nfs/dbraw/zinc/09/32/51/581093251.db2.gz UITYJROEGAFMRK-INIZCTEOSA-N 0 0 280.367 4.926 10 0 CJAERN CCC1=C(c2ccc(O)cc2)[C@H](CC)c2cc(O)ccc21 ZINC000013555427 581093284 /nfs/dbraw/zinc/09/32/84/581093284.db2.gz UITYJROEGAFMRK-MRXNPFEDSA-N 0 0 280.367 4.926 10 0 CJAERN Cc1onc(-c2ccc(Cl)o2)c1-c1ccccc1 ZINC000013583263 170565707 /nfs/dbraw/zinc/56/57/07/170565707.db2.gz IPAVFMUBTIUYBW-UHFFFAOYSA-N 0 0 259.692 4.563 10 0 CJAERN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2(F)F ZINC000013584033 170565582 /nfs/dbraw/zinc/56/55/82/170565582.db2.gz QJWYWAZTIVNCLJ-NCOADZHNSA-N 0 0 292.369 4.884 10 0 CJAERN CCc1oc2ccccc2c1C(=O)c1cc(C)c(O)c(C)c1 ZINC000013586708 581091812 /nfs/dbraw/zinc/09/18/12/581091812.db2.gz QDFXYZHYSUTYPW-UHFFFAOYSA-N 0 0 294.350 4.549 10 0 CJAERN Brc1ccc2c(c1)Cc1ccccc1S2 ZINC000013606090 170568766 /nfs/dbraw/zinc/56/87/66/170568766.db2.gz YYNRXAVNKLETAN-UHFFFAOYSA-N 0 0 277.186 4.505 10 0 CJAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C=CCC[C@@]43C)[C@@H]1CCC2=O ZINC000013674168 571704473 /nfs/dbraw/zinc/70/44/73/571704473.db2.gz RJWNCDOWHNLVPF-HKQXQEGQSA-N 0 0 272.432 4.764 10 0 endogenous,in-man CJAERN COc1ccc2cc(-c3cccnc3)ccc2c1Cl ZINC000013674461 170575671 /nfs/dbraw/zinc/57/56/71/170575671.db2.gz BMTHOHYTXCPKJC-UHFFFAOYSA-N 0 0 269.731 4.564 10 0 in-vivo CJAERN COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1 ZINC000013674470 170575972 /nfs/dbraw/zinc/57/59/72/170575972.db2.gz KRLGQBXIHBDUPS-UHFFFAOYSA-N 0 0 269.731 4.564 10 0 in-vivo CJAERN CCCN(CCC)C(=S)Nc1cccc2ccccc21 ZINC000013824034 170599932 /nfs/dbraw/zinc/59/99/32/170599932.db2.gz UCWANDIROBBOKY-UHFFFAOYSA-N 0 0 286.444 4.659 10 0 CJAERN CC(C)c1ccc(NC(=S)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000013826702 170601097 /nfs/dbraw/zinc/60/10/97/170601097.db2.gz ZWVQMFOCJCMYFM-ZIAGYGMSSA-N 0 0 290.476 4.770 10 0 CJAERN Cc1ccc(NC(=S)N2[C@H](C)CCC[C@H]2C)cc1Cl ZINC000013826790 170601285 /nfs/dbraw/zinc/60/12/85/170601285.db2.gz SGGRADDFIFHGHG-VXGBXAGGSA-N 0 0 296.867 4.608 10 0 CJAERN Cc1ccc(Cl)cc1NC(=S)N1[C@H](C)CCC[C@@H]1C ZINC000013826802 170601215 /nfs/dbraw/zinc/60/12/15/170601215.db2.gz ZCQNWTZKCMJAAY-TXEJJXNPSA-N 0 0 296.867 4.608 10 0 CJAERN C[C@@H]1C[C@H](C)CN(C(=S)Nc2cccc3ccccc32)C1 ZINC000013827411 170601448 /nfs/dbraw/zinc/60/14/48/170601448.db2.gz WIWJDZFJAZAEBO-OKILXGFUSA-N 0 0 298.455 4.515 10 0 CJAERN CC[C@H]1CCCCN1C(=S)Nc1ccc(C(C)C)cc1 ZINC000013829269 170602040 /nfs/dbraw/zinc/60/20/40/170602040.db2.gz HFZRZVVTSWAILW-INIZCTEOSA-N 0 0 290.476 4.771 10 0 CJAERN CC[C@@H]1CCCCN1C(=S)Nc1cccc(Cl)c1C ZINC000013829317 170602151 /nfs/dbraw/zinc/60/21/51/170602151.db2.gz MHFMINOLHXTDCJ-GFCCVEGCSA-N 0 0 296.867 4.610 10 0 CJAERN CC[C@H]1CCCCN1C(=S)Nc1cccc(Cl)c1C ZINC000013829318 170601916 /nfs/dbraw/zinc/60/19/16/170601916.db2.gz MHFMINOLHXTDCJ-LBPRGKRZSA-N 0 0 296.867 4.610 10 0 CJAERN CC[C@H]1CCCCN1C(=S)Nc1ccc(C)c(Cl)c1 ZINC000013829322 170602149 /nfs/dbraw/zinc/60/21/49/170602149.db2.gz FZWHOTDZYFKPBR-ZDUSSCGKSA-N 0 0 296.867 4.610 10 0 CJAERN c1c(-c2ccccc2)c2n(c1-c1ccccc1)CCC2 ZINC000013835361 581092305 /nfs/dbraw/zinc/09/23/05/581092305.db2.gz ACTKECOOJAVUPF-UHFFFAOYSA-N 0 0 259.352 4.768 10 0 CJAERN c1ccc(-c2[nH]c(-c3ccccc3)c3c2CCC3)cc1 ZINC000013835378 581092438 /nfs/dbraw/zinc/09/24/38/581092438.db2.gz QYSGPZTTXAXARH-UHFFFAOYSA-N 0 0 259.352 4.837 10 0 CJAERN CC(C)(C)CCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000013864684 170605729 /nfs/dbraw/zinc/60/57/29/170605729.db2.gz KKIJCHVXXASCHI-UHFFFAOYSA-N 0 0 281.399 4.520 10 0 CJAERN Cc1cc(-c2csc3[nH]cnc(=S)c23)cc(C)c1C ZINC000013865391 170605624 /nfs/dbraw/zinc/60/56/24/170605624.db2.gz LKZRLZONIYTSGI-UHFFFAOYSA-N 0 0 286.425 4.946 10 0 CJAERN CC(C)c1ccc(/C=C/C(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000013965493 170613447 /nfs/dbraw/zinc/61/34/47/170613447.db2.gz OIMNCKFUOMKSIM-NCSKNINKSA-N 0 0 285.431 4.613 10 0 CJAERN Cc1cccc(OC(=O)c2ccc(C(C)(C)C)cc2)c1C ZINC000013988115 170613790 /nfs/dbraw/zinc/61/37/90/170613790.db2.gz RCXXWEFUOSMWSK-UHFFFAOYSA-N 0 0 282.383 4.820 10 0 CJAERN O=C(Nc1ccc(Cl)c(Cl)c1)OCc1ccccc1 ZINC000014000744 170615161 /nfs/dbraw/zinc/61/51/61/170615161.db2.gz SUQDJQGGXAPHRN-UHFFFAOYSA-N 0 0 296.153 4.742 10 0 CJAERN O=C(Nc1cc(Cl)cc(Cl)c1)OCc1ccccc1 ZINC000014000747 170615358 /nfs/dbraw/zinc/61/53/58/170615358.db2.gz RCPAARQTCGYDQZ-UHFFFAOYSA-N 0 0 296.153 4.742 10 0 CJAERN C[C@@]12C=CC[C@H]1[C@@H]1CC[C@@H]3CC(=O)CC[C@]3(C)[C@H]1CC2 ZINC000014421713 571705809 /nfs/dbraw/zinc/70/58/09/571705809.db2.gz HFVMLYAGWXSTQI-PFFQMSPKSA-N 0 0 272.432 4.764 10 0 endogenous,in-man CJAERN COc1ccc2c(nc3occc3c2OC)c1CC=C(C)C ZINC000014488588 560221775 /nfs/dbraw/zinc/22/17/75/560221775.db2.gz AKRYHRBWHIDIRA-UHFFFAOYSA-N 0 0 297.354 4.507 10 0 biogenic,in-vitro CJAERN CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(O)CCC[C@]21C ZINC000014614507 567930956 /nfs/dbraw/zinc/93/09/56/567930956.db2.gz SOJWLJKPIIODOH-OTWHNJEPSA-N 0 0 272.432 4.565 10 0 CJAERN Cc1cc(C)c(NC(=O)C2(c3ccccc3)CC2)c(Cl)c1 ZINC000014668693 170641904 /nfs/dbraw/zinc/64/19/04/170641904.db2.gz MVSNIUYAUCPIGB-UHFFFAOYSA-N 0 0 299.801 4.627 10 0 CJAERN CC(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21 ZINC000014717291 170643458 /nfs/dbraw/zinc/64/34/58/170643458.db2.gz WOJBBIJJRKFKOJ-UHFFFAOYSA-N 0 0 260.340 4.801 10 0 CJAERN Cc1ccc(C(C)C)c(OC(=O)c2ccccc2C)c1 ZINC000014776849 170644802 /nfs/dbraw/zinc/64/48/02/170644802.db2.gz XWBYHUQIEJHXRN-UHFFFAOYSA-N 0 0 268.356 4.646 10 0 CJAERN Cc1cc(C(C)(C)C)ccc1OC(=O)/C=C/c1ccccc1 ZINC000014776963 170644828 /nfs/dbraw/zinc/64/48/28/170644828.db2.gz FMSRGBCZYBMMQI-JLHYYAGUSA-N 0 0 294.394 4.911 10 0 CJAERN Cc1cccc(OC(=O)c2ccc(OCC(C)C)cc2)c1C ZINC000014779470 170645331 /nfs/dbraw/zinc/64/53/31/170645331.db2.gz GQDNEIMKCHPKSO-UHFFFAOYSA-N 0 0 298.382 4.557 10 0 CJAERN Cc1c(Cl)cc(OC(=O)c2ccccc2F)cc1Cl ZINC000014780121 170645211 /nfs/dbraw/zinc/64/52/11/170645211.db2.gz TZQOUMKYHQYGCJ-UHFFFAOYSA-N 0 0 299.128 4.660 10 0 CJAERN CC(C)(C)OC(=O)Nc1ccccc1OCc1ccccc1 ZINC000014784215 170645186 /nfs/dbraw/zinc/64/51/86/170645186.db2.gz VZRXODLJQGXZHY-UHFFFAOYSA-N 0 0 299.370 4.613 10 0 CJAERN CCC(CC)C(=O)OC/C=C(/C)CCC=C(C)C ZINC000015120478 574413793 /nfs/dbraw/zinc/41/37/93/574413793.db2.gz PFVYLGTZGQUUOT-KAMYIIQDSA-N 0 0 252.398 4.659 10 0 endogenous,in-man CJAERN CS[C@@H](C(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000015781366 170677318 /nfs/dbraw/zinc/67/73/18/170677318.db2.gz KIIWBIPIOCRAIM-QGZVFWFLSA-N 0 0 282.364 4.720 10 0 CJAERN Cc1ccc(C)c(C(=O)CSc2ccc(Cl)cc2)c1 ZINC000016284684 170692778 /nfs/dbraw/zinc/69/27/78/170692778.db2.gz RLZYWEQMEUWFQC-UHFFFAOYSA-N 0 0 290.815 4.932 10 0 CJAERN CC(C)(C)c1ccc(C(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000016711962 170710372 /nfs/dbraw/zinc/71/03/72/170710372.db2.gz XWTHJGDROLMUHB-MSOLQXFVSA-N 0 0 278.395 4.971 10 0 CJAERN O=C(c1ccc(Cl)c(Cl)c1)[C@H]1C[C@H]1c1ccccc1 ZINC000016771548 170711963 /nfs/dbraw/zinc/71/19/63/170711963.db2.gz VJVMLRFZQUXQSL-STQMWFEESA-N 0 0 291.177 4.980 10 0 CJAERN O=C(c1ccc2c(c1)CCCC2)[C@@H]1C[C@@H]1c1ccccc1 ZINC000016771556 170711894 /nfs/dbraw/zinc/71/18/94/170711894.db2.gz ZSDPSPJQBWFNDM-RTBURBONSA-N 0 0 276.379 4.552 10 0 CJAERN Cc1ccc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000018174651 170745297 /nfs/dbraw/zinc/74/52/97/170745297.db2.gz ZJWKICJBGORXSH-LBPRGKRZSA-N 0 0 288.778 4.531 10 0 CJAERN Cc1cccc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000018174657 170745366 /nfs/dbraw/zinc/74/53/66/170745366.db2.gz CIASCNPCCLNNQA-LBPRGKRZSA-N 0 0 288.778 4.531 10 0 CJAERN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000018174690 170745171 /nfs/dbraw/zinc/74/51/71/170745171.db2.gz JSHABJMACUBBFQ-LBPRGKRZSA-N 0 0 288.778 4.531 10 0 CJAERN Cc1cccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000018174695 170745158 /nfs/dbraw/zinc/74/51/58/170745158.db2.gz OXXGTRPLAXAVIF-GFCCVEGCSA-N 0 0 288.778 4.531 10 0 CJAERN Cc1ccccc1CNc1ccccc1C(F)(F)F ZINC000019230646 170756565 /nfs/dbraw/zinc/75/65/65/170756565.db2.gz SFZLEDYBAURDDK-UHFFFAOYSA-N 0 0 265.278 4.626 10 0 CJAERN CC(C)CC[C@H](C)Nc1ccc(Br)cc1F ZINC000019230696 170756490 /nfs/dbraw/zinc/75/64/90/170756490.db2.gz UFZWQMHVPBIYTM-JTQLQIEISA-N 0 0 288.204 4.825 10 0 CJAERN Cc1cc(Cl)ccc1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000019230722 170756436 /nfs/dbraw/zinc/75/64/36/170756436.db2.gz CCAJYGANLUSMGS-YGRLFVJLSA-N 0 0 275.779 4.977 10 0 CJAERN Cc1cc(Cl)ccc1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000019230724 170756196 /nfs/dbraw/zinc/75/61/96/170756196.db2.gz CCAJYGANLUSMGS-QMTHXVAHSA-N 0 0 275.779 4.977 10 0 CJAERN Cc1cc(C)c(CNc2cccc(C)c2C)c(C)c1 ZINC000019231023 170756363 /nfs/dbraw/zinc/75/63/63/170756363.db2.gz PZTKSACUIMRGIQ-UHFFFAOYSA-N 0 0 253.389 4.841 10 0 CJAERN Cc1nc(-c2ccc(NCCc3ccccc3)cc2)cs1 ZINC000019231331 170756824 /nfs/dbraw/zinc/75/68/24/170756824.db2.gz AHJKUZQWXHIFHG-UHFFFAOYSA-N 0 0 294.423 4.773 10 0 CJAERN CCOc1ccc([C@@H](C)Nc2ccc(CC)cc2)cc1 ZINC000019231573 170757218 /nfs/dbraw/zinc/75/72/18/170757218.db2.gz WULQJOOTBKSQDY-CQSZACIVSA-N 0 0 269.388 4.821 10 0 CJAERN C[C@H](Nc1cc(Cl)c(Cl)cc1Cl)C1CC1 ZINC000019231661 170757147 /nfs/dbraw/zinc/75/71/47/170757147.db2.gz PLLHTKUPEJOYMP-LURJTMIESA-N 0 0 264.583 4.857 10 0 CJAERN CC[C@@H](C)[C@H](C)Nc1cc(C)c(Cl)cc1OC ZINC000019231698 170756959 /nfs/dbraw/zinc/75/69/59/170756959.db2.gz XHVOKAKCZDLZIQ-KOLCDFICSA-N 0 0 255.789 4.504 10 0 CJAERN CC(C)[C@H](C)Nc1cc(C(F)(F)F)ccc1Cl ZINC000019232265 170757455 /nfs/dbraw/zinc/75/74/55/170757455.db2.gz VFDIURIQCQKJLC-QMMMGPOBSA-N 0 0 265.706 4.815 10 0 CJAERN CC[C@@H](Nc1cc(F)ccc1F)c1ccc(OC)cc1 ZINC000019232442 170757508 /nfs/dbraw/zinc/75/75/08/170757508.db2.gz PJIWNYILZWLNLB-OAHLLOKOSA-N 0 0 277.314 4.537 10 0 CJAERN CCCCc1ccc(NCc2ccc(C)cc2)cc1 ZINC000019232485 570408055 /nfs/dbraw/zinc/40/80/55/570408055.db2.gz GCRHUZFFIDPEEJ-UHFFFAOYSA-N 0 0 253.389 4.950 10 0 CJAERN CCc1ccc([C@@H](C)Nc2cccc3cccnc32)cc1 ZINC000019232488 170757674 /nfs/dbraw/zinc/75/76/74/170757674.db2.gz IBVXGOUCFWCVJG-CQSZACIVSA-N 0 0 276.383 4.970 10 0 CJAERN CCc1ccc([C@H](C)Nc2cccc3cccnc32)cc1 ZINC000019232489 170757532 /nfs/dbraw/zinc/75/75/32/170757532.db2.gz IBVXGOUCFWCVJG-AWEZNQCLSA-N 0 0 276.383 4.970 10 0 CJAERN CC[C@@H](Nc1ccc(F)c(F)c1F)c1ccc(F)cc1 ZINC000019232490 170757580 /nfs/dbraw/zinc/75/75/80/170757580.db2.gz XTTCLTNITMRRFI-GFCCVEGCSA-N 0 0 283.268 4.806 10 0 CJAERN CCc1ccc(CNc2cc(Cl)ccc2C)s1 ZINC000019232729 170757834 /nfs/dbraw/zinc/75/78/34/170757834.db2.gz AJDPUFUYTSMNIC-UHFFFAOYSA-N 0 0 265.809 4.884 10 0 CJAERN CCc1ccccc1NCc1ccc(C(C)C)cc1 ZINC000019232911 529601029 /nfs/dbraw/zinc/60/10/29/529601029.db2.gz XMDQWWHEWWPMGJ-UHFFFAOYSA-N 0 0 253.389 4.985 10 0 CJAERN C[C@@H]1C[C@H]1c1ccc(CNc2ccc(Cl)cc2)o1 ZINC000019233331 170758338 /nfs/dbraw/zinc/75/83/38/170758338.db2.gz XEIJZELKHOFXQA-QMTHXVAHSA-N 0 0 261.752 4.669 10 0 CJAERN Nc1cccc(COc2ccccc2-c2ccccc2)c1 ZINC000019281466 170771932 /nfs/dbraw/zinc/77/19/32/170771932.db2.gz ZCEQDDCXFOUPSU-UHFFFAOYSA-N 0 0 275.351 4.515 10 0 CJAERN CC1CCC(Nc2ccc(Cl)cc2Cl)CC1 ZINC000019772226 170857570 /nfs/dbraw/zinc/85/75/70/170857570.db2.gz QSRADCDIKVEZEG-UHFFFAOYSA-N 0 0 258.192 4.984 10 0 CJAERN Cc1cc(-c2nc3cc(Cl)ccc3s2)ccc1N ZINC000019815105 256777006 /nfs/dbraw/zinc/77/70/06/256777006.db2.gz IGXSRHDUHAYTEG-UHFFFAOYSA-N 0 0 274.776 4.507 10 0 CJAERN CCCOc1ccccc1Oc1ccc(N)cc1Cl ZINC000019845766 170894130 /nfs/dbraw/zinc/89/41/30/170894130.db2.gz DSEZELRMZRPBFT-UHFFFAOYSA-N 0 0 277.751 4.503 10 0 CJAERN CC(=O)c1c(F)cccc1Oc1ccccc1C(F)(F)F ZINC000019871402 170902005 /nfs/dbraw/zinc/90/20/05/170902005.db2.gz IAWNJMCJTJUIDP-UHFFFAOYSA-N 0 0 298.235 4.839 10 0 CJAERN Cc1ccc(Cl)cc1N[C@@H](C)c1cccc(O)c1 ZINC000019875308 170904517 /nfs/dbraw/zinc/90/45/17/170904517.db2.gz BHUSMCFEKJFZLM-NSHDSACASA-N 0 0 261.752 4.527 10 0 CJAERN Cc1ccc(Cl)cc1N[C@H]1CCOc2ccccc21 ZINC000019875324 170904897 /nfs/dbraw/zinc/90/48/97/170904897.db2.gz XFEAVLWXRVLCLG-AWEZNQCLSA-N 0 0 273.763 4.584 10 0 CJAERN Cc1cccc(N[C@H](C)c2cccc(Br)c2)c1 ZINC000019877094 170905659 /nfs/dbraw/zinc/90/56/59/170905659.db2.gz YRLGJGQQMNFWKF-GFCCVEGCSA-N 0 0 290.204 4.931 10 0 CJAERN Cc1cccc(N[C@H](c2ccco2)c2ccccc2)c1 ZINC000019877257 170906170 /nfs/dbraw/zinc/90/61/70/170906170.db2.gz SYNNWBHPJYTMJC-SFHVURJKSA-N 0 0 263.340 4.790 10 0 CJAERN Cc1cccc(N[C@@H](c2ccco2)c2ccccc2)c1 ZINC000019877259 170906103 /nfs/dbraw/zinc/90/61/03/170906103.db2.gz SYNNWBHPJYTMJC-GOSISDBHSA-N 0 0 263.340 4.790 10 0 CJAERN C[C@H](Nc1ccccc1)c1cccc(Br)c1 ZINC000019879294 170907580 /nfs/dbraw/zinc/90/75/80/170907580.db2.gz HNJODLQYNPKWRU-NSHDSACASA-N 0 0 276.177 4.622 10 0 CJAERN C[C@@H](Nc1ccccc1)c1ccccc1C(F)(F)F ZINC000019879333 170907718 /nfs/dbraw/zinc/90/77/18/170907718.db2.gz CIHJITUVSPZUTE-LLVKDONJSA-N 0 0 265.278 4.879 10 0 CJAERN C[C@H](Nc1ccccc1)c1ccccc1C(F)(F)F ZINC000019879335 170907459 /nfs/dbraw/zinc/90/74/59/170907459.db2.gz CIHJITUVSPZUTE-NSHDSACASA-N 0 0 265.278 4.879 10 0 CJAERN CCCOc1ccc([C@H](C)Nc2ccccc2)cc1 ZINC000019879532 170907572 /nfs/dbraw/zinc/90/75/72/170907572.db2.gz DAUGRHXJANEDCO-AWEZNQCLSA-N 0 0 255.361 4.649 10 0 CJAERN CC(C)Oc1ccc([C@@H](C)Nc2ccccc2)cc1 ZINC000019879534 170907552 /nfs/dbraw/zinc/90/75/52/170907552.db2.gz PCNDRHMZNGTLBH-CQSZACIVSA-N 0 0 255.361 4.647 10 0 CJAERN CC(C)Oc1ccc([C@H](C)Nc2ccccc2)cc1 ZINC000019879538 170907826 /nfs/dbraw/zinc/90/78/26/170907826.db2.gz PCNDRHMZNGTLBH-AWEZNQCLSA-N 0 0 255.361 4.647 10 0 CJAERN C[C@H](Nc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000019879674 170907821 /nfs/dbraw/zinc/90/78/21/170907821.db2.gz BDJXYTCMIYUJPJ-NSHDSACASA-N 0 0 265.278 4.879 10 0 CJAERN C[C@H](Nc1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000019884555 170909017 /nfs/dbraw/zinc/90/90/17/170909017.db2.gz OKDFNLFHTYVEIS-VIFPVBQESA-N 0 0 267.159 4.562 10 0 CJAERN FC(F)(F)c1ccc(Cl)c(NCc2ccco2)c1 ZINC000019885990 170910274 /nfs/dbraw/zinc/91/02/74/170910274.db2.gz LNXFFRXTOCVYSM-UHFFFAOYSA-N 0 0 275.657 4.564 10 0 CJAERN C[C@H](Nc1cc(Cl)ccc1Cl)c1ccncc1 ZINC000019900484 170912622 /nfs/dbraw/zinc/91/26/22/170912622.db2.gz HHTCARWFTVXSSH-VIFPVBQESA-N 0 0 267.159 4.562 10 0 CJAERN CSc1cccc(N[C@H](C)c2c(F)cccc2F)c1 ZINC000019900573 170912521 /nfs/dbraw/zinc/91/25/21/170912521.db2.gz WAQJPSJABRONBI-SNVBAGLBSA-N 0 0 279.355 4.860 10 0 CJAERN COc1cc([C@H](C)Nc2ccc(C)c(Cl)c2)ccc1O ZINC000019900749 170913065 /nfs/dbraw/zinc/91/30/65/170913065.db2.gz IQMQWESLUTWOPM-NSHDSACASA-N 0 0 291.778 4.536 10 0 CJAERN C[C@@H](Nc1cccc2ccccc21)c1ccc(O)cc1 ZINC000019900826 170913416 /nfs/dbraw/zinc/91/34/16/170913416.db2.gz NFXOWJUJIDNWOH-CYBMUJFWSA-N 0 0 263.340 4.719 10 0 CJAERN C[C@H](Nc1cccc2ccccc21)c1cccc(O)c1 ZINC000019900880 170913067 /nfs/dbraw/zinc/91/30/67/170913067.db2.gz HJCQDSGIUKDSEG-ZDUSSCGKSA-N 0 0 263.340 4.719 10 0 CJAERN Cc1ccsc1CNc1ccc(C)cc1Br ZINC000019901577 170913830 /nfs/dbraw/zinc/91/38/30/170913830.db2.gz BEXMJZVPXIXQHS-UHFFFAOYSA-N 0 0 296.233 4.740 10 0 CJAERN Oc1ccc(CNc2ccccc2-c2ccccc2)cc1 ZINC000019901694 170913673 /nfs/dbraw/zinc/91/36/73/170913673.db2.gz YUWFFBSTOGVMCD-UHFFFAOYSA-N 0 0 275.351 4.671 10 0 CJAERN C[C@@H](Nc1ccccc1-c1ccccc1)c1ccccn1 ZINC000019901705 170913905 /nfs/dbraw/zinc/91/39/05/170913905.db2.gz QPQFSILYIXSWDN-OAHLLOKOSA-N 0 0 274.367 4.922 10 0 CJAERN C[C@@H](Nc1ccccc1-c1ccccc1)c1cccnc1 ZINC000019901711 170913661 /nfs/dbraw/zinc/91/36/61/170913661.db2.gz MQWROFVGNGPDBK-OAHLLOKOSA-N 0 0 274.367 4.922 10 0 CJAERN C[C@@H](Nc1cccc2cccnc21)c1ccccc1F ZINC000019903676 170915754 /nfs/dbraw/zinc/91/57/54/170915754.db2.gz BTEAVUZCDBAKHI-GFCCVEGCSA-N 0 0 266.319 4.547 10 0 CJAERN CC[C@@H](Nc1cccc2cccnc21)c1ccc(O)cc1 ZINC000019903700 170915539 /nfs/dbraw/zinc/91/55/39/170915539.db2.gz PSSRBHDBYIFWQS-MRXNPFEDSA-N 0 0 278.355 4.504 10 0 CJAERN c1ccc2c(c1)SCC[C@@H]2Nc1cccc2cccnc21 ZINC000019903706 170915525 /nfs/dbraw/zinc/91/55/25/170915525.db2.gz MFOGCGVTAGPUEU-HNNXBMFYSA-N 0 0 292.407 4.884 10 0 CJAERN Cc1ccccc1[C@@H](C)Nc1cccc2cccnc21 ZINC000019903709 170915742 /nfs/dbraw/zinc/91/57/42/170915742.db2.gz JJZCWJBGUQMQHX-CQSZACIVSA-N 0 0 262.356 4.716 10 0 CJAERN C[C@H](Nc1cccc2cccnc21)c1cc(F)ccc1F ZINC000019903718 170915489 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CJAERN Clc1cc(Cl)cc(NCC2CCCCC2)c1 ZINC000020003684 170966692 /nfs/dbraw/zinc/96/66/92/170966692.db2.gz ZXLWBTLCSPEBBA-UHFFFAOYSA-N 0 0 258.192 4.986 10 0 CJAERN Fc1cccc(F)c1CNc1ccc(Cl)cc1Cl ZINC000020004094 170967021 /nfs/dbraw/zinc/96/70/21/170967021.db2.gz XIWMPBBVGCDUCG-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN COc1cc(Cl)c(C)cc1N[C@H](C)c1ccc(C)o1 ZINC000020004245 170967068 /nfs/dbraw/zinc/96/70/68/170967068.db2.gz BOFSBDZWUDMBLF-LLVKDONJSA-N 0 0 279.767 4.732 10 0 CJAERN COc1ccc(C)cc1N[C@@H](C)c1cc2ccccc2o1 ZINC000020005924 170967365 /nfs/dbraw/zinc/96/73/65/170967365.db2.gz CMMIQNFJWFVEBA-ZDUSSCGKSA-N 0 0 281.355 4.923 10 0 CJAERN CC(=O)c1ccc(Sc2ccc(C)cc2C)c(F)c1 ZINC000020006872 170967519 /nfs/dbraw/zinc/96/75/19/170967519.db2.gz ASBDEMLPGHQDFK-UHFFFAOYSA-N 0 0 274.360 4.796 10 0 CJAERN CC(=O)c1ccc(Oc2ccc(Cl)c(C)c2)c(F)c1 ZINC000020007312 170967581 /nfs/dbraw/zinc/96/75/81/170967581.db2.gz APHNDBJGHFATEE-UHFFFAOYSA-N 0 0 278.710 4.782 10 0 CJAERN C[C@H](CCc1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000020007548 170967600 /nfs/dbraw/zinc/96/76/00/170967600.db2.gz AKJCFPUXJSMYQI-OAHLLOKOSA-N 0 0 265.400 4.609 10 0 CJAERN Cc1ccc(Oc2ccccc2N)c(C(C)(C)C)c1 ZINC000020007560 170967780 /nfs/dbraw/zinc/96/77/80/170967780.db2.gz JOLMELMVPAFOAD-UHFFFAOYSA-N 0 0 255.361 4.667 10 0 CJAERN Cc1ccc(F)cc1N[C@H](C)c1ccc(F)cc1F ZINC000020007598 170967792 /nfs/dbraw/zinc/96/77/92/170967792.db2.gz VSXBOUPFOFHVOY-SNVBAGLBSA-N 0 0 265.278 4.585 10 0 CJAERN CC(C)c1ccc(CNc2cc(F)cc(F)c2)cc1 ZINC000020007930 184535355 /nfs/dbraw/zinc/53/53/55/184535355.db2.gz PDBOGUSKHUDPLO-UHFFFAOYSA-N 0 0 261.315 4.700 10 0 CJAERN CC(=O)c1c(F)cccc1Oc1ccc(Cl)cc1C ZINC000020008574 170968149 /nfs/dbraw/zinc/96/81/49/170968149.db2.gz LTECWGIRLOUFRR-UHFFFAOYSA-N 0 0 278.710 4.782 10 0 CJAERN CCOc1ccc([C@H](C)Nc2cc(F)ccc2F)cc1 ZINC000020009173 170967975 /nfs/dbraw/zinc/96/79/75/170967975.db2.gz ASBYCJFCKNRINF-NSHDSACASA-N 0 0 277.314 4.537 10 0 CJAERN CC(=O)c1ccc(Oc2ccc3ccccc3c2)c(F)c1 ZINC000020009218 170968028 /nfs/dbraw/zinc/96/80/28/170968028.db2.gz VXLYHQDFZLDWCN-UHFFFAOYSA-N 0 0 280.298 4.974 10 0 CJAERN COc1cc(Cl)c(C)cc1NC1CCC(C)CC1 ZINC000020009320 170967834 /nfs/dbraw/zinc/96/78/34/170967834.db2.gz MAQXBRONXHUBSH-UHFFFAOYSA-N 0 0 267.800 4.648 10 0 CJAERN C[C@@H]1C[C@H](Nc2cccc3ncccc32)CC(C)(C)C1 ZINC000020010114 170968556 /nfs/dbraw/zinc/96/85/56/170968556.db2.gz NLVWNDYNLGQXCR-KGLIPLIRSA-N 0 0 268.404 4.862 10 0 CJAERN CCCc1ccc([C@@H](C)Nc2ccc(OC)cc2)cc1 ZINC000020010949 170968863 /nfs/dbraw/zinc/96/88/63/170968863.db2.gz CSGOUDXZVQHSIY-CQSZACIVSA-N 0 0 269.388 4.821 10 0 CJAERN CCCc1ccc(NCc2ccc(SC)cc2)cc1 ZINC000020011059 170968723 /nfs/dbraw/zinc/96/87/23/170968723.db2.gz VWAJPFDBMCYVTP-UHFFFAOYSA-N 0 0 271.429 4.973 10 0 CJAERN CCc1ccccc1N[C@@H](CC)c1ccc(F)cc1 ZINC000020011066 170968754 /nfs/dbraw/zinc/96/87/54/170968754.db2.gz RQXGBIRPTLOJOK-INIZCTEOSA-N 0 0 257.352 4.951 10 0 CJAERN CCC[C@@H](C)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000020012401 170969219 /nfs/dbraw/zinc/96/92/19/170969219.db2.gz RWGZYASQPXACIY-MRVPVSSYSA-N 0 0 263.715 4.542 10 0 CJAERN FC(F)(F)c1ccc(N[C@H]2CCc3ccccc32)cc1 ZINC000020012588 170968986 /nfs/dbraw/zinc/96/89/86/170968986.db2.gz XTRBCEGXGMYRNR-HNNXBMFYSA-N 0 0 277.289 4.805 10 0 CJAERN Cc1cc(C)c(CNc2ccc(F)cc2C)c(C)c1 ZINC000020012726 170969084 /nfs/dbraw/zinc/96/90/84/170969084.db2.gz LSIXKSCFVIAONZ-UHFFFAOYSA-N 0 0 257.352 4.671 10 0 CJAERN CC[C@@H](Nc1cc(C)cc(C)c1)c1ccc(OC)cc1 ZINC000020013637 170969634 /nfs/dbraw/zinc/96/96/34/170969634.db2.gz DSHQDBZWORQYQS-GOSISDBHSA-N 0 0 269.388 4.875 10 0 CJAERN C[C@H](CCc1ccccc1)Nc1cccc2c1CCCC2 ZINC000020015412 170969812 /nfs/dbraw/zinc/96/98/12/170969812.db2.gz ZEOOKPYRDKXPDF-MRXNPFEDSA-N 0 0 279.427 4.999 10 0 CJAERN C[C@@H](Nc1cc(F)ccc1F)c1ccc(F)c(Cl)c1 ZINC000020015832 170969917 /nfs/dbraw/zinc/96/99/17/170969917.db2.gz UDDUUNBWTAKTPI-MRVPVSSYSA-N 0 0 285.696 4.930 10 0 CJAERN Cc1ccc(NC2[C@H](C)CCC[C@H]2C)c(Br)c1 ZINC000020016012 170969928 /nfs/dbraw/zinc/96/99/28/170969928.db2.gz MXOGSLUPQLTHNY-VXGBXAGGSA-N 0 0 296.252 4.994 10 0 CJAERN C[C@H](Nc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000020016527 170970398 /nfs/dbraw/zinc/97/03/98/170970398.db2.gz WBDKQDBMOQTYSG-ZDUSSCGKSA-N 0 0 253.345 4.689 10 0 CJAERN C[C@@H](Nc1cc(F)ccc1F)c1cc2ccccc2o1 ZINC000020017983 170970597 /nfs/dbraw/zinc/97/05/97/170970597.db2.gz RJPFAKWQQBSVBV-SNVBAGLBSA-N 0 0 273.282 4.884 10 0 CJAERN CCc1ccc(CNc2ccc(C)c(Cl)c2)s1 ZINC000020018024 170970623 /nfs/dbraw/zinc/97/06/23/170970623.db2.gz WFLKNGHBCQCYIP-UHFFFAOYSA-N 0 0 265.809 4.884 10 0 CJAERN Clc1ccccc1CNc1cccc2c1CCCC2 ZINC000020018203 170970468 /nfs/dbraw/zinc/97/04/68/170970468.db2.gz HIAQSWVKKASXFL-UHFFFAOYSA-N 0 0 271.791 4.831 10 0 CJAERN C[C@@H](Nc1cc(F)cc(F)c1)c1ccccc1Cl ZINC000020018786 170971320 /nfs/dbraw/zinc/97/13/20/170971320.db2.gz LIWIUFJUQGTGFR-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN Clc1ccc(N[C@@H]2CCOc3ccccc32)c(Cl)c1 ZINC000020019210 170971013 /nfs/dbraw/zinc/97/10/13/170971013.db2.gz OOESTILHQSUYLO-CYBMUJFWSA-N 0 0 294.181 4.929 10 0 CJAERN CC(=O)Nc1ccc(N[C@@H]2CCCC[C@H]2C(C)(C)C)cc1 ZINC000020022883 170972151 /nfs/dbraw/zinc/97/21/51/170972151.db2.gz UQRIKZHZUPUNFJ-IAGOWNOFSA-N 0 0 288.435 4.662 10 0 CJAERN CC(C)(C)c1ccc(CNc2cc(F)ccc2F)cc1 ZINC000020023162 170972040 /nfs/dbraw/zinc/97/20/40/170972040.db2.gz GPGTXUCSXFXWSX-UHFFFAOYSA-N 0 0 275.342 4.874 10 0 CJAERN Cc1c(Cl)cccc1N[C@@H]1CCc2ccccc21 ZINC000020023646 170972106 /nfs/dbraw/zinc/97/21/06/170972106.db2.gz BKAJMBZCIRFVFF-MRXNPFEDSA-N 0 0 257.764 4.748 10 0 CJAERN Cc1cc(N[C@H]2CCCC[C@@H]2C)ccc1Br ZINC000020024476 170972404 /nfs/dbraw/zinc/97/24/04/170972404.db2.gz SBVVZEVWTDLNRF-HZMBPMFUSA-N 0 0 282.225 4.748 10 0 CJAERN Cc1ccccc1NCc1cc(F)ccc1Br ZINC000020056215 170981418 /nfs/dbraw/zinc/98/14/18/170981418.db2.gz AERYJUCLSRMEOZ-UHFFFAOYSA-N 0 0 294.167 4.509 10 0 CJAERN Cc1ccc(CNc2ccc(C)cc2Br)s1 ZINC000020086811 170987923 /nfs/dbraw/zinc/98/79/23/170987923.db2.gz OWRPTMYYKFMMHO-UHFFFAOYSA-N 0 0 296.233 4.740 10 0 CJAERN Cc1nc([C@H](C)N[C@@H](C)c2cccc(Cl)c2)c(C)s1 ZINC000020124331 171006547 /nfs/dbraw/zinc/00/65/47/171006547.db2.gz RYYOPNMDLWYBHJ-UWVGGRQHSA-N 0 0 294.851 4.825 10 0 CJAERN Cc1nc([C@@H](C)N[C@@H](C)c2cccc(Cl)c2)c(C)s1 ZINC000020124333 171006755 /nfs/dbraw/zinc/00/67/55/171006755.db2.gz RYYOPNMDLWYBHJ-VHSXEESVSA-N 0 0 294.851 4.825 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc3[nH]ccc3c2)cc1 ZINC000020132422 171020776 /nfs/dbraw/zinc/02/07/76/171020776.db2.gz XZZLOQULQGMDKP-CYBMUJFWSA-N 0 0 250.345 4.649 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc3[nH]ccc3c2)cc1 ZINC000020132425 171020737 /nfs/dbraw/zinc/02/07/37/171020737.db2.gz XZZLOQULQGMDKP-ZDUSSCGKSA-N 0 0 250.345 4.649 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc3[nH]ccc3c2)s1 ZINC000020132790 171021418 /nfs/dbraw/zinc/02/14/18/171021418.db2.gz COYQSYSEZSGDAI-LLVKDONJSA-N 0 0 256.374 4.711 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc3[nH]ccc3c2)s1 ZINC000020132793 171021210 /nfs/dbraw/zinc/02/12/10/171021210.db2.gz COYQSYSEZSGDAI-NSHDSACASA-N 0 0 256.374 4.711 10 0 CJAERN CC[C@@H](Nc1ccc2[nH]ccc2c1)c1cccs1 ZINC000020132898 171021278 /nfs/dbraw/zinc/02/12/78/171021278.db2.gz KMPFQIPBKNGKJI-CYBMUJFWSA-N 0 0 256.374 4.793 10 0 CJAERN CC[C@H](Nc1ccc2[nH]ccc2c1)c1cccs1 ZINC000020132901 171021514 /nfs/dbraw/zinc/02/15/14/171021514.db2.gz KMPFQIPBKNGKJI-ZDUSSCGKSA-N 0 0 256.374 4.793 10 0 CJAERN CC(C)c1cccc(NCc2ccc(Br)o2)c1 ZINC000020136492 171023593 /nfs/dbraw/zinc/02/35/93/171023593.db2.gz NQMJTECEBXDQQW-UHFFFAOYSA-N 0 0 294.192 4.778 10 0 CJAERN CCCc1ccc(NCc2ccc(Br)o2)cc1 ZINC000020136663 171024044 /nfs/dbraw/zinc/02/40/44/171024044.db2.gz XOCJLOXGCIFPSY-UHFFFAOYSA-N 0 0 294.192 4.607 10 0 CJAERN c1ccc2c(c1)oc1ccc(NCc3ccncc3)cc12 ZINC000020143886 171028884 /nfs/dbraw/zinc/02/88/84/171028884.db2.gz PJDGYRHKSLRHIP-UHFFFAOYSA-N 0 0 274.323 4.593 10 0 CJAERN Cc1nc(-c2ccc(NCc3cccs3)cc2)cs1 ZINC000020147469 171034493 /nfs/dbraw/zinc/03/44/93/171034493.db2.gz UEWWWTSVGCRNJJ-UHFFFAOYSA-N 0 0 286.425 4.792 10 0 CJAERN CCc1cccc(C)c1Nc1ncnc2sc(C)c(C)c21 ZINC000020161879 171040440 /nfs/dbraw/zinc/04/04/40/171040440.db2.gz YXSZCPRFSVKCRV-UHFFFAOYSA-N 0 0 297.427 4.923 10 0 CJAERN CC[C@@H](Nc1cccc(O)c1)c1cccc(Cl)c1 ZINC000020193567 171059379 /nfs/dbraw/zinc/05/93/79/171059379.db2.gz WNFXSVMVJACVRZ-OAHLLOKOSA-N 0 0 261.752 4.609 10 0 CJAERN CC[C@H](Nc1cccc(O)c1)c1cccc(Cl)c1 ZINC000020193570 171059376 /nfs/dbraw/zinc/05/93/76/171059376.db2.gz WNFXSVMVJACVRZ-HNNXBMFYSA-N 0 0 261.752 4.609 10 0 CJAERN CC[C@@H](Nc1cccc(O)c1)c1ccc(Cl)cc1 ZINC000020193629 171059614 /nfs/dbraw/zinc/05/96/14/171059614.db2.gz DSCXVEUOMPPVEM-OAHLLOKOSA-N 0 0 261.752 4.609 10 0 CJAERN CC[C@H](Nc1cccc(O)c1)c1ccc(Cl)cc1 ZINC000020193632 171059456 /nfs/dbraw/zinc/05/94/56/171059456.db2.gz DSCXVEUOMPPVEM-HNNXBMFYSA-N 0 0 261.752 4.609 10 0 CJAERN O=C1O[C@@H]2CCCCCCCCCCCCC[C@H]12 ZINC000020231265 171094571 /nfs/dbraw/zinc/09/45/71/171094571.db2.gz CBDACFVQPFMYLZ-LSDHHAIUSA-N 0 0 252.398 4.613 10 0 CJAERN O=C1O[C@H]2CCCCCCCCCCCCC[C@H]12 ZINC000020231267 171094711 /nfs/dbraw/zinc/09/47/11/171094711.db2.gz CBDACFVQPFMYLZ-GJZGRUSLSA-N 0 0 252.398 4.613 10 0 CJAERN O=C1O[C@@H]2CCCCCCCCCCCCC[C@@H]12 ZINC000020231269 171094784 /nfs/dbraw/zinc/09/47/84/171094784.db2.gz CBDACFVQPFMYLZ-HUUCEWRRSA-N 0 0 252.398 4.613 10 0 CJAERN O=C1O[C@H]2CCCCCCCCCCCCC[C@@H]12 ZINC000020231271 171094742 /nfs/dbraw/zinc/09/47/42/171094742.db2.gz CBDACFVQPFMYLZ-CABCVRRESA-N 0 0 252.398 4.613 10 0 CJAERN Cc1sc2ncnc(-c3cccc4ncccc43)c2c1C ZINC000020234586 171095601 /nfs/dbraw/zinc/09/56/01/171095601.db2.gz OMQRZCLQRYJWPY-UHFFFAOYSA-N 0 0 291.379 4.523 10 0 CJAERN C[C@@H](Nc1cccc(Cl)c1Cl)c1ccccn1 ZINC000020245759 171099339 /nfs/dbraw/zinc/09/93/39/171099339.db2.gz AHUOMCJIZJLXSW-SECBINFHSA-N 0 0 267.159 4.562 10 0 CJAERN C[C@H](Nc1cccc(Cl)c1Cl)c1ccccn1 ZINC000020245761 171099287 /nfs/dbraw/zinc/09/92/87/171099287.db2.gz AHUOMCJIZJLXSW-VIFPVBQESA-N 0 0 267.159 4.562 10 0 CJAERN C[C@@H](Nc1cccc(Cl)c1Cl)c1ccncc1 ZINC000020245763 171099192 /nfs/dbraw/zinc/09/91/92/171099192.db2.gz BCWAYAOTBYCLJJ-SECBINFHSA-N 0 0 267.159 4.562 10 0 CJAERN C[C@H](Nc1cccc(Cl)c1Cl)c1ccncc1 ZINC000020245765 171099575 /nfs/dbraw/zinc/09/95/75/171099575.db2.gz BCWAYAOTBYCLJJ-VIFPVBQESA-N 0 0 267.159 4.562 10 0 CJAERN C[C@@H](Nc1cccc(Cl)c1Cl)c1cccnc1 ZINC000020245767 171099043 /nfs/dbraw/zinc/09/90/43/171099043.db2.gz XZYOJUNEUSTVBE-SECBINFHSA-N 0 0 267.159 4.562 10 0 CJAERN C[C@H](Nc1cccc(Cl)c1Cl)c1cccnc1 ZINC000020245769 171099618 /nfs/dbraw/zinc/09/96/18/171099618.db2.gz XZYOJUNEUSTVBE-VIFPVBQESA-N 0 0 267.159 4.562 10 0 CJAERN CSc1cccc(NCc2ccc3ccccc3n2)c1 ZINC000020246198 171098986 /nfs/dbraw/zinc/09/89/86/171098986.db2.gz SJBWTGGPLVZYSC-UHFFFAOYSA-N 0 0 280.396 4.569 10 0 CJAERN COc1ccc(NCc2ccc3ccccc3n2)cc1Cl ZINC000020246213 171099131 /nfs/dbraw/zinc/09/91/31/171099131.db2.gz VQAPBUPHXPYLGB-UHFFFAOYSA-N 0 0 298.773 4.509 10 0 CJAERN CSc1ccc(NCc2ccc3ccccc3n2)cc1 ZINC000020246226 171099167 /nfs/dbraw/zinc/09/91/67/171099167.db2.gz ZJOKMESVOXENJL-UHFFFAOYSA-N 0 0 280.396 4.569 10 0 CJAERN Clc1cccc(NCc2ccc3ccccc3n2)c1 ZINC000020246262 171099437 /nfs/dbraw/zinc/09/94/37/171099437.db2.gz VGEPAMQVZNRPCX-UHFFFAOYSA-N 0 0 268.747 4.500 10 0 CJAERN Clc1ccc(NCc2ccc3ccccc3n2)cc1 ZINC000020246266 171099386 /nfs/dbraw/zinc/09/93/86/171099386.db2.gz NYISHPHXIFHULV-UHFFFAOYSA-N 0 0 268.747 4.500 10 0 CJAERN Clc1ccccc1NCc1ccc2ccccc2n1 ZINC000020246280 171099304 /nfs/dbraw/zinc/09/93/04/171099304.db2.gz ZKPJMVPBYYEDKR-UHFFFAOYSA-N 0 0 268.747 4.500 10 0 CJAERN Cc1nc(CNc2ccccc2-c2ccccc2)cs1 ZINC000020252843 171105096 /nfs/dbraw/zinc/10/50/96/171105096.db2.gz QIBOWFDOPLLVBZ-UHFFFAOYSA-N 0 0 280.396 4.731 10 0 CJAERN Cc1nc(CNc2ccc3oc4ccccc4c3c2)cs1 ZINC000020253319 171106248 /nfs/dbraw/zinc/10/62/48/171106248.db2.gz HBKRRLWAPMKOHY-UHFFFAOYSA-N 0 0 294.379 4.963 10 0 CJAERN Cc1cccc2cc(-c3ccccc3)c(Cl)nc12 ZINC000020270976 171126298 /nfs/dbraw/zinc/12/62/98/171126298.db2.gz KQGMUTUDGACDQP-UHFFFAOYSA-N 0 0 253.732 4.864 10 0 CJAERN Fc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000020302553 171139742 /nfs/dbraw/zinc/13/97/42/171139742.db2.gz RQHPQMDGORSWJS-UHFFFAOYSA-N 0 0 290.647 4.637 10 0 CJAERN Fc1ccc(Nc2ncc(Cl)cc2Cl)cc1Cl ZINC000020302667 171139441 /nfs/dbraw/zinc/13/94/41/171139441.db2.gz JGXHONZMASCBKG-UHFFFAOYSA-N 0 0 291.540 4.925 10 0 CJAERN CC(=O)c1ccc(OCc2ccc(C(C)C)cc2)cc1 ZINC000020302712 171139688 /nfs/dbraw/zinc/13/96/88/171139688.db2.gz CWONOYUMGBRDRH-UHFFFAOYSA-N 0 0 268.356 4.592 10 0 CJAERN CC(=O)c1ccccc1OCc1ccc(C(C)C)cc1 ZINC000020302721 171139437 /nfs/dbraw/zinc/13/94/37/171139437.db2.gz ADTLVJPRVBULQK-UHFFFAOYSA-N 0 0 268.356 4.592 10 0 CJAERN CCC(=O)c1ccc(OCc2ccc(C(C)C)cc2)cc1 ZINC000020302724 171139679 /nfs/dbraw/zinc/13/96/79/171139679.db2.gz IPEKAWCZXIHUMP-UHFFFAOYSA-N 0 0 282.383 4.982 10 0 CJAERN CC(=O)c1cccc(OCc2ccc(C(C)C)cc2)c1 ZINC000020302729 171139750 /nfs/dbraw/zinc/13/97/50/171139750.db2.gz FXFVDWKGNRDPQM-UHFFFAOYSA-N 0 0 268.356 4.592 10 0 CJAERN COc1ccc(Cl)cc1Nc1nc2ccccc2s1 ZINC000020303615 171140399 /nfs/dbraw/zinc/14/03/99/171140399.db2.gz XZBYCRKROFTGJO-UHFFFAOYSA-N 0 0 290.775 4.702 10 0 CJAERN Cc1ccc(N[C@H](C)c2ccc(F)cc2)c(Cl)c1 ZINC000020307023 171142866 /nfs/dbraw/zinc/14/28/66/171142866.db2.gz JUSQCIXEMPIPGY-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(N[C@@H](C)c2ccc(F)cc2)c(Cl)c1 ZINC000020307024 171142979 /nfs/dbraw/zinc/14/29/79/171142979.db2.gz JUSQCIXEMPIPGY-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN C[C@@H](Nc1cccc(Cl)c1F)c1ccc(F)cc1 ZINC000020307031 171142753 /nfs/dbraw/zinc/14/27/53/171142753.db2.gz AMAWWTWAPNIZJN-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1cccc(Cl)c1F)c1ccc(F)cc1 ZINC000020307033 171143052 /nfs/dbraw/zinc/14/30/52/171143052.db2.gz AMAWWTWAPNIZJN-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN Cc1ccc(NCc2ccc3ccccc3n2)c(Cl)c1 ZINC000020307987 171143599 /nfs/dbraw/zinc/14/35/99/171143599.db2.gz GNPLHQBZIGBPFI-UHFFFAOYSA-N 0 0 282.774 4.809 10 0 CJAERN Fc1ccc(NCc2ccc3ccccc3n2)c(Cl)c1 ZINC000020308655 171143233 /nfs/dbraw/zinc/14/32/33/171143233.db2.gz VQJMFZZUYSLTEL-UHFFFAOYSA-N 0 0 286.737 4.639 10 0 CJAERN CC(C)c1cccc(NCc2ccc3ccccc3n2)c1 ZINC000020310198 171143936 /nfs/dbraw/zinc/14/39/36/171143936.db2.gz YKNCAAAKSSCFMZ-UHFFFAOYSA-N 0 0 276.383 4.970 10 0 CJAERN CCc1sc(-c2ccc(O)cc2)nc1-c1ccccc1 ZINC000020311535 171144761 /nfs/dbraw/zinc/14/47/61/171144761.db2.gz TVXIZSWALFALMF-UHFFFAOYSA-N 0 0 281.380 4.745 10 0 CJAERN CCCCC1CCC(C(=O)Nc2ccc(C)c(N)c2)CC1 ZINC000020344693 171153879 /nfs/dbraw/zinc/15/38/79/171153879.db2.gz QAJYFWHKSAESLD-UHFFFAOYSA-N 0 0 288.435 4.512 10 0 CJAERN CCCCC1CCC(C(=O)Nc2ccc(C)cc2N)CC1 ZINC000020344697 171153893 /nfs/dbraw/zinc/15/38/93/171153893.db2.gz OGLJXENQMBQJIZ-UHFFFAOYSA-N 0 0 288.435 4.512 10 0 CJAERN CC(C)c1ccc(COc2ccc(N)cc2Cl)cc1 ZINC000020351966 171156206 /nfs/dbraw/zinc/15/62/06/171156206.db2.gz VGNBTLFILOZEEU-UHFFFAOYSA-N 0 0 275.779 4.625 10 0 CJAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(N)cc1Cl ZINC000020351980 171156144 /nfs/dbraw/zinc/15/61/44/171156144.db2.gz PZKMYGOXBRZGAS-GHJWDPDVSA-N 0 0 281.827 4.762 10 0 CJAERN CCC1CCC(Oc2ccc(C(F)(F)F)cc2N)CC1 ZINC000020352083 171156140 /nfs/dbraw/zinc/15/61/40/171156140.db2.gz FLCBFHCQWNVCDR-UHFFFAOYSA-N 0 0 287.325 4.635 10 0 CJAERN Nc1cc(Cl)ccc1Oc1cccc(C(F)(F)F)c1 ZINC000020353645 171156691 /nfs/dbraw/zinc/15/66/91/171156691.db2.gz LJBIJWMIZACCLQ-UHFFFAOYSA-N 0 0 287.668 4.733 10 0 CJAERN CC(C)c1ccc(COc2ccc(Cl)cc2N)cc1 ZINC000020353651 171156576 /nfs/dbraw/zinc/15/65/76/171156576.db2.gz HBZHWJCFXWPJNT-UHFFFAOYSA-N 0 0 275.779 4.625 10 0 CJAERN C[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1 ZINC000020358640 171157611 /nfs/dbraw/zinc/15/76/11/171157611.db2.gz LJHKCJVVBAOCQW-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1 ZINC000020358642 171157353 /nfs/dbraw/zinc/15/73/53/171157353.db2.gz LJHKCJVVBAOCQW-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN C[C@@H](Nc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000020358651 171157295 /nfs/dbraw/zinc/15/72/95/171157295.db2.gz VQZGZOVLVYZSJI-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000020358652 171157566 /nfs/dbraw/zinc/15/75/66/171157566.db2.gz VQZGZOVLVYZSJI-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN C[C@@H](Nc1c(F)cccc1F)c1ccccc1Cl ZINC000020358658 171157423 /nfs/dbraw/zinc/15/74/23/171157423.db2.gz MDRSQLSFDVGASY-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1c(F)cccc1F)c1ccccc1Cl ZINC000020358659 171157284 /nfs/dbraw/zinc/15/72/84/171157284.db2.gz MDRSQLSFDVGASY-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN Cc1ccc(N[C@H](C)c2ccccc2Cl)c(F)c1 ZINC000020358696 171157528 /nfs/dbraw/zinc/15/75/28/171157528.db2.gz QGTCIWXWXPLYNV-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(N[C@@H](C)c2ccccc2Cl)c(F)c1 ZINC000020358697 171157473 /nfs/dbraw/zinc/15/74/73/171157473.db2.gz QGTCIWXWXPLYNV-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(F)c(N[C@H](C)c2ccccc2Cl)c1 ZINC000020358747 171158161 /nfs/dbraw/zinc/15/81/61/171158161.db2.gz MNUNJFSOMWOFET-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(F)c(N[C@@H](C)c2ccccc2Cl)c1 ZINC000020358748 171158388 /nfs/dbraw/zinc/15/83/88/171158388.db2.gz MNUNJFSOMWOFET-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN CCCCCCNc1ccc(OC(F)(F)F)cc1 ZINC000020359147 171158379 /nfs/dbraw/zinc/15/83/79/171158379.db2.gz ONMLWPNJYJIKGT-UHFFFAOYSA-N 0 0 261.287 4.577 10 0 CJAERN Cn1cccc1CNc1ccc2oc3ccccc3c2c1 ZINC000020359178 171158306 /nfs/dbraw/zinc/15/83/06/171158306.db2.gz CPXOZZNZMWIUNB-UHFFFAOYSA-N 0 0 276.339 4.537 10 0 CJAERN Cc1ccc(NCCCc2ccccc2)c(Cl)c1 ZINC000020359196 171157871 /nfs/dbraw/zinc/15/78/71/171157871.db2.gz RGDBGMFTBQXMJI-UHFFFAOYSA-N 0 0 259.780 4.693 10 0 CJAERN Fc1ccc(NCCCc2ccccc2)cc1Cl ZINC000020359233 171158149 /nfs/dbraw/zinc/15/81/49/171158149.db2.gz OLOJRKPBNRYCAH-UHFFFAOYSA-N 0 0 263.743 4.524 10 0 CJAERN CCCCCCNc1ccc(Br)cc1F ZINC000020359324 171158263 /nfs/dbraw/zinc/15/82/63/171158263.db2.gz FTWYZJSNKWQKFG-UHFFFAOYSA-N 0 0 274.177 4.580 10 0 CJAERN CCCCCCNc1ccc(Br)c(C)c1 ZINC000020359374 171157914 /nfs/dbraw/zinc/15/79/14/171157914.db2.gz KXWORVKEGPXOSW-UHFFFAOYSA-N 0 0 270.214 4.750 10 0 CJAERN Fc1ccc(NCCCc2ccccc2)c(Cl)c1 ZINC000020359391 171157925 /nfs/dbraw/zinc/15/79/25/171157925.db2.gz NZMHJXFAKSSOIL-UHFFFAOYSA-N 0 0 263.743 4.524 10 0 CJAERN C[C@@H](Nc1c(F)cccc1F)c1nc2ccccc2s1 ZINC000020359478 171158214 /nfs/dbraw/zinc/15/82/14/171158214.db2.gz ZWHKALLXYDVKFR-SECBINFHSA-N 0 0 290.338 4.748 10 0 CJAERN C[C@H](Nc1c(F)cccc1F)c1nc2ccccc2s1 ZINC000020359480 171158385 /nfs/dbraw/zinc/15/83/85/171158385.db2.gz ZWHKALLXYDVKFR-VIFPVBQESA-N 0 0 290.338 4.748 10 0 CJAERN Cc1ccc(N[C@H](C)c2nc3ccccc3s2)c(F)c1 ZINC000020359959 171158718 /nfs/dbraw/zinc/15/87/18/171158718.db2.gz GKOUQTKUPYQZPK-LLVKDONJSA-N 0 0 286.375 4.917 10 0 CJAERN Cc1ccc(N[C@@H](C)c2nc3ccccc3s2)c(F)c1 ZINC000020359961 171158942 /nfs/dbraw/zinc/15/89/42/171158942.db2.gz GKOUQTKUPYQZPK-NSHDSACASA-N 0 0 286.375 4.917 10 0 CJAERN CCCCCCNc1ccc(C)cc1Br ZINC000020360016 171158921 /nfs/dbraw/zinc/15/89/21/171158921.db2.gz IWCPHKCOWNYYKK-UHFFFAOYSA-N 0 0 270.214 4.750 10 0 CJAERN CCCCCCNc1cc(C)c(Cl)cc1OC ZINC000020360054 171158927 /nfs/dbraw/zinc/15/89/27/171158927.db2.gz GSYRWGTYYZBOHI-UHFFFAOYSA-N 0 0 255.789 4.649 10 0 CJAERN Cc1ccc(F)c(N[C@H](C)c2nc3ccccc3s2)c1 ZINC000020360152 171158581 /nfs/dbraw/zinc/15/85/81/171158581.db2.gz GKDRUEDAEPKQCS-LLVKDONJSA-N 0 0 286.375 4.917 10 0 CJAERN Cc1ccc(F)c(N[C@@H](C)c2nc3ccccc3s2)c1 ZINC000020360154 171158811 /nfs/dbraw/zinc/15/88/11/171158811.db2.gz GKDRUEDAEPKQCS-NSHDSACASA-N 0 0 286.375 4.917 10 0 CJAERN CCCCCCNc1ccc(OC(F)F)c(Cl)c1 ZINC000020360227 171158959 /nfs/dbraw/zinc/15/89/59/171158959.db2.gz AKBAFMBLQFKRFZ-UHFFFAOYSA-N 0 0 277.742 4.934 10 0 CJAERN Fc1c(Cl)cccc1NCCCc1ccccc1 ZINC000020360404 171158650 /nfs/dbraw/zinc/15/86/50/171158650.db2.gz VIHJVKIJWSEDMP-UHFFFAOYSA-N 0 0 263.743 4.524 10 0 CJAERN Fc1c(Cl)cccc1NCc1ccc2ccccc2n1 ZINC000020360411 171158652 /nfs/dbraw/zinc/15/86/52/171158652.db2.gz MACFWVUHTPAAJM-UHFFFAOYSA-N 0 0 286.737 4.639 10 0 CJAERN CCCCCCNc1ccc(Br)cc1C ZINC000020360436 171158839 /nfs/dbraw/zinc/15/88/39/171158839.db2.gz HKQYSKFCFQBPBZ-UHFFFAOYSA-N 0 0 270.214 4.750 10 0 CJAERN CCCCCCNc1ccccc1SC(F)F ZINC000020360580 171159326 /nfs/dbraw/zinc/15/93/26/171159326.db2.gz ZYPAJMPAWWGPCS-UHFFFAOYSA-N 0 0 259.365 4.994 10 0 CJAERN Cc1ccc(NCc2ccc(Cl)cc2)c(Cl)c1 ZINC000020361005 171159321 /nfs/dbraw/zinc/15/93/21/171159321.db2.gz MYEWSYPSTWFHAP-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN Cc1ccc(NCc2cccc(Cl)c2)c(Cl)c1 ZINC000020361012 171159334 /nfs/dbraw/zinc/15/93/34/171159334.db2.gz OKPALBLPHMHGII-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN Cc1ccc(NCc2ccccc2Cl)c(Cl)c1 ZINC000020361013 171159513 /nfs/dbraw/zinc/15/95/13/171159513.db2.gz AWWLIOLWASJFIF-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN CCOc1ccccc1CNc1ccc(C)cc1Cl ZINC000020361032 171159618 /nfs/dbraw/zinc/15/96/18/171159618.db2.gz NSLQCAYIPIPSHN-UHFFFAOYSA-N 0 0 275.779 4.659 10 0 CJAERN CSc1ccc(CNc2ccc(C)cc2Cl)cc1 ZINC000020361035 171159746 /nfs/dbraw/zinc/15/97/46/171159746.db2.gz PAPACTSVZVQYBA-UHFFFAOYSA-N 0 0 277.820 4.982 10 0 CJAERN Cc1ccc(NCc2ccc(Cl)s2)c(Cl)c1 ZINC000020361038 171159272 /nfs/dbraw/zinc/15/92/72/171159272.db2.gz KMVYDTZVQHUMCN-UHFFFAOYSA-N 0 0 272.200 4.975 10 0 CJAERN CCOc1ccc(CNc2ccc(C)cc2Cl)cc1 ZINC000020361045 171159379 /nfs/dbraw/zinc/15/93/79/171159379.db2.gz ADHYQMPFBAVXKJ-UHFFFAOYSA-N 0 0 275.779 4.659 10 0 CJAERN Fc1ccc(NCc2cccc(Cl)c2)cc1Cl ZINC000020361071 171159627 /nfs/dbraw/zinc/15/96/27/171159627.db2.gz CSHNYHVEVLHMSB-UHFFFAOYSA-N 0 0 270.134 4.745 10 0 CJAERN CSc1ccc(CNc2ccc(F)c(Cl)c2)cc1 ZINC000020361078 171159274 /nfs/dbraw/zinc/15/92/74/171159274.db2.gz JDFGUAAXMGSFMH-UHFFFAOYSA-N 0 0 281.783 4.813 10 0 CJAERN Fc1ccc(NCc2ccc(Cl)s2)cc1Cl ZINC000020361081 171159526 /nfs/dbraw/zinc/15/95/26/171159526.db2.gz FTHJECUOZURVRN-UHFFFAOYSA-N 0 0 276.163 4.806 10 0 CJAERN Fc1ccc(NCc2ccc(Cl)cc2)c(Cl)c1 ZINC000020361092 171159752 /nfs/dbraw/zinc/15/97/52/171159752.db2.gz QWNSVIOQJNDRPE-UHFFFAOYSA-N 0 0 270.134 4.745 10 0 CJAERN Fc1ccc(NCc2c(F)cccc2Cl)c(Cl)c1 ZINC000020361098 171159372 /nfs/dbraw/zinc/15/93/72/171159372.db2.gz MUBCHVLWVIDTLG-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Fc1ccc(NCc2cccc(Cl)c2)c(Cl)c1 ZINC000020361099 171159757 /nfs/dbraw/zinc/15/97/57/171159757.db2.gz JETXYNSXTDFXEG-UHFFFAOYSA-N 0 0 270.134 4.745 10 0 CJAERN Fc1ccc(NCc2ccccc2Cl)c(Cl)c1 ZINC000020361100 171159462 /nfs/dbraw/zinc/15/94/62/171159462.db2.gz ZLFAWQQKFANQGQ-UHFFFAOYSA-N 0 0 270.134 4.745 10 0 CJAERN Fc1ccc(CNc2ccc(F)cc2Cl)c(Cl)c1 ZINC000020361113 171159355 /nfs/dbraw/zinc/15/93/55/171159355.db2.gz XZZUEFPREDBEQD-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN CSc1ccc(CNc2ccc(F)cc2Cl)cc1 ZINC000020361122 171159266 /nfs/dbraw/zinc/15/92/66/171159266.db2.gz NOZUGGPPQJUKKH-UHFFFAOYSA-N 0 0 281.783 4.813 10 0 CJAERN Fc1ccc(NCc2ccc(Cl)s2)c(Cl)c1 ZINC000020361125 171159501 /nfs/dbraw/zinc/15/95/01/171159501.db2.gz DGALEJFMPDLWHX-UHFFFAOYSA-N 0 0 276.163 4.806 10 0 CJAERN Fc1cccc(F)c1NCc1ccc(Cl)cc1Cl ZINC000020361174 171159312 /nfs/dbraw/zinc/15/93/12/171159312.db2.gz VBBVFMTXGBWRDS-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Fc1cccc(F)c1NCc1ccc(Cl)c(Cl)c1 ZINC000020361175 171159736 /nfs/dbraw/zinc/15/97/36/171159736.db2.gz IWDAHXMVPVFJJW-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Fc1cccc(F)c1NCc1c(Cl)cccc1Cl ZINC000020361180 171159584 /nfs/dbraw/zinc/15/95/84/171159584.db2.gz HWXCOQVVNQGVAW-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Fc1cccc(F)c1NCc1cccc2ccccc21 ZINC000020361203 171159749 /nfs/dbraw/zinc/15/97/49/171159749.db2.gz VEMFANWOBKTKSC-UHFFFAOYSA-N 0 0 269.294 4.730 10 0 CJAERN CC(C)(C)c1ccc(CNc2c(F)cccc2F)cc1 ZINC000020361218 171159283 /nfs/dbraw/zinc/15/92/83/171159283.db2.gz JIVMXLXTPZNSLH-UHFFFAOYSA-N 0 0 275.342 4.874 10 0 CJAERN Fc1cccc(F)c1NCc1ccccc1C(F)(F)F ZINC000020361228 171159679 /nfs/dbraw/zinc/15/96/79/171159679.db2.gz ALVLRHGQMQAWSJ-UHFFFAOYSA-N 0 0 287.231 4.596 10 0 CJAERN CC(C)c1ccc(CNc2c(F)cccc2F)cc1 ZINC000020361229 171159177 /nfs/dbraw/zinc/15/91/77/171159177.db2.gz IWPOUEJGLUKRNS-UHFFFAOYSA-N 0 0 261.315 4.700 10 0 CJAERN Fc1cccc(F)c1NCc1ccc2ccccc2c1 ZINC000020361232 171159505 /nfs/dbraw/zinc/15/95/05/171159505.db2.gz CNJOKFYLLAFZAW-UHFFFAOYSA-N 0 0 269.294 4.730 10 0 CJAERN Cc1ccc(NCc2cccc3ccccc32)c(F)c1 ZINC000020361399 171160138 /nfs/dbraw/zinc/16/01/38/171160138.db2.gz ZPVPICSHGGWNLG-UHFFFAOYSA-N 0 0 265.331 4.899 10 0 CJAERN Cc1ccc(NCc2ccc(F)cc2Cl)c(F)c1 ZINC000020361410 171160210 /nfs/dbraw/zinc/16/02/10/171160210.db2.gz LHFQHRJMSLTAQK-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1ccc(NCc2ccccc2Br)c(F)c1 ZINC000020361414 171160436 /nfs/dbraw/zinc/16/04/36/171160436.db2.gz KITTZKJKZMOIAM-UHFFFAOYSA-N 0 0 294.167 4.509 10 0 CJAERN Cc1ccc(NCc2cccc(Br)c2)c(F)c1 ZINC000020361420 171159894 /nfs/dbraw/zinc/15/98/94/171159894.db2.gz HUYLYNXJWMVLIA-UHFFFAOYSA-N 0 0 294.167 4.509 10 0 CJAERN Cc1ccc(NCc2ccc3ccccc3c2)c(F)c1 ZINC000020361421 171159926 /nfs/dbraw/zinc/15/99/26/171159926.db2.gz MFSLIFAEQMVEEJ-UHFFFAOYSA-N 0 0 265.331 4.899 10 0 CJAERN Cc1ccc(F)c(NCc2cccc3ccccc32)c1 ZINC000020361484 171160147 /nfs/dbraw/zinc/16/01/47/171160147.db2.gz KRLCROCLRXDPCH-UHFFFAOYSA-N 0 0 265.331 4.899 10 0 CJAERN Cc1ccc(F)c(NCc2ccc(C(C)C)cc2)c1 ZINC000020361510 171160315 /nfs/dbraw/zinc/16/03/15/171160315.db2.gz HYCZHAOMLDGZEY-UHFFFAOYSA-N 0 0 257.352 4.870 10 0 CJAERN Cc1ccc(F)c(NCc2ccc3ccccc3c2)c1 ZINC000020361513 171160159 /nfs/dbraw/zinc/16/01/59/171160159.db2.gz YBEGCUYHPSQITO-UHFFFAOYSA-N 0 0 265.331 4.899 10 0 CJAERN Fc1c(Cl)cccc1NCc1ccc(Cl)cc1 ZINC000020361611 171160273 /nfs/dbraw/zinc/16/02/73/171160273.db2.gz FXTMSQANPVDODD-UHFFFAOYSA-N 0 0 270.134 4.745 10 0 CJAERN Fc1cccc(Cl)c1CNc1cccc(Cl)c1F ZINC000020361621 171159910 /nfs/dbraw/zinc/15/99/10/171159910.db2.gz AHNFUEHPZHWMJV-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Fc1c(Cl)cccc1NCc1cccc(Cl)c1 ZINC000020361622 171160254 /nfs/dbraw/zinc/16/02/54/171160254.db2.gz QEEQAUDBBPNMQL-UHFFFAOYSA-N 0 0 270.134 4.745 10 0 CJAERN Fc1c(Cl)cccc1NCc1ccccc1Cl ZINC000020361623 171160212 /nfs/dbraw/zinc/16/02/12/171160212.db2.gz OVFHZPMIMSDYEP-UHFFFAOYSA-N 0 0 270.134 4.745 10 0 CJAERN Fc1ccc(CNc2cccc(Cl)c2F)c(Cl)c1 ZINC000020361675 171160441 /nfs/dbraw/zinc/16/04/41/171160441.db2.gz XNXGIXQTMUVLGK-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN CSc1ccc(CNc2cccc(Cl)c2F)cc1 ZINC000020361684 171160243 /nfs/dbraw/zinc/16/02/43/171160243.db2.gz GVUDNERCVSQKQF-UHFFFAOYSA-N 0 0 281.783 4.813 10 0 CJAERN Fc1c(Cl)cccc1NCc1ccc(Cl)s1 ZINC000020361687 171160162 /nfs/dbraw/zinc/16/01/62/171160162.db2.gz XBDYXELNVSGWBT-UHFFFAOYSA-N 0 0 276.163 4.806 10 0 CJAERN Cc1c2ccccc2oc1C(=O)c1ccc(C)c(C)c1 ZINC000020362315 171160887 /nfs/dbraw/zinc/16/08/87/171160887.db2.gz PFHSNKSOKARUHZ-UHFFFAOYSA-N 0 0 264.324 4.589 10 0 CJAERN Cc1c2ccccc2oc1C(=O)c1cccc(Cl)c1 ZINC000020362316 171160892 /nfs/dbraw/zinc/16/08/92/171160892.db2.gz LJJURORLLARKGT-UHFFFAOYSA-N 0 0 270.715 4.626 10 0 CJAERN Cc1c2ccccc2oc1C(=O)c1cc(C)ccc1C ZINC000020362321 171161126 /nfs/dbraw/zinc/16/11/26/171161126.db2.gz PKQSICCRDRAWSG-UHFFFAOYSA-N 0 0 264.324 4.589 10 0 CJAERN Cc1c2ccccc2oc1C(=O)c1ccc(C)cc1C ZINC000020362324 171161044 /nfs/dbraw/zinc/16/10/44/171161044.db2.gz WYDTVTLZOGTTJQ-UHFFFAOYSA-N 0 0 264.324 4.589 10 0 CJAERN c1ccc2sc(NC34CC5CC(CC(C5)C3)C4)nc2c1 ZINC000020362408 171161081 /nfs/dbraw/zinc/16/10/81/171161081.db2.gz NUXALLZDKALAFX-UHFFFAOYSA-N 0 0 284.428 4.677 10 0 CJAERN Cc1cc(C=O)cc(C)c1OCc1ccc(C(C)C)cc1 ZINC000020362783 171161774 /nfs/dbraw/zinc/16/17/74/171161774.db2.gz YHLTZQMWRCLRLR-UHFFFAOYSA-N 0 0 282.383 4.818 10 0 CJAERN O=C(c1cc2cc(Cl)ccc2o1)c1cccc(Cl)c1 ZINC000020362831 171161828 /nfs/dbraw/zinc/16/18/28/171161828.db2.gz OQYRJHQKNOEHJN-UHFFFAOYSA-N 0 0 291.133 4.971 10 0 CJAERN CCCOc1ccc(Oc2ccc(F)cc2C(C)=O)cc1 ZINC000020368579 171167205 /nfs/dbraw/zinc/16/72/05/171167205.db2.gz AMYXAVPGFDBKDI-UHFFFAOYSA-N 0 0 288.318 4.609 10 0 CJAERN CC(=O)c1cc(F)ccc1Oc1cc(C)cc(C)c1C ZINC000020368616 171167272 /nfs/dbraw/zinc/16/72/72/171167272.db2.gz AGOPGIBXYKQOOV-UHFFFAOYSA-N 0 0 272.319 4.746 10 0 CJAERN CC(=O)c1ccccc1Oc1cc(C)cc(C)c1C ZINC000020368618 171166889 /nfs/dbraw/zinc/16/68/89/171166889.db2.gz JZTDXSZBWUBPMK-UHFFFAOYSA-N 0 0 254.329 4.607 10 0 CJAERN CC(=O)CCOc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000020368746 171167017 /nfs/dbraw/zinc/16/70/17/171167017.db2.gz APYNBRZRZAQCMA-UHFFFAOYSA-N 0 0 276.420 4.758 10 0 CJAERN Cc1ccc(C)c(-c2nnc(Cl)c3ccccc32)c1 ZINC000020369017 171166844 /nfs/dbraw/zinc/16/68/44/171166844.db2.gz GJJBSHLHWXBXAE-UHFFFAOYSA-N 0 0 268.747 4.567 10 0 CJAERN Cc1c2ccccc2oc1[C@@H](N)c1cc2ccccc2o1 ZINC000020369020 171167274 /nfs/dbraw/zinc/16/72/74/171167274.db2.gz PMXPTDSGJCWNNI-KRWDZBQOSA-N 0 0 277.323 4.536 10 0 CJAERN Cc1c2ccccc2oc1[C@H](N)c1cc2ccccc2o1 ZINC000020369023 171167220 /nfs/dbraw/zinc/16/72/20/171167220.db2.gz PMXPTDSGJCWNNI-QGZVFWFLSA-N 0 0 277.323 4.536 10 0 CJAERN N[C@H](c1cc2ccccc2o1)c1ccc(Cl)c(Cl)c1 ZINC000020369088 171166907 /nfs/dbraw/zinc/16/69/07/171166907.db2.gz QNPMSTIQRYSSMS-HNNXBMFYSA-N 0 0 292.165 4.788 10 0 CJAERN N[C@@H](c1cc2ccccc2o1)c1ccc(Cl)c(Cl)c1 ZINC000020369091 171166866 /nfs/dbraw/zinc/16/68/66/171166866.db2.gz QNPMSTIQRYSSMS-OAHLLOKOSA-N 0 0 292.165 4.788 10 0 CJAERN N[C@H](c1cc2ccccc2o1)c1ccc2ccccc2c1 ZINC000020369122 171167072 /nfs/dbraw/zinc/16/70/72/171167072.db2.gz JPKFUAWROXVBLI-IBGZPJMESA-N 0 0 273.335 4.634 10 0 CJAERN N[C@@H](c1cc2ccccc2o1)c1ccc2ccccc2c1 ZINC000020369125 171167013 /nfs/dbraw/zinc/16/70/13/171167013.db2.gz JPKFUAWROXVBLI-LJQANCHMSA-N 0 0 273.335 4.634 10 0 CJAERN N[C@@H](c1cc2ccccc2o1)c1ccc(Cl)cc1Cl ZINC000020369182 171167198 /nfs/dbraw/zinc/16/71/98/171167198.db2.gz YLFVGNJNZJMDNT-OAHLLOKOSA-N 0 0 292.165 4.788 10 0 CJAERN N[C@H](c1cc2ccccc2o1)c1ccc(Cl)cc1Cl ZINC000020369184 171167103 /nfs/dbraw/zinc/16/71/03/171167103.db2.gz YLFVGNJNZJMDNT-HNNXBMFYSA-N 0 0 292.165 4.788 10 0 CJAERN CCCc1ccc(C(=O)c2cc3ccccc3o2)cc1 ZINC000020369300 171167144 /nfs/dbraw/zinc/16/71/44/171167144.db2.gz HFZCQYFWHPDBLS-UHFFFAOYSA-N 0 0 264.324 4.616 10 0 CJAERN N[C@@H](c1cc2ccccc2o1)c1cc(Cl)ccc1Cl ZINC000020369327 171166727 /nfs/dbraw/zinc/16/67/27/171166727.db2.gz USDMERJIITVXCS-OAHLLOKOSA-N 0 0 292.165 4.788 10 0 CJAERN N[C@H](c1cc2ccccc2o1)c1cc(Cl)ccc1Cl ZINC000020369330 171167021 /nfs/dbraw/zinc/16/70/21/171167021.db2.gz USDMERJIITVXCS-HNNXBMFYSA-N 0 0 292.165 4.788 10 0 CJAERN O=C(c1cc2ccccc2o1)c1ccc(C(F)(F)F)cc1 ZINC000020369446 171167207 /nfs/dbraw/zinc/16/72/07/171167207.db2.gz FVFHMVNAIKXFSH-UHFFFAOYSA-N 0 0 290.240 4.683 10 0 CJAERN Cc1cc([C@@H](C)Nc2ccc(C)cc2F)c(C)s1 ZINC000020371146 171168356 /nfs/dbraw/zinc/16/83/56/171168356.db2.gz ODOIPEIQARIADS-LLVKDONJSA-N 0 0 263.381 4.986 10 0 CJAERN Cc1cc([C@H](C)Nc2ccc(C)cc2F)c(C)s1 ZINC000020371149 171168193 /nfs/dbraw/zinc/16/81/93/171168193.db2.gz ODOIPEIQARIADS-NSHDSACASA-N 0 0 263.381 4.986 10 0 CJAERN Cc1ccc(N[C@H](C)c2ccc(C)c(C)c2)c(F)c1 ZINC000020371424 171168469 /nfs/dbraw/zinc/16/84/69/171168469.db2.gz QIGSYXAPGLYAMB-CQSZACIVSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1ccc(N[C@@H](C)c2ccc(C)c(C)c2)c(F)c1 ZINC000020371427 171168395 /nfs/dbraw/zinc/16/83/95/171168395.db2.gz QIGSYXAPGLYAMB-AWEZNQCLSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1ccc(N[C@H](C)c2cccc(Cl)c2)c(F)c1 ZINC000020371496 171168175 /nfs/dbraw/zinc/16/81/75/171168175.db2.gz MNSVZJQIBJHQLE-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(N[C@@H](C)c2cccc(Cl)c2)c(F)c1 ZINC000020371500 171168293 /nfs/dbraw/zinc/16/82/93/171168293.db2.gz MNSVZJQIBJHQLE-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(N[C@H](C)c2cc(C)ccc2C)c(F)c1 ZINC000020371646 171168091 /nfs/dbraw/zinc/16/80/91/171168091.db2.gz UPGWOENOZZTOJV-CQSZACIVSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1ccc(N[C@@H](C)c2cc(C)ccc2C)c(F)c1 ZINC000020371650 171168227 /nfs/dbraw/zinc/16/82/27/171168227.db2.gz UPGWOENOZZTOJV-AWEZNQCLSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc(C)cc2F)c(C)c1 ZINC000020371671 171168368 /nfs/dbraw/zinc/16/83/68/171168368.db2.gz AIZGSVUNYIRGKS-CQSZACIVSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc(C)cc2F)c(C)c1 ZINC000020371676 171168372 /nfs/dbraw/zinc/16/83/72/171168372.db2.gz AIZGSVUNYIRGKS-AWEZNQCLSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1ccc(N[C@H](C)c2ccc(Cl)cc2)c(F)c1 ZINC000020372044 171168119 /nfs/dbraw/zinc/16/81/19/171168119.db2.gz VPKHXXHBGWGKDL-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(N[C@@H](C)c2ccc(Cl)cc2)c(F)c1 ZINC000020372048 171169109 /nfs/dbraw/zinc/16/91/09/171169109.db2.gz VPKHXXHBGWGKDL-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(N[C@@H](C)CCc2ccccc2)c(F)c1 ZINC000020372096 171168975 /nfs/dbraw/zinc/16/89/75/171168975.db2.gz QGDKPVZXMQLQMQ-AWEZNQCLSA-N 0 0 257.352 4.567 10 0 CJAERN Cc1ccc(N[C@H](C)CCc2ccccc2)c(F)c1 ZINC000020372099 171168649 /nfs/dbraw/zinc/16/86/49/171168649.db2.gz QGDKPVZXMQLQMQ-CQSZACIVSA-N 0 0 257.352 4.567 10 0 CJAERN Cc1ccc(NCc2c(C)cc(C)cc2C)c(F)c1 ZINC000020372272 171168790 /nfs/dbraw/zinc/16/87/90/171168790.db2.gz FPEBITQJJLZKHK-UHFFFAOYSA-N 0 0 257.352 4.671 10 0 CJAERN Clc1ccc(-c2nnc(Cl)c3ccccc32)s1 ZINC000020381182 171172864 /nfs/dbraw/zinc/17/28/64/171172864.db2.gz ISCDQYWQYFCXQU-UHFFFAOYSA-N 0 0 281.167 4.665 10 0 CJAERN CCc1ccc(-c2nnc(Cl)c3ccccc32)s1 ZINC000020381190 171172364 /nfs/dbraw/zinc/17/23/64/171172364.db2.gz WZRDQMYMXNANNE-UHFFFAOYSA-N 0 0 274.776 4.574 10 0 CJAERN Cc1ccc(-c2nnc(Cl)c3ccccc32)c(C)c1 ZINC000020381225 171172425 /nfs/dbraw/zinc/17/24/25/171172425.db2.gz HUNMJIITJXSCGL-UHFFFAOYSA-N 0 0 268.747 4.567 10 0 CJAERN Clc1nnc(-c2ccc3c(c2)CCCC3)c2ccccc12 ZINC000020381237 171172375 /nfs/dbraw/zinc/17/23/75/171172375.db2.gz STMDVDZXLIDZCX-UHFFFAOYSA-N 0 0 294.785 4.829 10 0 CJAERN CCc1ccc(-c2nnc(Cl)c3ccccc32)cc1 ZINC000020381250 171172776 /nfs/dbraw/zinc/17/27/76/171172776.db2.gz AYYCKVIRIRRLFU-UHFFFAOYSA-N 0 0 268.747 4.513 10 0 CJAERN C[C@@H](Nc1ccc(F)cc1N)c1ccc(Cl)cc1Cl ZINC000020381390 171172394 /nfs/dbraw/zinc/17/23/94/171172394.db2.gz XDXVJNHRPGENTM-MRVPVSSYSA-N 0 0 299.176 4.888 10 0 CJAERN C[C@H](Nc1ccc(F)cc1N)c1ccc(Cl)cc1Cl ZINC000020381393 171172460 /nfs/dbraw/zinc/17/24/60/171172460.db2.gz XDXVJNHRPGENTM-QMMMGPOBSA-N 0 0 299.176 4.888 10 0 CJAERN C[C@@H](Nc1ccccc1N)c1ccc(Cl)cc1Cl ZINC000020381437 171172580 /nfs/dbraw/zinc/17/25/80/171172580.db2.gz VFBJVLNJDKWYCM-SECBINFHSA-N 0 0 281.186 4.749 10 0 CJAERN C[C@H](Nc1ccccc1N)c1ccc(Cl)cc1Cl ZINC000020381441 171172572 /nfs/dbraw/zinc/17/25/72/171172572.db2.gz VFBJVLNJDKWYCM-VIFPVBQESA-N 0 0 281.186 4.749 10 0 CJAERN Nc1cc(Br)ccc1NC1CCCCCCC1 ZINC000020382791 171173274 /nfs/dbraw/zinc/17/32/74/171173274.db2.gz OGCQXYIPZCYLNU-UHFFFAOYSA-N 0 0 297.240 4.556 10 0 CJAERN CCc1ccc2oc([C@@H](N)c3ccc(Cl)cc3)cc2c1 ZINC000020389475 171177989 /nfs/dbraw/zinc/17/79/89/171177989.db2.gz WDWHOOIAMFEFFV-KRWDZBQOSA-N 0 0 285.774 4.697 10 0 CJAERN CCc1ccc2oc([C@H](N)c3ccc(Cl)cc3)cc2c1 ZINC000020389483 171178498 /nfs/dbraw/zinc/17/84/98/171178498.db2.gz WDWHOOIAMFEFFV-QGZVFWFLSA-N 0 0 285.774 4.697 10 0 CJAERN CC(C)c1ccc2oc([C@@H](N)c3ccc(F)cc3)cc2c1 ZINC000020389540 171178152 /nfs/dbraw/zinc/17/81/52/171178152.db2.gz KWRJEHSRTDZZSF-SFHVURJKSA-N 0 0 283.346 4.743 10 0 CJAERN CC(C)c1ccc2oc([C@H](N)c3ccc(F)cc3)cc2c1 ZINC000020389544 171178005 /nfs/dbraw/zinc/17/80/05/171178005.db2.gz KWRJEHSRTDZZSF-GOSISDBHSA-N 0 0 283.346 4.743 10 0 CJAERN N[C@H](c1cc2cc(Cl)ccc2o1)c1ccc(Cl)cc1 ZINC000020389699 171178696 /nfs/dbraw/zinc/17/86/96/171178696.db2.gz CJDDTMQQKNOPNK-HNNXBMFYSA-N 0 0 292.165 4.788 10 0 CJAERN N[C@@H](c1cc2cc(Cl)ccc2o1)c1ccc(Cl)cc1 ZINC000020389706 171178950 /nfs/dbraw/zinc/17/89/50/171178950.db2.gz CJDDTMQQKNOPNK-OAHLLOKOSA-N 0 0 292.165 4.788 10 0 CJAERN COC(=O)c1ccc(Oc2cc(Cl)ccc2Cl)cc1 ZINC000020391497 171180444 /nfs/dbraw/zinc/18/04/44/171180444.db2.gz CQHAHGISYNYUHU-UHFFFAOYSA-N 0 0 297.137 4.572 10 0 CJAERN COC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000020391557 171180210 /nfs/dbraw/zinc/18/02/10/171180210.db2.gz FQISYEGBHLIYPS-UHFFFAOYSA-N 0 0 297.137 4.572 10 0 CJAERN CCCCC1CCC(c2nc3ccc(N)cc3o2)CC1 ZINC000020424056 171190746 /nfs/dbraw/zinc/19/07/46/171190746.db2.gz IEMGHYPZLZWJPR-UHFFFAOYSA-N 0 0 272.392 4.874 10 0 CJAERN Cc1ccc(Cl)cc1NCc1cc(C)c(O)c(C)c1 ZINC000020424103 171190817 /nfs/dbraw/zinc/19/08/17/171190817.db2.gz PPGGKUAWHQFBNJ-UHFFFAOYSA-N 0 0 275.779 4.583 10 0 CJAERN Cc1cc(CNc2ccc(Cl)cc2Cl)cc(C)c1O ZINC000020424159 171191142 /nfs/dbraw/zinc/19/11/42/171191142.db2.gz WGXOTSYNCNKQKZ-UHFFFAOYSA-N 0 0 296.197 4.928 10 0 CJAERN Cc1cc(CNc2cc(Cl)cc(Cl)c2)cc(C)c1O ZINC000020424192 171190906 /nfs/dbraw/zinc/19/09/06/171190906.db2.gz UEGSXRYZWZSTNP-UHFFFAOYSA-N 0 0 296.197 4.928 10 0 CJAERN Cc1cc(C)c(C)c(Oc2c(N)cccc2Cl)c1 ZINC000020425323 171191845 /nfs/dbraw/zinc/19/18/45/171191845.db2.gz GGZZFQKJKYDGLJ-UHFFFAOYSA-N 0 0 261.752 4.640 10 0 CJAERN Cc1cc(C)c(C)c(Oc2ccc(N)cc2Cl)c1 ZINC000020425328 171192197 /nfs/dbraw/zinc/19/21/97/171192197.db2.gz VGYGIFYSEOOWMH-UHFFFAOYSA-N 0 0 261.752 4.640 10 0 CJAERN Cc1cc(C)c(C)c(Oc2ccc(Cl)cc2N)c1 ZINC000020425336 171192227 /nfs/dbraw/zinc/19/22/27/171192227.db2.gz HQOCDVWSHORWSW-UHFFFAOYSA-N 0 0 261.752 4.640 10 0 CJAERN CC(=O)c1ccc(Oc2cc(C)cc(C)c2C)cc1 ZINC000020425607 171192126 /nfs/dbraw/zinc/19/21/26/171192126.db2.gz GVZODVXXSVKNHM-UHFFFAOYSA-N 0 0 254.329 4.607 10 0 CJAERN Cc1cc(C)c(C)c(Oc2cccc(Cl)c2C=O)c1 ZINC000020425635 171192146 /nfs/dbraw/zinc/19/21/46/171192146.db2.gz PGSQAFLNAYTYHG-UHFFFAOYSA-N 0 0 274.747 4.870 10 0 CJAERN C[C@@H](CNc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000020429695 184535711 /nfs/dbraw/zinc/53/57/11/184535711.db2.gz KRFNEFWXNCXQDJ-NSHDSACASA-N 0 0 263.743 4.695 10 0 CJAERN C[C@H](Nc1ccc(F)c(Cl)c1)c1cc(F)ccc1F ZINC000020429777 184535733 /nfs/dbraw/zinc/53/57/33/184535733.db2.gz PEQONZOOVIYVQG-QMMMGPOBSA-N 0 0 285.696 4.930 10 0 CJAERN C[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1F ZINC000020429794 171194884 /nfs/dbraw/zinc/19/48/84/171194884.db2.gz FZSRJDFQBKLTLQ-MRVPVSSYSA-N 0 0 285.696 4.930 10 0 CJAERN C[C@H](Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1F ZINC000020429795 171194841 /nfs/dbraw/zinc/19/48/41/171194841.db2.gz FZSRJDFQBKLTLQ-QMMMGPOBSA-N 0 0 285.696 4.930 10 0 CJAERN Cc1ccccc1[C@@H](C)Nc1ccc(F)c(Cl)c1 ZINC000020429808 171195175 /nfs/dbraw/zinc/19/51/75/171195175.db2.gz STRMDWYGIOVXFZ-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccccc1[C@H](C)Nc1ccc(F)c(Cl)c1 ZINC000020429809 171195229 /nfs/dbraw/zinc/19/52/29/171195229.db2.gz STRMDWYGIOVXFZ-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN CC[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc(O)cc1 ZINC000020429841 171195085 /nfs/dbraw/zinc/19/50/85/171195085.db2.gz UAZZRVOEGQTPTD-OAHLLOKOSA-N 0 0 279.742 4.748 10 0 CJAERN CC[C@H](Nc1ccc(F)c(Cl)c1)c1ccc(O)cc1 ZINC000020429842 171195041 /nfs/dbraw/zinc/19/50/41/171195041.db2.gz UAZZRVOEGQTPTD-HNNXBMFYSA-N 0 0 279.742 4.748 10 0 CJAERN Fc1ccc(N[C@@H]2CCc3ccccc32)cc1Cl ZINC000020429859 171194877 /nfs/dbraw/zinc/19/48/77/171194877.db2.gz VWUNTZYLYAKUJN-OAHLLOKOSA-N 0 0 261.727 4.579 10 0 CJAERN Fc1ccc(N[C@H]2CCc3ccccc32)cc1Cl ZINC000020429860 171195290 /nfs/dbraw/zinc/19/52/90/171195290.db2.gz VWUNTZYLYAKUJN-HNNXBMFYSA-N 0 0 261.727 4.579 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc(F)c(Cl)c2)cc1 ZINC000020429902 171195301 /nfs/dbraw/zinc/19/53/01/171195301.db2.gz ARDDUUGEZAYJQM-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc(F)c(Cl)c2)cc1 ZINC000020429903 171195203 /nfs/dbraw/zinc/19/52/03/171195203.db2.gz ARDDUUGEZAYJQM-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN C[C@@H]1CCC[C@@H](C)C1Nc1ccc(F)c(Cl)c1 ZINC000020429934 171194867 /nfs/dbraw/zinc/19/48/67/171194867.db2.gz BFKGABDXYLMXKW-NXEZZACHSA-N 0 0 255.764 4.716 10 0 CJAERN C[C@@H]1CCC[C@H](C)C1Nc1ccc(F)c(Cl)c1 ZINC000020429935 171195012 /nfs/dbraw/zinc/19/50/12/171195012.db2.gz BFKGABDXYLMXKW-XFLKPENQSA-N 0 0 255.764 4.716 10 0 CJAERN C[C@H]1CCC[C@H](C)C1Nc1ccc(F)c(Cl)c1 ZINC000020429936 171195266 /nfs/dbraw/zinc/19/52/66/171195266.db2.gz BFKGABDXYLMXKW-UWVGGRQHSA-N 0 0 255.764 4.716 10 0 CJAERN CCC1CCC(Nc2ccc(F)c(Cl)c2)CC1 ZINC000020429954 171194826 /nfs/dbraw/zinc/19/48/26/171194826.db2.gz JVGDZGAWQXVDEQ-UHFFFAOYSA-N 0 0 255.764 4.860 10 0 CJAERN Cc1ccc(CNc2ccc(F)c(Cl)c2)c(C)c1 ZINC000020429965 171195161 /nfs/dbraw/zinc/19/51/61/171195161.db2.gz QJEXDVSTBNDGBP-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN CCCCC[C@@H](C)Nc1ccc(F)cc1Br ZINC000020430277 171195099 /nfs/dbraw/zinc/19/50/99/171195099.db2.gz IPIWPPKHCPVPSL-SNVBAGLBSA-N 0 0 288.204 4.969 10 0 CJAERN CCCCC[C@H](C)Nc1ccc(F)cc1Br ZINC000020430278 171195281 /nfs/dbraw/zinc/19/52/81/171195281.db2.gz IPIWPPKHCPVPSL-JTQLQIEISA-N 0 0 288.204 4.969 10 0 CJAERN CC(C)CC[C@@H](C)Nc1ccc(F)cc1Br ZINC000020430360 171195308 /nfs/dbraw/zinc/19/53/08/171195308.db2.gz TUQSDFXKUXDWEG-SNVBAGLBSA-N 0 0 288.204 4.825 10 0 CJAERN CC(C)CC[C@H](C)Nc1ccc(F)cc1Br ZINC000020430361 171195346 /nfs/dbraw/zinc/19/53/46/171195346.db2.gz TUQSDFXKUXDWEG-JTQLQIEISA-N 0 0 288.204 4.825 10 0 CJAERN CCCC(CCC)Nc1ccc(F)cc1Br ZINC000020430363 171195111 /nfs/dbraw/zinc/19/51/11/171195111.db2.gz LNTNNHWCNIAFDZ-UHFFFAOYSA-N 0 0 288.204 4.969 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc(F)cc2Br)o1 ZINC000020430497 171195578 /nfs/dbraw/zinc/19/55/78/171195578.db2.gz WDAFFHASYYSEEK-SECBINFHSA-N 0 0 298.155 4.663 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc(F)cc2Br)o1 ZINC000020430498 171195421 /nfs/dbraw/zinc/19/54/21/171195421.db2.gz WDAFFHASYYSEEK-VIFPVBQESA-N 0 0 298.155 4.663 10 0 CJAERN C[C@@H](Nc1ccc(F)cc1Br)c1ccccc1 ZINC000020430552 171195516 /nfs/dbraw/zinc/19/55/16/171195516.db2.gz TVXNKKNIEVUUKE-SNVBAGLBSA-N 0 0 294.167 4.761 10 0 CJAERN C[C@H](Nc1ccc(F)cc1Br)c1ccccc1 ZINC000020430553 171195701 /nfs/dbraw/zinc/19/57/01/171195701.db2.gz TVXNKKNIEVUUKE-JTQLQIEISA-N 0 0 294.167 4.761 10 0 CJAERN Fc1ccc(NCC2CCCCC2)c(Br)c1 ZINC000020430579 171195718 /nfs/dbraw/zinc/19/57/18/171195718.db2.gz OXHIXCJSKUFIHJ-UHFFFAOYSA-N 0 0 286.188 4.580 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2ccc(F)cc2Br)C1 ZINC000020430593 171195423 /nfs/dbraw/zinc/19/54/23/171195423.db2.gz PHOCKGWMCOBRPM-MWLCHTKSSA-N 0 0 286.188 4.579 10 0 CJAERN C[C@H]1CCC[C@@H](Nc2ccc(F)cc2Br)C1 ZINC000020430594 171195691 /nfs/dbraw/zinc/19/56/91/171195691.db2.gz PHOCKGWMCOBRPM-GXSJLCMTSA-N 0 0 286.188 4.579 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2ccc(F)cc2Br)C1 ZINC000020430595 171195758 /nfs/dbraw/zinc/19/57/58/171195758.db2.gz PHOCKGWMCOBRPM-KOLCDFICSA-N 0 0 286.188 4.579 10 0 CJAERN C[C@H]1CCC[C@H](Nc2ccc(F)cc2Br)C1 ZINC000020430596 171195462 /nfs/dbraw/zinc/19/54/62/171195462.db2.gz PHOCKGWMCOBRPM-ONGXEEELSA-N 0 0 286.188 4.579 10 0 CJAERN C[C@@H]1CCCC[C@@H]1Nc1ccc(F)cc1Br ZINC000020430601 171195398 /nfs/dbraw/zinc/19/53/98/171195398.db2.gz JWXBTFGCSWTBTH-SKDRFNHKSA-N 0 0 286.188 4.579 10 0 CJAERN C[C@H]1CCCC[C@@H]1Nc1ccc(F)cc1Br ZINC000020430602 171195746 /nfs/dbraw/zinc/19/57/46/171195746.db2.gz JWXBTFGCSWTBTH-CABZTGNLSA-N 0 0 286.188 4.579 10 0 CJAERN C[C@@H]1CCCC[C@H]1Nc1ccc(F)cc1Br ZINC000020430603 171195496 /nfs/dbraw/zinc/19/54/96/171195496.db2.gz JWXBTFGCSWTBTH-BXKDBHETSA-N 0 0 286.188 4.579 10 0 CJAERN C[C@H]1CCCC[C@H]1Nc1ccc(F)cc1Br ZINC000020430604 171195763 /nfs/dbraw/zinc/19/57/63/171195763.db2.gz JWXBTFGCSWTBTH-JOYOIKCWSA-N 0 0 286.188 4.579 10 0 CJAERN Fc1ccc(NC2CCCCCC2)c(Br)c1 ZINC000020430613 171195596 /nfs/dbraw/zinc/19/55/96/171195596.db2.gz TVBLUPCWTAAOFS-UHFFFAOYSA-N 0 0 286.188 4.723 10 0 CJAERN CC1CCC(Nc2ccc(F)cc2Br)CC1 ZINC000020430614 171195756 /nfs/dbraw/zinc/19/57/56/171195756.db2.gz OLIVNWHLPFGGLS-UHFFFAOYSA-N 0 0 286.188 4.579 10 0 CJAERN Cc1cccc(CNc2ccc(F)cc2Br)c1 ZINC000020430620 171195687 /nfs/dbraw/zinc/19/56/87/171195687.db2.gz AGKCBBOWIGXMNS-UHFFFAOYSA-N 0 0 294.167 4.509 10 0 CJAERN Cc1ccc(CNc2ccc(F)cc2Br)cc1 ZINC000020430622 171195634 /nfs/dbraw/zinc/19/56/34/171195634.db2.gz WKWPZMPOEFGRHV-UHFFFAOYSA-N 0 0 294.167 4.509 10 0 CJAERN Cc1ccccc1CNc1ccc(F)cc1Br ZINC000020430623 171195629 /nfs/dbraw/zinc/19/56/29/171195629.db2.gz YZDSELNJSAGUSI-UHFFFAOYSA-N 0 0 294.167 4.509 10 0 CJAERN Cc1cc(-c2nnc(Cl)c3ccccc32)c(C)s1 ZINC000020431560 184535727 /nfs/dbraw/zinc/53/57/27/184535727.db2.gz ZBALHLAEDNJUFD-UHFFFAOYSA-N 0 0 274.776 4.629 10 0 CJAERN Oc1cccc(-c2nc(-c3ccccc3Cl)cs2)c1 ZINC000020433008 171198074 /nfs/dbraw/zinc/19/80/74/171198074.db2.gz OAJRZFDOIHJEHO-UHFFFAOYSA-N 0 0 287.771 4.836 10 0 CJAERN CC(C)Oc1ccc(-c2nnc(Cl)c3ccccc32)cc1 ZINC000020434910 171200903 /nfs/dbraw/zinc/20/09/03/171200903.db2.gz CNESWCIYHHXQPX-UHFFFAOYSA-N 0 0 298.773 4.737 10 0 CJAERN Cc1cc(Oc2cccc(Cl)c2CO)ccc1Cl ZINC000020435089 171200778 /nfs/dbraw/zinc/20/07/78/171200778.db2.gz UBOFXJFFFFZZTM-UHFFFAOYSA-N 0 0 283.154 4.586 10 0 CJAERN CC(C)c1ccc(Oc2cccc(Cl)c2CO)cc1 ZINC000020435306 171201222 /nfs/dbraw/zinc/20/12/22/171201222.db2.gz WEYHWERAPGJDME-UHFFFAOYSA-N 0 0 276.763 4.748 10 0 CJAERN Cc1cc(Cl)ccc1Oc1cccc(Cl)c1CO ZINC000020435431 171201320 /nfs/dbraw/zinc/20/13/20/171201320.db2.gz RRQXRFOCHMOTOL-UHFFFAOYSA-N 0 0 283.154 4.586 10 0 CJAERN Cc1cc(C)c(C)c(Oc2cccc(Cl)c2CO)c1 ZINC000020435476 171201567 /nfs/dbraw/zinc/20/15/67/171201567.db2.gz PNYVACHAQYSGCS-UHFFFAOYSA-N 0 0 276.763 4.550 10 0 CJAERN Cc1cc([C@@H](C)Nc2ccccc2Br)c(C)o1 ZINC000020438204 171203104 /nfs/dbraw/zinc/20/31/04/171203104.db2.gz MNONIXYSCPTSPU-SNVBAGLBSA-N 0 0 294.192 4.832 10 0 CJAERN Cc1cc([C@H](C)Nc2ccccc2Br)c(C)o1 ZINC000020438209 171203286 /nfs/dbraw/zinc/20/32/86/171203286.db2.gz MNONIXYSCPTSPU-JTQLQIEISA-N 0 0 294.192 4.832 10 0 CJAERN Cc1cc([C@@H](C)Nc2ccc(Br)cc2)c(C)o1 ZINC000020438212 171203564 /nfs/dbraw/zinc/20/35/64/171203564.db2.gz XWKDFAPILQCGCF-SNVBAGLBSA-N 0 0 294.192 4.832 10 0 CJAERN Cc1cc([C@H](C)Nc2ccc(Br)cc2)c(C)o1 ZINC000020438216 171202674 /nfs/dbraw/zinc/20/26/74/171202674.db2.gz XWKDFAPILQCGCF-JTQLQIEISA-N 0 0 294.192 4.832 10 0 CJAERN Cc1cc([C@@H](C)Nc2cccc(Br)c2)c(C)o1 ZINC000020438220 171202923 /nfs/dbraw/zinc/20/29/23/171202923.db2.gz AVGRAJSNVKXDPZ-SNVBAGLBSA-N 0 0 294.192 4.832 10 0 CJAERN Cc1cc([C@H](C)Nc2cccc(Br)c2)c(C)o1 ZINC000020438224 171202932 /nfs/dbraw/zinc/20/29/32/171202932.db2.gz AVGRAJSNVKXDPZ-JTQLQIEISA-N 0 0 294.192 4.832 10 0 CJAERN Cc1cc([C@@H](C)Nc2ccc3[nH]ccc3c2)c(C)o1 ZINC000020438966 171203126 /nfs/dbraw/zinc/20/31/26/171203126.db2.gz MWKNVRTZKIQSFD-LLVKDONJSA-N 0 0 254.333 4.551 10 0 CJAERN Cc1cc([C@H](C)Nc2ccc3[nH]ccc3c2)c(C)o1 ZINC000020438970 171203337 /nfs/dbraw/zinc/20/33/37/171203337.db2.gz MWKNVRTZKIQSFD-NSHDSACASA-N 0 0 254.333 4.551 10 0 CJAERN Cc1cc([C@@H](C)Nc2ccc(F)c(Cl)c2)c(C)o1 ZINC000020439548 171204452 /nfs/dbraw/zinc/20/44/52/171204452.db2.gz CTWLILFHKNRMIX-SECBINFHSA-N 0 0 267.731 4.862 10 0 CJAERN Cc1cc([C@H](C)Nc2ccc(F)c(Cl)c2)c(C)o1 ZINC000020439552 171204408 /nfs/dbraw/zinc/20/44/08/171204408.db2.gz CTWLILFHKNRMIX-VIFPVBQESA-N 0 0 267.731 4.862 10 0 CJAERN CCCCCNc1c(Cl)cccc1C(F)(F)F ZINC000020442480 171205207 /nfs/dbraw/zinc/20/52/07/171205207.db2.gz RANGFBRXGXDFNA-UHFFFAOYSA-N 0 0 265.706 4.961 10 0 CJAERN CC[C@@H](C)CNc1c(Cl)cccc1C(F)(F)F ZINC000020442519 171205031 /nfs/dbraw/zinc/20/50/31/171205031.db2.gz XDILOUJOIONPBH-MRVPVSSYSA-N 0 0 265.706 4.817 10 0 CJAERN CC[C@H](C)CNc1c(Cl)cccc1C(F)(F)F ZINC000020442524 171204948 /nfs/dbraw/zinc/20/49/48/171204948.db2.gz XDILOUJOIONPBH-QMMMGPOBSA-N 0 0 265.706 4.817 10 0 CJAERN CSCCCNc1c(Cl)cccc1C(F)(F)F ZINC000020442534 171204843 /nfs/dbraw/zinc/20/48/43/171204843.db2.gz PRFOWKVGLSKNOH-UHFFFAOYSA-N 0 0 283.746 4.524 10 0 CJAERN CCC[C@@H](C)Nc1c(Cl)cccc1C(F)(F)F ZINC000020442587 171205141 /nfs/dbraw/zinc/20/51/41/171205141.db2.gz DJERWEIBWUFRKX-MRVPVSSYSA-N 0 0 265.706 4.959 10 0 CJAERN CCC[C@H](C)Nc1c(Cl)cccc1C(F)(F)F ZINC000020442592 171205384 /nfs/dbraw/zinc/20/53/84/171205384.db2.gz DJERWEIBWUFRKX-QMMMGPOBSA-N 0 0 265.706 4.959 10 0 CJAERN CC[C@@H](C)Nc1c(Cl)cccc1C(F)(F)F ZINC000020442612 171204761 /nfs/dbraw/zinc/20/47/61/171204761.db2.gz OADIUJAERHIDJM-SSDOTTSWSA-N 0 0 251.679 4.569 10 0 CJAERN CC[C@H](C)Nc1c(Cl)cccc1C(F)(F)F ZINC000020442615 171204640 /nfs/dbraw/zinc/20/46/40/171204640.db2.gz OADIUJAERHIDJM-ZETCQYMHSA-N 0 0 251.679 4.569 10 0 CJAERN FC(F)(F)c1cccc(Cl)c1NCc1ccccc1 ZINC000020442628 171205903 /nfs/dbraw/zinc/20/59/03/171205903.db2.gz WFOIGNPQYYOETO-UHFFFAOYSA-N 0 0 285.696 4.971 10 0 CJAERN CCCCNc1c(Cl)cccc1C(F)(F)F ZINC000020442648 171205760 /nfs/dbraw/zinc/20/57/60/171205760.db2.gz HIQUUOUFVUZCNH-UHFFFAOYSA-N 0 0 251.679 4.571 10 0 CJAERN CC(C)[C@@H](C)Nc1c(Cl)cccc1C(F)(F)F ZINC000020442706 171205841 /nfs/dbraw/zinc/20/58/41/171205841.db2.gz VWWCSROXUVQSLA-MRVPVSSYSA-N 0 0 265.706 4.815 10 0 CJAERN CC(C)[C@H](C)Nc1c(Cl)cccc1C(F)(F)F ZINC000020442711 171205865 /nfs/dbraw/zinc/20/58/65/171205865.db2.gz VWWCSROXUVQSLA-QMMMGPOBSA-N 0 0 265.706 4.815 10 0 CJAERN C[C@@H](Nc1c(Cl)cccc1C(F)(F)F)C1CC1 ZINC000020442745 171205647 /nfs/dbraw/zinc/20/56/47/171205647.db2.gz HDILGYVPWBMNDH-SSDOTTSWSA-N 0 0 263.690 4.569 10 0 CJAERN C[C@H](Nc1c(Cl)cccc1C(F)(F)F)C1CC1 ZINC000020442749 171205551 /nfs/dbraw/zinc/20/55/51/171205551.db2.gz HDILGYVPWBMNDH-ZETCQYMHSA-N 0 0 263.690 4.569 10 0 CJAERN CCC(CC)Nc1c(Cl)cccc1C(F)(F)F ZINC000020442769 171205635 /nfs/dbraw/zinc/20/56/35/171205635.db2.gz CJTQTDASKQRAQB-UHFFFAOYSA-N 0 0 265.706 4.959 10 0 CJAERN CC(C)CCNc1c(Cl)cccc1C(F)(F)F ZINC000020442905 171205742 /nfs/dbraw/zinc/20/57/42/171205742.db2.gz YTGNHCYEHDXGFG-UHFFFAOYSA-N 0 0 265.706 4.817 10 0 CJAERN FC(F)(F)c1cccc(Cl)c1NCc1ccco1 ZINC000020442939 171205844 /nfs/dbraw/zinc/20/58/44/171205844.db2.gz BPMLIBCWXPSLFN-UHFFFAOYSA-N 0 0 275.657 4.564 10 0 CJAERN FC(F)(F)c1cccc(Cl)c1NC1CCCC1 ZINC000020443029 171205519 /nfs/dbraw/zinc/20/55/19/171205519.db2.gz SWXXOKZUKIMEEB-UHFFFAOYSA-N 0 0 263.690 4.713 10 0 CJAERN Cc1ccc(NCc2cc(C)c(O)c(C)c2)c(Cl)c1 ZINC000020471007 171213738 /nfs/dbraw/zinc/21/37/38/171213738.db2.gz WGGNWKLGGGHLEN-UHFFFAOYSA-N 0 0 275.779 4.583 10 0 CJAERN Cc1ccc(CNc2ccc(C)cc2Cl)s1 ZINC000020471068 171213722 /nfs/dbraw/zinc/21/37/22/171213722.db2.gz GWQVIEONTUMJFN-UHFFFAOYSA-N 0 0 251.782 4.630 10 0 CJAERN Cc1ccc(NC[C@H](C)c2ccccc2)c(Cl)c1 ZINC000020471069 171213810 /nfs/dbraw/zinc/21/38/10/171213810.db2.gz XHNUIYDYXBKNGB-ZDUSSCGKSA-N 0 0 259.780 4.864 10 0 CJAERN Cc1ccc(NC[C@@H](C)c2ccccc2)c(Cl)c1 ZINC000020471070 171213759 /nfs/dbraw/zinc/21/37/59/171213759.db2.gz XHNUIYDYXBKNGB-CYBMUJFWSA-N 0 0 259.780 4.864 10 0 CJAERN Cc1ccc(N[C@H](C)c2cccc(F)c2)c(Cl)c1 ZINC000020471124 171213799 /nfs/dbraw/zinc/21/37/99/171213799.db2.gz BHILMAMIDDCMSE-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(N[C@@H](C)c2cccc(F)c2)c(Cl)c1 ZINC000020471125 171213775 /nfs/dbraw/zinc/21/37/75/171213775.db2.gz BHILMAMIDDCMSE-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(N[C@H](C)c2cccc(O)c2)c(Cl)c1 ZINC000020471189 171213814 /nfs/dbraw/zinc/21/38/14/171213814.db2.gz AEWOQWXCOOTQAK-LLVKDONJSA-N 0 0 261.752 4.527 10 0 CJAERN Cc1ccc(N[C@@H](C)c2cccc(O)c2)c(Cl)c1 ZINC000020471190 171213758 /nfs/dbraw/zinc/21/37/58/171213758.db2.gz AEWOQWXCOOTQAK-NSHDSACASA-N 0 0 261.752 4.527 10 0 CJAERN COc1cccc([C@@H](C)Nc2ccc(C)cc2Cl)c1 ZINC000020471235 171213669 /nfs/dbraw/zinc/21/36/69/171213669.db2.gz POYZTVGMKRXGFC-GFCCVEGCSA-N 0 0 275.779 4.830 10 0 CJAERN COc1cccc([C@H](C)Nc2ccc(C)cc2Cl)c1 ZINC000020471236 171213496 /nfs/dbraw/zinc/21/34/96/171213496.db2.gz POYZTVGMKRXGFC-LBPRGKRZSA-N 0 0 275.779 4.830 10 0 CJAERN Cc1ccc(N[C@@H]2CCc3ccccc32)c(Cl)c1 ZINC000020471239 171213663 /nfs/dbraw/zinc/21/36/63/171213663.db2.gz OVSJYSQXBAFETF-OAHLLOKOSA-N 0 0 257.764 4.748 10 0 CJAERN Cc1ccc(N[C@H]2CCc3ccccc32)c(Cl)c1 ZINC000020471240 171213584 /nfs/dbraw/zinc/21/35/84/171213584.db2.gz OVSJYSQXBAFETF-HNNXBMFYSA-N 0 0 257.764 4.748 10 0 CJAERN Cc1ccc(N[C@H](C)c2ccccc2F)c(Cl)c1 ZINC000020471255 171213716 /nfs/dbraw/zinc/21/37/16/171213716.db2.gz PSCABLWWGOKEKG-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(N[C@@H](C)c2ccccc2F)c(Cl)c1 ZINC000020471256 171213552 /nfs/dbraw/zinc/21/35/52/171213552.db2.gz PSCABLWWGOKEKG-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(N[C@H](C)c2cccs2)c(Cl)c1 ZINC000020471260 171213649 /nfs/dbraw/zinc/21/36/49/171213649.db2.gz UHNUWESNEILEOA-SNVBAGLBSA-N 0 0 251.782 4.883 10 0 CJAERN Cc1ccc(N[C@@H](C)c2cccs2)c(Cl)c1 ZINC000020471261 171213747 /nfs/dbraw/zinc/21/37/47/171213747.db2.gz UHNUWESNEILEOA-JTQLQIEISA-N 0 0 251.782 4.883 10 0 CJAERN COc1ccccc1[C@@H](C)Nc1ccc(C)cc1Cl ZINC000020471278 171213598 /nfs/dbraw/zinc/21/35/98/171213598.db2.gz MGAJKXAMJKVXMP-GFCCVEGCSA-N 0 0 275.779 4.830 10 0 CJAERN COc1ccccc1[C@H](C)Nc1ccc(C)cc1Cl ZINC000020471279 171213617 /nfs/dbraw/zinc/21/36/17/171213617.db2.gz MGAJKXAMJKVXMP-LBPRGKRZSA-N 0 0 275.779 4.830 10 0 CJAERN Cc1ccc(N[C@H](C)c2ccc(O)cc2)c(Cl)c1 ZINC000020471282 171213752 /nfs/dbraw/zinc/21/37/52/171213752.db2.gz TWYXNIUSOUMBKU-LLVKDONJSA-N 0 0 261.752 4.527 10 0 CJAERN Cc1ccc(N[C@@H](C)c2ccc(O)cc2)c(Cl)c1 ZINC000020471283 171213652 /nfs/dbraw/zinc/21/36/52/171213652.db2.gz TWYXNIUSOUMBKU-NSHDSACASA-N 0 0 261.752 4.527 10 0 CJAERN Cc1ccc(NCc2ccc([C@H]3C[C@H]3C)o2)c(Cl)c1 ZINC000020471303 171213815 /nfs/dbraw/zinc/21/38/15/171213815.db2.gz UQHNQMJAQBMJMX-YPMHNXCESA-N 0 0 275.779 4.977 10 0 CJAERN Cc1ccc(NCc2ccc([C@H]3C[C@@H]3C)o2)c(Cl)c1 ZINC000020471304 171213538 /nfs/dbraw/zinc/21/35/38/171213538.db2.gz UQHNQMJAQBMJMX-AAEUAGOBSA-N 0 0 275.779 4.977 10 0 CJAERN Cc1ccc(NCc2ccc([C@@H]3C[C@H]3C)o2)c(Cl)c1 ZINC000020471305 171213686 /nfs/dbraw/zinc/21/36/86/171213686.db2.gz UQHNQMJAQBMJMX-DGCLKSJQSA-N 0 0 275.779 4.977 10 0 CJAERN Cc1ccc(NCc2ccc([C@@H]3C[C@@H]3C)o2)c(Cl)c1 ZINC000020471306 171213732 /nfs/dbraw/zinc/21/37/32/171213732.db2.gz UQHNQMJAQBMJMX-WCQYABFASA-N 0 0 275.779 4.977 10 0 CJAERN Cc1ccsc1CNc1ccc(C)cc1Cl ZINC000020471315 171214168 /nfs/dbraw/zinc/21/41/68/171214168.db2.gz LPRZYRSMKAREAA-UHFFFAOYSA-N 0 0 251.782 4.630 10 0 CJAERN Cc1ccc(NC2[C@H](C)CCC[C@H]2C)c(Cl)c1 ZINC000020471320 171214213 /nfs/dbraw/zinc/21/42/13/171214213.db2.gz PLPSEIXXAXRQFP-VXGBXAGGSA-N 0 0 251.801 4.885 10 0 CJAERN Cc1ccc(NC2[C@@H](C)CCC[C@@H]2C)c(Cl)c1 ZINC000020471322 171214170 /nfs/dbraw/zinc/21/41/70/171214170.db2.gz PLPSEIXXAXRQFP-RYUDHWBXSA-N 0 0 251.801 4.885 10 0 CJAERN Cc1ccc(NCc2c(F)cccc2F)c(Cl)c1 ZINC000020471341 171214165 /nfs/dbraw/zinc/21/41/65/171214165.db2.gz LGLUIDKDLYVTOV-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN CCc1ccc(CNc2ccc(C)cc2Cl)cc1 ZINC000020471343 171214100 /nfs/dbraw/zinc/21/41/00/171214100.db2.gz JJGGBGAIPFJFCW-UHFFFAOYSA-N 0 0 259.780 4.823 10 0 CJAERN Cc1ccc(NCc2ccc(F)cc2F)c(Cl)c1 ZINC000020471347 171214044 /nfs/dbraw/zinc/21/40/44/171214044.db2.gz KSELFPCHLFARJS-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1ccc(CNc2ccc(C)cc2Cl)c(C)c1 ZINC000020471354 171214129 /nfs/dbraw/zinc/21/41/29/171214129.db2.gz BHCTXQYASURMJP-UHFFFAOYSA-N 0 0 259.780 4.877 10 0 CJAERN CCc1ccc(CNc2ccc(C)cc2Cl)s1 ZINC000020471371 171214069 /nfs/dbraw/zinc/21/40/69/171214069.db2.gz DSRNFCSPWCRYGA-UHFFFAOYSA-N 0 0 265.809 4.884 10 0 CJAERN Cc1ccc(F)c(N[C@H](C)c2cc(F)ccc2F)c1 ZINC000020471657 171214552 /nfs/dbraw/zinc/21/45/52/171214552.db2.gz URLILLHVQGSZJT-SNVBAGLBSA-N 0 0 265.278 4.585 10 0 CJAERN Cc1ccc(F)c(N[C@@H](C)c2cc(F)ccc2F)c1 ZINC000020471658 171214546 /nfs/dbraw/zinc/21/45/46/171214546.db2.gz URLILLHVQGSZJT-JTQLQIEISA-N 0 0 265.278 4.585 10 0 CJAERN Cc1ccc(F)c(N[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000020471678 171214659 /nfs/dbraw/zinc/21/46/59/171214659.db2.gz OEUUYOCWYWIWCV-SNVBAGLBSA-N 0 0 265.278 4.585 10 0 CJAERN Cc1ccc(F)c(N[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000020471679 171214521 /nfs/dbraw/zinc/21/45/21/171214521.db2.gz OEUUYOCWYWIWCV-JTQLQIEISA-N 0 0 265.278 4.585 10 0 CJAERN Cc1ccc(F)c(N[C@H](C)c2cc(C)ccc2C)c1 ZINC000020471682 171214638 /nfs/dbraw/zinc/21/46/38/171214638.db2.gz JPDDGDACXDBOMX-CQSZACIVSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1ccc(F)c(N[C@@H](C)c2cc(C)ccc2C)c1 ZINC000020471683 171214629 /nfs/dbraw/zinc/21/46/29/171214629.db2.gz JPDDGDACXDBOMX-AWEZNQCLSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1ccc([C@@H](C)Nc2cc(C)ccc2F)c(C)c1 ZINC000020471688 171214627 /nfs/dbraw/zinc/21/46/27/171214627.db2.gz BBNHCTVBWNKOFF-CQSZACIVSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1ccc([C@H](C)Nc2cc(C)ccc2F)c(C)c1 ZINC000020471689 171214622 /nfs/dbraw/zinc/21/46/22/171214622.db2.gz BBNHCTVBWNKOFF-AWEZNQCLSA-N 0 0 257.352 4.924 10 0 CJAERN CC[C@@H](Nc1cc(C)ccc1F)c1ccc(F)cc1 ZINC000020471722 171214469 /nfs/dbraw/zinc/21/44/69/171214469.db2.gz XCHVERXLNJCJKS-OAHLLOKOSA-N 0 0 261.315 4.836 10 0 CJAERN CC[C@H](Nc1cc(C)ccc1F)c1ccc(F)cc1 ZINC000020471723 171214573 /nfs/dbraw/zinc/21/45/73/171214573.db2.gz XCHVERXLNJCJKS-HNNXBMFYSA-N 0 0 261.315 4.836 10 0 CJAERN Cc1ccc(F)c(N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000020471775 171214791 /nfs/dbraw/zinc/21/47/91/171214791.db2.gz LPXLAHTUUDOVNE-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(F)c(N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000020471776 171214520 /nfs/dbraw/zinc/21/45/20/171214520.db2.gz LPXLAHTUUDOVNE-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(F)c(N[C@@H](C)CCc2ccccc2)c1 ZINC000020471789 171214743 /nfs/dbraw/zinc/21/47/43/171214743.db2.gz AYPPTUWUXJHELZ-AWEZNQCLSA-N 0 0 257.352 4.567 10 0 CJAERN Cc1ccc(F)c(N[C@H](C)CCc2ccccc2)c1 ZINC000020471790 171214470 /nfs/dbraw/zinc/21/44/70/171214470.db2.gz AYPPTUWUXJHELZ-CQSZACIVSA-N 0 0 257.352 4.567 10 0 CJAERN Cc1ccc(F)c(NCc2c(C)cc(C)cc2C)c1 ZINC000020471846 171214477 /nfs/dbraw/zinc/21/44/77/171214477.db2.gz XLYGCPVDTCIISF-UHFFFAOYSA-N 0 0 257.352 4.671 10 0 CJAERN Cc1cc([C@@H](C)Nc2cccc(Cl)c2F)c(C)o1 ZINC000020472049 171214938 /nfs/dbraw/zinc/21/49/38/171214938.db2.gz IKWBICBZWPYQRF-SECBINFHSA-N 0 0 267.731 4.862 10 0 CJAERN Cc1cc([C@H](C)Nc2cccc(Cl)c2F)c(C)o1 ZINC000020472050 171214952 /nfs/dbraw/zinc/21/49/52/171214952.db2.gz IKWBICBZWPYQRF-VIFPVBQESA-N 0 0 267.731 4.862 10 0 CJAERN Cc1nc([C@@H](C)Nc2cccc(Cl)c2F)c(C)s1 ZINC000020472053 171215195 /nfs/dbraw/zinc/21/51/95/171215195.db2.gz BEPAVRZEMMBXML-SSDOTTSWSA-N 0 0 284.787 4.726 10 0 CJAERN Cc1nc([C@H](C)Nc2cccc(Cl)c2F)c(C)s1 ZINC000020472054 171215274 /nfs/dbraw/zinc/21/52/74/171215274.db2.gz BEPAVRZEMMBXML-ZETCQYMHSA-N 0 0 284.787 4.726 10 0 CJAERN Fc1c(Cl)cccc1NCc1cc2ccccc2o1 ZINC000020472111 171214946 /nfs/dbraw/zinc/21/49/46/171214946.db2.gz ZRKMQCVJKUQZKP-UHFFFAOYSA-N 0 0 275.710 4.837 10 0 CJAERN C[C@@H](CNc1cccc(Cl)c1F)c1ccccc1 ZINC000020472113 171215079 /nfs/dbraw/zinc/21/50/79/171215079.db2.gz AZVDSTYJGVTPMP-NSHDSACASA-N 0 0 263.743 4.695 10 0 CJAERN C[C@H](CNc1cccc(Cl)c1F)c1ccccc1 ZINC000020472114 171215239 /nfs/dbraw/zinc/21/52/39/171215239.db2.gz AZVDSTYJGVTPMP-LLVKDONJSA-N 0 0 263.743 4.695 10 0 CJAERN C[C@@H](Nc1cccc(Cl)c1F)c1cccc(F)c1 ZINC000020472188 171215367 /nfs/dbraw/zinc/21/53/67/171215367.db2.gz FKJXMOUIFVAAHH-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1cccc(Cl)c1F)c1cccc(F)c1 ZINC000020472189 171215230 /nfs/dbraw/zinc/21/52/30/171215230.db2.gz FKJXMOUIFVAAHH-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN C[C@@H](Nc1cccc(Cl)c1F)c1ccc(F)cc1F ZINC000020472252 171215105 /nfs/dbraw/zinc/21/51/05/171215105.db2.gz ZUUZXVRHUZUVRC-MRVPVSSYSA-N 0 0 285.696 4.930 10 0 CJAERN C[C@H](Nc1cccc(Cl)c1F)c1ccc(F)cc1F ZINC000020472253 171215328 /nfs/dbraw/zinc/21/53/28/171215328.db2.gz ZUUZXVRHUZUVRC-QMMMGPOBSA-N 0 0 285.696 4.930 10 0 CJAERN Cc1ccccc1[C@@H](C)Nc1cccc(Cl)c1F ZINC000020472270 171215113 /nfs/dbraw/zinc/21/51/13/171215113.db2.gz VUOYVHITHDVYON-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccccc1[C@H](C)Nc1cccc(Cl)c1F ZINC000020472271 171215242 /nfs/dbraw/zinc/21/52/42/171215242.db2.gz VUOYVHITHDVYON-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN COc1cccc([C@@H](C)Nc2cccc(Cl)c2F)c1 ZINC000020472334 171215317 /nfs/dbraw/zinc/21/53/17/171215317.db2.gz WGISWCICWBJYEX-SNVBAGLBSA-N 0 0 279.742 4.661 10 0 CJAERN COc1cccc([C@H](C)Nc2cccc(Cl)c2F)c1 ZINC000020472335 171215028 /nfs/dbraw/zinc/21/50/28/171215028.db2.gz WGISWCICWBJYEX-JTQLQIEISA-N 0 0 279.742 4.661 10 0 CJAERN Cc1ccc([C@@H](C)Nc2cccc(Cl)c2F)o1 ZINC000020472337 171214979 /nfs/dbraw/zinc/21/49/79/171214979.db2.gz UIBPLAMXNIGGST-SECBINFHSA-N 0 0 253.704 4.554 10 0 CJAERN Cc1ccc([C@H](C)Nc2cccc(Cl)c2F)o1 ZINC000020472338 171215118 /nfs/dbraw/zinc/21/51/18/171215118.db2.gz UIBPLAMXNIGGST-VIFPVBQESA-N 0 0 253.704 4.554 10 0 CJAERN Fc1c(Cl)cccc1N[C@@H]1CCc2ccccc21 ZINC000020472339 171215382 /nfs/dbraw/zinc/21/53/82/171215382.db2.gz ILCIRGQRIFRQAI-CYBMUJFWSA-N 0 0 261.727 4.579 10 0 CJAERN Fc1c(Cl)cccc1N[C@H]1CCc2ccccc21 ZINC000020472340 171215340 /nfs/dbraw/zinc/21/53/40/171215340.db2.gz ILCIRGQRIFRQAI-ZDUSSCGKSA-N 0 0 261.727 4.579 10 0 CJAERN C[C@@H](Nc1cccc(Cl)c1F)c1cccs1 ZINC000020472361 171215388 /nfs/dbraw/zinc/21/53/88/171215388.db2.gz VJJMMHAKBHBUOT-MRVPVSSYSA-N 0 0 255.745 4.714 10 0 CJAERN C[C@H](Nc1cccc(Cl)c1F)c1cccs1 ZINC000020472362 171215198 /nfs/dbraw/zinc/21/51/98/171215198.db2.gz VJJMMHAKBHBUOT-QMMMGPOBSA-N 0 0 255.745 4.714 10 0 CJAERN Cc1ccc([C@@H](C)Nc2cccc(Cl)c2F)cc1 ZINC000020472389 171215308 /nfs/dbraw/zinc/21/53/08/171215308.db2.gz LVSWXYFIDSFTGT-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc([C@H](C)Nc2cccc(Cl)c2F)cc1 ZINC000020472390 171215091 /nfs/dbraw/zinc/21/50/91/171215091.db2.gz LVSWXYFIDSFTGT-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN C[C@@H]1C[C@@H]1c1ccc(CNc2cccc(Cl)c2F)o1 ZINC000020472407 171214935 /nfs/dbraw/zinc/21/49/35/171214935.db2.gz LNBQGLXCIDPSPX-KOLCDFICSA-N 0 0 279.742 4.808 10 0 CJAERN C[C@H]1C[C@@H]1c1ccc(CNc2cccc(Cl)c2F)o1 ZINC000020472409 171215121 /nfs/dbraw/zinc/21/51/21/171215121.db2.gz LNBQGLXCIDPSPX-ONGXEEELSA-N 0 0 279.742 4.808 10 0 CJAERN C[C@H]1C[C@H]1c1ccc(CNc2cccc(Cl)c2F)o1 ZINC000020472412 171215012 /nfs/dbraw/zinc/21/50/12/171215012.db2.gz LNBQGLXCIDPSPX-GXSJLCMTSA-N 0 0 279.742 4.808 10 0 CJAERN C[C@@H]1CCC[C@@H](C)C1Nc1cccc(Cl)c1F ZINC000020472435 171215599 /nfs/dbraw/zinc/21/55/99/171215599.db2.gz VCIULDFXPXTYAR-NXEZZACHSA-N 0 0 255.764 4.716 10 0 CJAERN C[C@H]1CCC[C@H](C)C1Nc1cccc(Cl)c1F ZINC000020472439 171215577 /nfs/dbraw/zinc/21/55/77/171215577.db2.gz VCIULDFXPXTYAR-UWVGGRQHSA-N 0 0 255.764 4.716 10 0 CJAERN CCC1CCC(Nc2cccc(Cl)c2F)CC1 ZINC000020472462 171215434 /nfs/dbraw/zinc/21/54/34/171215434.db2.gz LBVXAUJFSRYMDW-UHFFFAOYSA-N 0 0 255.764 4.860 10 0 CJAERN CCc1ccc(CNc2cccc(Cl)c2F)cc1 ZINC000020472472 171215956 /nfs/dbraw/zinc/21/59/56/171215956.db2.gz YUFWKBZFONMURC-UHFFFAOYSA-N 0 0 263.743 4.654 10 0 CJAERN Cc1ccc(CNc2cccc(Cl)c2F)c(C)c1 ZINC000020472489 171216038 /nfs/dbraw/zinc/21/60/38/171216038.db2.gz YGJZBZYFVSHSAH-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN CCc1ccc(CNc2cccc(Cl)c2F)s1 ZINC000020472530 171215928 /nfs/dbraw/zinc/21/59/28/171215928.db2.gz YZBLGNJYMPATJM-UHFFFAOYSA-N 0 0 269.772 4.715 10 0 CJAERN CC(C)Oc1ccc(NCc2cccc(Cl)c2)cc1 ZINC000020472809 171215896 /nfs/dbraw/zinc/21/58/96/171215896.db2.gz IYECAGFUXOHCKF-UHFFFAOYSA-N 0 0 275.779 4.739 10 0 CJAERN CC(C)Oc1ccc(NC2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000020472958 171216387 /nfs/dbraw/zinc/21/63/87/171216387.db2.gz BCKLCUJPKMEPCD-KBPBESRZSA-N 0 0 261.409 4.710 10 0 CJAERN CC(C)Oc1ccc(NC2[C@H](C)CCC[C@@H]2C)cc1 ZINC000020472959 171216369 /nfs/dbraw/zinc/21/63/69/171216369.db2.gz BCKLCUJPKMEPCD-VMZNBEPHSA-N 0 0 261.409 4.710 10 0 CJAERN CC(C)Oc1ccc(NC2[C@H](C)CCC[C@H]2C)cc1 ZINC000020472960 171216892 /nfs/dbraw/zinc/21/68/92/171216892.db2.gz BCKLCUJPKMEPCD-ZIAGYGMSSA-N 0 0 261.409 4.710 10 0 CJAERN CC(C)Oc1ccc(NCc2ccc(Cl)cc2)cc1 ZINC000020472999 171216352 /nfs/dbraw/zinc/21/63/52/171216352.db2.gz WVOJGMKGZRTNLQ-UHFFFAOYSA-N 0 0 275.779 4.739 10 0 CJAERN CC(C)Oc1ccc(NCc2ccccc2Cl)cc1 ZINC000020473002 171216672 /nfs/dbraw/zinc/21/66/72/171216672.db2.gz NLGRAKZIGYGKIX-UHFFFAOYSA-N 0 0 275.779 4.739 10 0 CJAERN CCc1ccc(CNc2ccc(OC(C)C)cc2)s1 ZINC000020473092 171216760 /nfs/dbraw/zinc/21/67/60/171216760.db2.gz KJLRNLMXNGIWJK-UHFFFAOYSA-N 0 0 275.417 4.710 10 0 CJAERN C[C@@H](Nc1ccc(N)cc1F)c1ccc(Cl)cc1Cl ZINC000020474827 171218957 /nfs/dbraw/zinc/21/89/57/171218957.db2.gz LJCFBLPOAHHNKH-MRVPVSSYSA-N 0 0 299.176 4.888 10 0 CJAERN C[C@H](Nc1ccc(N)cc1F)c1ccc(Cl)cc1Cl ZINC000020474828 171219244 /nfs/dbraw/zinc/21/92/44/171219244.db2.gz LJCFBLPOAHHNKH-QMMMGPOBSA-N 0 0 299.176 4.888 10 0 CJAERN CC[C@@H](C)c1ccccc1Oc1ccc(N)cc1F ZINC000020474915 171218960 /nfs/dbraw/zinc/21/89/60/171218960.db2.gz CPVMNAFSXZNGQO-LLVKDONJSA-N 0 0 259.324 4.714 10 0 CJAERN CC[C@H](C)c1ccccc1Oc1ccc(N)cc1F ZINC000020474916 171219481 /nfs/dbraw/zinc/21/94/81/171219481.db2.gz CPVMNAFSXZNGQO-NSHDSACASA-N 0 0 259.324 4.714 10 0 CJAERN Nc1ccc(Oc2cccc(Cl)c2Cl)c(F)c1 ZINC000020474952 171219251 /nfs/dbraw/zinc/21/92/51/171219251.db2.gz RBEAUUDGBOFANK-UHFFFAOYSA-N 0 0 272.106 4.507 10 0 CJAERN Nc1ccc(Sc2cc(Cl)ccc2Cl)c(F)c1 ZINC000020474970 171219079 /nfs/dbraw/zinc/21/90/79/171219079.db2.gz MRUPHLNIBCZXKR-UHFFFAOYSA-N 0 0 288.174 4.866 10 0 CJAERN CC(C)c1ccc(Sc2ccc(N)cc2F)cc1 ZINC000020474974 171219345 /nfs/dbraw/zinc/21/93/45/171219345.db2.gz LWPPZBMOAFNZBP-UHFFFAOYSA-N 0 0 261.365 4.683 10 0 CJAERN CCc1ccccc1NCc1cc(Br)cs1 ZINC000020475111 171219418 /nfs/dbraw/zinc/21/94/18/171219418.db2.gz GZWIAASIJSZDDH-UHFFFAOYSA-N 0 0 296.233 4.685 10 0 CJAERN Cc1ccc(C)c(NCc2cc(Br)cs2)c1 ZINC000020475118 171219210 /nfs/dbraw/zinc/21/92/10/171219210.db2.gz PECQDFKTGKNXDN-UHFFFAOYSA-N 0 0 296.233 4.740 10 0 CJAERN CC(C)c1ccc(CSc2ccccc2N)cc1 ZINC000020475729 171220047 /nfs/dbraw/zinc/22/00/47/171220047.db2.gz QJCZGTRKNBHYJL-UHFFFAOYSA-N 0 0 257.402 4.685 10 0 CJAERN Cc1cc([C@@H](C)Nc2c(F)cccc2F)c(C)s1 ZINC000020476000 171219617 /nfs/dbraw/zinc/21/96/17/171219617.db2.gz MFRSTXMHWNQEJT-SECBINFHSA-N 0 0 267.344 4.816 10 0 CJAERN Cc1cc([C@H](C)Nc2c(F)cccc2F)c(C)s1 ZINC000020476001 171219878 /nfs/dbraw/zinc/21/98/78/171219878.db2.gz MFRSTXMHWNQEJT-VIFPVBQESA-N 0 0 267.344 4.816 10 0 CJAERN CC(C)CC(CC(C)C)Nc1c(F)cccc1F ZINC000020476004 171219660 /nfs/dbraw/zinc/21/96/60/171219660.db2.gz BSVCFMHVFKVVCN-UHFFFAOYSA-N 0 0 255.352 4.838 10 0 CJAERN CC[C@@H](Nc1c(F)cccc1F)c1cccs1 ZINC000020476015 171220441 /nfs/dbraw/zinc/22/04/41/171220441.db2.gz GIULIFUPSRNVFQ-LLVKDONJSA-N 0 0 253.317 4.590 10 0 CJAERN CC[C@H](Nc1c(F)cccc1F)c1cccs1 ZINC000020476016 171220192 /nfs/dbraw/zinc/22/01/92/171220192.db2.gz GIULIFUPSRNVFQ-NSHDSACASA-N 0 0 253.317 4.590 10 0 CJAERN CCCC1CCC(Nc2c(F)cccc2F)CC1 ZINC000020476037 171220384 /nfs/dbraw/zinc/22/03/84/171220384.db2.gz UUUPABGWCFDKIY-UHFFFAOYSA-N 0 0 253.336 4.736 10 0 CJAERN Fc1cccc(F)c1NCc1cccc(Cl)c1Cl ZINC000020476066 171220391 /nfs/dbraw/zinc/22/03/91/171220391.db2.gz BEGUTIVQHAUVIE-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Cc1ccc([C@@H](C)Nc2c(F)cccc2F)s1 ZINC000020476073 171220560 /nfs/dbraw/zinc/22/05/60/171220560.db2.gz JXWAFVBPCCLWOV-SECBINFHSA-N 0 0 253.317 4.508 10 0 CJAERN Cc1ccc([C@H](C)Nc2c(F)cccc2F)s1 ZINC000020476074 171220605 /nfs/dbraw/zinc/22/06/05/171220605.db2.gz JXWAFVBPCCLWOV-VIFPVBQESA-N 0 0 253.317 4.508 10 0 CJAERN Cc1ccc([C@@H](C)Nc2c(F)cccc2F)cc1C ZINC000020476089 171220388 /nfs/dbraw/zinc/22/03/88/171220388.db2.gz GHZOUSFFYWOOIQ-GFCCVEGCSA-N 0 0 261.315 4.755 10 0 CJAERN Cc1ccc([C@H](C)Nc2c(F)cccc2F)cc1C ZINC000020476090 171220508 /nfs/dbraw/zinc/22/05/08/171220508.db2.gz GHZOUSFFYWOOIQ-LBPRGKRZSA-N 0 0 261.315 4.755 10 0 CJAERN C[C@@H]1C[C@@H](Nc2c(F)cccc2F)CC(C)(C)C1 ZINC000020476097 171220526 /nfs/dbraw/zinc/22/05/26/171220526.db2.gz VFNLBXKSWNQNHY-GHMZBOCLSA-N 0 0 253.336 4.592 10 0 CJAERN C[C@H]1C[C@@H](Nc2c(F)cccc2F)CC(C)(C)C1 ZINC000020476098 171220397 /nfs/dbraw/zinc/22/03/97/171220397.db2.gz VFNLBXKSWNQNHY-WDEREUQCSA-N 0 0 253.336 4.592 10 0 CJAERN C[C@@H]1C[C@H](Nc2c(F)cccc2F)CC(C)(C)C1 ZINC000020476099 171220363 /nfs/dbraw/zinc/22/03/63/171220363.db2.gz VFNLBXKSWNQNHY-MNOVXSKESA-N 0 0 253.336 4.592 10 0 CJAERN C[C@H]1C[C@H](Nc2c(F)cccc2F)CC(C)(C)C1 ZINC000020476100 171220437 /nfs/dbraw/zinc/22/04/37/171220437.db2.gz VFNLBXKSWNQNHY-QWRGUYRKSA-N 0 0 253.336 4.592 10 0 CJAERN C[C@@H](Nc1c(F)cccc1F)c1cccc(Cl)c1 ZINC000020476114 171220597 /nfs/dbraw/zinc/22/05/97/171220597.db2.gz HVPUFWOLJLDRTJ-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1c(F)cccc1F)c1cccc(Cl)c1 ZINC000020476115 171220319 /nfs/dbraw/zinc/22/03/19/171220319.db2.gz HVPUFWOLJLDRTJ-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN CC[C@@H](Nc1c(F)cccc1F)c1ccc(C)cc1 ZINC000020476147 171220542 /nfs/dbraw/zinc/22/05/42/171220542.db2.gz OIICOMFRYKBQME-OAHLLOKOSA-N 0 0 261.315 4.836 10 0 CJAERN CC[C@H](Nc1c(F)cccc1F)c1ccc(C)cc1 ZINC000020476148 171220207 /nfs/dbraw/zinc/22/02/07/171220207.db2.gz OIICOMFRYKBQME-HNNXBMFYSA-N 0 0 261.315 4.836 10 0 CJAERN Fc1cccc(F)c1N[C@@H]1CCSc2ccccc21 ZINC000020476173 171220215 /nfs/dbraw/zinc/22/02/15/171220215.db2.gz HAJUHOLXTRYXAB-CYBMUJFWSA-N 0 0 277.339 4.614 10 0 CJAERN Fc1cccc(F)c1N[C@H]1CCSc2ccccc21 ZINC000020476174 171220263 /nfs/dbraw/zinc/22/02/63/171220263.db2.gz HAJUHOLXTRYXAB-ZDUSSCGKSA-N 0 0 277.339 4.614 10 0 CJAERN C[C@@H](Nc1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000020476249 171220439 /nfs/dbraw/zinc/22/04/39/171220439.db2.gz QRFLOMDLJIBRDC-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000020476250 171220334 /nfs/dbraw/zinc/22/03/34/171220334.db2.gz QRFLOMDLJIBRDC-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1c(F)cccc1F ZINC000020476286 171220196 /nfs/dbraw/zinc/22/01/96/171220196.db2.gz PQENAINOSBAUOW-XUJVJEKNSA-N 0 0 267.363 4.838 10 0 CJAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1c(F)cccc1F ZINC000020476287 171220211 /nfs/dbraw/zinc/22/02/11/171220211.db2.gz PQENAINOSBAUOW-HUBLWGQQSA-N 0 0 267.363 4.838 10 0 CJAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1c(F)cccc1F ZINC000020476288 171220489 /nfs/dbraw/zinc/22/04/89/171220489.db2.gz PQENAINOSBAUOW-JMSVASOKSA-N 0 0 267.363 4.838 10 0 CJAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1c(F)cccc1F ZINC000020476289 171220436 /nfs/dbraw/zinc/22/04/36/171220436.db2.gz PQENAINOSBAUOW-ZOWXZIJZSA-N 0 0 267.363 4.838 10 0 CJAERN CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1c(F)cccc1F ZINC000020476297 171220440 /nfs/dbraw/zinc/22/04/40/171220440.db2.gz AJLJEZBGRMBSLZ-RISCZKNCSA-N 0 0 267.363 4.982 10 0 CJAERN CC(C)(C)[C@H]1CCCC[C@@H]1Nc1c(F)cccc1F ZINC000020476298 171220444 /nfs/dbraw/zinc/22/04/44/171220444.db2.gz AJLJEZBGRMBSLZ-FZMZJTMJSA-N 0 0 267.363 4.982 10 0 CJAERN CC(C)(C)[C@@H]1CCCC[C@H]1Nc1c(F)cccc1F ZINC000020476299 171220251 /nfs/dbraw/zinc/22/02/51/171220251.db2.gz AJLJEZBGRMBSLZ-BXUZGUMPSA-N 0 0 267.363 4.982 10 0 CJAERN CC(C)(C)[C@H]1CCCC[C@H]1Nc1c(F)cccc1F ZINC000020476300 171220609 /nfs/dbraw/zinc/22/06/09/171220609.db2.gz AJLJEZBGRMBSLZ-SMDDNHRTSA-N 0 0 267.363 4.982 10 0 CJAERN CCCCN(CCCC)c1cccc(Cl)c1C=O ZINC000020485884 171225101 /nfs/dbraw/zinc/22/51/01/171225101.db2.gz WRBZGUHMVGSOBS-UHFFFAOYSA-N 0 0 267.800 4.559 10 0 CJAERN Clc1cc(Cl)c(NCc2ccccn2)c(Cl)c1 ZINC000020505038 171227930 /nfs/dbraw/zinc/22/79/30/171227930.db2.gz NOXLHNGLLFNYPR-UHFFFAOYSA-N 0 0 287.577 4.654 10 0 CJAERN CC[C@@H](C)Nc1c(Cl)cc(Cl)cc1Cl ZINC000020505050 171227687 /nfs/dbraw/zinc/22/76/87/171227687.db2.gz ALDCOZHSVNQNPH-ZCFIWIBFSA-N 0 0 252.572 4.857 10 0 CJAERN CC[C@H](C)Nc1c(Cl)cc(Cl)cc1Cl ZINC000020505051 171227521 /nfs/dbraw/zinc/22/75/21/171227521.db2.gz ALDCOZHSVNQNPH-LURJTMIESA-N 0 0 252.572 4.857 10 0 CJAERN CCCCNc1c(Cl)cc(Cl)cc1Cl ZINC000020505059 171227821 /nfs/dbraw/zinc/22/78/21/171227821.db2.gz MLKGIDLCYTUCJA-UHFFFAOYSA-N 0 0 252.572 4.859 10 0 CJAERN Clc1cc(Cl)c(NCc2ccncc2)c(Cl)c1 ZINC000020505203 171227647 /nfs/dbraw/zinc/22/76/47/171227647.db2.gz KGELBEKLVKLDDK-UHFFFAOYSA-N 0 0 287.577 4.654 10 0 CJAERN CC(C)CNc1c(Cl)cc(Cl)cc1Cl ZINC000020505205 171227776 /nfs/dbraw/zinc/22/77/76/171227776.db2.gz CAGUMLSXHZFCNH-UHFFFAOYSA-N 0 0 252.572 4.715 10 0 CJAERN Clc1cc(Cl)c(NCc2ccco2)c(Cl)c1 ZINC000020505206 171227918 /nfs/dbraw/zinc/22/79/18/171227918.db2.gz YVMASKVTBHUMMR-UHFFFAOYSA-N 0 0 276.550 4.852 10 0 CJAERN Clc1cc(Cl)c(NCc2cccnc2)c(Cl)c1 ZINC000020505208 171228552 /nfs/dbraw/zinc/22/85/52/171228552.db2.gz OZHGUYODXPIRCS-UHFFFAOYSA-N 0 0 287.577 4.654 10 0 CJAERN CC[C@@H](C)Nc1c(Cl)cc(Br)cc1Cl ZINC000020505579 171228366 /nfs/dbraw/zinc/22/83/66/171228366.db2.gz DBMBFXZQMRVKHD-ZCFIWIBFSA-N 0 0 297.023 4.966 10 0 CJAERN CC[C@H](C)Nc1c(Cl)cc(Br)cc1Cl ZINC000020505580 171228048 /nfs/dbraw/zinc/22/80/48/171228048.db2.gz DBMBFXZQMRVKHD-LURJTMIESA-N 0 0 297.023 4.966 10 0 CJAERN CCCCNc1c(Cl)cc(Br)cc1Cl ZINC000020505588 171228539 /nfs/dbraw/zinc/22/85/39/171228539.db2.gz LWZWKEYQWLACHP-UHFFFAOYSA-N 0 0 297.023 4.968 10 0 CJAERN CCCNc1c(Cl)cc(Br)cc1Cl ZINC000020505589 171228077 /nfs/dbraw/zinc/22/80/77/171228077.db2.gz PIEUBDJZKQAIMH-UHFFFAOYSA-N 0 0 282.996 4.578 10 0 CJAERN CC(C)Nc1c(Cl)cc(Br)cc1Cl ZINC000020505641 171228373 /nfs/dbraw/zinc/22/83/73/171228373.db2.gz CQRGYJUSKPGYAS-UHFFFAOYSA-N 0 0 282.996 4.576 10 0 CJAERN CC(C)CNc1c(Cl)cc(Br)cc1Cl ZINC000020505727 171228342 /nfs/dbraw/zinc/22/83/42/171228342.db2.gz QPRAQXUSVATYGE-UHFFFAOYSA-N 0 0 297.023 4.824 10 0 CJAERN C[C@@H]1C[C@@H](Oc2c(N)cccc2Cl)CC(C)(C)C1 ZINC000020506944 171228711 /nfs/dbraw/zinc/22/87/11/171228711.db2.gz MVDMUJXBZFOZBH-GHMZBOCLSA-N 0 0 267.800 4.516 10 0 CJAERN C[C@H]1C[C@@H](Oc2c(N)cccc2Cl)CC(C)(C)C1 ZINC000020506947 171228653 /nfs/dbraw/zinc/22/86/53/171228653.db2.gz MVDMUJXBZFOZBH-WDEREUQCSA-N 0 0 267.800 4.516 10 0 CJAERN C[C@@H]1C[C@H](Oc2c(N)cccc2Cl)CC(C)(C)C1 ZINC000020506949 171228705 /nfs/dbraw/zinc/22/87/05/171228705.db2.gz MVDMUJXBZFOZBH-MNOVXSKESA-N 0 0 267.800 4.516 10 0 CJAERN C[C@H]1C[C@H](Oc2c(N)cccc2Cl)CC(C)(C)C1 ZINC000020506951 171228723 /nfs/dbraw/zinc/22/87/23/171228723.db2.gz MVDMUJXBZFOZBH-QWRGUYRKSA-N 0 0 267.800 4.516 10 0 CJAERN C[C@@H]1C[C@@H](Oc2ccc(N)cc2Cl)CC(C)(C)C1 ZINC000020506961 171228702 /nfs/dbraw/zinc/22/87/02/171228702.db2.gz HGMURHNBVQRSQC-ZYHUDNBSSA-N 0 0 267.800 4.516 10 0 CJAERN C[C@H]1C[C@@H](Oc2ccc(N)cc2Cl)CC(C)(C)C1 ZINC000020506963 171228767 /nfs/dbraw/zinc/22/87/67/171228767.db2.gz HGMURHNBVQRSQC-CMPLNLGQSA-N 0 0 267.800 4.516 10 0 CJAERN C[C@@H]1C[C@H](Oc2ccc(N)cc2Cl)CC(C)(C)C1 ZINC000020506966 171228960 /nfs/dbraw/zinc/22/89/60/171228960.db2.gz HGMURHNBVQRSQC-PWSUYJOCSA-N 0 0 267.800 4.516 10 0 CJAERN C[C@H]1C[C@H](Oc2ccc(N)cc2Cl)CC(C)(C)C1 ZINC000020506968 171228839 /nfs/dbraw/zinc/22/88/39/171228839.db2.gz HGMURHNBVQRSQC-JQWIXIFHSA-N 0 0 267.800 4.516 10 0 CJAERN C[C@@H]1C[C@@H](Oc2ccc(Cl)cc2N)CC(C)(C)C1 ZINC000020506994 171229023 /nfs/dbraw/zinc/22/90/23/171229023.db2.gz JAHXFVGLFSKASV-ZYHUDNBSSA-N 0 0 267.800 4.516 10 0 CJAERN C[C@H]1C[C@@H](Oc2ccc(Cl)cc2N)CC(C)(C)C1 ZINC000020506996 171228985 /nfs/dbraw/zinc/22/89/85/171228985.db2.gz JAHXFVGLFSKASV-CMPLNLGQSA-N 0 0 267.800 4.516 10 0 CJAERN C[C@@H]1C[C@H](Oc2ccc(Cl)cc2N)CC(C)(C)C1 ZINC000020506998 171229011 /nfs/dbraw/zinc/22/90/11/171229011.db2.gz JAHXFVGLFSKASV-PWSUYJOCSA-N 0 0 267.800 4.516 10 0 CJAERN C[C@H]1C[C@H](Oc2ccc(Cl)cc2N)CC(C)(C)C1 ZINC000020507000 171229026 /nfs/dbraw/zinc/22/90/26/171229026.db2.gz JAHXFVGLFSKASV-JQWIXIFHSA-N 0 0 267.800 4.516 10 0 CJAERN CCCC[C@@H](CC)COc1c(N)cccc1Cl ZINC000020507140 171228728 /nfs/dbraw/zinc/22/87/28/171228728.db2.gz HBVMJFBABRDLNQ-LLVKDONJSA-N 0 0 255.789 4.517 10 0 CJAERN CCCC[C@H](CC)COc1c(N)cccc1Cl ZINC000020507142 171228869 /nfs/dbraw/zinc/22/88/69/171228869.db2.gz HBVMJFBABRDLNQ-NSHDSACASA-N 0 0 255.789 4.517 10 0 CJAERN CCCCCC[C@@H](C)Oc1cccc(F)c1C(C)=O ZINC000020516869 171232792 /nfs/dbraw/zinc/23/27/92/171232792.db2.gz LMTAEFQTSRQIKZ-GFCCVEGCSA-N 0 0 266.356 4.766 10 0 CJAERN CCCCCC[C@H](C)Oc1cccc(F)c1C(C)=O ZINC000020516871 171232776 /nfs/dbraw/zinc/23/27/76/171232776.db2.gz LMTAEFQTSRQIKZ-LBPRGKRZSA-N 0 0 266.356 4.766 10 0 CJAERN CCCCCC[C@@H](C)Oc1ccc(C(C)=O)cc1F ZINC000020516881 171232638 /nfs/dbraw/zinc/23/26/38/171232638.db2.gz HOJZNOHTPCVASC-GFCCVEGCSA-N 0 0 266.356 4.766 10 0 CJAERN CCCCCC[C@H](C)Oc1ccc(C(C)=O)cc1F ZINC000020516883 171232902 /nfs/dbraw/zinc/23/29/02/171232902.db2.gz HOJZNOHTPCVASC-LBPRGKRZSA-N 0 0 266.356 4.766 10 0 CJAERN CCCC[C@@H](CC)COc1cccc(F)c1C(C)=O ZINC000020516925 171232586 /nfs/dbraw/zinc/23/25/86/171232586.db2.gz SUPXUHSJPWJQDS-CYBMUJFWSA-N 0 0 266.356 4.624 10 0 CJAERN CCCC[C@@H](CC)COc1ccc(C(C)=O)cc1F ZINC000020516929 171232642 /nfs/dbraw/zinc/23/26/42/171232642.db2.gz WRQASAHLABLOGY-CYBMUJFWSA-N 0 0 266.356 4.624 10 0 CJAERN CCCC[C@H](CC)COc1ccc(C(C)=O)cc1F ZINC000020516930 171232855 /nfs/dbraw/zinc/23/28/55/171232855.db2.gz WRQASAHLABLOGY-ZDUSSCGKSA-N 0 0 266.356 4.624 10 0 CJAERN C[C@@H]1C[C@@H](Oc2cccc(Cl)c2C=O)CC(C)(C)C1 ZINC000020517149 171232610 /nfs/dbraw/zinc/23/26/10/171232610.db2.gz MTBGRARDJLQFEK-VXGBXAGGSA-N 0 0 280.795 4.746 10 0 CJAERN C[C@H]1C[C@@H](Oc2cccc(Cl)c2C=O)CC(C)(C)C1 ZINC000020517150 171232833 /nfs/dbraw/zinc/23/28/33/171232833.db2.gz MTBGRARDJLQFEK-NWDGAFQWSA-N 0 0 280.795 4.746 10 0 CJAERN C[C@@H]1C[C@H](Oc2cccc(Cl)c2C=O)CC(C)(C)C1 ZINC000020517151 171232843 /nfs/dbraw/zinc/23/28/43/171232843.db2.gz MTBGRARDJLQFEK-NEPJUHHUSA-N 0 0 280.795 4.746 10 0 CJAERN C[C@H]1C[C@H](Oc2cccc(Cl)c2C=O)CC(C)(C)C1 ZINC000020517152 171232630 /nfs/dbraw/zinc/23/26/30/171232630.db2.gz MTBGRARDJLQFEK-RYUDHWBXSA-N 0 0 280.795 4.746 10 0 CJAERN CCCCCCNc1ccccc1OC(F)(F)F ZINC000020519749 171233467 /nfs/dbraw/zinc/23/34/67/171233467.db2.gz OZNHCZLFYCYAFC-UHFFFAOYSA-N 0 0 261.287 4.577 10 0 CJAERN CCCCCCNc1cccc(OC(F)(F)F)c1 ZINC000020519751 171233680 /nfs/dbraw/zinc/23/36/80/171233680.db2.gz DFCVPDWSUZJENQ-UHFFFAOYSA-N 0 0 261.287 4.577 10 0 CJAERN CCCCCC[C@H](C)Nc1ccc(F)c(F)c1F ZINC000020519978 171234018 /nfs/dbraw/zinc/23/40/18/171234018.db2.gz NUQHSTIOKGXHSR-JTQLQIEISA-N 0 0 259.315 4.875 10 0 CJAERN Cn1cccc1CNc1cc(Cl)c(Cl)cc1Cl ZINC000020520746 171234113 /nfs/dbraw/zinc/23/41/13/171234113.db2.gz IFQQQOZHTMEZOC-UHFFFAOYSA-N 0 0 289.593 4.597 10 0 CJAERN Cn1cccc1CNc1c(Cl)cc(Cl)cc1Cl ZINC000020520808 171233959 /nfs/dbraw/zinc/23/39/59/171233959.db2.gz NGEKURUKHLJVLI-UHFFFAOYSA-N 0 0 289.593 4.597 10 0 CJAERN COC(C)(C)C[C@@H](C)Nc1cc(Cl)ccc1Cl ZINC000020524190 171237125 /nfs/dbraw/zinc/23/71/25/171237125.db2.gz POWIDMYBSFXQNV-SECBINFHSA-N 0 0 276.207 4.609 10 0 CJAERN COC(C)(C)C[C@H](C)Nc1cc(Cl)ccc1Cl ZINC000020524191 171237477 /nfs/dbraw/zinc/23/74/77/171237477.db2.gz POWIDMYBSFXQNV-VIFPVBQESA-N 0 0 276.207 4.609 10 0 CJAERN COC(C)(C)C[C@@H](C)Nc1ccc(C(C)(C)C)cc1 ZINC000020524244 171237361 /nfs/dbraw/zinc/23/73/61/171237361.db2.gz UTNDBFLWOOOWRA-CYBMUJFWSA-N 0 0 263.425 4.600 10 0 CJAERN COC(C)(C)C[C@H](C)Nc1ccc(C(C)(C)C)cc1 ZINC000020524245 171237429 /nfs/dbraw/zinc/23/74/29/171237429.db2.gz UTNDBFLWOOOWRA-ZDUSSCGKSA-N 0 0 263.425 4.600 10 0 CJAERN COC(C)(C)C[C@@H](C)Nc1ccc(Cl)cc1Cl ZINC000020524248 171237252 /nfs/dbraw/zinc/23/72/52/171237252.db2.gz PJWRIWUMUNLXSV-SECBINFHSA-N 0 0 276.207 4.609 10 0 CJAERN COC(C)(C)C[C@H](C)Nc1ccc(Cl)cc1Cl ZINC000020524249 171237390 /nfs/dbraw/zinc/23/73/90/171237390.db2.gz PJWRIWUMUNLXSV-VIFPVBQESA-N 0 0 276.207 4.609 10 0 CJAERN COC(C)(C)C[C@@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000020524313 171237198 /nfs/dbraw/zinc/23/71/98/171237198.db2.gz WXHSPCZGOMGLQS-SECBINFHSA-N 0 0 276.207 4.609 10 0 CJAERN COC(C)(C)C[C@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000020524314 171237249 /nfs/dbraw/zinc/23/72/49/171237249.db2.gz WXHSPCZGOMGLQS-VIFPVBQESA-N 0 0 276.207 4.609 10 0 CJAERN COC(C)(C)C[C@@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000020524337 171237442 /nfs/dbraw/zinc/23/74/42/171237442.db2.gz QPEVGKJVAFXHDH-SECBINFHSA-N 0 0 276.207 4.609 10 0 CJAERN COC(C)(C)C[C@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000020524338 171237326 /nfs/dbraw/zinc/23/73/26/171237326.db2.gz QPEVGKJVAFXHDH-VIFPVBQESA-N 0 0 276.207 4.609 10 0 CJAERN COC(C)(C)C[C@@H](C)Nc1cccc(Cl)c1Cl ZINC000020524791 171237941 /nfs/dbraw/zinc/23/79/41/171237941.db2.gz PECGDHDTXLNDQH-SECBINFHSA-N 0 0 276.207 4.609 10 0 CJAERN COC(C)(C)C[C@H](C)Nc1cccc(Cl)c1Cl ZINC000020524792 171237672 /nfs/dbraw/zinc/23/76/72/171237672.db2.gz PECGDHDTXLNDQH-VIFPVBQESA-N 0 0 276.207 4.609 10 0 CJAERN CC1(C)CC[C@@H](Nc2ccccc2)c2ccccc21 ZINC000020525515 171238129 /nfs/dbraw/zinc/23/81/29/171238129.db2.gz FWFBVMDONLRCDK-QGZVFWFLSA-N 0 0 251.373 4.911 10 0 CJAERN CC1(C)CC[C@H](Nc2ccccc2)c2ccccc21 ZINC000020525516 171238125 /nfs/dbraw/zinc/23/81/25/171238125.db2.gz FWFBVMDONLRCDK-KRWDZBQOSA-N 0 0 251.373 4.911 10 0 CJAERN CC(C)c1csc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000020542195 171241870 /nfs/dbraw/zinc/24/18/70/171241870.db2.gz UPUHJRJUSJWXQV-UHFFFAOYSA-N 0 0 295.795 4.564 10 0 CJAERN CC(C)c1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000020542198 171242059 /nfs/dbraw/zinc/24/20/59/171242059.db2.gz LELNZHOMPFADNC-UHFFFAOYSA-N 0 0 295.795 4.564 10 0 CJAERN Fc1cc(F)cc(NCc2ccc(C(F)(F)F)cc2)c1 ZINC000020544431 171242906 /nfs/dbraw/zinc/24/29/06/171242906.db2.gz KPRGBGYSXRWUAZ-UHFFFAOYSA-N 0 0 287.231 4.596 10 0 CJAERN COc1cccc([C@@H](C)Nc2ccccc2C(C)C)c1 ZINC000020544651 171242806 /nfs/dbraw/zinc/24/28/06/171242806.db2.gz XTNGXYCVDPHFPA-CQSZACIVSA-N 0 0 269.388 4.992 10 0 CJAERN COc1cccc([C@H](C)Nc2ccccc2C(C)C)c1 ZINC000020544653 171243142 /nfs/dbraw/zinc/24/31/42/171243142.db2.gz XTNGXYCVDPHFPA-AWEZNQCLSA-N 0 0 269.388 4.992 10 0 CJAERN C[C@@H]1C[C@@H]1c1ccc(CNc2ccccc2Cl)o1 ZINC000020544706 171242909 /nfs/dbraw/zinc/24/29/09/171242909.db2.gz TYDFPNKUUNMWKH-PWSUYJOCSA-N 0 0 261.752 4.669 10 0 CJAERN C[C@H]1C[C@@H]1c1ccc(CNc2ccccc2Cl)o1 ZINC000020544708 171243171 /nfs/dbraw/zinc/24/31/71/171243171.db2.gz TYDFPNKUUNMWKH-JQWIXIFHSA-N 0 0 261.752 4.669 10 0 CJAERN C[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000020544734 171243207 /nfs/dbraw/zinc/24/32/07/171243207.db2.gz RBKFOJBPWFFCOL-LLVKDONJSA-N 0 0 281.277 4.758 10 0 CJAERN C[C@H](Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000020544736 171242898 /nfs/dbraw/zinc/24/28/98/171242898.db2.gz RBKFOJBPWFFCOL-NSHDSACASA-N 0 0 281.277 4.758 10 0 CJAERN CCOc1ccc([C@@H](C)Nc2ccc(C)c(F)c2)cc1 ZINC000020544835 171243146 /nfs/dbraw/zinc/24/31/46/171243146.db2.gz QKDMAQWUZIDRIG-CYBMUJFWSA-N 0 0 273.351 4.706 10 0 CJAERN CCOc1ccc([C@H](C)Nc2ccc(C)c(F)c2)cc1 ZINC000020544837 171242924 /nfs/dbraw/zinc/24/29/24/171242924.db2.gz QKDMAQWUZIDRIG-ZDUSSCGKSA-N 0 0 273.351 4.706 10 0 CJAERN COc1ccc(C)cc1[C@@H](C)Nc1ccc(F)c(F)c1F ZINC000020545042 171242959 /nfs/dbraw/zinc/24/29/59/171242959.db2.gz ACETUSPXJAZWRP-SNVBAGLBSA-N 0 0 295.304 4.594 10 0 CJAERN COc1ccc(C)cc1[C@H](C)Nc1ccc(F)c(F)c1F ZINC000020545043 171243116 /nfs/dbraw/zinc/24/31/16/171243116.db2.gz ACETUSPXJAZWRP-JTQLQIEISA-N 0 0 295.304 4.594 10 0 CJAERN CCc1ccc([C@@H](C)Nc2ccc(F)cc2F)cc1 ZINC000020545046 171243155 /nfs/dbraw/zinc/24/31/55/171243155.db2.gz DJOBHKOREUEYFD-LLVKDONJSA-N 0 0 261.315 4.700 10 0 CJAERN CCc1ccc([C@H](C)Nc2ccc(F)cc2F)cc1 ZINC000020545047 171243100 /nfs/dbraw/zinc/24/31/00/171243100.db2.gz DJOBHKOREUEYFD-NSHDSACASA-N 0 0 261.315 4.700 10 0 CJAERN CC(=O)c1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000020545139 171243417 /nfs/dbraw/zinc/24/34/17/171243417.db2.gz QJOJRJHBZDXZNL-UHFFFAOYSA-N 0 0 262.308 4.835 10 0 CJAERN CC[C@@H](Nc1ccc(F)cc1C)c1ccc(OC)cc1 ZINC000020545202 171243402 /nfs/dbraw/zinc/24/34/02/171243402.db2.gz GTEQWGPBJHEOQJ-MRXNPFEDSA-N 0 0 273.351 4.706 10 0 CJAERN CC[C@H](Nc1ccc(F)cc1C)c1ccc(OC)cc1 ZINC000020545203 171243296 /nfs/dbraw/zinc/24/32/96/171243296.db2.gz GTEQWGPBJHEOQJ-INIZCTEOSA-N 0 0 273.351 4.706 10 0 CJAERN Cc1ccc(C)c(NCc2ccc(C(F)(F)F)cc2)c1 ZINC000020545210 171243414 /nfs/dbraw/zinc/24/34/14/171243414.db2.gz YLCXJPMJCYAHJV-UHFFFAOYSA-N 0 0 279.305 4.934 10 0 CJAERN Cc1ccc(NC[C@H]2CC=CCC2)c(Br)c1 ZINC000020545638 171243703 /nfs/dbraw/zinc/24/37/03/171243703.db2.gz BQNCIOROANKLEU-LBPRGKRZSA-N 0 0 280.209 4.526 10 0 CJAERN Cc1ccc(NC[C@@H]2CC=CCC2)c(Br)c1 ZINC000020545639 171243563 /nfs/dbraw/zinc/24/35/63/171243563.db2.gz BQNCIOROANKLEU-GFCCVEGCSA-N 0 0 280.209 4.526 10 0 CJAERN COc1ccc2c(c1)CCC[C@@H]2Nc1cccc(C)c1C ZINC000020545654 171243732 /nfs/dbraw/zinc/24/37/32/171243732.db2.gz OEOVXIAZDFWFRW-IBGZPJMESA-N 0 0 281.399 4.802 10 0 CJAERN COc1ccc2c(c1)CCC[C@H]2Nc1cccc(C)c1C ZINC000020545655 171243729 /nfs/dbraw/zinc/24/37/29/171243729.db2.gz OEOVXIAZDFWFRW-LJQANCHMSA-N 0 0 281.399 4.802 10 0 CJAERN CC(=O)c1cc(F)ccc1Oc1cccc2ccccc21 ZINC000020545784 171243731 /nfs/dbraw/zinc/24/37/31/171243731.db2.gz BDPPDXDDUNIXBK-UHFFFAOYSA-N 0 0 280.298 4.974 10 0 CJAERN Cc1ccc(C)c([C@@H](C)Nc2ccc(F)cc2F)c1 ZINC000020545789 171243542 /nfs/dbraw/zinc/24/35/42/171243542.db2.gz RJOMBJAEBJIGMK-GFCCVEGCSA-N 0 0 261.315 4.755 10 0 CJAERN Cc1ccc(C)c([C@H](C)Nc2ccc(F)cc2F)c1 ZINC000020545790 171243656 /nfs/dbraw/zinc/24/36/56/171243656.db2.gz RJOMBJAEBJIGMK-LBPRGKRZSA-N 0 0 261.315 4.755 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc(F)cc2F)c(C)c1 ZINC000020545809 171243706 /nfs/dbraw/zinc/24/37/06/171243706.db2.gz XNBFACHISVDPSA-GFCCVEGCSA-N 0 0 261.315 4.755 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc(F)cc2F)c(C)c1 ZINC000020545810 171243780 /nfs/dbraw/zinc/24/37/80/171243780.db2.gz XNBFACHISVDPSA-LBPRGKRZSA-N 0 0 261.315 4.755 10 0 CJAERN Cc1ccc(C)c(NCc2ccccc2OC(F)(F)F)c1 ZINC000020545849 171243698 /nfs/dbraw/zinc/24/36/98/171243698.db2.gz ICJIDSJAPQZLCN-UHFFFAOYSA-N 0 0 295.304 4.814 10 0 CJAERN CC(C)c1ccccc1NCc1ccc2ncccc2c1 ZINC000020546401 262249103 /nfs/dbraw/zinc/24/91/03/262249103.db2.gz KAPOFMUPSRZLCB-UHFFFAOYSA-N 0 0 276.383 4.970 10 0 CJAERN CCOc1ccccc1N[C@@H](C)c1ccc(SC)cc1 ZINC000020546411 171243994 /nfs/dbraw/zinc/24/39/94/171243994.db2.gz PBKLEYDKTJJGNB-ZDUSSCGKSA-N 0 0 287.428 4.980 10 0 CJAERN CCOc1ccccc1N[C@H](C)c1ccc(SC)cc1 ZINC000020546412 171244112 /nfs/dbraw/zinc/24/41/12/171244112.db2.gz PBKLEYDKTJJGNB-CYBMUJFWSA-N 0 0 287.428 4.980 10 0 CJAERN CCc1ccccc1NCc1ccc(F)cc1Cl ZINC000020546414 171244066 /nfs/dbraw/zinc/24/40/66/171244066.db2.gz WQTMJYCMOKECAF-UHFFFAOYSA-N 0 0 263.743 4.654 10 0 CJAERN Cc1ccc(N[C@H](C)CCC(C)C)c(Br)c1 ZINC000020546490 171244157 /nfs/dbraw/zinc/24/41/57/171244157.db2.gz LPFMGCSUWGLYIL-GFCCVEGCSA-N 0 0 284.241 4.994 10 0 CJAERN Cc1ccc(N[C@@H](C)CCC(C)C)c(Br)c1 ZINC000020546491 171243926 /nfs/dbraw/zinc/24/39/26/171243926.db2.gz LPFMGCSUWGLYIL-LBPRGKRZSA-N 0 0 284.241 4.994 10 0 CJAERN FC(F)(F)c1ccc(NCc2ccccc2Cl)cc1 ZINC000020546545 171243953 /nfs/dbraw/zinc/24/39/53/171243953.db2.gz HXRRKZWHFUWFRM-UHFFFAOYSA-N 0 0 285.696 4.971 10 0 CJAERN COc1cccc([C@@H](C)Nc2ccccc2C(F)(F)F)c1 ZINC000020546640 171244094 /nfs/dbraw/zinc/24/40/94/171244094.db2.gz VZSBUUPWMVAOHZ-LLVKDONJSA-N 0 0 295.304 4.887 10 0 CJAERN COc1cccc([C@H](C)Nc2ccccc2C(F)(F)F)c1 ZINC000020546642 171244002 /nfs/dbraw/zinc/24/40/02/171244002.db2.gz VZSBUUPWMVAOHZ-NSHDSACASA-N 0 0 295.304 4.887 10 0 CJAERN C[C@@H]1CCC[C@@H](C)C1Nc1ccc(Br)cc1 ZINC000020546676 171244159 /nfs/dbraw/zinc/24/41/59/171244159.db2.gz SWCUGGXYONCWQJ-GHMZBOCLSA-N 0 0 282.225 4.686 10 0 CJAERN C[C@@H]1CCC[C@H](C)C1Nc1ccc(Br)cc1 ZINC000020546678 171244175 /nfs/dbraw/zinc/24/41/75/171244175.db2.gz SWCUGGXYONCWQJ-BVUQATHDSA-N 0 0 282.225 4.686 10 0 CJAERN C[C@H]1CCC[C@H](C)C1Nc1ccc(Br)cc1 ZINC000020546679 171244158 /nfs/dbraw/zinc/24/41/58/171244158.db2.gz SWCUGGXYONCWQJ-QWRGUYRKSA-N 0 0 282.225 4.686 10 0 CJAERN CCOc1ccccc1CNc1ccc(C(C)(C)C)cc1 ZINC000020546700 171244437 /nfs/dbraw/zinc/24/44/37/171244437.db2.gz NSPUNCVRRXMPJJ-UHFFFAOYSA-N 0 0 283.415 4.995 10 0 CJAERN Cc1ccc(F)cc1N[C@H](C)c1c(F)cccc1F ZINC000020546740 171244471 /nfs/dbraw/zinc/24/44/71/171244471.db2.gz FCAMAOCBKJMPBN-SNVBAGLBSA-N 0 0 265.278 4.585 10 0 CJAERN Cc1ccc(F)cc1N[C@@H](C)c1c(F)cccc1F ZINC000020546741 171244441 /nfs/dbraw/zinc/24/44/41/171244441.db2.gz FCAMAOCBKJMPBN-JTQLQIEISA-N 0 0 265.278 4.585 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc(F)cc2F)cc1C ZINC000020546769 171244590 /nfs/dbraw/zinc/24/45/90/171244590.db2.gz IOCBOWIDGZEIMB-GFCCVEGCSA-N 0 0 261.315 4.755 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc(F)cc2F)cc1C ZINC000020546770 171244378 /nfs/dbraw/zinc/24/43/78/171244378.db2.gz IOCBOWIDGZEIMB-LBPRGKRZSA-N 0 0 261.315 4.755 10 0 CJAERN CC[C@@H](C)CNc1ccc(Cl)cc1C(F)(F)F ZINC000020546791 171244527 /nfs/dbraw/zinc/24/45/27/171244527.db2.gz RHLYJQWQGUSBLF-MRVPVSSYSA-N 0 0 265.706 4.817 10 0 CJAERN CC[C@H](C)CNc1ccc(Cl)cc1C(F)(F)F ZINC000020546793 171244529 /nfs/dbraw/zinc/24/45/29/171244529.db2.gz RHLYJQWQGUSBLF-QMMMGPOBSA-N 0 0 265.706 4.817 10 0 CJAERN Cc1cc(Cl)ccc1N[C@@H]1CCc2ccccc21 ZINC000020546837 171244330 /nfs/dbraw/zinc/24/43/30/171244330.db2.gz XXFDGCAHFKZLNM-MRXNPFEDSA-N 0 0 257.764 4.748 10 0 CJAERN Cc1cc(Cl)ccc1N[C@H]1CCc2ccccc21 ZINC000020546838 171244442 /nfs/dbraw/zinc/24/44/42/171244442.db2.gz XXFDGCAHFKZLNM-INIZCTEOSA-N 0 0 257.764 4.748 10 0 CJAERN CCCC(CCC)Nc1cccc(OC(F)(F)F)c1 ZINC000020546914 171244491 /nfs/dbraw/zinc/24/44/91/171244491.db2.gz BMPBDRXLHCWILD-UHFFFAOYSA-N 0 0 275.314 4.966 10 0 CJAERN CC(C)CC[C@@H](C)Nc1ccc(Br)cc1 ZINC000020546930 171244526 /nfs/dbraw/zinc/24/45/26/171244526.db2.gz XQHVLTYENQIBTC-LLVKDONJSA-N 0 0 270.214 4.686 10 0 CJAERN CC(C)CC[C@H](C)Nc1ccc(Br)cc1 ZINC000020546931 171244339 /nfs/dbraw/zinc/24/43/39/171244339.db2.gz XQHVLTYENQIBTC-NSHDSACASA-N 0 0 270.214 4.686 10 0 CJAERN CCOc1ccc([C@@H](C)Nc2ccc(C)cc2C)cc1 ZINC000020546973 171244571 /nfs/dbraw/zinc/24/45/71/171244571.db2.gz IGVWRKVUEMBFQA-OAHLLOKOSA-N 0 0 269.388 4.875 10 0 CJAERN CCOc1ccc([C@H](C)Nc2ccc(C)cc2C)cc1 ZINC000020546974 171244601 /nfs/dbraw/zinc/24/46/01/171244601.db2.gz IGVWRKVUEMBFQA-HNNXBMFYSA-N 0 0 269.388 4.875 10 0 CJAERN CC(=O)c1ccccc1Oc1cccc(C(C)C)c1 ZINC000020546976 171244400 /nfs/dbraw/zinc/24/44/00/171244400.db2.gz BQSAKKWVGLYQNI-UHFFFAOYSA-N 0 0 254.329 4.805 10 0 CJAERN Cc1cc(NC[C@H]2CC=CCC2)ccc1Br ZINC000020547053 171244483 /nfs/dbraw/zinc/24/44/83/171244483.db2.gz KMADKMKZAHBJRQ-LBPRGKRZSA-N 0 0 280.209 4.526 10 0 CJAERN Cc1cc(NC[C@@H]2CC=CCC2)ccc1Br ZINC000020547054 171244631 /nfs/dbraw/zinc/24/46/31/171244631.db2.gz KMADKMKZAHBJRQ-GFCCVEGCSA-N 0 0 280.209 4.526 10 0 CJAERN Cc1ccsc1CNc1cccc(Cl)c1Cl ZINC000020547111 171244444 /nfs/dbraw/zinc/24/44/44/171244444.db2.gz ZETBIYFGFSRTRL-UHFFFAOYSA-N 0 0 272.200 4.975 10 0 CJAERN CCC(CC)CNc1ccccc1SC(F)F ZINC000020547133 171244334 /nfs/dbraw/zinc/24/43/34/171244334.db2.gz NPYOHVJACJWDNQ-UHFFFAOYSA-N 0 0 259.365 4.849 10 0 CJAERN CCOc1ccccc1[C@@H](C)Nc1cccc(C)c1C ZINC000020547216 171244439 /nfs/dbraw/zinc/24/44/39/171244439.db2.gz LQJNAKYPGHMNOH-OAHLLOKOSA-N 0 0 269.388 4.875 10 0 CJAERN CCOc1ccccc1[C@H](C)Nc1cccc(C)c1C ZINC000020547218 171244538 /nfs/dbraw/zinc/24/45/38/171244538.db2.gz LQJNAKYPGHMNOH-HNNXBMFYSA-N 0 0 269.388 4.875 10 0 CJAERN C[C@@H](Nc1cc(F)ccc1F)c1ccccc1Cl ZINC000020547267 171244291 /nfs/dbraw/zinc/24/42/91/171244291.db2.gz YCAOWPSNNRDJBA-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1cc(F)ccc1F)c1ccccc1Cl ZINC000020547269 171244298 /nfs/dbraw/zinc/24/42/98/171244298.db2.gz YCAOWPSNNRDJBA-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN FC(F)(F)c1cc(Cl)ccc1NC1CCCC1 ZINC000020547375 171245098 /nfs/dbraw/zinc/24/50/98/171245098.db2.gz KJBCWYQESYFGGZ-UHFFFAOYSA-N 0 0 263.690 4.713 10 0 CJAERN CC[C@@H](Nc1ccccc1Cl)c1cccs1 ZINC000020547400 171245014 /nfs/dbraw/zinc/24/50/14/171245014.db2.gz BTKMAMHDKHDTJM-LLVKDONJSA-N 0 0 251.782 4.965 10 0 CJAERN CC[C@H](Nc1ccccc1Cl)c1cccs1 ZINC000020547401 171245032 /nfs/dbraw/zinc/24/50/32/171245032.db2.gz BTKMAMHDKHDTJM-NSHDSACASA-N 0 0 251.782 4.965 10 0 CJAERN Fc1ccc(CNc2ccc(F)c(F)c2F)c(Cl)c1 ZINC000020547528 171244802 /nfs/dbraw/zinc/24/48/02/171244802.db2.gz PJPKCDGEYHRXPX-UHFFFAOYSA-N 0 0 289.659 4.509 10 0 CJAERN COc1ccc(C)cc1N[C@@H](C)c1ccc(C)c(C)c1 ZINC000020547539 171245100 /nfs/dbraw/zinc/24/51/00/171245100.db2.gz HXNXCOAUWACDHC-HNNXBMFYSA-N 0 0 269.388 4.794 10 0 CJAERN COc1ccc(C)cc1N[C@H](C)c1ccc(C)c(C)c1 ZINC000020547541 171244836 /nfs/dbraw/zinc/24/48/36/171244836.db2.gz HXNXCOAUWACDHC-OAHLLOKOSA-N 0 0 269.388 4.794 10 0 CJAERN CCOc1ccccc1N[C@@H](C)c1ccc(C)c(C)c1 ZINC000020547626 171245195 /nfs/dbraw/zinc/24/51/95/171245195.db2.gz KYPVPQGUDIAMBK-HNNXBMFYSA-N 0 0 269.388 4.875 10 0 CJAERN CCOc1ccccc1N[C@H](C)c1ccc(C)c(C)c1 ZINC000020547627 171245188 /nfs/dbraw/zinc/24/51/88/171245188.db2.gz KYPVPQGUDIAMBK-OAHLLOKOSA-N 0 0 269.388 4.875 10 0 CJAERN Cc1cc([C@@H](C)Nc2cc(F)ccc2F)c(C)s1 ZINC000020547814 171244917 /nfs/dbraw/zinc/24/49/17/171244917.db2.gz SREOZHWNAMVOOZ-SECBINFHSA-N 0 0 267.344 4.816 10 0 CJAERN Cc1cc([C@H](C)Nc2cc(F)ccc2F)c(C)s1 ZINC000020547815 171244906 /nfs/dbraw/zinc/24/49/06/171244906.db2.gz SREOZHWNAMVOOZ-VIFPVBQESA-N 0 0 267.344 4.816 10 0 CJAERN CCOc1ccc([C@@H](C)Nc2ccc(F)c(F)c2F)cc1 ZINC000020547854 171245121 /nfs/dbraw/zinc/24/51/21/171245121.db2.gz POPDJONGJCQCTN-SNVBAGLBSA-N 0 0 295.304 4.676 10 0 CJAERN CCOc1ccc([C@H](C)Nc2ccc(F)c(F)c2F)cc1 ZINC000020547855 171244872 /nfs/dbraw/zinc/24/48/72/171244872.db2.gz POPDJONGJCQCTN-JTQLQIEISA-N 0 0 295.304 4.676 10 0 CJAERN CC[C@@H](C)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020547856 171245141 /nfs/dbraw/zinc/24/51/41/171245141.db2.gz VUPHYQDOWLTEED-SSDOTTSWSA-N 0 0 251.679 4.569 10 0 CJAERN CC[C@H](C)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020547857 171245176 /nfs/dbraw/zinc/24/51/76/171245176.db2.gz VUPHYQDOWLTEED-ZETCQYMHSA-N 0 0 251.679 4.569 10 0 CJAERN Clc1ccc(NCC2CCCCC2)cc1Cl ZINC000020547894 171245442 /nfs/dbraw/zinc/24/54/42/171245442.db2.gz LBZPNWSXCBKEIC-UHFFFAOYSA-N 0 0 258.192 4.986 10 0 CJAERN CCOc1ccc(N[C@@H](C)c2cc(C)ccc2C)cc1 ZINC000020547912 171245453 /nfs/dbraw/zinc/24/54/53/171245453.db2.gz FYFFVJLGBFWJCG-HNNXBMFYSA-N 0 0 269.388 4.875 10 0 CJAERN CCOc1ccc(N[C@H](C)c2cc(C)ccc2C)cc1 ZINC000020547914 171245353 /nfs/dbraw/zinc/24/53/53/171245353.db2.gz FYFFVJLGBFWJCG-OAHLLOKOSA-N 0 0 269.388 4.875 10 0 CJAERN CC(=O)c1cc(F)ccc1Sc1ccc(C)cc1C ZINC000020547949 171245394 /nfs/dbraw/zinc/24/53/94/171245394.db2.gz UDMGTIDDCKWERL-UHFFFAOYSA-N 0 0 274.360 4.796 10 0 CJAERN CC(=O)c1ccccc1Sc1cc(C)ccc1C ZINC000020547975 171245412 /nfs/dbraw/zinc/24/54/12/171245412.db2.gz MTSDHMKXUCZKIF-UHFFFAOYSA-N 0 0 256.370 4.657 10 0 CJAERN Cc1ccc(C)c([C@@H](C)Nc2cc(F)ccc2C)c1 ZINC000020547999 171245607 /nfs/dbraw/zinc/24/56/07/171245607.db2.gz IGSYXISEXQQFNV-CQSZACIVSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1ccc(C)c([C@H](C)Nc2cc(F)ccc2C)c1 ZINC000020548000 171245574 /nfs/dbraw/zinc/24/55/74/171245574.db2.gz IGSYXISEXQQFNV-AWEZNQCLSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1ccc(CNc2ccccc2Br)c(C)c1 ZINC000020548017 171245389 /nfs/dbraw/zinc/24/53/89/171245389.db2.gz RBMXXZMNTUPQBP-UHFFFAOYSA-N 0 0 290.204 4.678 10 0 CJAERN c1cnc2cccc(NC3CCCCCCC3)c2c1 ZINC000020548055 171245459 /nfs/dbraw/zinc/24/54/59/171245459.db2.gz AFGLOAJJKWLHBB-UHFFFAOYSA-N 0 0 254.377 4.760 10 0 CJAERN Cc1nc(-c2ccc(NC3CCCCC3)cc2)cs1 ZINC000020548114 171245462 /nfs/dbraw/zinc/24/54/62/171245462.db2.gz MKPNTMCYKSBTLL-UHFFFAOYSA-N 0 0 272.417 4.863 10 0 CJAERN C[C@@H](Nc1ccc(F)cc1F)c1cc2ccccc2o1 ZINC000020548196 171245572 /nfs/dbraw/zinc/24/55/72/171245572.db2.gz ZYFUVEATYZRDKQ-SNVBAGLBSA-N 0 0 273.282 4.884 10 0 CJAERN C[C@H](Nc1ccc(F)cc1F)c1cc2ccccc2o1 ZINC000020548197 171245392 /nfs/dbraw/zinc/24/53/92/171245392.db2.gz ZYFUVEATYZRDKQ-JTQLQIEISA-N 0 0 273.282 4.884 10 0 CJAERN Cc1ccc(CNc2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000020548266 171245637 /nfs/dbraw/zinc/24/56/37/171245637.db2.gz JLZIPHZTPBWROB-UHFFFAOYSA-N 0 0 279.305 4.934 10 0 CJAERN Nc1cc(Cl)ccc1SCc1ccc(Cl)cc1 ZINC000020548390 171245593 /nfs/dbraw/zinc/24/55/93/171245593.db2.gz HMPKGBKODBFAGR-UHFFFAOYSA-N 0 0 284.211 4.868 10 0 CJAERN CC(C)CC(CC(C)C)Nc1cc(F)cc(F)c1 ZINC000020548423 171245345 /nfs/dbraw/zinc/24/53/45/171245345.db2.gz PEPVQZFATWTDMA-UHFFFAOYSA-N 0 0 255.352 4.838 10 0 CJAERN CCOc1ccccc1NCc1ccc(C(C)(C)C)cc1 ZINC000020548475 171245295 /nfs/dbraw/zinc/24/52/95/171245295.db2.gz YCJGPMNPNFDWOG-UHFFFAOYSA-N 0 0 283.415 4.995 10 0 CJAERN c1ccc2c(c1)CC[C@H]2Nc1cccc2ccccc21 ZINC000020548490 171245455 /nfs/dbraw/zinc/24/54/55/171245455.db2.gz AUJYLEGWVDRWMP-LJQANCHMSA-N 0 0 259.352 4.939 10 0 CJAERN c1ccc2c(c1)CC[C@@H]2Nc1cccc2ccccc21 ZINC000020548492 171245508 /nfs/dbraw/zinc/24/55/08/171245508.db2.gz AUJYLEGWVDRWMP-IBGZPJMESA-N 0 0 259.352 4.939 10 0 CJAERN Clc1cccc(N[C@@H]2CCOc3ccccc32)c1Cl ZINC000020548563 171245759 /nfs/dbraw/zinc/24/57/59/171245759.db2.gz WLJRXIIQMYMJGT-GFCCVEGCSA-N 0 0 294.181 4.929 10 0 CJAERN Clc1cccc(N[C@H]2CCOc3ccccc32)c1Cl ZINC000020548564 171245753 /nfs/dbraw/zinc/24/57/53/171245753.db2.gz WLJRXIIQMYMJGT-LBPRGKRZSA-N 0 0 294.181 4.929 10 0 CJAERN FC(F)Oc1ccc(NC2CCCCCCC2)cc1 ZINC000020548622 171245834 /nfs/dbraw/zinc/24/58/34/171245834.db2.gz NLCPFXZSQLCRKS-UHFFFAOYSA-N 0 0 269.335 4.813 10 0 CJAERN COc1ccc(C)cc1NCc1c(C)cc(C)cc1C ZINC000020548668 171245743 /nfs/dbraw/zinc/24/57/43/171245743.db2.gz DYQRUMASHKVADX-UHFFFAOYSA-N 0 0 269.388 4.541 10 0 CJAERN CCc1ccc(-c2nc(Cl)c3ccccc3n2)cc1 ZINC000020548705 171245777 /nfs/dbraw/zinc/24/57/77/171245777.db2.gz ZXYOLOMYVGJCQC-UHFFFAOYSA-N 0 0 268.747 4.513 10 0 CJAERN COc1ccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1Cl ZINC000020548790 171245721 /nfs/dbraw/zinc/24/57/21/171245721.db2.gz DTXUGJXNKZMWJL-DGCLKSJQSA-N 0 0 281.827 4.975 10 0 CJAERN COc1ccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1Cl ZINC000020548791 171245735 /nfs/dbraw/zinc/24/57/35/171245735.db2.gz DTXUGJXNKZMWJL-YPMHNXCESA-N 0 0 281.827 4.975 10 0 CJAERN COc1ccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1Cl ZINC000020548792 171245793 /nfs/dbraw/zinc/24/57/93/171245793.db2.gz DTXUGJXNKZMWJL-WCQYABFASA-N 0 0 281.827 4.975 10 0 CJAERN COc1ccc(N[C@H]2C[C@H](C)CC(C)(C)C2)cc1Cl ZINC000020548793 171245784 /nfs/dbraw/zinc/24/57/84/171245784.db2.gz DTXUGJXNKZMWJL-AAEUAGOBSA-N 0 0 281.827 4.975 10 0 CJAERN Cc1cc(Br)ccc1N[C@@H]1CCC[C@@H](C)C1 ZINC000020549167 171246351 /nfs/dbraw/zinc/24/63/51/171246351.db2.gz UQHOSMKFXXVWMH-ZWNOBZJWSA-N 0 0 282.225 4.748 10 0 CJAERN Cc1cc(Br)ccc1N[C@@H]1CCC[C@H](C)C1 ZINC000020549168 171246141 /nfs/dbraw/zinc/24/61/41/171246141.db2.gz UQHOSMKFXXVWMH-GXFFZTMASA-N 0 0 282.225 4.748 10 0 CJAERN Cc1cc(Br)ccc1N[C@H]1CCC[C@@H](C)C1 ZINC000020549169 171246122 /nfs/dbraw/zinc/24/61/22/171246122.db2.gz UQHOSMKFXXVWMH-MFKMUULPSA-N 0 0 282.225 4.748 10 0 CJAERN Cc1cc(Br)ccc1N[C@H]1CCC[C@H](C)C1 ZINC000020549170 171246143 /nfs/dbraw/zinc/24/61/43/171246143.db2.gz UQHOSMKFXXVWMH-GWCFXTLKSA-N 0 0 282.225 4.748 10 0 CJAERN c1ccc2nc(NC3CCCCCCC3)ccc2c1 ZINC000020549247 171246334 /nfs/dbraw/zinc/24/63/34/171246334.db2.gz BGXMNWVUFICKTB-UHFFFAOYSA-N 0 0 254.377 4.760 10 0 CJAERN Nc1cc(C(F)(F)F)ccc1Sc1ccccc1F ZINC000020549354 171246176 /nfs/dbraw/zinc/24/61/76/171246176.db2.gz LNJRUXGHVZAQPZ-UHFFFAOYSA-N 0 0 287.281 4.578 10 0 CJAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1cc(F)cc(F)c1 ZINC000020549399 171246071 /nfs/dbraw/zinc/24/60/71/171246071.db2.gz NPLJHTZWUYOVPM-RLCCDNCMSA-N 0 0 267.363 4.838 10 0 CJAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1cc(F)cc(F)c1 ZINC000020549400 171246379 /nfs/dbraw/zinc/24/63/79/171246379.db2.gz NPLJHTZWUYOVPM-UVBJJODRSA-N 0 0 267.363 4.838 10 0 CJAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1cc(F)cc(F)c1 ZINC000020549401 171246415 /nfs/dbraw/zinc/24/64/15/171246415.db2.gz NPLJHTZWUYOVPM-LYRGGWFBSA-N 0 0 267.363 4.838 10 0 CJAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1cc(F)cc(F)c1 ZINC000020549402 171246305 /nfs/dbraw/zinc/24/63/05/171246305.db2.gz NPLJHTZWUYOVPM-XZJROXQQSA-N 0 0 267.363 4.838 10 0 CJAERN CC(C)(C)c1ccc(NCc2c(F)cccc2F)cc1 ZINC000020549461 171246369 /nfs/dbraw/zinc/24/63/69/171246369.db2.gz IELGVRDILDYYJG-UHFFFAOYSA-N 0 0 275.342 4.874 10 0 CJAERN Cc1cc(Cl)ccc1NCc1c(F)cccc1F ZINC000020549600 171246400 /nfs/dbraw/zinc/24/64/00/171246400.db2.gz QOZDGTFERSHRHF-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN CCOc1ccc(N[C@@H](C)c2ccc(C)cc2)cc1 ZINC000020549614 171246318 /nfs/dbraw/zinc/24/63/18/171246318.db2.gz IBBKFQYNLUBMID-AWEZNQCLSA-N 0 0 255.361 4.567 10 0 CJAERN CCOc1ccc(N[C@H](C)c2ccc(C)cc2)cc1 ZINC000020549615 171246236 /nfs/dbraw/zinc/24/62/36/171246236.db2.gz IBBKFQYNLUBMID-CQSZACIVSA-N 0 0 255.361 4.567 10 0 CJAERN CC(C)c1ccccc1N[C@@H]1CCc2ccccc21 ZINC000020549690 171246701 /nfs/dbraw/zinc/24/67/01/171246701.db2.gz ZIUCEUPTBDCVBY-GOSISDBHSA-N 0 0 251.373 4.909 10 0 CJAERN CC(C)c1ccccc1N[C@H]1CCc2ccccc21 ZINC000020549692 171246758 /nfs/dbraw/zinc/24/67/58/171246758.db2.gz ZIUCEUPTBDCVBY-SFHVURJKSA-N 0 0 251.373 4.909 10 0 CJAERN Fc1cc(Br)ccc1NC1CCCCCC1 ZINC000020549716 171246700 /nfs/dbraw/zinc/24/67/00/171246700.db2.gz HTUOAILHJPWDTF-UHFFFAOYSA-N 0 0 286.188 4.723 10 0 CJAERN CCOc1ccc(OCC)c(N[C@@H](C)CCC(C)C)c1 ZINC000020549783 171246740 /nfs/dbraw/zinc/24/67/40/171246740.db2.gz YPKUJFUYXUQQTB-AWEZNQCLSA-N 0 0 279.424 4.721 10 0 CJAERN CCOc1ccc(OCC)c(N[C@H](C)CCC(C)C)c1 ZINC000020549785 171246824 /nfs/dbraw/zinc/24/68/24/171246824.db2.gz YPKUJFUYXUQQTB-CQSZACIVSA-N 0 0 279.424 4.721 10 0 CJAERN CCN(c1ccc(F)cc1N)c1cccc2ccccc21 ZINC000020549868 171246848 /nfs/dbraw/zinc/24/68/48/171246848.db2.gz YHXAETOEHOXOPS-UHFFFAOYSA-N 0 0 280.346 4.719 10 0 CJAERN CC(C)c1ccc(NCc2ccc3ccccc3n2)cc1 ZINC000020550039 171246627 /nfs/dbraw/zinc/24/66/27/171246627.db2.gz VKKZWDQEHUSGPD-UHFFFAOYSA-N 0 0 276.383 4.970 10 0 CJAERN CC[C@@H](Nc1ccc(F)c(F)c1F)c1ccccc1 ZINC000020550136 171246571 /nfs/dbraw/zinc/24/65/71/171246571.db2.gz ZGXMNOOQQGEZFB-GFCCVEGCSA-N 0 0 265.278 4.667 10 0 CJAERN CC[C@H](Nc1ccc(F)c(F)c1F)c1ccccc1 ZINC000020550137 171246659 /nfs/dbraw/zinc/24/66/59/171246659.db2.gz ZGXMNOOQQGEZFB-LBPRGKRZSA-N 0 0 265.278 4.667 10 0 CJAERN Cc1cc(C)c(CNc2ccc(F)c(F)c2F)c(C)c1 ZINC000020550188 171246786 /nfs/dbraw/zinc/24/67/86/171246786.db2.gz HMFXSRSUTHHRRK-UHFFFAOYSA-N 0 0 279.305 4.641 10 0 CJAERN FC(F)(F)c1ccccc1NCC1CCCCC1 ZINC000020550214 171246556 /nfs/dbraw/zinc/24/65/56/171246556.db2.gz UDJYJJPWJWBYNK-UHFFFAOYSA-N 0 0 257.299 4.698 10 0 CJAERN Cc1cccc(CNc2ccc(Br)cc2C)c1 ZINC000020550294 171246894 /nfs/dbraw/zinc/24/68/94/171246894.db2.gz QALUDYRMDIJVJK-UHFFFAOYSA-N 0 0 290.204 4.678 10 0 CJAERN Fc1cc(F)cc(NCc2ccc(Cl)cc2Cl)c1 ZINC000020550309 171246936 /nfs/dbraw/zinc/24/69/36/171246936.db2.gz MBKXXUXJBYCUKZ-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN C[C@@H](Nc1ccc(F)cc1F)c1ccccc1Cl ZINC000020550342 171246940 /nfs/dbraw/zinc/24/69/40/171246940.db2.gz CTSCGMJJYSGFDB-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1ccc(F)cc1F)c1ccccc1Cl ZINC000020550344 171246950 /nfs/dbraw/zinc/24/69/50/171246950.db2.gz CTSCGMJJYSGFDB-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN Cc1cc(F)ccc1NCc1ccc2ccccc2c1 ZINC000020551274 171247108 /nfs/dbraw/zinc/24/71/08/171247108.db2.gz MOVXBDPNKHRQGE-UHFFFAOYSA-N 0 0 265.331 4.899 10 0 CJAERN CCc1cccc(N[C@H](CC)c2ccc(OC)cc2)c1 ZINC000020551305 171247187 /nfs/dbraw/zinc/24/71/87/171247187.db2.gz IGKGHHWPBNWYQR-GOSISDBHSA-N 0 0 269.388 4.821 10 0 CJAERN CCc1cccc(N[C@@H](CC)c2ccc(OC)cc2)c1 ZINC000020551306 171247138 /nfs/dbraw/zinc/24/71/38/171247138.db2.gz IGKGHHWPBNWYQR-SFHVURJKSA-N 0 0 269.388 4.821 10 0 CJAERN Cc1c(Cl)cccc1NCc1c(F)cccc1F ZINC000020551322 171247067 /nfs/dbraw/zinc/24/70/67/171247067.db2.gz QEHNEYKFDUNDTB-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN CC(=O)c1cc(F)ccc1Sc1ccccc1Cl ZINC000020551720 171247605 /nfs/dbraw/zinc/24/76/05/171247605.db2.gz QFABDGWCKNLPRJ-UHFFFAOYSA-N 0 0 280.751 4.833 10 0 CJAERN c1ccc2sc(NC3CCCCCCC3)nc2c1 ZINC000020551723 171247291 /nfs/dbraw/zinc/24/72/91/171247291.db2.gz MDFWRUWDMIIVLA-UHFFFAOYSA-N 0 0 260.406 4.821 10 0 CJAERN c1ccc(CNc2ccccc2Cc2ccccc2)cc1 ZINC000020551729 171247534 /nfs/dbraw/zinc/24/75/34/171247534.db2.gz PIOPQUSIEQSLNQ-UHFFFAOYSA-N 0 0 273.379 4.890 10 0 CJAERN C[C@@H](NCc1c(Cl)cccc1Cl)c1cccc(F)c1 ZINC000020551826 171247336 /nfs/dbraw/zinc/24/73/36/171247336.db2.gz CICBUSACUMIUNR-SNVBAGLBSA-N 0 0 298.188 4.983 10 0 CJAERN C[C@H](NCc1c(Cl)cccc1Cl)c1cccc(F)c1 ZINC000020551827 171247328 /nfs/dbraw/zinc/24/73/28/171247328.db2.gz CICBUSACUMIUNR-JTQLQIEISA-N 0 0 298.188 4.983 10 0 CJAERN CCc1ccccc1N[C@@H](C)CCc1ccccc1 ZINC000020551928 171247306 /nfs/dbraw/zinc/24/73/06/171247306.db2.gz DUAXJOCWACMSQA-HNNXBMFYSA-N 0 0 253.389 4.682 10 0 CJAERN CCc1ccccc1N[C@H](C)CCc1ccccc1 ZINC000020551929 171247536 /nfs/dbraw/zinc/24/75/36/171247536.db2.gz DUAXJOCWACMSQA-OAHLLOKOSA-N 0 0 253.389 4.682 10 0 CJAERN C[C@@H]1CCC[C@@H](C)C1Nc1cccc2c1CCCC2 ZINC000020552066 171247321 /nfs/dbraw/zinc/24/73/21/171247321.db2.gz WKWWLSVXYZOLAA-ZIAGYGMSSA-N 0 0 257.421 4.802 10 0 CJAERN C[C@@H]1CCC[C@H](C)C1Nc1cccc2c1CCCC2 ZINC000020552067 171247609 /nfs/dbraw/zinc/24/76/09/171247609.db2.gz WKWWLSVXYZOLAA-UUVAVEHKSA-N 0 0 257.421 4.802 10 0 CJAERN C[C@H]1CCC[C@H](C)C1Nc1cccc2c1CCCC2 ZINC000020552068 171247503 /nfs/dbraw/zinc/24/75/03/171247503.db2.gz WKWWLSVXYZOLAA-KBPBESRZSA-N 0 0 257.421 4.802 10 0 CJAERN CCOc1ccccc1[C@@H](C)Nc1ccc2c(c1)CCC2 ZINC000020552104 171247586 /nfs/dbraw/zinc/24/75/86/171247586.db2.gz LVZFKDHYIKUCPD-CQSZACIVSA-N 0 0 281.399 4.747 10 0 CJAERN CCOc1ccccc1[C@H](C)Nc1ccc2c(c1)CCC2 ZINC000020552105 171247467 /nfs/dbraw/zinc/24/74/67/171247467.db2.gz LVZFKDHYIKUCPD-AWEZNQCLSA-N 0 0 281.399 4.747 10 0 CJAERN COc1ccc(Cl)cc1NC1CCCCCCC1 ZINC000020552155 171247356 /nfs/dbraw/zinc/24/73/56/171247356.db2.gz DSGQUDLYQSHLSU-UHFFFAOYSA-N 0 0 267.800 4.873 10 0 CJAERN CCCOc1ccc(CNc2cc(C)cc(C)c2)cc1 ZINC000020552183 171247345 /nfs/dbraw/zinc/24/73/45/171247345.db2.gz MKQMCENMQTYRKI-UHFFFAOYSA-N 0 0 269.388 4.704 10 0 CJAERN CC(C)c1ccc(CNc2cccc3cccnc32)cc1 ZINC000020552209 171247446 /nfs/dbraw/zinc/24/74/46/171247446.db2.gz YANBQCUTLRRMIT-UHFFFAOYSA-N 0 0 276.383 4.970 10 0 CJAERN Cc1cc(C)cc(N[C@@H]2CCCc3ccccc32)c1 ZINC000020552216 171247708 /nfs/dbraw/zinc/24/77/08/171247708.db2.gz ZSEJXAIBGQLPAQ-GOSISDBHSA-N 0 0 251.373 4.793 10 0 CJAERN Cc1cc(C)cc(N[C@H]2CCCc3ccccc32)c1 ZINC000020552217 171247706 /nfs/dbraw/zinc/24/77/06/171247706.db2.gz ZSEJXAIBGQLPAQ-SFHVURJKSA-N 0 0 251.373 4.793 10 0 CJAERN Cc1ccccc1CNc1ccc(Cl)c(Cl)c1 ZINC000020552311 171247921 /nfs/dbraw/zinc/24/79/21/171247921.db2.gz SMPBNAGIIXUXQH-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN COc1ccccc1[C@@H](C)Nc1cc(Cl)ccc1C ZINC000020552331 171247812 /nfs/dbraw/zinc/24/78/12/171247812.db2.gz OSYWOONBMXCEFS-GFCCVEGCSA-N 0 0 275.779 4.830 10 0 CJAERN COc1ccccc1[C@H](C)Nc1cc(Cl)ccc1C ZINC000020552332 171247659 /nfs/dbraw/zinc/24/76/59/171247659.db2.gz OSYWOONBMXCEFS-LBPRGKRZSA-N 0 0 275.779 4.830 10 0 CJAERN COc1ccccc1[C@@H](C)Nc1ccc(C(C)C)cc1 ZINC000020552414 171247885 /nfs/dbraw/zinc/24/78/85/171247885.db2.gz HMEWATIBRIBDTI-CQSZACIVSA-N 0 0 269.388 4.992 10 0 CJAERN COc1ccccc1[C@H](C)Nc1ccc(C(C)C)cc1 ZINC000020552415 171247707 /nfs/dbraw/zinc/24/77/07/171247707.db2.gz HMEWATIBRIBDTI-AWEZNQCLSA-N 0 0 269.388 4.992 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc3c(c2)OC(F)(F)O3)s1 ZINC000020552431 171247705 /nfs/dbraw/zinc/24/77/05/171247705.db2.gz PLCRMAIBHGYGHE-SECBINFHSA-N 0 0 297.326 4.551 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc3c(c2)OC(F)(F)O3)s1 ZINC000020552432 171247743 /nfs/dbraw/zinc/24/77/43/171247743.db2.gz PLCRMAIBHGYGHE-VIFPVBQESA-N 0 0 297.326 4.551 10 0 CJAERN Fc1ccc(N[C@@H]2CCCCc3ccccc32)cc1 ZINC000020552474 171247665 /nfs/dbraw/zinc/24/76/65/171247665.db2.gz HYSYBMVQMRFRHR-QGZVFWFLSA-N 0 0 255.336 4.705 10 0 CJAERN Fc1ccc(N[C@H]2CCCCc3ccccc32)cc1 ZINC000020552475 171247767 /nfs/dbraw/zinc/24/77/67/171247767.db2.gz HYSYBMVQMRFRHR-KRWDZBQOSA-N 0 0 255.336 4.705 10 0 CJAERN CC(=O)c1c(F)cccc1Oc1ccc(Cl)c(C)c1 ZINC000020552512 171247662 /nfs/dbraw/zinc/24/76/62/171247662.db2.gz BNMWLLMOGSETKG-UHFFFAOYSA-N 0 0 278.710 4.782 10 0 CJAERN C[C@@H](Nc1ccccc1Cl)c1cc(F)ccc1F ZINC000020552585 171247728 /nfs/dbraw/zinc/24/77/28/171247728.db2.gz TYNDUZYYBIWQHE-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1ccccc1Cl)c1cc(F)ccc1F ZINC000020552586 171247718 /nfs/dbraw/zinc/24/77/18/171247718.db2.gz TYNDUZYYBIWQHE-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN CCOc1ccccc1[C@@H](C)Nc1ccc(CC)cc1 ZINC000020552613 171247805 /nfs/dbraw/zinc/24/78/05/171247805.db2.gz ZVJIBWZTCHESGC-CQSZACIVSA-N 0 0 269.388 4.821 10 0 CJAERN CCOc1ccccc1[C@H](C)Nc1ccc(CC)cc1 ZINC000020552614 171247850 /nfs/dbraw/zinc/24/78/50/171247850.db2.gz ZVJIBWZTCHESGC-AWEZNQCLSA-N 0 0 269.388 4.821 10 0 CJAERN CCC(CC)CNc1cc(C)c(Cl)cc1OC ZINC000020552616 171247901 /nfs/dbraw/zinc/24/79/01/171247901.db2.gz YHXXNOZIOVOWMH-UHFFFAOYSA-N 0 0 255.789 4.505 10 0 CJAERN CC[C@@H](Nc1ccc2c(c1)CCC2)c1ccc(OC)cc1 ZINC000020552639 171247923 /nfs/dbraw/zinc/24/79/23/171247923.db2.gz QDIQVOQNGAIMIH-LJQANCHMSA-N 0 0 281.399 4.747 10 0 CJAERN CC[C@H](Nc1ccc2c(c1)CCC2)c1ccc(OC)cc1 ZINC000020552640 171247906 /nfs/dbraw/zinc/24/79/06/171247906.db2.gz QDIQVOQNGAIMIH-IBGZPJMESA-N 0 0 281.399 4.747 10 0 CJAERN CC(C)c1ccc(Sc2ccc(F)cc2N)cc1 ZINC000020552699 171248262 /nfs/dbraw/zinc/24/82/62/171248262.db2.gz ZLCTYOQPYVXLFL-UHFFFAOYSA-N 0 0 261.365 4.683 10 0 CJAERN COc1ccc([C@@H](C)Nc2ccccc2C(F)(F)F)cc1 ZINC000020552750 171248303 /nfs/dbraw/zinc/24/83/03/171248303.db2.gz OFDDVRHKEBIOLV-LLVKDONJSA-N 0 0 295.304 4.887 10 0 CJAERN COc1ccc([C@H](C)Nc2ccccc2C(F)(F)F)cc1 ZINC000020552751 171247996 /nfs/dbraw/zinc/24/79/96/171247996.db2.gz OFDDVRHKEBIOLV-NSHDSACASA-N 0 0 295.304 4.887 10 0 CJAERN Cc1ccc(Oc2ccc(F)cc2N)c(C(C)(C)C)c1 ZINC000020552836 171248399 /nfs/dbraw/zinc/24/83/99/171248399.db2.gz QQZTZEHQARGOQB-UHFFFAOYSA-N 0 0 273.351 4.806 10 0 CJAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(F)c(F)c1F ZINC000020552879 171248060 /nfs/dbraw/zinc/24/80/60/171248060.db2.gz LNDYILZBTLIIBP-SUNKGSAMSA-N 0 0 285.353 4.977 10 0 CJAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1ccc(F)c(F)c1F ZINC000020552880 171248324 /nfs/dbraw/zinc/24/83/24/171248324.db2.gz LNDYILZBTLIIBP-MJVIPROJSA-N 0 0 285.353 4.977 10 0 CJAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(F)c(F)c1F ZINC000020552881 171248381 /nfs/dbraw/zinc/24/83/81/171248381.db2.gz LNDYILZBTLIIBP-GYSYKLTISA-N 0 0 285.353 4.977 10 0 CJAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1ccc(F)c(F)c1F ZINC000020552882 171248313 /nfs/dbraw/zinc/24/83/13/171248313.db2.gz LNDYILZBTLIIBP-WDMOLILDSA-N 0 0 285.353 4.977 10 0 CJAERN Brc1ccc(NC2CCCCCCC2)cc1 ZINC000020553043 171248375 /nfs/dbraw/zinc/24/83/75/171248375.db2.gz TYFGLICNAIOIEL-UHFFFAOYSA-N 0 0 282.225 4.974 10 0 CJAERN C[C@@H](Nc1ccc(F)c(F)c1F)c1ccc(Cl)cc1 ZINC000020553065 171248170 /nfs/dbraw/zinc/24/81/70/171248170.db2.gz KXBHMPQDRGOUGF-MRVPVSSYSA-N 0 0 285.696 4.930 10 0 CJAERN C[C@H](Nc1ccc(F)c(F)c1F)c1ccc(Cl)cc1 ZINC000020553066 171248086 /nfs/dbraw/zinc/24/80/86/171248086.db2.gz KXBHMPQDRGOUGF-QMMMGPOBSA-N 0 0 285.696 4.930 10 0 CJAERN CC(C)c1cccc(NCc2ccc(F)cc2F)c1 ZINC000020553090 171248630 /nfs/dbraw/zinc/24/86/30/171248630.db2.gz INOPQLZCWGNIQH-UHFFFAOYSA-N 0 0 261.315 4.700 10 0 CJAERN Cc1ccc(F)cc1NCc1ccc(C(F)(F)F)cc1 ZINC000020553151 171248714 /nfs/dbraw/zinc/24/87/14/171248714.db2.gz XEJFUZBYWTZWBY-UHFFFAOYSA-N 0 0 283.268 4.765 10 0 CJAERN Cc1ccc(NC2CCCCCC2)c(Br)c1 ZINC000020553231 171248824 /nfs/dbraw/zinc/24/88/24/171248824.db2.gz BAPZEMULVFHSKO-UHFFFAOYSA-N 0 0 282.225 4.892 10 0 CJAERN Fc1ccc(NC2CCCCCCC2)c(F)c1F ZINC000020553265 171248691 /nfs/dbraw/zinc/24/86/91/171248691.db2.gz UYMFVSQPCOKXPP-UHFFFAOYSA-N 0 0 257.299 4.629 10 0 CJAERN CC[C@@H](Nc1ccc(F)c(F)c1)c1ccc(C)cc1 ZINC000020553287 171248778 /nfs/dbraw/zinc/24/87/78/171248778.db2.gz IFAIDIXWYXEXGL-MRXNPFEDSA-N 0 0 261.315 4.836 10 0 CJAERN CC[C@H](Nc1ccc(F)c(F)c1)c1ccc(C)cc1 ZINC000020553288 171248575 /nfs/dbraw/zinc/24/85/75/171248575.db2.gz IFAIDIXWYXEXGL-INIZCTEOSA-N 0 0 261.315 4.836 10 0 CJAERN Cc1cc(Br)ccc1NC1[C@H](C)CCC[C@H]1C ZINC000020553300 171248952 /nfs/dbraw/zinc/24/89/52/171248952.db2.gz YNBHWFCOTFQJRP-GHMZBOCLSA-N 0 0 296.252 4.994 10 0 CJAERN Cc1cc(Br)ccc1NC1[C@H](C)CCC[C@@H]1C ZINC000020553301 171248566 /nfs/dbraw/zinc/24/85/66/171248566.db2.gz YNBHWFCOTFQJRP-YWXMQNBFSA-N 0 0 296.252 4.994 10 0 CJAERN Cc1cc(Br)ccc1NC1[C@@H](C)CCC[C@@H]1C ZINC000020553302 171248938 /nfs/dbraw/zinc/24/89/38/171248938.db2.gz YNBHWFCOTFQJRP-QWRGUYRKSA-N 0 0 296.252 4.994 10 0 CJAERN CC[C@@H](Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1 ZINC000020553303 171248520 /nfs/dbraw/zinc/24/85/20/171248520.db2.gz WMOYHQAVOAPXPR-CYBMUJFWSA-N 0 0 291.297 4.571 10 0 CJAERN CC[C@H](Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1 ZINC000020553304 171248867 /nfs/dbraw/zinc/24/88/67/171248867.db2.gz WMOYHQAVOAPXPR-ZDUSSCGKSA-N 0 0 291.297 4.571 10 0 CJAERN Cc1ccc(CNc2ccc(OC(F)(F)F)cc2)cc1 ZINC000020553358 171248705 /nfs/dbraw/zinc/24/87/05/171248705.db2.gz FFNSKVUWSJPMKN-UHFFFAOYSA-N 0 0 281.277 4.506 10 0 CJAERN Cc1cc(C)cc(N[C@@H]2CCSc3ccccc32)c1 ZINC000020553385 171248542 /nfs/dbraw/zinc/24/85/42/171248542.db2.gz NVLCTVSNEGRNOE-MRXNPFEDSA-N 0 0 269.413 4.952 10 0 CJAERN Cc1cc(C)cc(N[C@H]2CCSc3ccccc32)c1 ZINC000020553386 171248558 /nfs/dbraw/zinc/24/85/58/171248558.db2.gz NVLCTVSNEGRNOE-INIZCTEOSA-N 0 0 269.413 4.952 10 0 CJAERN Cc1cc([C@@H](C)Nc2ccc(F)cc2F)c(C)s1 ZINC000020553409 171248917 /nfs/dbraw/zinc/24/89/17/171248917.db2.gz VSBQAENWXPGVIP-SECBINFHSA-N 0 0 267.344 4.816 10 0 CJAERN Cc1cc([C@H](C)Nc2ccc(F)cc2F)c(C)s1 ZINC000020553410 171248614 /nfs/dbraw/zinc/24/86/14/171248614.db2.gz VSBQAENWXPGVIP-VIFPVBQESA-N 0 0 267.344 4.816 10 0 CJAERN Cc1ccc(NCc2ccc3ccccc3c2)cc1F ZINC000020553449 171248537 /nfs/dbraw/zinc/24/85/37/171248537.db2.gz DIRMRMCYMZVRKQ-UHFFFAOYSA-N 0 0 265.331 4.899 10 0 CJAERN CC(=O)c1ccc(O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c(F)c1 ZINC000020553677 171249155 /nfs/dbraw/zinc/24/91/55/171249155.db2.gz OHQXBMZYDJOSFK-DWQUBVKVSA-N 0 0 292.394 4.868 10 0 CJAERN CC(=O)c1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(F)c1 ZINC000020553682 171249430 /nfs/dbraw/zinc/24/94/30/171249430.db2.gz OHQXBMZYDJOSFK-PNPHSEOMSA-N 0 0 292.394 4.868 10 0 CJAERN Cc1cccc(NCc2ccc([C@H]3C[C@H]3C)o2)c1C ZINC000020553688 171249322 /nfs/dbraw/zinc/24/93/22/171249322.db2.gz SNWXNJBUCXRMNX-DOMZBBRYSA-N 0 0 255.361 4.632 10 0 CJAERN Cc1cccc(NCc2ccc([C@H]3C[C@@H]3C)o2)c1C ZINC000020553691 171249345 /nfs/dbraw/zinc/24/93/45/171249345.db2.gz SNWXNJBUCXRMNX-WFASDCNBSA-N 0 0 255.361 4.632 10 0 CJAERN Cc1cccc(NCc2ccc([C@@H]3C[C@H]3C)o2)c1C ZINC000020553693 171249400 /nfs/dbraw/zinc/24/94/00/171249400.db2.gz SNWXNJBUCXRMNX-IUODEOHRSA-N 0 0 255.361 4.632 10 0 CJAERN Cc1cccc(NCc2ccc([C@@H]3C[C@@H]3C)o2)c1C ZINC000020553695 171249082 /nfs/dbraw/zinc/24/90/82/171249082.db2.gz SNWXNJBUCXRMNX-SWLSCSKDSA-N 0 0 255.361 4.632 10 0 CJAERN Nc1cc(F)ccc1Oc1cc(Cl)ccc1Cl ZINC000020553733 171249328 /nfs/dbraw/zinc/24/93/28/171249328.db2.gz YERRLMLIXGYSRQ-UHFFFAOYSA-N 0 0 272.106 4.507 10 0 CJAERN CCOc1ccc(CNc2ccc(Cl)cc2C)cc1 ZINC000020553784 171249191 /nfs/dbraw/zinc/24/91/91/171249191.db2.gz STWGKTCRQSACNL-UHFFFAOYSA-N 0 0 275.779 4.659 10 0 CJAERN CC[C@@H](Nc1cc(F)ccc1F)c1ccc(C)cc1 ZINC000020553904 171249412 /nfs/dbraw/zinc/24/94/12/171249412.db2.gz MKKZEEJNFVIYJD-OAHLLOKOSA-N 0 0 261.315 4.836 10 0 CJAERN CC[C@H](Nc1cc(F)ccc1F)c1ccc(C)cc1 ZINC000020553906 171249251 /nfs/dbraw/zinc/24/92/51/171249251.db2.gz MKKZEEJNFVIYJD-HNNXBMFYSA-N 0 0 261.315 4.836 10 0 CJAERN CCOc1ccccc1[C@@H](C)Nc1cc(F)ccc1F ZINC000020554016 171249374 /nfs/dbraw/zinc/24/93/74/171249374.db2.gz BHVCMKMWBVKXBS-LLVKDONJSA-N 0 0 277.314 4.537 10 0 CJAERN CCOc1ccccc1[C@H](C)Nc1cc(F)ccc1F ZINC000020554018 171249405 /nfs/dbraw/zinc/24/94/05/171249405.db2.gz BHVCMKMWBVKXBS-NSHDSACASA-N 0 0 277.314 4.537 10 0 CJAERN C[C@@H](Nc1cccc(OC(F)(F)F)c1)c1ccc(F)cc1 ZINC000020554232 171249312 /nfs/dbraw/zinc/24/93/12/171249312.db2.gz CLBZBHNLBJGDFX-SNVBAGLBSA-N 0 0 299.267 4.897 10 0 CJAERN C[C@H](Nc1cccc(OC(F)(F)F)c1)c1ccc(F)cc1 ZINC000020554234 171249214 /nfs/dbraw/zinc/24/92/14/171249214.db2.gz CLBZBHNLBJGDFX-JTQLQIEISA-N 0 0 299.267 4.897 10 0 CJAERN Cc1cc(C)c(CNc2ccc3c(c2)CCC3)c(C)c1 ZINC000020554278 171249085 /nfs/dbraw/zinc/24/90/85/171249085.db2.gz IZQKKVXXDCDOOL-UHFFFAOYSA-N 0 0 265.400 4.713 10 0 CJAERN COc1ccc(C)cc1[C@@H](C)Nc1cc(C)cc(C)c1 ZINC000020554492 171249617 /nfs/dbraw/zinc/24/96/17/171249617.db2.gz NYZCSAXICBGCKV-OAHLLOKOSA-N 0 0 269.388 4.794 10 0 CJAERN COc1ccc(C)cc1[C@H](C)Nc1cc(C)cc(C)c1 ZINC000020554494 171249665 /nfs/dbraw/zinc/24/96/65/171249665.db2.gz NYZCSAXICBGCKV-HNNXBMFYSA-N 0 0 269.388 4.794 10 0 CJAERN FC(F)(F)c1ccccc1NCc1ccccc1Cl ZINC000020554733 171249672 /nfs/dbraw/zinc/24/96/72/171249672.db2.gz IXFVAUHQTPPDID-UHFFFAOYSA-N 0 0 285.696 4.971 10 0 CJAERN C[C@@H](Nc1ccc(Cl)cc1Cl)c1cccc(O)c1 ZINC000020555504 171249742 /nfs/dbraw/zinc/24/97/42/171249742.db2.gz QVNPHOZNNGRZPM-SECBINFHSA-N 0 0 282.170 4.872 10 0 CJAERN C[C@H](Nc1ccc(Cl)cc1Cl)c1cccc(O)c1 ZINC000020555506 171249746 /nfs/dbraw/zinc/24/97/46/171249746.db2.gz QVNPHOZNNGRZPM-VIFPVBQESA-N 0 0 282.170 4.872 10 0 CJAERN CCC1CCC(Nc2ccc(OC)c(Cl)c2)CC1 ZINC000020555548 171249997 /nfs/dbraw/zinc/24/99/97/171249997.db2.gz YQGHEDZCFQEAKF-UHFFFAOYSA-N 0 0 267.800 4.729 10 0 CJAERN COc1ccc(OC)c(N[C@@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC000020555728 171249807 /nfs/dbraw/zinc/24/98/07/171249807.db2.gz UYVHAGRMLPGXIV-LSDHHAIUSA-N 0 0 291.435 4.721 10 0 CJAERN COc1ccc(OC)c(N[C@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC000020555731 171250008 /nfs/dbraw/zinc/25/00/08/171250008.db2.gz UYVHAGRMLPGXIV-GJZGRUSLSA-N 0 0 291.435 4.721 10 0 CJAERN COc1ccc(OC)c(N[C@@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC000020555734 171249711 /nfs/dbraw/zinc/24/97/11/171249711.db2.gz UYVHAGRMLPGXIV-HUUCEWRRSA-N 0 0 291.435 4.721 10 0 CJAERN COc1ccc(OC)c(N[C@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC000020555737 171249810 /nfs/dbraw/zinc/24/98/10/171249810.db2.gz UYVHAGRMLPGXIV-CABCVRRESA-N 0 0 291.435 4.721 10 0 CJAERN CC(=O)c1cc(F)ccc1Oc1ccc(C(C)C)cc1 ZINC000020555966 171249845 /nfs/dbraw/zinc/24/98/45/171249845.db2.gz FOQBLIBGVRNCNY-UHFFFAOYSA-N 0 0 272.319 4.944 10 0 CJAERN Fc1ccc(NC2CCC(c3ccccc3)CC2)cc1 ZINC000020555976 171249800 /nfs/dbraw/zinc/24/98/00/171249800.db2.gz LIOPAGDZKUUPPE-UHFFFAOYSA-N 0 0 269.363 4.964 10 0 CJAERN Cc1cccc(NCc2ccc(Cl)c(Cl)c2)c1 ZINC000020556083 171250024 /nfs/dbraw/zinc/25/00/24/171250024.db2.gz XGTWZXWVJFMZGT-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN CCCCC1CCC(c2nc3cc(N)ccc3o2)CC1 ZINC000020556290 171249979 /nfs/dbraw/zinc/24/99/79/171249979.db2.gz RIZYWEDFBIOPIE-UHFFFAOYSA-N 0 0 272.392 4.874 10 0 CJAERN CC(=O)c1c(F)cccc1Sc1cc(C)ccc1C ZINC000020556447 171250092 /nfs/dbraw/zinc/25/00/92/171250092.db2.gz CDLQXRUBLBFOGT-UHFFFAOYSA-N 0 0 274.360 4.796 10 0 CJAERN Cc1cc(C)c(CNc2cc(F)ccc2F)c(C)c1 ZINC000020556520 171249833 /nfs/dbraw/zinc/24/98/33/171249833.db2.gz WVEHRNAFAURWTE-UHFFFAOYSA-N 0 0 261.315 4.502 10 0 CJAERN COc1ccc(N[C@@H](C)c2c(C)cc(C)cc2C)cc1 ZINC000020556618 171250344 /nfs/dbraw/zinc/25/03/44/171250344.db2.gz LZMIEDZCQCXOFC-HNNXBMFYSA-N 0 0 269.388 4.794 10 0 CJAERN COc1ccc(N[C@H](C)c2c(C)cc(C)cc2C)cc1 ZINC000020556620 171250373 /nfs/dbraw/zinc/25/03/73/171250373.db2.gz LZMIEDZCQCXOFC-OAHLLOKOSA-N 0 0 269.388 4.794 10 0 CJAERN COc1ccccc1CNc1ccc(C(C)(C)C)cc1 ZINC000020556958 171250339 /nfs/dbraw/zinc/25/03/39/171250339.db2.gz IUYMKRWIWVQZNG-UHFFFAOYSA-N 0 0 269.388 4.605 10 0 CJAERN FC(F)Oc1ccc(NC2CCCCC2)cc1Cl ZINC000020557104 171250261 /nfs/dbraw/zinc/25/02/61/171250261.db2.gz GYGKOQLZHUCLDK-UHFFFAOYSA-N 0 0 275.726 4.686 10 0 CJAERN CCOc1ccccc1N[C@@H](C)c1ccc(CC)cc1 ZINC000020557159 171250518 /nfs/dbraw/zinc/25/05/18/171250518.db2.gz RQQIATKRSBJKCY-AWEZNQCLSA-N 0 0 269.388 4.821 10 0 CJAERN CCOc1ccccc1N[C@H](C)c1ccc(CC)cc1 ZINC000020557161 171250392 /nfs/dbraw/zinc/25/03/92/171250392.db2.gz RQQIATKRSBJKCY-CQSZACIVSA-N 0 0 269.388 4.821 10 0 CJAERN Cc1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1C ZINC000020557182 171250371 /nfs/dbraw/zinc/25/03/71/171250371.db2.gz VJYNBKISOHGBBY-UHFFFAOYSA-N 0 0 295.304 4.814 10 0 CJAERN C[C@@H]1C[C@@H](Nc2ccc3c(c2)CCC3)CC(C)(C)C1 ZINC000020557339 171250522 /nfs/dbraw/zinc/25/05/22/171250522.db2.gz CCIVDFYOJSAVQV-CXAGYDPISA-N 0 0 257.421 4.802 10 0 CJAERN C[C@H]1C[C@@H](Nc2ccc3c(c2)CCC3)CC(C)(C)C1 ZINC000020557341 171250433 /nfs/dbraw/zinc/25/04/33/171250433.db2.gz CCIVDFYOJSAVQV-SUMWQHHRSA-N 0 0 257.421 4.802 10 0 CJAERN C[C@@H]1C[C@H](Nc2ccc3c(c2)CCC3)CC(C)(C)C1 ZINC000020557343 171250487 /nfs/dbraw/zinc/25/04/87/171250487.db2.gz CCIVDFYOJSAVQV-DYVFJYSZSA-N 0 0 257.421 4.802 10 0 CJAERN C[C@H]1C[C@H](Nc2ccc3c(c2)CCC3)CC(C)(C)C1 ZINC000020557345 171250336 /nfs/dbraw/zinc/25/03/36/171250336.db2.gz CCIVDFYOJSAVQV-GUYCJALGSA-N 0 0 257.421 4.802 10 0 CJAERN CCCCC[C@@H](C)Nc1ccc(OC(F)F)cc1 ZINC000020557411 171250434 /nfs/dbraw/zinc/25/04/34/171250434.db2.gz JSJHZTKMELRSGV-LLVKDONJSA-N 0 0 257.324 4.669 10 0 CJAERN CCCCC[C@H](C)Nc1ccc(OC(F)F)cc1 ZINC000020557413 171250267 /nfs/dbraw/zinc/25/02/67/171250267.db2.gz JSJHZTKMELRSGV-NSHDSACASA-N 0 0 257.324 4.669 10 0 CJAERN CC[C@@H](Nc1cccc2ncccc21)c1cccs1 ZINC000020557429 171250230 /nfs/dbraw/zinc/25/02/30/171250230.db2.gz PYMFWXCPWXZOFX-CYBMUJFWSA-N 0 0 268.385 4.860 10 0 CJAERN CC[C@H](Nc1cccc2ncccc21)c1cccs1 ZINC000020557431 171250241 /nfs/dbraw/zinc/25/02/41/171250241.db2.gz PYMFWXCPWXZOFX-ZDUSSCGKSA-N 0 0 268.385 4.860 10 0 CJAERN CCc1ccc([C@@H](C)Nc2ccccc2CC)cc1 ZINC000020557433 171250203 /nfs/dbraw/zinc/25/02/03/171250203.db2.gz JKDIFNXOKQOQNU-CQSZACIVSA-N 0 0 253.389 4.985 10 0 CJAERN CCc1ccc([C@H](C)Nc2ccccc2CC)cc1 ZINC000020557435 171250330 /nfs/dbraw/zinc/25/03/30/171250330.db2.gz JKDIFNXOKQOQNU-AWEZNQCLSA-N 0 0 253.389 4.985 10 0 CJAERN C[C@@H](Nc1ccccc1F)c1ccc(F)c(Cl)c1 ZINC000020557516 171250362 /nfs/dbraw/zinc/25/03/62/171250362.db2.gz STJFVCNDZIIIJS-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1ccccc1F)c1ccc(F)c(Cl)c1 ZINC000020557518 171250225 /nfs/dbraw/zinc/25/02/25/171250225.db2.gz STJFVCNDZIIIJS-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN CCOc1ccc(CNc2ccc(C(C)(C)C)cc2)cc1 ZINC000020557607 171250765 /nfs/dbraw/zinc/25/07/65/171250765.db2.gz PFDHBNAGOWCJCI-UHFFFAOYSA-N 0 0 283.415 4.995 10 0 CJAERN Cc1cc(F)ccc1N[C@H](C)c1ccccc1Cl ZINC000020557621 171250644 /nfs/dbraw/zinc/25/06/44/171250644.db2.gz JJDDJMURTMQLNY-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1cc(F)ccc1N[C@@H](C)c1ccccc1Cl ZINC000020557623 171250669 /nfs/dbraw/zinc/25/06/69/171250669.db2.gz JJDDJMURTMQLNY-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN CSc1ccc(NCc2ccc(F)cc2Cl)cc1 ZINC000020557712 171250587 /nfs/dbraw/zinc/25/05/87/171250587.db2.gz UCGXSEXIEGHEOS-UHFFFAOYSA-N 0 0 281.783 4.813 10 0 CJAERN CCC[C@@H](Nc1cc(OC)ccc1OC)c1ccccc1 ZINC000020557778 171250876 /nfs/dbraw/zinc/25/08/76/171250876.db2.gz HSJBMZAWHJMCNM-MRXNPFEDSA-N 0 0 285.387 4.657 10 0 CJAERN CCC[C@H](Nc1cc(OC)ccc1OC)c1ccccc1 ZINC000020557781 171250667 /nfs/dbraw/zinc/25/06/67/171250667.db2.gz HSJBMZAWHJMCNM-INIZCTEOSA-N 0 0 285.387 4.657 10 0 CJAERN COc1ccc(N[C@@H](CC(C)C)c2ccccc2)cc1 ZINC000020557815 171250627 /nfs/dbraw/zinc/25/06/27/171250627.db2.gz LSUDBLQDDUPEDG-SFHVURJKSA-N 0 0 269.388 4.895 10 0 CJAERN COc1ccc(N[C@H](CC(C)C)c2ccccc2)cc1 ZINC000020557818 171250661 /nfs/dbraw/zinc/25/06/61/171250661.db2.gz LSUDBLQDDUPEDG-GOSISDBHSA-N 0 0 269.388 4.895 10 0 CJAERN CC[C@@H](Nc1cc(Cl)ccc1OC)c1cccs1 ZINC000020557901 171250835 /nfs/dbraw/zinc/25/08/35/171250835.db2.gz ZIDXZVMWASETBO-LLVKDONJSA-N 0 0 281.808 4.973 10 0 CJAERN CC[C@H](Nc1cc(Cl)ccc1OC)c1cccs1 ZINC000020557903 171250720 /nfs/dbraw/zinc/25/07/20/171250720.db2.gz ZIDXZVMWASETBO-NSHDSACASA-N 0 0 281.808 4.973 10 0 CJAERN CC(C)CC[C@@H](C)Nc1ccccc1C(F)(F)F ZINC000020558056 171250685 /nfs/dbraw/zinc/25/06/85/171250685.db2.gz QFLLLMANXZWKSH-LLVKDONJSA-N 0 0 259.315 4.942 10 0 CJAERN CC(C)CC[C@H](C)Nc1ccccc1C(F)(F)F ZINC000020558058 171250672 /nfs/dbraw/zinc/25/06/72/171250672.db2.gz QFLLLMANXZWKSH-NSHDSACASA-N 0 0 259.315 4.942 10 0 CJAERN CC(C)C[C@@H](C)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000020558123 171250632 /nfs/dbraw/zinc/25/06/32/171250632.db2.gz IJLPQWMWRVUODZ-SECBINFHSA-N 0 0 277.742 4.788 10 0 CJAERN CC(C)C[C@H](C)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000020558125 171250811 /nfs/dbraw/zinc/25/08/11/171250811.db2.gz IJLPQWMWRVUODZ-VIFPVBQESA-N 0 0 277.742 4.788 10 0 CJAERN O=Cc1ccccc1Oc1cc(Cl)ccc1Cl ZINC000020558298 171250778 /nfs/dbraw/zinc/25/07/78/171250778.db2.gz FYFNBJBWEFPBCV-UHFFFAOYSA-N 0 0 267.111 4.598 10 0 CJAERN Cc1cc(C)c(CNc2cccc3ncccc32)c(C)c1 ZINC000020558300 171250537 /nfs/dbraw/zinc/25/05/37/171250537.db2.gz YHZIUPQNRYOHCC-UHFFFAOYSA-N 0 0 276.383 4.772 10 0 CJAERN CCc1ccc(CNc2ccc(Cl)cc2)s1 ZINC000020558309 171250597 /nfs/dbraw/zinc/25/05/97/171250597.db2.gz SCECEHDKYLKNAQ-UHFFFAOYSA-N 0 0 251.782 4.576 10 0 CJAERN CCCc1ccc(NCc2ccc(OCC)cc2)cc1 ZINC000020558363 171250728 /nfs/dbraw/zinc/25/07/28/171250728.db2.gz LWTGNPJHBYCQHF-UHFFFAOYSA-N 0 0 269.388 4.650 10 0 CJAERN CC(C)(C)c1ccc(N[C@@H]2CCOc3ccccc32)cc1 ZINC000020558579 171250678 /nfs/dbraw/zinc/25/06/78/171250678.db2.gz OGPXKIDCXJFLKQ-QGZVFWFLSA-N 0 0 281.399 4.920 10 0 CJAERN CC(C)(C)c1ccc(N[C@H]2CCOc3ccccc32)cc1 ZINC000020558581 171250702 /nfs/dbraw/zinc/25/07/02/171250702.db2.gz OGPXKIDCXJFLKQ-KRWDZBQOSA-N 0 0 281.399 4.920 10 0 CJAERN CCN(Cc1ccc(Cl)nc1)c1cccc2ccccc21 ZINC000020558700 171250981 /nfs/dbraw/zinc/25/09/81/171250981.db2.gz CEWDMYVXBWFKHV-UHFFFAOYSA-N 0 0 296.801 4.915 10 0 CJAERN COc1ccc(CNc2ccc(C(C)(C)C)cc2)cc1 ZINC000020558823 171250984 /nfs/dbraw/zinc/25/09/84/171250984.db2.gz FMAYYFLTHUWBLH-UHFFFAOYSA-N 0 0 269.388 4.605 10 0 CJAERN c1ccc2c(c1)cccc2CNc1ccc2c(c1)CCC2 ZINC000020558829 171251237 /nfs/dbraw/zinc/25/12/37/171251237.db2.gz AMVWJYJWEQOJOA-UHFFFAOYSA-N 0 0 273.379 4.941 10 0 CJAERN CCC1CCC(Nc2cccc3ncccc32)CC1 ZINC000020559106 171251031 /nfs/dbraw/zinc/25/10/31/171251031.db2.gz OJVKFMQFRCHJPL-UHFFFAOYSA-N 0 0 254.377 4.616 10 0 CJAERN CCCC(CCC)Nc1ccccc1OC(F)F ZINC000020559243 171251060 /nfs/dbraw/zinc/25/10/60/171251060.db2.gz AZJUBODJIVPREO-UHFFFAOYSA-N 0 0 257.324 4.669 10 0 CJAERN Cc1ccc(Oc2cccc(Cl)c2C=O)c(C)c1 ZINC000020559274 171251068 /nfs/dbraw/zinc/25/10/68/171251068.db2.gz XREMLOQUNUKDDX-UHFFFAOYSA-N 0 0 260.720 4.562 10 0 CJAERN COc1ccccc1N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000020559378 171251127 /nfs/dbraw/zinc/25/11/27/171251127.db2.gz PNYPIONKOVHMDZ-UONOGXRCSA-N 0 0 261.409 4.712 10 0 CJAERN COc1ccccc1N[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000020559380 171251211 /nfs/dbraw/zinc/25/12/11/171251211.db2.gz PNYPIONKOVHMDZ-KBPBESRZSA-N 0 0 261.409 4.712 10 0 CJAERN COc1ccccc1N[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000020559382 171251260 /nfs/dbraw/zinc/25/12/60/171251260.db2.gz PNYPIONKOVHMDZ-ZIAGYGMSSA-N 0 0 261.409 4.712 10 0 CJAERN COc1ccccc1N[C@H]1CCCC[C@H]1C(C)(C)C ZINC000020559384 171251078 /nfs/dbraw/zinc/25/10/78/171251078.db2.gz PNYPIONKOVHMDZ-KGLIPLIRSA-N 0 0 261.409 4.712 10 0 CJAERN FC(F)(F)c1ccc(NCC2CCCCC2)cc1 ZINC000020559404 171251246 /nfs/dbraw/zinc/25/12/46/171251246.db2.gz VJBKSPNEOLQLDJ-UHFFFAOYSA-N 0 0 257.299 4.698 10 0 CJAERN COc1cc(Cl)c(C)cc1N[C@@H]1CCCC[C@@H]1C ZINC000020559430 171251153 /nfs/dbraw/zinc/25/11/53/171251153.db2.gz DWIJGHKZPJWTFM-GXFFZTMASA-N 0 0 267.800 4.648 10 0 CJAERN COc1cc(Cl)c(C)cc1N[C@H]1CCCC[C@@H]1C ZINC000020559432 171251048 /nfs/dbraw/zinc/25/10/48/171251048.db2.gz DWIJGHKZPJWTFM-GWCFXTLKSA-N 0 0 267.800 4.648 10 0 CJAERN COc1cc(Cl)c(C)cc1N[C@@H]1CCCC[C@H]1C ZINC000020559434 171251096 /nfs/dbraw/zinc/25/10/96/171251096.db2.gz DWIJGHKZPJWTFM-ZWNOBZJWSA-N 0 0 267.800 4.648 10 0 CJAERN COc1cc(Cl)c(C)cc1N[C@H]1CCCC[C@H]1C ZINC000020559436 171251131 /nfs/dbraw/zinc/25/11/31/171251131.db2.gz DWIJGHKZPJWTFM-MFKMUULPSA-N 0 0 267.800 4.648 10 0 CJAERN CC[C@@H](Nc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC000020559470 262250806 /nfs/dbraw/zinc/25/08/06/262250806.db2.gz WSYRITVCJLCGOY-OAHLLOKOSA-N 0 0 285.387 4.575 10 0 CJAERN CC[C@H](Nc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC000020559472 262250743 /nfs/dbraw/zinc/25/07/43/262250743.db2.gz WSYRITVCJLCGOY-HNNXBMFYSA-N 0 0 285.387 4.575 10 0 CJAERN C[C@@H](Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000020559550 171251054 /nfs/dbraw/zinc/25/10/54/171251054.db2.gz MDBMMXZQCXPBJL-SSDOTTSWSA-N 0 0 287.231 4.555 10 0 CJAERN C[C@H](Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000020559552 171251187 /nfs/dbraw/zinc/25/11/87/171251187.db2.gz MDBMMXZQCXPBJL-ZETCQYMHSA-N 0 0 287.231 4.555 10 0 CJAERN CCc1cccc(NCc2c(C)cc(C)cc2C)c1 ZINC000020559801 171251560 /nfs/dbraw/zinc/25/15/60/171251560.db2.gz FRORLSKBNQIYQA-UHFFFAOYSA-N 0 0 253.389 4.786 10 0 CJAERN CCOc1ccccc1N[C@@H]1CCCCc2ccccc21 ZINC000020559860 171251567 /nfs/dbraw/zinc/25/15/67/171251567.db2.gz NIQTUAOWJGYECM-QGZVFWFLSA-N 0 0 281.399 4.965 10 0 CJAERN CCOc1ccccc1N[C@H]1CCCCc2ccccc21 ZINC000020559862 171251655 /nfs/dbraw/zinc/25/16/55/171251655.db2.gz NIQTUAOWJGYECM-KRWDZBQOSA-N 0 0 281.399 4.965 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(Cl)c2)C1 ZINC000020559873 171251490 /nfs/dbraw/zinc/25/14/90/171251490.db2.gz BDMNOURWGGPAAO-NXEZZACHSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@H]1CCC[C@@H](Nc2ccc(Cl)c(Cl)c2)C1 ZINC000020559875 171251654 /nfs/dbraw/zinc/25/16/54/171251654.db2.gz BDMNOURWGGPAAO-VHSXEESVSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2ccc(Cl)c(Cl)c2)C1 ZINC000020559877 171251492 /nfs/dbraw/zinc/25/14/92/171251492.db2.gz BDMNOURWGGPAAO-ZJUUUORDSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@H]1CCC[C@H](Nc2ccc(Cl)c(Cl)c2)C1 ZINC000020559879 171251450 /nfs/dbraw/zinc/25/14/50/171251450.db2.gz BDMNOURWGGPAAO-UWVGGRQHSA-N 0 0 258.192 4.984 10 0 CJAERN CCc1ccccc1NCc1ccccc1OC(F)(F)F ZINC000020559898 171251609 /nfs/dbraw/zinc/25/16/09/171251609.db2.gz BCOUFTZSNGJKRB-UHFFFAOYSA-N 0 0 295.304 4.760 10 0 CJAERN Cc1cc(Cl)ccc1NCc1ccc(Cl)s1 ZINC000020559957 171251530 /nfs/dbraw/zinc/25/15/30/171251530.db2.gz VALBBWFUFKUICQ-UHFFFAOYSA-N 0 0 272.200 4.975 10 0 CJAERN Fc1ccc(CNc2ccc(Cl)cc2Cl)c(F)c1 ZINC000020560237 171251431 /nfs/dbraw/zinc/25/14/31/171251431.db2.gz KKAJZDQIZXRAEM-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Cc1cc(OCc2ccc(Cl)nc2)ccc1C(C)C ZINC000020560315 171251635 /nfs/dbraw/zinc/25/16/35/171251635.db2.gz SHZFNLWWUFYFLW-UHFFFAOYSA-N 0 0 275.779 4.746 10 0 CJAERN Cc1cc(Cl)ccc1NCCCc1ccccc1 ZINC000020560463 171251621 /nfs/dbraw/zinc/25/16/21/171251621.db2.gz IPRCGYZXIRUTMZ-UHFFFAOYSA-N 0 0 259.780 4.693 10 0 CJAERN CC[C@@H](Nc1cccc(C)c1C)c1ccc(OC)cc1 ZINC000020560488 171251964 /nfs/dbraw/zinc/25/19/64/171251964.db2.gz CNLQZHHDADZVHL-QGZVFWFLSA-N 0 0 269.388 4.875 10 0 CJAERN CC[C@H](Nc1cccc(C)c1C)c1ccc(OC)cc1 ZINC000020560490 171251750 /nfs/dbraw/zinc/25/17/50/171251750.db2.gz CNLQZHHDADZVHL-KRWDZBQOSA-N 0 0 269.388 4.875 10 0 CJAERN CC(C)CC[C@@H](C)Nc1ccccc1Br ZINC000020560566 171252052 /nfs/dbraw/zinc/25/20/52/171252052.db2.gz VCYMFYJHQFTAJV-LLVKDONJSA-N 0 0 270.214 4.686 10 0 CJAERN CC(C)CC[C@H](C)Nc1ccccc1Br ZINC000020560569 171251849 /nfs/dbraw/zinc/25/18/49/171251849.db2.gz VCYMFYJHQFTAJV-NSHDSACASA-N 0 0 270.214 4.686 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc(F)c(F)c2)cc1C ZINC000020560679 171251981 /nfs/dbraw/zinc/25/19/81/171251981.db2.gz IBWDSZQNOIJGGQ-GFCCVEGCSA-N 0 0 261.315 4.755 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc(F)c(F)c2)cc1C ZINC000020560682 171251966 /nfs/dbraw/zinc/25/19/66/171251966.db2.gz IBWDSZQNOIJGGQ-LBPRGKRZSA-N 0 0 261.315 4.755 10 0 CJAERN CCOc1ccc([C@@H](C)Nc2cccc(CC)c2)cc1 ZINC000020560689 171251867 /nfs/dbraw/zinc/25/18/67/171251867.db2.gz QRUMIUJRKFFLAY-CQSZACIVSA-N 0 0 269.388 4.821 10 0 CJAERN CCOc1ccc([C@H](C)Nc2cccc(CC)c2)cc1 ZINC000020560691 171251955 /nfs/dbraw/zinc/25/19/55/171251955.db2.gz QRUMIUJRKFFLAY-AWEZNQCLSA-N 0 0 269.388 4.821 10 0 CJAERN COc1ccc([C@@H](C)Nc2cccc3c2CCCC3)cc1 ZINC000020560970 171251975 /nfs/dbraw/zinc/25/19/75/171251975.db2.gz AJUKBMHMWXCVEI-CQSZACIVSA-N 0 0 281.399 4.747 10 0 CJAERN COc1ccc([C@H](C)Nc2cccc3c2CCCC3)cc1 ZINC000020560975 171252030 /nfs/dbraw/zinc/25/20/30/171252030.db2.gz AJUKBMHMWXCVEI-AWEZNQCLSA-N 0 0 281.399 4.747 10 0 CJAERN Clc1ccc(Cl)c(NCC2CCCCC2)c1 ZINC000020560984 171251744 /nfs/dbraw/zinc/25/17/44/171251744.db2.gz NJGLOYGSXNCTGF-UHFFFAOYSA-N 0 0 258.192 4.986 10 0 CJAERN Cc1cc(C)cc(NCc2c(C)cc(C)cc2C)c1 ZINC000020561127 171251728 /nfs/dbraw/zinc/25/17/28/171251728.db2.gz AOQJBWJWTDRINL-UHFFFAOYSA-N 0 0 253.389 4.841 10 0 CJAERN Cc1ccccc1NCc1ccc(C(C)(C)C)cc1 ZINC000020561607 171251705 /nfs/dbraw/zinc/25/17/05/171251705.db2.gz WWLCDCRBBZRBQL-UHFFFAOYSA-N 0 0 253.389 4.905 10 0 CJAERN CC(C)c1ccc(CNc2ccc(F)c(F)c2)cc1 ZINC000020561700 171252374 /nfs/dbraw/zinc/25/23/74/171252374.db2.gz MLVFZRGFYFOUSX-UHFFFAOYSA-N 0 0 261.315 4.700 10 0 CJAERN CC(C)c1ccc(CNc2cccc3ncccc32)cc1 ZINC000020561791 171252416 /nfs/dbraw/zinc/25/24/16/171252416.db2.gz YEZUJDCTUCDKRG-UHFFFAOYSA-N 0 0 276.383 4.970 10 0 CJAERN CCCOc1ccccc1Oc1ccc(F)cc1C(C)=O ZINC000020561862 171252263 /nfs/dbraw/zinc/25/22/63/171252263.db2.gz LIJOFNFUXJIRPS-UHFFFAOYSA-N 0 0 288.318 4.609 10 0 CJAERN Fc1ccc(N[C@@H]2CCCCc3ccccc32)c(F)c1 ZINC000020561951 171252165 /nfs/dbraw/zinc/25/21/65/171252165.db2.gz QCGJMVJBWMRGBN-MRXNPFEDSA-N 0 0 273.326 4.844 10 0 CJAERN Fc1ccc(N[C@H]2CCCCc3ccccc32)c(F)c1 ZINC000020561952 171252187 /nfs/dbraw/zinc/25/21/87/171252187.db2.gz QCGJMVJBWMRGBN-INIZCTEOSA-N 0 0 273.326 4.844 10 0 CJAERN CCN(c1ccccc1N)c1cccc2ccccc21 ZINC000020562015 171252282 /nfs/dbraw/zinc/25/22/82/171252282.db2.gz MOGFNPFYLIFKIX-UHFFFAOYSA-N 0 0 262.356 4.580 10 0 CJAERN Cc1c(Cl)cccc1NC1[C@H](C)CCC[C@H]1C ZINC000020562154 171252258 /nfs/dbraw/zinc/25/22/58/171252258.db2.gz FMYUTELWYMRJRJ-GHMZBOCLSA-N 0 0 251.801 4.885 10 0 CJAERN Cc1c(Cl)cccc1NC1[C@H](C)CCC[C@@H]1C ZINC000020562155 171252327 /nfs/dbraw/zinc/25/23/27/171252327.db2.gz FMYUTELWYMRJRJ-YWXMQNBFSA-N 0 0 251.801 4.885 10 0 CJAERN Cc1c(Cl)cccc1NC1[C@@H](C)CCC[C@@H]1C ZINC000020562158 171252287 /nfs/dbraw/zinc/25/22/87/171252287.db2.gz FMYUTELWYMRJRJ-QWRGUYRKSA-N 0 0 251.801 4.885 10 0 CJAERN CCC[C@@H](C)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020562355 171252500 /nfs/dbraw/zinc/25/25/00/171252500.db2.gz FFMAIFCDLSQMOX-MRVPVSSYSA-N 0 0 265.706 4.959 10 0 CJAERN CCC[C@H](C)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020562357 171252387 /nfs/dbraw/zinc/25/23/87/171252387.db2.gz FFMAIFCDLSQMOX-QMMMGPOBSA-N 0 0 265.706 4.959 10 0 CJAERN Cc1ccc(F)cc1N[C@H](C)c1ccccc1Cl ZINC000020562570 171252273 /nfs/dbraw/zinc/25/22/73/171252273.db2.gz QNBFNTCYWWNHSE-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(F)cc1N[C@@H](C)c1ccccc1Cl ZINC000020562572 171252197 /nfs/dbraw/zinc/25/21/97/171252197.db2.gz QNBFNTCYWWNHSE-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2c(F)c(F)c(F)c(F)c2F)[C@@H]1C ZINC000020562698 171252399 /nfs/dbraw/zinc/25/23/99/171252399.db2.gz VDMHPYNLCUIRKO-BWZBUEFSSA-N 0 0 293.279 4.619 10 0 CJAERN C[C@H]1[C@H](Nc2c(F)c(F)c(F)c(F)c2F)CCC[C@@H]1C ZINC000020562700 171252209 /nfs/dbraw/zinc/25/22/09/171252209.db2.gz VDMHPYNLCUIRKO-XLPZGREQSA-N 0 0 293.279 4.619 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2c(F)c(F)c(F)c(F)c2F)[C@@H]1C ZINC000020562702 171252442 /nfs/dbraw/zinc/25/24/42/171252442.db2.gz VDMHPYNLCUIRKO-PRJMDXOYSA-N 0 0 293.279 4.619 10 0 CJAERN C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1c(F)c(F)c(F)c(F)c1F ZINC000020562704 171252301 /nfs/dbraw/zinc/25/23/01/171252301.db2.gz VDMHPYNLCUIRKO-RNJXMRFFSA-N 0 0 293.279 4.619 10 0 CJAERN CC(C)CC[C@@H](C)Nc1ccccc1OC(F)F ZINC000020562968 171252686 /nfs/dbraw/zinc/25/26/86/171252686.db2.gz HMMMPLVZAQZMFV-LLVKDONJSA-N 0 0 257.324 4.525 10 0 CJAERN CC(C)CC[C@H](C)Nc1ccccc1OC(F)F ZINC000020562971 171252630 /nfs/dbraw/zinc/25/26/30/171252630.db2.gz HMMMPLVZAQZMFV-NSHDSACASA-N 0 0 257.324 4.525 10 0 CJAERN Cc1cc(C)cc(NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000020562994 171252671 /nfs/dbraw/zinc/25/26/71/171252671.db2.gz SAYLKLDVQQXZCB-UHFFFAOYSA-N 0 0 295.304 4.814 10 0 CJAERN Cc1c(Cl)cccc1N[C@H](C)c1cccc(F)c1 ZINC000020563024 171252716 /nfs/dbraw/zinc/25/27/16/171252716.db2.gz BUEMQQVIXFJKOA-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1c(Cl)cccc1N[C@@H](C)c1cccc(F)c1 ZINC000020563027 171252736 /nfs/dbraw/zinc/25/27/36/171252736.db2.gz BUEMQQVIXFJKOA-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN CCc1ccccc1N[C@@H](C)c1cc(F)ccc1F ZINC000020563117 171252590 /nfs/dbraw/zinc/25/25/90/171252590.db2.gz YYFSGBKZSBFKMY-NSHDSACASA-N 0 0 261.315 4.700 10 0 CJAERN CCc1ccccc1N[C@H](C)c1cc(F)ccc1F ZINC000020563119 171252571 /nfs/dbraw/zinc/25/25/71/171252571.db2.gz YYFSGBKZSBFKMY-LLVKDONJSA-N 0 0 261.315 4.700 10 0 CJAERN Cc1ccc(N[C@@H](C)CCc2ccccc2)cc1C ZINC000020563121 171252762 /nfs/dbraw/zinc/25/27/62/171252762.db2.gz FGQKQQSRRKOPNW-INIZCTEOSA-N 0 0 253.389 4.737 10 0 CJAERN Cc1ccc(N[C@H](C)CCc2ccccc2)cc1C ZINC000020563123 171252752 /nfs/dbraw/zinc/25/27/52/171252752.db2.gz FGQKQQSRRKOPNW-MRXNPFEDSA-N 0 0 253.389 4.737 10 0 CJAERN CCCCNc1ccc(Cl)cc1C(F)(F)F ZINC000020563205 171252737 /nfs/dbraw/zinc/25/27/37/171252737.db2.gz QULQPYCCBSLYIP-UHFFFAOYSA-N 0 0 251.679 4.571 10 0 CJAERN Cc1ccc(CNc2ccnc3cc(Cl)ccc32)cc1 ZINC000020563211 171252668 /nfs/dbraw/zinc/25/26/68/171252668.db2.gz XFBBKHYRHKFJTK-UHFFFAOYSA-N 0 0 282.774 4.809 10 0 CJAERN CC(C)c1ccccc1NCCCc1ccccc1 ZINC000020563263 171252673 /nfs/dbraw/zinc/25/26/73/171252673.db2.gz RJIXKGBHCQGVJJ-UHFFFAOYSA-N 0 0 253.389 4.855 10 0 CJAERN C[C@@H](NCc1ccccc1F)c1cc(Cl)ccc1Cl ZINC000020563445 262251092 /nfs/dbraw/zinc/25/10/92/262251092.db2.gz JABBOOZUPDECAV-SNVBAGLBSA-N 0 0 298.188 4.983 10 0 CJAERN C[C@H](NCc1ccccc1F)c1cc(Cl)ccc1Cl ZINC000020563447 262251223 /nfs/dbraw/zinc/25/12/23/262251223.db2.gz JABBOOZUPDECAV-JTQLQIEISA-N 0 0 298.188 4.983 10 0 CJAERN CCOc1ccccc1N[C@@H](CC)c1ccc(F)cc1 ZINC000020563650 171253000 /nfs/dbraw/zinc/25/30/00/171253000.db2.gz OUTXVMFFEMFCDH-HNNXBMFYSA-N 0 0 273.351 4.788 10 0 CJAERN CCOc1ccccc1N[C@H](CC)c1ccc(F)cc1 ZINC000020563652 171253102 /nfs/dbraw/zinc/25/31/02/171253102.db2.gz OUTXVMFFEMFCDH-OAHLLOKOSA-N 0 0 273.351 4.788 10 0 CJAERN CC(C)CC[C@@H](C)Nc1ccc(OC(F)(F)F)cc1 ZINC000020563720 171252880 /nfs/dbraw/zinc/25/28/80/171252880.db2.gz GXLHXAJICAQISH-LLVKDONJSA-N 0 0 275.314 4.822 10 0 CJAERN CC(C)CC[C@H](C)Nc1ccc(OC(F)(F)F)cc1 ZINC000020563722 171253256 /nfs/dbraw/zinc/25/32/56/171253256.db2.gz GXLHXAJICAQISH-NSHDSACASA-N 0 0 275.314 4.822 10 0 CJAERN C[C@@H](CNc1cccc(Br)c1)c1ccccc1 ZINC000020563828 171252914 /nfs/dbraw/zinc/25/29/14/171252914.db2.gz YBKOKQPQGNLFQQ-LBPRGKRZSA-N 0 0 290.204 4.665 10 0 CJAERN C[C@H](CNc1cccc(Br)c1)c1ccccc1 ZINC000020563830 171253206 /nfs/dbraw/zinc/25/32/06/171253206.db2.gz YBKOKQPQGNLFQQ-GFCCVEGCSA-N 0 0 290.204 4.665 10 0 CJAERN FC(F)(F)c1ccc(NCc2ccc(Cl)cc2)cc1 ZINC000020563836 171253248 /nfs/dbraw/zinc/25/32/48/171253248.db2.gz NQUGVNALQFTSIP-UHFFFAOYSA-N 0 0 285.696 4.971 10 0 CJAERN COc1cc(OC)c(N[C@@H](C)CCC(C)C)cc1Cl ZINC000020563919 171252875 /nfs/dbraw/zinc/25/28/75/171252875.db2.gz QCXFQKYZDMMELO-NSHDSACASA-N 0 0 285.815 4.594 10 0 CJAERN COc1cc(OC)c(N[C@H](C)CCC(C)C)cc1Cl ZINC000020563921 171253020 /nfs/dbraw/zinc/25/30/20/171253020.db2.gz QCXFQKYZDMMELO-LLVKDONJSA-N 0 0 285.815 4.594 10 0 CJAERN CCOc1ccccc1[C@@H](C)Nc1cc(F)cc(F)c1 ZINC000020564261 171253157 /nfs/dbraw/zinc/25/31/57/171253157.db2.gz DDCHHYSKXJTKIM-LLVKDONJSA-N 0 0 277.314 4.537 10 0 CJAERN CCOc1ccccc1[C@H](C)Nc1cc(F)cc(F)c1 ZINC000020564263 171253035 /nfs/dbraw/zinc/25/30/35/171253035.db2.gz DDCHHYSKXJTKIM-NSHDSACASA-N 0 0 277.314 4.537 10 0 CJAERN Brc1cccc(OC/C=C/c2ccccc2)c1 ZINC000020564294 171252933 /nfs/dbraw/zinc/25/29/33/171252933.db2.gz UJFWYDVKOBUKNJ-VMPITWQZSA-N 0 0 289.172 4.541 10 0 CJAERN CC[C@@H](Nc1ccc(C)c(C)c1)c1ccc(OC)cc1 ZINC000020564308 171253010 /nfs/dbraw/zinc/25/30/10/171253010.db2.gz VJERJOQLVWWHTA-GOSISDBHSA-N 0 0 269.388 4.875 10 0 CJAERN CC[C@H](Nc1ccc(C)c(C)c1)c1ccc(OC)cc1 ZINC000020564310 171253139 /nfs/dbraw/zinc/25/31/39/171253139.db2.gz VJERJOQLVWWHTA-SFHVURJKSA-N 0 0 269.388 4.875 10 0 CJAERN Cc1cc(C)cc(NCc2ccccc2OC(F)(F)F)c1 ZINC000020564392 171253328 /nfs/dbraw/zinc/25/33/28/171253328.db2.gz XJTDCEVWFFDRRH-UHFFFAOYSA-N 0 0 295.304 4.814 10 0 CJAERN CC1CCC(Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000020564412 171253698 /nfs/dbraw/zinc/25/36/98/171253698.db2.gz GAEIRNGSYFMWFY-UHFFFAOYSA-N 0 0 257.299 4.696 10 0 CJAERN Cc1ccc([C@@H](C)Nc2cc(F)cc(F)c2)cc1C ZINC000020564455 171253672 /nfs/dbraw/zinc/25/36/72/171253672.db2.gz CVRUJPJDXUQNAK-GFCCVEGCSA-N 0 0 261.315 4.755 10 0 CJAERN Cc1ccc([C@H](C)Nc2cc(F)cc(F)c2)cc1C ZINC000020564457 171253404 /nfs/dbraw/zinc/25/34/04/171253404.db2.gz CVRUJPJDXUQNAK-LBPRGKRZSA-N 0 0 261.315 4.755 10 0 CJAERN Cc1cccc(CNc2ccc(C(C)(C)C)cc2)c1 ZINC000020564581 171253389 /nfs/dbraw/zinc/25/33/89/171253389.db2.gz KVCXDQQJOYEFDE-UHFFFAOYSA-N 0 0 253.389 4.905 10 0 CJAERN Cc1ccc(C)c(NCc2c(C)cc(C)cc2C)c1 ZINC000020564600 171253333 /nfs/dbraw/zinc/25/33/33/171253333.db2.gz PEDMYPXDUXVOLJ-UHFFFAOYSA-N 0 0 253.389 4.841 10 0 CJAERN CC(=O)c1c(F)cccc1Sc1ccc(C)c(C)c1 ZINC000020564614 171253522 /nfs/dbraw/zinc/25/35/22/171253522.db2.gz DPPUZYIFZCTGSY-UHFFFAOYSA-N 0 0 274.360 4.796 10 0 CJAERN CC(C)CC(CC(C)C)Nc1ccc(F)c(F)c1 ZINC000020564678 171253357 /nfs/dbraw/zinc/25/33/57/171253357.db2.gz WCICVBZQNCTMMS-UHFFFAOYSA-N 0 0 255.352 4.838 10 0 CJAERN CSc1ccc(NCc2c(C)cc(C)cc2C)cc1 ZINC000020564771 171253650 /nfs/dbraw/zinc/25/36/50/171253650.db2.gz YUFZEMNBJMOWMC-UHFFFAOYSA-N 0 0 271.429 4.946 10 0 CJAERN CC(C)c1ccc(CNc2ccc(F)cc2F)cc1 ZINC000020564785 171253670 /nfs/dbraw/zinc/25/36/70/171253670.db2.gz YBNDGRVTUHXINI-UHFFFAOYSA-N 0 0 261.315 4.700 10 0 CJAERN Cc1c(Cl)cccc1NCc1ccc2ccccc2n1 ZINC000020564809 171253342 /nfs/dbraw/zinc/25/33/42/171253342.db2.gz ZPWUDWAPAIRGBH-UHFFFAOYSA-N 0 0 282.774 4.809 10 0 CJAERN COc1cccc([C@@H](C)Nc2cccc(Cl)c2C)c1 ZINC000020564850 171253453 /nfs/dbraw/zinc/25/34/53/171253453.db2.gz ZEYSWAQRFAOLEL-GFCCVEGCSA-N 0 0 275.779 4.830 10 0 CJAERN COc1cccc([C@H](C)Nc2cccc(Cl)c2C)c1 ZINC000020564852 171253718 /nfs/dbraw/zinc/25/37/18/171253718.db2.gz ZEYSWAQRFAOLEL-LBPRGKRZSA-N 0 0 275.779 4.830 10 0 CJAERN C[C@@H](Nc1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000020564986 171253410 /nfs/dbraw/zinc/25/34/10/171253410.db2.gz GQDZABCVISTICV-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000020564988 171253532 /nfs/dbraw/zinc/25/35/32/171253532.db2.gz GQDZABCVISTICV-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN FC(F)(F)c1ccc(NC2CCCCCCC2)nc1 ZINC000020565088 171254020 /nfs/dbraw/zinc/25/40/20/171254020.db2.gz DCHBCWWRPVXUCJ-UHFFFAOYSA-N 0 0 272.314 4.625 10 0 CJAERN Fc1cc(Br)ccc1NCC1CCCCC1 ZINC000020565093 171254098 /nfs/dbraw/zinc/25/40/98/171254098.db2.gz CMYZRFFUYGQOJC-UHFFFAOYSA-N 0 0 286.188 4.580 10 0 CJAERN C[C@@H](Nc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000020565147 171254044 /nfs/dbraw/zinc/25/40/44/171254044.db2.gz WLUCZVUFCYCHFO-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000020565149 171254148 /nfs/dbraw/zinc/25/41/48/171254148.db2.gz WLUCZVUFCYCHFO-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN Cc1ccc(CNc2cccc(C(F)(F)F)c2)s1 ZINC000020565269 171254198 /nfs/dbraw/zinc/25/41/98/171254198.db2.gz OTHLTSIKFMWOKZ-UHFFFAOYSA-N 0 0 271.307 4.687 10 0 CJAERN COc1ccccc1[C@@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000020565293 171253902 /nfs/dbraw/zinc/25/39/02/171253902.db2.gz ZNIRJZQFHLRVNG-LLVKDONJSA-N 0 0 295.304 4.887 10 0 CJAERN COc1ccccc1[C@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000020565295 171253900 /nfs/dbraw/zinc/25/39/00/171253900.db2.gz ZNIRJZQFHLRVNG-NSHDSACASA-N 0 0 295.304 4.887 10 0 CJAERN FC(F)Sc1ccccc1NCCc1ccccc1 ZINC000020565334 171254062 /nfs/dbraw/zinc/25/40/62/171254062.db2.gz QAVZQKYROXAENH-UHFFFAOYSA-N 0 0 279.355 4.656 10 0 CJAERN CCc1ccc(N[C@H](CC)c2ccc(F)cc2)cc1 ZINC000020565341 171253826 /nfs/dbraw/zinc/25/38/26/171253826.db2.gz YRKNGFYRPGUXIN-QGZVFWFLSA-N 0 0 257.352 4.951 10 0 CJAERN CCc1ccc(N[C@@H](CC)c2ccc(F)cc2)cc1 ZINC000020565343 171253872 /nfs/dbraw/zinc/25/38/72/171253872.db2.gz YRKNGFYRPGUXIN-KRWDZBQOSA-N 0 0 257.352 4.951 10 0 CJAERN C[C@@H](Nc1cccc(O)c1)c1cc(Cl)ccc1Cl ZINC000020565345 171253895 /nfs/dbraw/zinc/25/38/95/171253895.db2.gz RTCFCOMVQLMIFL-SECBINFHSA-N 0 0 282.170 4.872 10 0 CJAERN C[C@H](Nc1cccc(O)c1)c1cc(Cl)ccc1Cl ZINC000020565347 171253967 /nfs/dbraw/zinc/25/39/67/171253967.db2.gz RTCFCOMVQLMIFL-VIFPVBQESA-N 0 0 282.170 4.872 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc(F)c(F)c2F)c(C)c1 ZINC000020565418 171254112 /nfs/dbraw/zinc/25/41/12/171254112.db2.gz XXQQCBOMNBGBTP-LLVKDONJSA-N 0 0 279.305 4.894 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc(F)c(F)c2F)c(C)c1 ZINC000020565420 171254102 /nfs/dbraw/zinc/25/41/02/171254102.db2.gz XXQQCBOMNBGBTP-NSHDSACASA-N 0 0 279.305 4.894 10 0 CJAERN CC(=O)c1ccc(Oc2ccccc2C(F)(F)F)cc1 ZINC000020565462 171254051 /nfs/dbraw/zinc/25/40/51/171254051.db2.gz QWBWTFLZNKOPSA-UHFFFAOYSA-N 0 0 280.245 4.700 10 0 CJAERN Fc1ccc(N[C@@H]2CCCCc3ccccc32)c(F)c1F ZINC000020565471 171253818 /nfs/dbraw/zinc/25/38/18/171253818.db2.gz KCFCQDOFRJPTKE-CQSZACIVSA-N 0 0 291.316 4.984 10 0 CJAERN Fc1ccc(N[C@H]2CCCCc3ccccc32)c(F)c1F ZINC000020565473 171253886 /nfs/dbraw/zinc/25/38/86/171253886.db2.gz KCFCQDOFRJPTKE-AWEZNQCLSA-N 0 0 291.316 4.984 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2ccc(Cl)cc2Cl)C1 ZINC000020565523 171253949 /nfs/dbraw/zinc/25/39/49/171253949.db2.gz YCKZKSYUIQCNHS-MWLCHTKSSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@H]1CCC[C@@H](Nc2ccc(Cl)cc2Cl)C1 ZINC000020565524 171254057 /nfs/dbraw/zinc/25/40/57/171254057.db2.gz YCKZKSYUIQCNHS-GXSJLCMTSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2ccc(Cl)cc2Cl)C1 ZINC000020565525 171254100 /nfs/dbraw/zinc/25/41/00/171254100.db2.gz YCKZKSYUIQCNHS-KOLCDFICSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@H]1CCC[C@H](Nc2ccc(Cl)cc2Cl)C1 ZINC000020565526 171254120 /nfs/dbraw/zinc/25/41/20/171254120.db2.gz YCKZKSYUIQCNHS-ONGXEEELSA-N 0 0 258.192 4.984 10 0 CJAERN COc1ccc(C)cc1[C@@H](C)Nc1cccc(Cl)c1 ZINC000020565528 171253991 /nfs/dbraw/zinc/25/39/91/171253991.db2.gz VFDVLFVQSIVVBX-GFCCVEGCSA-N 0 0 275.779 4.830 10 0 CJAERN COc1ccc(C)cc1[C@H](C)Nc1cccc(Cl)c1 ZINC000020565529 171253909 /nfs/dbraw/zinc/25/39/09/171253909.db2.gz VFDVLFVQSIVVBX-LBPRGKRZSA-N 0 0 275.779 4.830 10 0 CJAERN COc1ccc(N[C@@H](C)CCC(C)C)cc1Cl ZINC000020565606 171254184 /nfs/dbraw/zinc/25/41/84/171254184.db2.gz HVKDYFISYGLZNU-NSHDSACASA-N 0 0 255.789 4.585 10 0 CJAERN COc1ccc(N[C@H](C)CCC(C)C)cc1Cl ZINC000020565607 171254065 /nfs/dbraw/zinc/25/40/65/171254065.db2.gz HVKDYFISYGLZNU-LLVKDONJSA-N 0 0 255.789 4.585 10 0 CJAERN COc1ccc(Cl)cc1N[C@@H](C)CCC(C)C ZINC000020565633 171254078 /nfs/dbraw/zinc/25/40/78/171254078.db2.gz VGPUWXGVIXQGBW-NSHDSACASA-N 0 0 255.789 4.585 10 0 CJAERN COc1ccc(Cl)cc1N[C@H](C)CCC(C)C ZINC000020565634 171253849 /nfs/dbraw/zinc/25/38/49/171253849.db2.gz VGPUWXGVIXQGBW-LLVKDONJSA-N 0 0 255.789 4.585 10 0 CJAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1ccc(Cl)nc1 ZINC000020565693 171254444 /nfs/dbraw/zinc/25/44/44/171254444.db2.gz AAIQBFLTGZSTRJ-SNPRPXQTSA-N 0 0 281.827 4.712 10 0 CJAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCc1ccc(Cl)nc1 ZINC000020565694 171254270 /nfs/dbraw/zinc/25/42/70/171254270.db2.gz AAIQBFLTGZSTRJ-QEJZJMRPSA-N 0 0 281.827 4.712 10 0 CJAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1ccc(Cl)nc1 ZINC000020565695 171254519 /nfs/dbraw/zinc/25/45/19/171254519.db2.gz AAIQBFLTGZSTRJ-YUELXQCFSA-N 0 0 281.827 4.712 10 0 CJAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCc1ccc(Cl)nc1 ZINC000020565696 171254352 /nfs/dbraw/zinc/25/43/52/171254352.db2.gz AAIQBFLTGZSTRJ-CFVMTHIKSA-N 0 0 281.827 4.712 10 0 CJAERN COc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1 ZINC000020565717 171254359 /nfs/dbraw/zinc/25/43/59/171254359.db2.gz BIRXPDHURFHIID-UHFFFAOYSA-N 0 0 282.170 4.614 10 0 CJAERN CC(C)CNc1cc(Cl)c(Cl)cc1Cl ZINC000020565923 171254400 /nfs/dbraw/zinc/25/44/00/171254400.db2.gz LFRXLOJSTOSNDT-UHFFFAOYSA-N 0 0 252.572 4.715 10 0 CJAERN Cc1cccc(NCc2ccccc2OC(F)(F)F)c1 ZINC000020565995 171254545 /nfs/dbraw/zinc/25/45/45/171254545.db2.gz JOGJCFPIAGTDLU-UHFFFAOYSA-N 0 0 281.277 4.506 10 0 CJAERN CC(=O)c1ccc(Sc2ccc(C)c(C)c2)cc1 ZINC000020566002 171254337 /nfs/dbraw/zinc/25/43/37/171254337.db2.gz WJLRGYXNXVRXSZ-UHFFFAOYSA-N 0 0 256.370 4.657 10 0 CJAERN CC1CCC(Nc2ccccc2OC(F)(F)F)CC1 ZINC000020566009 171254464 /nfs/dbraw/zinc/25/44/64/171254464.db2.gz NJEPHIGPJPCMLQ-UHFFFAOYSA-N 0 0 273.298 4.576 10 0 CJAERN Cc1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1F ZINC000020566193 171254542 /nfs/dbraw/zinc/25/45/42/171254542.db2.gz QDQGNQPTEAJWBK-UHFFFAOYSA-N 0 0 299.267 4.645 10 0 CJAERN CCOc1ccc([C@@H](C)Nc2cc(C)cc(C)c2)cc1 ZINC000020566230 171254257 /nfs/dbraw/zinc/25/42/57/171254257.db2.gz LMVFSXLFYTZBBR-OAHLLOKOSA-N 0 0 269.388 4.875 10 0 CJAERN CCOc1ccc([C@H](C)Nc2cc(C)cc(C)c2)cc1 ZINC000020566232 171254291 /nfs/dbraw/zinc/25/42/91/171254291.db2.gz LMVFSXLFYTZBBR-HNNXBMFYSA-N 0 0 269.388 4.875 10 0 CJAERN Fc1cc(F)cc(NCc2c(Cl)cccc2Cl)c1 ZINC000020566359 171254788 /nfs/dbraw/zinc/25/47/88/171254788.db2.gz YIAHPXRVNXHFEQ-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Cc1ccc(CNc2cccc(C(F)(F)F)c2)cc1 ZINC000020566412 171254918 /nfs/dbraw/zinc/25/49/18/171254918.db2.gz XRUCPMANECFMKT-UHFFFAOYSA-N 0 0 265.278 4.626 10 0 CJAERN CCOc1ccc([C@@H](C)Nc2ccc(C)c(C)c2)cc1 ZINC000020566540 171254932 /nfs/dbraw/zinc/25/49/32/171254932.db2.gz MTONNAWMZFKZST-OAHLLOKOSA-N 0 0 269.388 4.875 10 0 CJAERN CCOc1ccc([C@H](C)Nc2ccc(C)c(C)c2)cc1 ZINC000020566542 171254781 /nfs/dbraw/zinc/25/47/81/171254781.db2.gz MTONNAWMZFKZST-HNNXBMFYSA-N 0 0 269.388 4.875 10 0 CJAERN CCC(CC)CNc1ccc(Br)cc1C ZINC000020566573 171254921 /nfs/dbraw/zinc/25/49/21/171254921.db2.gz SIFZIZDKWDPTCS-UHFFFAOYSA-N 0 0 270.214 4.606 10 0 CJAERN Cc1ccc(NC2[C@H](C)CCC[C@H]2C)cc1Cl ZINC000020566662 171254807 /nfs/dbraw/zinc/25/48/07/171254807.db2.gz OZDAFECAEGVIOT-VXGBXAGGSA-N 0 0 251.801 4.885 10 0 CJAERN Cc1ccc(NC2[C@H](C)CCC[C@@H]2C)cc1Cl ZINC000020566664 171254808 /nfs/dbraw/zinc/25/48/08/171254808.db2.gz OZDAFECAEGVIOT-ODOQXGPZSA-N 0 0 251.801 4.885 10 0 CJAERN Cc1ccc(NC2[C@@H](C)CCC[C@@H]2C)cc1Cl ZINC000020566665 171254616 /nfs/dbraw/zinc/25/46/16/171254616.db2.gz OZDAFECAEGVIOT-RYUDHWBXSA-N 0 0 251.801 4.885 10 0 CJAERN CC(C)c1ccc(CNc2ccc3c(c2)CCC3)cc1 ZINC000020566670 171254934 /nfs/dbraw/zinc/25/49/34/171254934.db2.gz GCCCVYKKYRHFKP-UHFFFAOYSA-N 0 0 265.400 4.911 10 0 CJAERN CCOc1ccc(N[C@@H](C)c2ccc(C)cc2C)cc1 ZINC000020566721 171254762 /nfs/dbraw/zinc/25/47/62/171254762.db2.gz SEQIGTRLKQNQJB-HNNXBMFYSA-N 0 0 269.388 4.875 10 0 CJAERN CCOc1ccc(N[C@H](C)c2ccc(C)cc2C)cc1 ZINC000020566722 171254783 /nfs/dbraw/zinc/25/47/83/171254783.db2.gz SEQIGTRLKQNQJB-OAHLLOKOSA-N 0 0 269.388 4.875 10 0 CJAERN CC(C)[C@@H](C)Nc1ccc(Cl)cc1C(F)(F)F ZINC000020566773 171254727 /nfs/dbraw/zinc/25/47/27/171254727.db2.gz WGCSZUZYGZWCCD-MRVPVSSYSA-N 0 0 265.706 4.815 10 0 CJAERN CC(C)[C@H](C)Nc1ccc(Cl)cc1C(F)(F)F ZINC000020566774 171254624 /nfs/dbraw/zinc/25/46/24/171254624.db2.gz WGCSZUZYGZWCCD-QMMMGPOBSA-N 0 0 265.706 4.815 10 0 CJAERN COc1ccc2cc(CNc3ccc(F)cc3)ccc2c1 ZINC000020566779 171254908 /nfs/dbraw/zinc/25/49/08/171254908.db2.gz UABSMFOJXIUQPY-UHFFFAOYSA-N 0 0 281.330 4.600 10 0 CJAERN Cc1ccsc1CNc1cc(Cl)ccc1Cl ZINC000020566837 171254930 /nfs/dbraw/zinc/25/49/30/171254930.db2.gz OXTPNHLIEKHODX-UHFFFAOYSA-N 0 0 272.200 4.975 10 0 CJAERN Cc1ccc(CNc2ccc(Cl)cc2C)s1 ZINC000020566886 171254673 /nfs/dbraw/zinc/25/46/73/171254673.db2.gz JQHUVKNSDQSUME-UHFFFAOYSA-N 0 0 251.782 4.630 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2ccc(Br)cc2F)C1 ZINC000020566938 171254795 /nfs/dbraw/zinc/25/47/95/171254795.db2.gz QOAOQIIJMBTLOF-MWLCHTKSSA-N 0 0 286.188 4.579 10 0 CJAERN C[C@H]1CCC[C@@H](Nc2ccc(Br)cc2F)C1 ZINC000020566940 171254618 /nfs/dbraw/zinc/25/46/18/171254618.db2.gz QOAOQIIJMBTLOF-GXSJLCMTSA-N 0 0 286.188 4.579 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2ccc(Br)cc2F)C1 ZINC000020566942 171254754 /nfs/dbraw/zinc/25/47/54/171254754.db2.gz QOAOQIIJMBTLOF-KOLCDFICSA-N 0 0 286.188 4.579 10 0 CJAERN C[C@H]1CCC[C@H](Nc2ccc(Br)cc2F)C1 ZINC000020566943 171254772 /nfs/dbraw/zinc/25/47/72/171254772.db2.gz QOAOQIIJMBTLOF-ONGXEEELSA-N 0 0 286.188 4.579 10 0 CJAERN Nc1ccc(Cl)cc1-c1nc2cc(Cl)ccc2s1 ZINC000020566986 171254913 /nfs/dbraw/zinc/25/49/13/171254913.db2.gz TXCIVRBAEUAMOF-UHFFFAOYSA-N 0 0 295.194 4.852 10 0 CJAERN Cc1ccc(Cl)cc1NCc1ccc2ccccc2n1 ZINC000020566990 171254834 /nfs/dbraw/zinc/25/48/34/171254834.db2.gz JNGHKCDOXLIEJR-UHFFFAOYSA-N 0 0 282.774 4.809 10 0 CJAERN COc1cc(Cl)c(C)cc1NCc1ccc(Cl)cc1 ZINC000020567004 171255122 /nfs/dbraw/zinc/25/51/22/171255122.db2.gz ZMYJMUPOACEZBA-UHFFFAOYSA-N 0 0 296.197 4.923 10 0 CJAERN CC(C)(C)c1nc2cc(NCc3cccs3)ccc2[nH]1 ZINC000020567113 171255081 /nfs/dbraw/zinc/25/50/81/171255081.db2.gz JYDKGLOTAFUSDC-UHFFFAOYSA-N 0 0 285.416 4.534 10 0 CJAERN Cc1c(Br)c(-c2ccccc2)nc2ccccc12 ZINC000020567206 171255111 /nfs/dbraw/zinc/25/51/11/171255111.db2.gz JZEXAGQVIFSBIX-UHFFFAOYSA-N 0 0 298.183 4.973 10 0 CJAERN CCCC(CCC)Nc1ccc(OCC)c(OCC)c1 ZINC000020567248 171255019 /nfs/dbraw/zinc/25/50/19/171255019.db2.gz QMPGAUGBCHFUTE-UHFFFAOYSA-N 0 0 279.424 4.865 10 0 CJAERN CC[C@@H](Nc1cc(F)ccc1C)c1ccc(F)cc1 ZINC000020567473 171255226 /nfs/dbraw/zinc/25/52/26/171255226.db2.gz PEFJKNSJNHETCX-OAHLLOKOSA-N 0 0 261.315 4.836 10 0 CJAERN CC[C@H](Nc1cc(F)ccc1C)c1ccc(F)cc1 ZINC000020567475 171255113 /nfs/dbraw/zinc/25/51/13/171255113.db2.gz PEFJKNSJNHETCX-HNNXBMFYSA-N 0 0 261.315 4.836 10 0 CJAERN Cc1cnn(C2CCCCCCCCCCC2)c1N ZINC000020579109 171256867 /nfs/dbraw/zinc/25/68/67/171256867.db2.gz QQCZIIRDICQADK-UHFFFAOYSA-N 0 0 263.429 4.620 10 0 CJAERN S=c1[nH]c2ccccc2n1C1CCCCCCC1 ZINC000020584381 171258346 /nfs/dbraw/zinc/25/83/46/171258346.db2.gz BJTBWFXZASGUDA-UHFFFAOYSA-N 0 0 260.406 4.984 10 0 CJAERN C[C@@H]1CCC[C@@H](n2c3ccccc3[nH]c2=S)[C@@H]1C ZINC000020584445 171258184 /nfs/dbraw/zinc/25/81/84/171258184.db2.gz BEJAECKEHHACPL-NQBHXWOUSA-N 0 0 260.406 4.696 10 0 CJAERN C[C@@H]1CCC[C@H](n2c3ccccc3[nH]c2=S)[C@@H]1C ZINC000020584449 171258304 /nfs/dbraw/zinc/25/83/04/171258304.db2.gz BEJAECKEHHACPL-WZRBSPASSA-N 0 0 260.406 4.696 10 0 CJAERN Nc1cccc(Cl)c1Nc1cc(Cl)ccc1Cl ZINC000020584640 171258118 /nfs/dbraw/zinc/25/81/18/171258118.db2.gz YRDTYTSHRYNXBI-UHFFFAOYSA-N 0 0 287.577 4.973 10 0 CJAERN Nc1ccc(Nc2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000020584645 171258096 /nfs/dbraw/zinc/25/80/96/171258096.db2.gz NVXAYGXNBSMIFR-UHFFFAOYSA-N 0 0 287.577 4.973 10 0 CJAERN Nc1cc(Cl)ccc1Nc1cc(Cl)ccc1Cl ZINC000020584648 171258182 /nfs/dbraw/zinc/25/81/82/171258182.db2.gz SUGIEXPGMYEKGU-UHFFFAOYSA-N 0 0 287.577 4.973 10 0 CJAERN Cc1ccc(Nc2c(N)cccc2Cl)cc1Cl ZINC000020584679 171258258 /nfs/dbraw/zinc/25/82/58/171258258.db2.gz VVTWTZPWVYKFJK-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN Cc1ccc(Nc2ccc(N)cc2Cl)cc1Cl ZINC000020584685 171258161 /nfs/dbraw/zinc/25/81/61/171258161.db2.gz LTKXKEFFBWWJRT-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN Cc1ccc(Nc2ccc(Cl)cc2N)cc1Cl ZINC000020584689 171258339 /nfs/dbraw/zinc/25/83/39/171258339.db2.gz WJDMYKPSPYOWNZ-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN COc1cc(Cl)c(C)cc1Nc1c(N)cccc1Cl ZINC000020584865 171258109 /nfs/dbraw/zinc/25/81/09/171258109.db2.gz QIERQHFMFJKIQG-UHFFFAOYSA-N 0 0 297.185 4.636 10 0 CJAERN Nc1cccc(Cl)c1Nc1ccccc1C(F)(F)F ZINC000020584881 171258052 /nfs/dbraw/zinc/25/80/52/171258052.db2.gz AAZUIOAITBNOFD-UHFFFAOYSA-N 0 0 286.684 4.685 10 0 CJAERN Nc1ccc(Nc2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000020584898 171258376 /nfs/dbraw/zinc/25/83/76/171258376.db2.gz SJKOUZFNRSWOKJ-UHFFFAOYSA-N 0 0 286.684 4.685 10 0 CJAERN Nc1cc(Cl)ccc1Nc1cccc(C(F)(F)F)c1 ZINC000020584900 171258209 /nfs/dbraw/zinc/25/82/09/171258209.db2.gz HNIDONGTTYTQSD-UHFFFAOYSA-N 0 0 286.684 4.685 10 0 CJAERN CC(C)(C)c1ccc(Nc2ccc(N)cc2Cl)cc1 ZINC000020584925 171258129 /nfs/dbraw/zinc/25/81/29/171258129.db2.gz PWGWXGXTUAVMEE-UHFFFAOYSA-N 0 0 274.795 4.963 10 0 CJAERN Cc1c(Cl)cccc1Nc1c(N)cccc1Cl ZINC000020584945 171258351 /nfs/dbraw/zinc/25/83/51/171258351.db2.gz YHCRBYBYUAUOGW-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN Cc1c(Cl)cccc1Nc1ccc(N)cc1Cl ZINC000020584950 171258205 /nfs/dbraw/zinc/25/82/05/171258205.db2.gz WRAVZPUFZPQUFX-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN Cc1c(Cl)cccc1Nc1ccc(Cl)cc1N ZINC000020584954 171258215 /nfs/dbraw/zinc/25/82/15/171258215.db2.gz YWEAQEMBZKAHER-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN Nc1cccc(Cl)c1Nc1ccc(Cl)cc1Cl ZINC000020584966 171258083 /nfs/dbraw/zinc/25/80/83/171258083.db2.gz KCHICWCLWLGTQQ-UHFFFAOYSA-N 0 0 287.577 4.973 10 0 CJAERN Nc1ccc(Nc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000020584972 171258367 /nfs/dbraw/zinc/25/83/67/171258367.db2.gz AYGOYSAJDABOEH-UHFFFAOYSA-N 0 0 287.577 4.973 10 0 CJAERN Nc1cc(Cl)ccc1Nc1ccc(Cl)cc1Cl ZINC000020584976 171258371 /nfs/dbraw/zinc/25/83/71/171258371.db2.gz FUSYPQDXRRZECE-UHFFFAOYSA-N 0 0 287.577 4.973 10 0 CJAERN Nc1ccccc1Nc1cc(Cl)c(Cl)cc1Cl ZINC000020585070 171258557 /nfs/dbraw/zinc/25/85/57/171258557.db2.gz TYBBJLBUKBLIOA-UHFFFAOYSA-N 0 0 287.577 4.973 10 0 CJAERN CC(C)c1ccccc1Nc1c(N)cccc1Cl ZINC000020585152 171258672 /nfs/dbraw/zinc/25/86/72/171258672.db2.gz JPXSXVGPPUTGOG-UHFFFAOYSA-N 0 0 260.768 4.789 10 0 CJAERN CC(C)c1ccccc1Nc1ccc(N)cc1Cl ZINC000020585155 171258804 /nfs/dbraw/zinc/25/88/04/171258804.db2.gz OUUWDKVRHLPVIP-UHFFFAOYSA-N 0 0 260.768 4.789 10 0 CJAERN CC(C)c1ccccc1Nc1ccc(Cl)cc1N ZINC000020585157 171258783 /nfs/dbraw/zinc/25/87/83/171258783.db2.gz IZAWZWZOFIIBOF-UHFFFAOYSA-N 0 0 260.768 4.789 10 0 CJAERN Nc1cccc(Cl)c1Nc1cc(Cl)cc(Cl)c1 ZINC000020585287 171258504 /nfs/dbraw/zinc/25/85/04/171258504.db2.gz XDPYYXLUQPHGMQ-UHFFFAOYSA-N 0 0 287.577 4.973 10 0 CJAERN Nc1ccc(Nc2cc(Cl)cc(Cl)c2)c(Cl)c1 ZINC000020585290 171258725 /nfs/dbraw/zinc/25/87/25/171258725.db2.gz AHHSMZMNCKTXOA-UHFFFAOYSA-N 0 0 287.577 4.973 10 0 CJAERN Nc1cc(Cl)ccc1Nc1cc(Cl)cc(Cl)c1 ZINC000020585292 171258812 /nfs/dbraw/zinc/25/88/12/171258812.db2.gz XETMFWJZVFGTJZ-UHFFFAOYSA-N 0 0 287.577 4.973 10 0 CJAERN CC(C)c1ccc(Nc2c(N)cccc2Cl)cc1 ZINC000020585306 171258639 /nfs/dbraw/zinc/25/86/39/171258639.db2.gz WQMJFWICFKRGMD-UHFFFAOYSA-N 0 0 260.768 4.789 10 0 CJAERN CC(C)c1ccc(Nc2ccc(N)cc2Cl)cc1 ZINC000020585309 171258745 /nfs/dbraw/zinc/25/87/45/171258745.db2.gz IJPOIDKWVDAIKI-UHFFFAOYSA-N 0 0 260.768 4.789 10 0 CJAERN CC(C)c1ccc(Nc2ccc(Cl)cc2N)cc1 ZINC000020585311 171258474 /nfs/dbraw/zinc/25/84/74/171258474.db2.gz RESONAAMBDEOKP-UHFFFAOYSA-N 0 0 260.768 4.789 10 0 CJAERN Nc1cccc(Cl)c1Nc1ccc(Cl)c(Cl)c1 ZINC000020585349 171258838 /nfs/dbraw/zinc/25/88/38/171258838.db2.gz KBCVWWIMRMNAGX-UHFFFAOYSA-N 0 0 287.577 4.973 10 0 CJAERN Nc1ccc(Nc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000020585352 171258653 /nfs/dbraw/zinc/25/86/53/171258653.db2.gz RTSFFZJMNGJIRB-UHFFFAOYSA-N 0 0 287.577 4.973 10 0 CJAERN Nc1cc(Cl)ccc1Nc1ccc(Cl)c(Cl)c1 ZINC000020585354 171258566 /nfs/dbraw/zinc/25/85/66/171258566.db2.gz GSWSOKMWUZRWBX-UHFFFAOYSA-N 0 0 287.577 4.973 10 0 CJAERN Nc1cc(C(F)(F)F)ccc1Nc1cccc(Cl)c1 ZINC000020585490 171258764 /nfs/dbraw/zinc/25/87/64/171258764.db2.gz QMPPMRDFUDQNAM-UHFFFAOYSA-N 0 0 286.684 4.685 10 0 CJAERN Nc1ccc(Nc2ccc(Cl)cc2)cc1C(F)(F)F ZINC000020585506 171258839 /nfs/dbraw/zinc/25/88/39/171258839.db2.gz MDHIWZZLAKWAOG-UHFFFAOYSA-N 0 0 286.684 4.685 10 0 CJAERN Nc1cc(C(F)(F)F)ccc1Nc1ccccc1Cl ZINC000020585574 171258939 /nfs/dbraw/zinc/25/89/39/171258939.db2.gz OVGYGSRHKQHPSR-UHFFFAOYSA-N 0 0 286.684 4.685 10 0 CJAERN Nc1ccc(Nc2ccccc2Cl)cc1C(F)(F)F ZINC000020585575 171259096 /nfs/dbraw/zinc/25/90/96/171259096.db2.gz VZMFYZOALDQJPD-UHFFFAOYSA-N 0 0 286.684 4.685 10 0 CJAERN Nc1cccc(Cl)c1Nc1cccc(Cl)c1Cl ZINC000020585779 171259117 /nfs/dbraw/zinc/25/91/17/171259117.db2.gz VDKJDYFGVRIVHS-UHFFFAOYSA-N 0 0 287.577 4.973 10 0 CJAERN Nc1ccc(Nc2cccc(Cl)c2Cl)c(Cl)c1 ZINC000020585782 171258983 /nfs/dbraw/zinc/25/89/83/171258983.db2.gz PDDWOTIXWXMVJP-UHFFFAOYSA-N 0 0 287.577 4.973 10 0 CJAERN Nc1cc(Cl)ccc1Nc1cccc(Cl)c1Cl ZINC000020585784 171259026 /nfs/dbraw/zinc/25/90/26/171259026.db2.gz NUWJBGPEVDMUOZ-UHFFFAOYSA-N 0 0 287.577 4.973 10 0 CJAERN Cc1ccc(Cl)cc1Nc1c(N)cccc1Cl ZINC000020585826 171259144 /nfs/dbraw/zinc/25/91/44/171259144.db2.gz FZDYPTQOYCTXNJ-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN Cc1ccc(Cl)cc1Nc1ccc(N)cc1Cl ZINC000020585829 171258936 /nfs/dbraw/zinc/25/89/36/171258936.db2.gz ZXCDPCIZGKPNQO-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN Cc1ccc(Cl)cc1Nc1ccc(Cl)cc1N ZINC000020585831 171258985 /nfs/dbraw/zinc/25/89/85/171258985.db2.gz JYLVUILIORGYRH-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN Cc1ccc(Nc2c(N)cccc2Cl)c(Cl)c1 ZINC000020585895 171259152 /nfs/dbraw/zinc/25/91/52/171259152.db2.gz LNOXCAXJQKUXTD-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN Cc1ccc(Nc2ccc(Cl)cc2N)c(Cl)c1 ZINC000020585902 171259104 /nfs/dbraw/zinc/25/91/04/171259104.db2.gz JHTLHVBQGVZJEB-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN CC(C)c1cccc(Nc2c(N)cccc2Cl)c1 ZINC000020585937 171259181 /nfs/dbraw/zinc/25/91/81/171259181.db2.gz JLMYWSMMWQJNAV-UHFFFAOYSA-N 0 0 260.768 4.789 10 0 CJAERN CC(C)c1cccc(Nc2ccc(N)cc2Cl)c1 ZINC000020585941 171259024 /nfs/dbraw/zinc/25/90/24/171259024.db2.gz OYCXHVFMCZMPGF-UHFFFAOYSA-N 0 0 260.768 4.789 10 0 CJAERN CC(C)c1cccc(Nc2ccc(Cl)cc2N)c1 ZINC000020585944 171258859 /nfs/dbraw/zinc/25/88/59/171258859.db2.gz NPOWBRMILKFONG-UHFFFAOYSA-N 0 0 260.768 4.789 10 0 CJAERN Cc1ccc(Cl)cc1-n1c2ccccc2[nH]c1=S ZINC000020585947 171259183 /nfs/dbraw/zinc/25/91/83/171259183.db2.gz ZFSKUBUTSQQXMH-UHFFFAOYSA-N 0 0 274.776 4.650 10 0 CJAERN S=c1[nH]c2ccccc2n1-c1ccc(Cl)c(Cl)c1 ZINC000020585956 171258863 /nfs/dbraw/zinc/25/88/63/171258863.db2.gz AKCYFFANURAUCK-UHFFFAOYSA-N 0 0 295.194 4.995 10 0 CJAERN S=c1[nH]c2ccccc2n1-c1cc(Cl)ccc1Cl ZINC000020585957 171259051 /nfs/dbraw/zinc/25/90/51/171259051.db2.gz XEKBJQMMVURTRD-UHFFFAOYSA-N 0 0 295.194 4.995 10 0 CJAERN S=c1[nH]nc(-c2cccs2)n1C1CCCCCCC1 ZINC000020591079 171261322 /nfs/dbraw/zinc/26/13/22/171261322.db2.gz VYSRZLHRUCYMLX-UHFFFAOYSA-N 0 0 293.461 4.955 10 0 CJAERN C[C@@H]1CCC[C@@H](n2c(=S)[nH]nc2-c2cccs2)[C@@H]1C ZINC000020591243 171261487 /nfs/dbraw/zinc/26/14/87/171261487.db2.gz DCMHFJUSNQNKSF-GMTAPVOTSA-N 0 0 293.461 4.666 10 0 CJAERN C[C@H]1[C@H](n2c(=S)[nH]nc2-c2cccs2)CCC[C@@H]1C ZINC000020591245 171261301 /nfs/dbraw/zinc/26/13/01/171261301.db2.gz DCMHFJUSNQNKSF-HBNTYKKESA-N 0 0 293.461 4.666 10 0 CJAERN C[C@@H]1CCC[C@H](n2c(=S)[nH]nc2-c2cccs2)[C@@H]1C ZINC000020591246 171261390 /nfs/dbraw/zinc/26/13/90/171261390.db2.gz DCMHFJUSNQNKSF-MXWKQRLJSA-N 0 0 293.461 4.666 10 0 CJAERN C[C@@H]1[C@@H](C)CCC[C@@H]1n1c(=S)[nH]nc1-c1cccs1 ZINC000020591248 171261185 /nfs/dbraw/zinc/26/11/85/171261185.db2.gz DCMHFJUSNQNKSF-AXFHLTTASA-N 0 0 293.461 4.666 10 0 CJAERN Cc1cc(C(=O)c2cc3cc(Cl)ccc3o2)c(C)o1 ZINC000020592608 171262265 /nfs/dbraw/zinc/26/22/65/171262265.db2.gz WIRSNLOIYBGUIK-UHFFFAOYSA-N 0 0 274.703 4.527 10 0 CJAERN Cc1ccccc1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000020592609 171262088 /nfs/dbraw/zinc/26/20/88/171262088.db2.gz VHFFTQOFOZKLFY-UHFFFAOYSA-N 0 0 270.715 4.626 10 0 CJAERN CC(C)C(=O)c1cc2cc(Cl)cc(Cl)c2o1 ZINC000020592638 171262307 /nfs/dbraw/zinc/26/23/07/171262307.db2.gz QMZMONLTCCDJHS-UHFFFAOYSA-N 0 0 257.116 4.578 10 0 CJAERN Cc1ccc(C(=O)c2cc3cc(Cl)cc(Cl)c3o2)o1 ZINC000020592644 171262254 /nfs/dbraw/zinc/26/22/54/171262254.db2.gz YGGZADQKZQLPSC-UHFFFAOYSA-N 0 0 295.121 4.872 10 0 CJAERN CC(C)(C)C(=O)c1cc2cc(Cl)cc(Cl)c2o1 ZINC000020592659 171262152 /nfs/dbraw/zinc/26/21/52/171262152.db2.gz OSIQLFVIKKVJQQ-UHFFFAOYSA-N 0 0 271.143 4.968 10 0 CJAERN N[C@H](c1cc2cc(Cl)ccc2o1)c1cccc(Cl)c1 ZINC000020592844 171262488 /nfs/dbraw/zinc/26/24/88/171262488.db2.gz OYELJEVTQPSDFP-HNNXBMFYSA-N 0 0 292.165 4.788 10 0 CJAERN N[C@@H](c1cc2cc(Cl)ccc2o1)c1cccc(Cl)c1 ZINC000020592845 171262629 /nfs/dbraw/zinc/26/26/29/171262629.db2.gz OYELJEVTQPSDFP-OAHLLOKOSA-N 0 0 292.165 4.788 10 0 CJAERN N[C@@H](c1cc2cc(Cl)cc(Cl)c2o1)c1cccs1 ZINC000020593086 171262426 /nfs/dbraw/zinc/26/24/26/171262426.db2.gz XWHXLWXNCUDOAJ-LBPRGKRZSA-N 0 0 298.194 4.849 10 0 CJAERN N[C@H](c1cc2cc(Cl)cc(Cl)c2o1)c1cccs1 ZINC000020593087 171262775 /nfs/dbraw/zinc/26/27/75/171262775.db2.gz XWHXLWXNCUDOAJ-GFCCVEGCSA-N 0 0 298.194 4.849 10 0 CJAERN Fc1ccc(-c2[nH]c(=S)[nH]c2-c2ccc(F)cc2)cc1 ZINC000020593992 171263341 /nfs/dbraw/zinc/26/33/41/171263341.db2.gz KWFORLMWRZCJOS-UHFFFAOYSA-N 0 0 288.322 4.684 10 0 CJAERN Cc1cc([C@@H](C)Nc2ccc(F)cc2Cl)c(C)o1 ZINC000020594691 171263735 /nfs/dbraw/zinc/26/37/35/171263735.db2.gz ZUTUBIUJLBEHFL-SECBINFHSA-N 0 0 267.731 4.862 10 0 CJAERN Cc1cc([C@H](C)Nc2ccc(F)cc2Cl)c(C)o1 ZINC000020594692 171263693 /nfs/dbraw/zinc/26/36/93/171263693.db2.gz ZUTUBIUJLBEHFL-VIFPVBQESA-N 0 0 267.731 4.862 10 0 CJAERN Cc1nc([C@@H](C)Nc2ccc(F)cc2Cl)c(C)s1 ZINC000020594695 171263561 /nfs/dbraw/zinc/26/35/61/171263561.db2.gz CPOPTJSRPAXBAI-SSDOTTSWSA-N 0 0 284.787 4.726 10 0 CJAERN Cc1nc([C@H](C)Nc2ccc(F)cc2Cl)c(C)s1 ZINC000020594696 171263836 /nfs/dbraw/zinc/26/38/36/171263836.db2.gz CPOPTJSRPAXBAI-ZETCQYMHSA-N 0 0 284.787 4.726 10 0 CJAERN C[C@@H](CNc1ccc(F)cc1Cl)c1ccccc1 ZINC000020594754 171263812 /nfs/dbraw/zinc/26/38/12/171263812.db2.gz ZDCOCJGPDQAIDU-NSHDSACASA-N 0 0 263.743 4.695 10 0 CJAERN C[C@H](CNc1ccc(F)cc1Cl)c1ccccc1 ZINC000020594755 171263685 /nfs/dbraw/zinc/26/36/85/171263685.db2.gz ZDCOCJGPDQAIDU-LLVKDONJSA-N 0 0 263.743 4.695 10 0 CJAERN Fc1ccc(N[C@@H]2CCCc3ccccc32)c(Cl)c1 ZINC000020594767 171263717 /nfs/dbraw/zinc/26/37/17/171263717.db2.gz RKOLIHGIHDGGNS-OAHLLOKOSA-N 0 0 275.754 4.969 10 0 CJAERN Fc1ccc(N[C@H]2CCCc3ccccc32)c(Cl)c1 ZINC000020594769 171263638 /nfs/dbraw/zinc/26/36/38/171263638.db2.gz RKOLIHGIHDGGNS-HNNXBMFYSA-N 0 0 275.754 4.969 10 0 CJAERN C[C@@H](Nc1ccc(F)cc1Cl)c1cccc(F)c1 ZINC000020594848 171263716 /nfs/dbraw/zinc/26/37/16/171263716.db2.gz AEHRZHPGWMXXNO-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1ccc(F)cc1Cl)c1cccc(F)c1 ZINC000020594850 171263662 /nfs/dbraw/zinc/26/36/62/171263662.db2.gz AEHRZHPGWMXXNO-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN C[C@@H](Nc1ccc(F)cc1Cl)c1ccc(F)c(F)c1 ZINC000020594933 171263831 /nfs/dbraw/zinc/26/38/31/171263831.db2.gz BBVNWXSJNZQQRV-MRVPVSSYSA-N 0 0 285.696 4.930 10 0 CJAERN C[C@H](Nc1ccc(F)cc1Cl)c1ccc(F)c(F)c1 ZINC000020594934 171263679 /nfs/dbraw/zinc/26/36/79/171263679.db2.gz BBVNWXSJNZQQRV-QMMMGPOBSA-N 0 0 285.696 4.930 10 0 CJAERN Cc1ccccc1[C@@H](C)Nc1ccc(F)cc1Cl ZINC000020594955 171263563 /nfs/dbraw/zinc/26/35/63/171263563.db2.gz OQALIXITUSQYSD-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccccc1[C@H](C)Nc1ccc(F)cc1Cl ZINC000020594957 171263602 /nfs/dbraw/zinc/26/36/02/171263602.db2.gz OQALIXITUSQYSD-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN COc1cccc([C@@H](C)Nc2ccc(F)cc2Cl)c1 ZINC000020595048 171263806 /nfs/dbraw/zinc/26/38/06/171263806.db2.gz YZGRGQRJWOBTJB-SNVBAGLBSA-N 0 0 279.742 4.661 10 0 CJAERN COc1cccc([C@H](C)Nc2ccc(F)cc2Cl)c1 ZINC000020595051 171263673 /nfs/dbraw/zinc/26/36/73/171263673.db2.gz YZGRGQRJWOBTJB-JTQLQIEISA-N 0 0 279.742 4.661 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc(F)cc2Cl)o1 ZINC000020595053 171263573 /nfs/dbraw/zinc/26/35/73/171263573.db2.gz DYAFSDZEWLYFJO-SECBINFHSA-N 0 0 253.704 4.554 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc(F)cc2Cl)o1 ZINC000020595055 171263815 /nfs/dbraw/zinc/26/38/15/171263815.db2.gz DYAFSDZEWLYFJO-VIFPVBQESA-N 0 0 253.704 4.554 10 0 CJAERN Fc1ccc(N[C@@H]2CCc3ccccc32)c(Cl)c1 ZINC000020595057 171263664 /nfs/dbraw/zinc/26/36/64/171263664.db2.gz PUNFPRSILDPVTK-CQSZACIVSA-N 0 0 261.727 4.579 10 0 CJAERN Fc1ccc(N[C@H]2CCc3ccccc32)c(Cl)c1 ZINC000020595059 171263746 /nfs/dbraw/zinc/26/37/46/171263746.db2.gz PUNFPRSILDPVTK-AWEZNQCLSA-N 0 0 261.727 4.579 10 0 CJAERN C[C@@H](Nc1ccc(F)cc1Cl)c1cccs1 ZINC000020595090 171264132 /nfs/dbraw/zinc/26/41/32/171264132.db2.gz XNEKOJIMNOFWRW-MRVPVSSYSA-N 0 0 255.745 4.714 10 0 CJAERN C[C@H](Nc1ccc(F)cc1Cl)c1cccs1 ZINC000020595092 171263930 /nfs/dbraw/zinc/26/39/30/171263930.db2.gz XNEKOJIMNOFWRW-QMMMGPOBSA-N 0 0 255.745 4.714 10 0 CJAERN C[C@@H](Nc1ccc(F)cc1Cl)c1c(F)cccc1F ZINC000020595102 171264085 /nfs/dbraw/zinc/26/40/85/171264085.db2.gz WJJWFBDGEDGCFT-MRVPVSSYSA-N 0 0 285.696 4.930 10 0 CJAERN C[C@H](Nc1ccc(F)cc1Cl)c1c(F)cccc1F ZINC000020595103 171264067 /nfs/dbraw/zinc/26/40/67/171264067.db2.gz WJJWFBDGEDGCFT-QMMMGPOBSA-N 0 0 285.696 4.930 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc(F)cc2Cl)cc1 ZINC000020595132 171264061 /nfs/dbraw/zinc/26/40/61/171264061.db2.gz MXOBTZAIZMDRAT-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc(F)cc2Cl)cc1 ZINC000020595134 171264115 /nfs/dbraw/zinc/26/41/15/171264115.db2.gz MXOBTZAIZMDRAT-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN C[C@@H](CCc1ccccc1)Nc1ccc(F)cc1Cl ZINC000020595145 171263918 /nfs/dbraw/zinc/26/39/18/171263918.db2.gz WGYFHJBRMBNEKQ-LBPRGKRZSA-N 0 0 277.770 4.912 10 0 CJAERN C[C@H](CCc1ccccc1)Nc1ccc(F)cc1Cl ZINC000020595147 171264100 /nfs/dbraw/zinc/26/41/00/171264100.db2.gz WGYFHJBRMBNEKQ-GFCCVEGCSA-N 0 0 277.770 4.912 10 0 CJAERN C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(F)cc2Cl)o1 ZINC000020595165 171264056 /nfs/dbraw/zinc/26/40/56/171264056.db2.gz YAFHBQJBIYZIQR-SKDRFNHKSA-N 0 0 279.742 4.808 10 0 CJAERN C[C@H]1C[C@@H]1c1ccc(CNc2ccc(F)cc2Cl)o1 ZINC000020595166 171264151 /nfs/dbraw/zinc/26/41/51/171264151.db2.gz YAFHBQJBIYZIQR-CABZTGNLSA-N 0 0 279.742 4.808 10 0 CJAERN C[C@@H]1C[C@H]1c1ccc(CNc2ccc(F)cc2Cl)o1 ZINC000020595168 171264066 /nfs/dbraw/zinc/26/40/66/171264066.db2.gz YAFHBQJBIYZIQR-BXKDBHETSA-N 0 0 279.742 4.808 10 0 CJAERN C[C@H]1C[C@H]1c1ccc(CNc2ccc(F)cc2Cl)o1 ZINC000020595170 171263994 /nfs/dbraw/zinc/26/39/94/171263994.db2.gz YAFHBQJBIYZIQR-JOYOIKCWSA-N 0 0 279.742 4.808 10 0 CJAERN C[C@@H]1CCC[C@@H](C)C1Nc1ccc(F)cc1Cl ZINC000020595202 171263912 /nfs/dbraw/zinc/26/39/12/171263912.db2.gz MQQSINDKYVQFGK-NXEZZACHSA-N 0 0 255.764 4.716 10 0 CJAERN C[C@H]1CCC[C@H](C)C1Nc1ccc(F)cc1Cl ZINC000020595207 171264089 /nfs/dbraw/zinc/26/40/89/171264089.db2.gz MQQSINDKYVQFGK-UWVGGRQHSA-N 0 0 255.764 4.716 10 0 CJAERN CCC1CCC(Nc2ccc(F)cc2Cl)CC1 ZINC000020595243 171264137 /nfs/dbraw/zinc/26/41/37/171264137.db2.gz KPZYOECXLDMEHY-UHFFFAOYSA-N 0 0 255.764 4.860 10 0 CJAERN CCc1ccc(CNc2ccc(F)cc2Cl)cc1 ZINC000020595253 171263936 /nfs/dbraw/zinc/26/39/36/171263936.db2.gz FDPOYVADEHRWLU-UHFFFAOYSA-N 0 0 263.743 4.654 10 0 CJAERN Cc1ccc(CNc2ccc(F)cc2Cl)c(C)c1 ZINC000020595273 171263916 /nfs/dbraw/zinc/26/39/16/171263916.db2.gz KWTCPMBCYUVGMA-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN CCc1ccc(CNc2ccc(F)cc2Cl)s1 ZINC000020595340 171264001 /nfs/dbraw/zinc/26/40/01/171264001.db2.gz QLFRFKURDVCEJV-UHFFFAOYSA-N 0 0 269.772 4.715 10 0 CJAERN Nc1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000020595668 171264475 /nfs/dbraw/zinc/26/44/75/171264475.db2.gz USYZMNUBFWNQRQ-UHFFFAOYSA-N 0 0 287.668 4.733 10 0 CJAERN CC[C@@H]1CCCCN1C(=O)c1ccccc1SC(C)C ZINC000020612826 171267375 /nfs/dbraw/zinc/26/73/75/171267375.db2.gz ZJFXMEJDUMUVJJ-CQSZACIVSA-N 0 0 291.460 4.592 10 0 CJAERN CC[C@H]1CCCCN1C(=O)c1ccccc1SC(C)C ZINC000020612827 171267624 /nfs/dbraw/zinc/26/76/24/171267624.db2.gz ZJFXMEJDUMUVJJ-AWEZNQCLSA-N 0 0 291.460 4.592 10 0 CJAERN CCN(C(=O)c1ccccc1SC(C)C)c1ccccc1 ZINC000020612840 171267335 /nfs/dbraw/zinc/26/73/35/171267335.db2.gz ZCQHTMLINGKQKC-UHFFFAOYSA-N 0 0 299.439 4.854 10 0 CJAERN Cc1csc2ncnc(-c3ccc(C)c4ncccc34)c12 ZINC000020993747 171283560 /nfs/dbraw/zinc/28/35/60/171283560.db2.gz HJGRYHLCCBRIAZ-UHFFFAOYSA-N 0 0 291.379 4.523 10 0 CJAERN CCCC(=O)Nc1ccc2nc(-c3ccc(C)cc3)oc2c1 ZINC000021002818 171284438 /nfs/dbraw/zinc/28/44/38/171284438.db2.gz PONILRRMSNZXRS-UHFFFAOYSA-N 0 0 294.354 4.542 10 0 CJAERN Cc1ccc(Oc2cccc(NC(=O)C(C)C)c2)cc1C ZINC000021003014 171284708 /nfs/dbraw/zinc/28/47/08/171284708.db2.gz PATKRLDVSJQQCQ-UHFFFAOYSA-N 0 0 283.371 4.690 10 0 CJAERN Cc1ccc(NC(=O)c2ccccc2C)c(NCC(C)C)c1 ZINC000021004784 171285093 /nfs/dbraw/zinc/28/50/93/171285093.db2.gz KEVKXYMLEZAAHY-UHFFFAOYSA-N 0 0 296.414 4.624 10 0 CJAERN COc1ccc(Cl)cc1-c1nc2cc(Cl)ccc2[nH]1 ZINC000021005461 171284918 /nfs/dbraw/zinc/28/49/18/171284918.db2.gz YZODSEAIMRMKPD-UHFFFAOYSA-N 0 0 293.153 4.545 10 0 CJAERN CC(=O)c1ccc(Oc2ccccc2C(C)(C)C)cc1 ZINC000021007625 171284802 /nfs/dbraw/zinc/28/48/02/171284802.db2.gz FYRCVDYYRKOUDM-UHFFFAOYSA-N 0 0 268.356 4.979 10 0 CJAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(F)cc1F ZINC000021007641 171285104 /nfs/dbraw/zinc/28/51/04/171285104.db2.gz NVAAETMDKHFQCZ-FFSVYQOJSA-N 0 0 267.363 4.838 10 0 CJAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1ccc(F)cc1F ZINC000021007642 171284972 /nfs/dbraw/zinc/28/49/72/171284972.db2.gz NVAAETMDKHFQCZ-RBOXIYTFSA-N 0 0 267.363 4.838 10 0 CJAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(F)cc1F ZINC000021007644 171284862 /nfs/dbraw/zinc/28/48/62/171284862.db2.gz NVAAETMDKHFQCZ-KFNAQCHYSA-N 0 0 267.363 4.838 10 0 CJAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1ccc(F)cc1F ZINC000021007646 171285248 /nfs/dbraw/zinc/28/52/48/171285248.db2.gz NVAAETMDKHFQCZ-GHJWDPDVSA-N 0 0 267.363 4.838 10 0 CJAERN CC(=O)c1cc(F)ccc1Oc1ccccc1C(C)C ZINC000021007665 171285323 /nfs/dbraw/zinc/28/53/23/171285323.db2.gz MGNPTUPCWVVUKW-UHFFFAOYSA-N 0 0 272.319 4.944 10 0 CJAERN Cc1c(Cl)cccc1NCc1ccc(Cl)cc1 ZINC000021007671 171285269 /nfs/dbraw/zinc/28/52/69/171285269.db2.gz LJRRDVNHWBFGQE-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN FC(F)Oc1ccc(NCCc2ccccc2)cc1Cl ZINC000021007849 171285215 /nfs/dbraw/zinc/28/52/15/171285215.db2.gz ROEOYESRMKKLIB-UHFFFAOYSA-N 0 0 297.732 4.596 10 0 CJAERN CC[C@@H](C)CNc1ccc(Oc2ccccc2)cc1 ZINC000021007853 171285244 /nfs/dbraw/zinc/28/52/44/171285244.db2.gz KWLACJIUWDUYAU-CQSZACIVSA-N 0 0 255.361 4.937 10 0 CJAERN CC[C@H](C)CNc1ccc(Oc2ccccc2)cc1 ZINC000021007855 171285240 /nfs/dbraw/zinc/28/52/40/171285240.db2.gz KWLACJIUWDUYAU-AWEZNQCLSA-N 0 0 255.361 4.937 10 0 CJAERN C[C@@H](Nc1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000021007868 171285271 /nfs/dbraw/zinc/28/52/71/171285271.db2.gz CHJQFCPJJAECSO-SSDOTTSWSA-N 0 0 263.690 4.569 10 0 CJAERN C[C@H](Nc1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000021007870 171285297 /nfs/dbraw/zinc/28/52/97/171285297.db2.gz CHJQFCPJJAECSO-ZETCQYMHSA-N 0 0 263.690 4.569 10 0 CJAERN Cc1cc([C@@H](C)Nc2cc(F)cc(F)c2)c(C)s1 ZINC000021008828 171285585 /nfs/dbraw/zinc/28/55/85/171285585.db2.gz MCBVNXICKSAKRC-SECBINFHSA-N 0 0 267.344 4.816 10 0 CJAERN Cc1cc([C@H](C)Nc2cc(F)cc(F)c2)c(C)s1 ZINC000021008829 171285519 /nfs/dbraw/zinc/28/55/19/171285519.db2.gz MCBVNXICKSAKRC-VIFPVBQESA-N 0 0 267.344 4.816 10 0 CJAERN Cc1cc(Cl)ccc1Oc1cccc(Cl)c1C=O ZINC000021008937 171285615 /nfs/dbraw/zinc/28/56/15/171285615.db2.gz FOJVETRGWFGCIT-UHFFFAOYSA-N 0 0 281.138 4.907 10 0 CJAERN CCOc1ccccc1CNc1cccc2c1CCCC2 ZINC000021008938 171285451 /nfs/dbraw/zinc/28/54/51/171285451.db2.gz DLENLXFYQPUCRK-UHFFFAOYSA-N 0 0 281.399 4.576 10 0 CJAERN Fc1cccc(Cl)c1CNc1cccc2ncccc21 ZINC000021008989 171285864 /nfs/dbraw/zinc/28/58/64/171285864.db2.gz PTFVVWCWPWRHLR-UHFFFAOYSA-N 0 0 286.737 4.639 10 0 CJAERN C[C@@H]1C[C@@H](Nc2ccccc2Cl)CC(C)(C)C1 ZINC000021009135 171285852 /nfs/dbraw/zinc/28/58/52/171285852.db2.gz NZAICNJSMRAVJL-VXGBXAGGSA-N 0 0 251.801 4.967 10 0 CJAERN C[C@H]1C[C@@H](Nc2ccccc2Cl)CC(C)(C)C1 ZINC000021009136 171285956 /nfs/dbraw/zinc/28/59/56/171285956.db2.gz NZAICNJSMRAVJL-NWDGAFQWSA-N 0 0 251.801 4.967 10 0 CJAERN C[C@@H]1C[C@H](Nc2ccccc2Cl)CC(C)(C)C1 ZINC000021009137 171286123 /nfs/dbraw/zinc/28/61/23/171286123.db2.gz NZAICNJSMRAVJL-NEPJUHHUSA-N 0 0 251.801 4.967 10 0 CJAERN C[C@H]1C[C@H](Nc2ccccc2Cl)CC(C)(C)C1 ZINC000021009138 171286035 /nfs/dbraw/zinc/28/60/35/171286035.db2.gz NZAICNJSMRAVJL-RYUDHWBXSA-N 0 0 251.801 4.967 10 0 CJAERN Cc1ccc(CNc2cccc(Cl)c2Cl)cc1 ZINC000021009189 171286098 /nfs/dbraw/zinc/28/60/98/171286098.db2.gz GKRGDGOVRUMFGL-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN Cc1cc(Cl)ccc1NCc1ccccc1Cl ZINC000021009199 171285787 /nfs/dbraw/zinc/28/57/87/171285787.db2.gz YDYSUASXLHIDCL-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN CCCCC[C@@H](C)Nc1ccccc1OC(F)F ZINC000021009298 171286036 /nfs/dbraw/zinc/28/60/36/171286036.db2.gz HTPFSOMLSZQPBS-LLVKDONJSA-N 0 0 257.324 4.669 10 0 CJAERN CCCCC[C@H](C)Nc1ccccc1OC(F)F ZINC000021009299 171286049 /nfs/dbraw/zinc/28/60/49/171286049.db2.gz HTPFSOMLSZQPBS-NSHDSACASA-N 0 0 257.324 4.669 10 0 CJAERN C[C@@H]1CCCC[C@@H]1Nc1ccc(OC(F)(F)F)cc1 ZINC000021009388 171286122 /nfs/dbraw/zinc/28/61/22/171286122.db2.gz QFRHQWIIUHWDPK-MFKMUULPSA-N 0 0 273.298 4.576 10 0 CJAERN C[C@H]1CCCC[C@@H]1Nc1ccc(OC(F)(F)F)cc1 ZINC000021009389 171286116 /nfs/dbraw/zinc/28/61/16/171286116.db2.gz QFRHQWIIUHWDPK-GWCFXTLKSA-N 0 0 273.298 4.576 10 0 CJAERN C[C@@H]1CCCC[C@H]1Nc1ccc(OC(F)(F)F)cc1 ZINC000021009390 171285975 /nfs/dbraw/zinc/28/59/75/171285975.db2.gz QFRHQWIIUHWDPK-ZWNOBZJWSA-N 0 0 273.298 4.576 10 0 CJAERN C[C@H]1CCCC[C@H]1Nc1ccc(OC(F)(F)F)cc1 ZINC000021009391 171285851 /nfs/dbraw/zinc/28/58/51/171285851.db2.gz QFRHQWIIUHWDPK-GXFFZTMASA-N 0 0 273.298 4.576 10 0 CJAERN FC(F)(F)Oc1ccccc1N[C@@H]1CCc2ccccc21 ZINC000021009405 171286015 /nfs/dbraw/zinc/28/60/15/171286015.db2.gz AAJOWBJRHXDQHY-CYBMUJFWSA-N 0 0 293.288 4.685 10 0 CJAERN FC(F)(F)Oc1ccccc1N[C@H]1CCc2ccccc21 ZINC000021009406 171285996 /nfs/dbraw/zinc/28/59/96/171285996.db2.gz AAJOWBJRHXDQHY-ZDUSSCGKSA-N 0 0 293.288 4.685 10 0 CJAERN CCC1CCC(Nc2cccc(Br)c2)CC1 ZINC000021009420 171285769 /nfs/dbraw/zinc/28/57/69/171285769.db2.gz VNQUJKPFDCQSIA-UHFFFAOYSA-N 0 0 282.225 4.830 10 0 CJAERN COc1cccc(N[C@@H](C)c2ccc(C(C)C)cc2)c1 ZINC000021009462 171286255 /nfs/dbraw/zinc/28/62/55/171286255.db2.gz WCUMHSATHQOXDS-AWEZNQCLSA-N 0 0 269.388 4.992 10 0 CJAERN COc1cccc(N[C@H](C)c2ccc(C(C)C)cc2)c1 ZINC000021009464 171286412 /nfs/dbraw/zinc/28/64/12/171286412.db2.gz WCUMHSATHQOXDS-CQSZACIVSA-N 0 0 269.388 4.992 10 0 CJAERN Cc1ccc(NCc2cccc3ccccc32)cc1F ZINC000021009519 171286474 /nfs/dbraw/zinc/28/64/74/171286474.db2.gz FEKMIEGVGPOIEG-UHFFFAOYSA-N 0 0 265.331 4.899 10 0 CJAERN C[C@@H](Nc1cccc(O)c1)c1ccc(Cl)cc1Cl ZINC000021009714 171286291 /nfs/dbraw/zinc/28/62/91/171286291.db2.gz SLUHKXATUZBEFD-SECBINFHSA-N 0 0 282.170 4.872 10 0 CJAERN C[C@H](Nc1cccc(O)c1)c1ccc(Cl)cc1Cl ZINC000021009716 171286409 /nfs/dbraw/zinc/28/64/09/171286409.db2.gz SLUHKXATUZBEFD-VIFPVBQESA-N 0 0 282.170 4.872 10 0 CJAERN Clc1cccc(N[C@@H]2CCSc3ccccc32)c1 ZINC000021009807 171286414 /nfs/dbraw/zinc/28/64/14/171286414.db2.gz MKBGAOGCBAGIEM-CQSZACIVSA-N 0 0 275.804 4.989 10 0 CJAERN Clc1cccc(N[C@H]2CCSc3ccccc32)c1 ZINC000021009809 171286441 /nfs/dbraw/zinc/28/64/41/171286441.db2.gz MKBGAOGCBAGIEM-AWEZNQCLSA-N 0 0 275.804 4.989 10 0 CJAERN CC(=O)c1ccccc1Oc1cc(Cl)ccc1Cl ZINC000021009875 171286261 /nfs/dbraw/zinc/28/62/61/171286261.db2.gz OHXHCQWAHUHQBF-UHFFFAOYSA-N 0 0 281.138 4.988 10 0 CJAERN Cc1ccc(NCC2CCCCC2)c(Br)c1 ZINC000021009919 171286455 /nfs/dbraw/zinc/28/64/55/171286455.db2.gz GJTWBRNUQAVGAU-UHFFFAOYSA-N 0 0 282.225 4.750 10 0 CJAERN Cc1ccc(Cl)cc1N[C@H](C)c1ccc(F)cc1 ZINC000021009965 171286489 /nfs/dbraw/zinc/28/64/89/171286489.db2.gz DETGWJSXJIDZDH-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(Cl)cc1N[C@@H](C)c1ccc(F)cc1 ZINC000021009967 171286394 /nfs/dbraw/zinc/28/63/94/171286394.db2.gz DETGWJSXJIDZDH-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN Fc1cccc(F)c1CNc1ccc(C(F)(F)F)cc1 ZINC000021010034 171286332 /nfs/dbraw/zinc/28/63/32/171286332.db2.gz RNPVLZGOJASIJN-UHFFFAOYSA-N 0 0 287.231 4.596 10 0 CJAERN Cc1cccc(CNc2cc(Cl)cc(Cl)c2)c1 ZINC000021010050 171286317 /nfs/dbraw/zinc/28/63/17/171286317.db2.gz RXNWQFZXHYJDPA-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN COc1ccc(N[C@@H]2CCCC[C@@H]2C(C)(C)C)cc1OC ZINC000021010054 171286505 /nfs/dbraw/zinc/28/65/05/171286505.db2.gz HGAPJNGLQDLKTO-LSDHHAIUSA-N 0 0 291.435 4.721 10 0 CJAERN COc1ccc(N[C@H]2CCCC[C@@H]2C(C)(C)C)cc1OC ZINC000021010056 171286278 /nfs/dbraw/zinc/28/62/78/171286278.db2.gz HGAPJNGLQDLKTO-GJZGRUSLSA-N 0 0 291.435 4.721 10 0 CJAERN COc1ccc(N[C@@H]2CCCC[C@H]2C(C)(C)C)cc1OC ZINC000021010058 171286379 /nfs/dbraw/zinc/28/63/79/171286379.db2.gz HGAPJNGLQDLKTO-HUUCEWRRSA-N 0 0 291.435 4.721 10 0 CJAERN COc1ccc(N[C@H]2CCCC[C@H]2C(C)(C)C)cc1OC ZINC000021010059 171286352 /nfs/dbraw/zinc/28/63/52/171286352.db2.gz HGAPJNGLQDLKTO-CABCVRRESA-N 0 0 291.435 4.721 10 0 CJAERN COc1ccccc1NC1CCC(c2ccccc2)CC1 ZINC000021010199 171286859 /nfs/dbraw/zinc/28/68/59/171286859.db2.gz NLQBMDAIVDJPJF-UHFFFAOYSA-N 0 0 281.399 4.834 10 0 CJAERN O=Cc1ccc(Oc2cccc(Cl)c2Cl)c(F)c1 ZINC000021010232 171286842 /nfs/dbraw/zinc/28/68/42/171286842.db2.gz DYPFECGKRRWTNS-UHFFFAOYSA-N 0 0 285.101 4.737 10 0 CJAERN C[C@@H](Nc1cc(F)ccc1F)C12CC3CC(CC(C3)C1)C2 ZINC000021010250 171286902 /nfs/dbraw/zinc/28/69/02/171286902.db2.gz XGTYRVUJBAAMSP-HDPALTEOSA-N 0 0 291.385 4.982 10 0 CJAERN C[C@H](Nc1cc(F)ccc1F)C12CC3CC(CC(C3)C1)C2 ZINC000021010252 171286683 /nfs/dbraw/zinc/28/66/83/171286683.db2.gz XGTYRVUJBAAMSP-IWERZKIRSA-N 0 0 291.385 4.982 10 0 CJAERN CCc1cccc(NCc2ccc(F)cc2Cl)c1 ZINC000021010419 171286605 /nfs/dbraw/zinc/28/66/05/171286605.db2.gz IAMHTHNWCYISHY-UHFFFAOYSA-N 0 0 263.743 4.654 10 0 CJAERN COc1cccc(NC2CCC(c3ccccc3)CC2)c1 ZINC000021010593 171286593 /nfs/dbraw/zinc/28/65/93/171286593.db2.gz YMCMFTDHXRLMSG-UHFFFAOYSA-N 0 0 281.399 4.834 10 0 CJAERN COc1ccc2c(c1)CCC[C@@H]2Nc1ccc(Cl)cc1 ZINC000021010757 171286618 /nfs/dbraw/zinc/28/66/18/171286618.db2.gz XKPYFYATXAMWAG-KRWDZBQOSA-N 0 0 287.790 4.838 10 0 CJAERN COc1ccc2c(c1)CCC[C@H]2Nc1ccc(Cl)cc1 ZINC000021010759 171286702 /nfs/dbraw/zinc/28/67/02/171286702.db2.gz XKPYFYATXAMWAG-QGZVFWFLSA-N 0 0 287.790 4.838 10 0 CJAERN CCOc1ccc(OCC)c(NC2CCC(CC)CC2)c1 ZINC000021010822 171286690 /nfs/dbraw/zinc/28/66/90/171286690.db2.gz FSSKAQWMODWGTG-UHFFFAOYSA-N 0 0 291.435 4.865 10 0 CJAERN CCc1nc2scc(-c3ccccc3)c2c(Cl)n1 ZINC000021010855 171286938 /nfs/dbraw/zinc/28/69/38/171286938.db2.gz CTCFWTBVTQNZAW-UHFFFAOYSA-N 0 0 274.776 4.574 10 0 CJAERN C[C@@H](Nc1ccc(Cl)cc1Cl)c1ccc(O)cc1 ZINC000021011040 171287172 /nfs/dbraw/zinc/28/71/72/171287172.db2.gz INKSUOFNYFHJDP-SECBINFHSA-N 0 0 282.170 4.872 10 0 CJAERN C[C@H](Nc1ccc(Cl)cc1Cl)c1ccc(O)cc1 ZINC000021011042 171287205 /nfs/dbraw/zinc/28/72/05/171287205.db2.gz INKSUOFNYFHJDP-VIFPVBQESA-N 0 0 282.170 4.872 10 0 CJAERN CC(=O)Nc1cccc(N[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 ZINC000021011058 171287141 /nfs/dbraw/zinc/28/71/41/171287141.db2.gz FLISMZIGAWXRQZ-XWIAVFTESA-N 0 0 288.435 4.518 10 0 CJAERN CC(=O)Nc1cccc(N[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 ZINC000021011060 171287138 /nfs/dbraw/zinc/28/71/38/171287138.db2.gz FLISMZIGAWXRQZ-VHSSKADRSA-N 0 0 288.435 4.518 10 0 CJAERN C[C@@H](Nc1cccnc1)c1ccc(-c2ccccc2)cc1 ZINC000021011077 171287061 /nfs/dbraw/zinc/28/70/61/171287061.db2.gz WUIFROLNRUGLCX-OAHLLOKOSA-N 0 0 274.367 4.922 10 0 CJAERN C[C@H](Nc1cccnc1)c1ccc(-c2ccccc2)cc1 ZINC000021011079 171287062 /nfs/dbraw/zinc/28/70/62/171287062.db2.gz WUIFROLNRUGLCX-HNNXBMFYSA-N 0 0 274.367 4.922 10 0 CJAERN CC(=O)c1ccc(Sc2cc(C)ccc2C)cc1 ZINC000021011142 171287096 /nfs/dbraw/zinc/28/70/96/171287096.db2.gz QZNACQQSEVEZCW-UHFFFAOYSA-N 0 0 256.370 4.657 10 0 CJAERN C[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000021011144 171287188 /nfs/dbraw/zinc/28/71/88/171287188.db2.gz QAMSLDUWXOARLE-SNVBAGLBSA-N 0 0 299.267 4.897 10 0 CJAERN C[C@H](Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000021011146 171287288 /nfs/dbraw/zinc/28/72/88/171287288.db2.gz QAMSLDUWXOARLE-JTQLQIEISA-N 0 0 299.267 4.897 10 0 CJAERN CCc1ccc(CNc2ccccc2Br)cc1 ZINC000021011337 171287217 /nfs/dbraw/zinc/28/72/17/171287217.db2.gz MFDNFQVCQWSWBC-UHFFFAOYSA-N 0 0 290.204 4.624 10 0 CJAERN Cc1cccc(N[C@H](C)c2ccc3c(c2)CCC3)c1 ZINC000021011420 171287330 /nfs/dbraw/zinc/28/73/30/171287330.db2.gz BUVBIYDVMKIBLT-CQSZACIVSA-N 0 0 251.373 4.657 10 0 CJAERN Cc1cccc(N[C@@H](C)c2ccc3c(c2)CCC3)c1 ZINC000021011422 171287329 /nfs/dbraw/zinc/28/73/29/171287329.db2.gz BUVBIYDVMKIBLT-AWEZNQCLSA-N 0 0 251.373 4.657 10 0 CJAERN Fc1ccc(NCc2cccc(Cl)c2Cl)c(F)c1 ZINC000021011433 171287359 /nfs/dbraw/zinc/28/73/59/171287359.db2.gz CRLZFMIZPGTCPZ-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN COc1ccc(C)cc1[C@@H](C)Nc1ccc(C)c(C)c1 ZINC000021011476 171287255 /nfs/dbraw/zinc/28/72/55/171287255.db2.gz VIQAAJZBYVQITK-OAHLLOKOSA-N 0 0 269.388 4.794 10 0 CJAERN COc1ccc(C)cc1[C@H](C)Nc1ccc(C)c(C)c1 ZINC000021011478 171287021 /nfs/dbraw/zinc/28/70/21/171287021.db2.gz VIQAAJZBYVQITK-HNNXBMFYSA-N 0 0 269.388 4.794 10 0 CJAERN CCN(c1ccccc1C)c1ccc(C(F)(F)F)cc1N ZINC000021011655 171287018 /nfs/dbraw/zinc/28/70/18/171287018.db2.gz WTBZLCGTTXODKB-UHFFFAOYSA-N 0 0 294.320 4.754 10 0 CJAERN Cc1ccsc1CNc1ccc(Cl)c(Cl)c1 ZINC000021011736 171287020 /nfs/dbraw/zinc/28/70/20/171287020.db2.gz WUQKXFABEUBFPZ-UHFFFAOYSA-N 0 0 272.200 4.975 10 0 CJAERN COc1ccc2c(c1)CCC[C@@H]2Nc1ccc(C)cc1C ZINC000021011887 171287684 /nfs/dbraw/zinc/28/76/84/171287684.db2.gz KMVFUXVSNIGEJG-IBGZPJMESA-N 0 0 281.399 4.802 10 0 CJAERN COc1ccc2c(c1)CCC[C@H]2Nc1ccc(C)cc1C ZINC000021011888 171287444 /nfs/dbraw/zinc/28/74/44/171287444.db2.gz KMVFUXVSNIGEJG-LJQANCHMSA-N 0 0 281.399 4.802 10 0 CJAERN CC[C@@H](Nc1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC000021012078 171287741 /nfs/dbraw/zinc/28/77/41/171287741.db2.gz FGVHLKZRTNDUOW-OAHLLOKOSA-N 0 0 265.278 4.667 10 0 CJAERN CC[C@H](Nc1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC000021012079 171287595 /nfs/dbraw/zinc/28/75/95/171287595.db2.gz FGVHLKZRTNDUOW-HNNXBMFYSA-N 0 0 265.278 4.667 10 0 CJAERN Cc1c(Cl)cccc1NC[C@H](C)c1ccccc1 ZINC000021012086 171287744 /nfs/dbraw/zinc/28/77/44/171287744.db2.gz OLGARHJJMGRZCT-LBPRGKRZSA-N 0 0 259.780 4.864 10 0 CJAERN Cc1c(Cl)cccc1NC[C@@H](C)c1ccccc1 ZINC000021012087 171287760 /nfs/dbraw/zinc/28/77/60/171287760.db2.gz OLGARHJJMGRZCT-GFCCVEGCSA-N 0 0 259.780 4.864 10 0 CJAERN Cc1ccc(N[C@@H]2CCCc3ccccc32)c(C)c1 ZINC000021012098 171287510 /nfs/dbraw/zinc/28/75/10/171287510.db2.gz ZWCDKEIMIQBYPI-GOSISDBHSA-N 0 0 251.373 4.793 10 0 CJAERN Cc1ccc(N[C@H]2CCCc3ccccc32)c(C)c1 ZINC000021012099 171287451 /nfs/dbraw/zinc/28/74/51/171287451.db2.gz ZWCDKEIMIQBYPI-SFHVURJKSA-N 0 0 251.373 4.793 10 0 CJAERN CCc1ccc([C@@H](C)Nc2ccc(C)c(F)c2)cc1 ZINC000021012120 171287567 /nfs/dbraw/zinc/28/75/67/171287567.db2.gz YGUGQOQPZJSRLE-CYBMUJFWSA-N 0 0 257.352 4.870 10 0 CJAERN CCc1ccc([C@H](C)Nc2ccc(C)c(F)c2)cc1 ZINC000021012121 171287517 /nfs/dbraw/zinc/28/75/17/171287517.db2.gz YGUGQOQPZJSRLE-ZDUSSCGKSA-N 0 0 257.352 4.870 10 0 CJAERN CCCc1ccc(N[C@@H](C)c2cccc(F)c2)cc1 ZINC000021012183 171287438 /nfs/dbraw/zinc/28/74/38/171287438.db2.gz PIVLOWTXNJKAHK-ZDUSSCGKSA-N 0 0 257.352 4.951 10 0 CJAERN CCCc1ccc(N[C@H](C)c2cccc(F)c2)cc1 ZINC000021012184 171287436 /nfs/dbraw/zinc/28/74/36/171287436.db2.gz PIVLOWTXNJKAHK-CYBMUJFWSA-N 0 0 257.352 4.951 10 0 CJAERN Cc1cc(F)ccc1NCc1ccc(C(C)C)cc1 ZINC000021012227 171287590 /nfs/dbraw/zinc/28/75/90/171287590.db2.gz KABJFNVGGXMBJU-UHFFFAOYSA-N 0 0 257.352 4.870 10 0 CJAERN CC[C@@H](Nc1ccc(OC)cc1)c1cccc(Cl)c1 ZINC000021012239 171287639 /nfs/dbraw/zinc/28/76/39/171287639.db2.gz WNXHEYMLHKRFKI-MRXNPFEDSA-N 0 0 275.779 4.912 10 0 CJAERN CC[C@H](Nc1ccc(OC)cc1)c1cccc(Cl)c1 ZINC000021012240 171287656 /nfs/dbraw/zinc/28/76/56/171287656.db2.gz WNXHEYMLHKRFKI-INIZCTEOSA-N 0 0 275.779 4.912 10 0 CJAERN Cc1cc(N[C@H](C)CCC(C)C)ccc1Br ZINC000021012276 171287508 /nfs/dbraw/zinc/28/75/08/171287508.db2.gz CEIIWBNXSXFMHN-GFCCVEGCSA-N 0 0 284.241 4.994 10 0 CJAERN Cc1cc(N[C@@H](C)CCC(C)C)ccc1Br ZINC000021012277 171287783 /nfs/dbraw/zinc/28/77/83/171287783.db2.gz CEIIWBNXSXFMHN-LBPRGKRZSA-N 0 0 284.241 4.994 10 0 CJAERN Cc1cc(Cl)ccc1NC1[C@H](C)CCC[C@H]1C ZINC000021012308 171288185 /nfs/dbraw/zinc/28/81/85/171288185.db2.gz IUOHWZGPTWYNIB-GHMZBOCLSA-N 0 0 251.801 4.885 10 0 CJAERN Cc1cc(Cl)ccc1NC1[C@@H](C)CCC[C@@H]1C ZINC000021012310 171287978 /nfs/dbraw/zinc/28/79/78/171287978.db2.gz IUOHWZGPTWYNIB-QWRGUYRKSA-N 0 0 251.801 4.885 10 0 CJAERN Cc1ccsc1CNc1cccc(Cl)c1C ZINC000021012311 171288207 /nfs/dbraw/zinc/28/82/07/171288207.db2.gz VJIBWEPUGGIQIL-UHFFFAOYSA-N 0 0 251.782 4.630 10 0 CJAERN CCc1ccccc1N[C@@H](C)c1ccc(F)cc1F ZINC000021012332 171287974 /nfs/dbraw/zinc/28/79/74/171287974.db2.gz LSTXIUJLPVPJCA-NSHDSACASA-N 0 0 261.315 4.700 10 0 CJAERN CCc1ccccc1N[C@H](C)c1ccc(F)cc1F ZINC000021012333 171288054 /nfs/dbraw/zinc/28/80/54/171288054.db2.gz LSTXIUJLPVPJCA-LLVKDONJSA-N 0 0 261.315 4.700 10 0 CJAERN CCc1ccc(NCc2c(C)cc(C)cc2C)cc1 ZINC000021012443 171287887 /nfs/dbraw/zinc/28/78/87/171287887.db2.gz FTQWRTVXCCYGSD-UHFFFAOYSA-N 0 0 253.389 4.786 10 0 CJAERN Fc1cc(F)cc(NCc2cccc(Cl)c2Cl)c1 ZINC000021012465 171288160 /nfs/dbraw/zinc/28/81/60/171288160.db2.gz NWEJJFZBKQLOFB-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN CCC(CC)Nc1ccccc1Cc1ccccc1 ZINC000021012466 171288182 /nfs/dbraw/zinc/28/81/82/171288182.db2.gz SKMZFEKXUOFFJA-UHFFFAOYSA-N 0 0 253.389 4.878 10 0 CJAERN CCc1ccc(CNc2ccc(Cl)cc2C)cc1 ZINC000021012522 171288118 /nfs/dbraw/zinc/28/81/18/171288118.db2.gz NXRFKSDHPIFQGY-UHFFFAOYSA-N 0 0 259.780 4.823 10 0 CJAERN Cc1ccc(N[C@H](C)c2ccc(Cl)cc2)cc1F ZINC000021012545 171288092 /nfs/dbraw/zinc/28/80/92/171288092.db2.gz YVDBBLNSKAPJML-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(N[C@@H](C)c2ccc(Cl)cc2)cc1F ZINC000021012546 171288042 /nfs/dbraw/zinc/28/80/42/171288042.db2.gz YVDBBLNSKAPJML-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN Cc1cc(Cl)cc(C)c1Oc1ccc(C=O)cc1F ZINC000021012579 171288184 /nfs/dbraw/zinc/28/81/84/171288184.db2.gz HVVYOJLICYTVQD-UHFFFAOYSA-N 0 0 278.710 4.701 10 0 CJAERN c1csc(CNc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000021012599 171288172 /nfs/dbraw/zinc/28/81/72/171288172.db2.gz UIABFNAMUBZOBE-UHFFFAOYSA-N 0 0 277.392 4.931 10 0 CJAERN COc1ccc(Cl)cc1N[C@@H]1CCCc2ccccc21 ZINC000021012717 171288562 /nfs/dbraw/zinc/28/85/62/171288562.db2.gz LYGITGNUHFAOEV-OAHLLOKOSA-N 0 0 287.790 4.838 10 0 CJAERN COc1ccc(Cl)cc1N[C@H]1CCCc2ccccc21 ZINC000021012718 171288381 /nfs/dbraw/zinc/28/83/81/171288381.db2.gz LYGITGNUHFAOEV-HNNXBMFYSA-N 0 0 287.790 4.838 10 0 CJAERN Fc1ccc(NCc2c(Cl)cccc2Cl)c(F)c1 ZINC000021012729 171288435 /nfs/dbraw/zinc/28/84/35/171288435.db2.gz KPXDJWWGODNPOY-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Cc1ccc(NCCCc2ccccc2)cc1Cl ZINC000021012942 171288505 /nfs/dbraw/zinc/28/85/05/171288505.db2.gz ZMWWAAFWYOBONZ-UHFFFAOYSA-N 0 0 259.780 4.693 10 0 CJAERN CCc1ccc([C@@H](C)Nc2cc(F)ccc2F)cc1 ZINC000021012970 171288569 /nfs/dbraw/zinc/28/85/69/171288569.db2.gz DTROBTZOHUSIJN-LLVKDONJSA-N 0 0 261.315 4.700 10 0 CJAERN CCc1ccc([C@H](C)Nc2cc(F)ccc2F)cc1 ZINC000021012971 171288341 /nfs/dbraw/zinc/28/83/41/171288341.db2.gz DTROBTZOHUSIJN-NSHDSACASA-N 0 0 261.315 4.700 10 0 CJAERN CCOc1ccc(NC2CCC(CC)CC2)cc1OCC ZINC000021013077 171288543 /nfs/dbraw/zinc/28/85/43/171288543.db2.gz JGSXHKAXEGLYTR-UHFFFAOYSA-N 0 0 291.435 4.865 10 0 CJAERN Cc1ccc(Cl)cc1N[C@@H](C)CCc1ccc(O)cc1 ZINC000021013272 171288653 /nfs/dbraw/zinc/28/86/53/171288653.db2.gz HDOPLZNTCTXNOS-ZDUSSCGKSA-N 0 0 289.806 4.787 10 0 CJAERN Cc1ccc(Cl)cc1N[C@H](C)CCc1ccc(O)cc1 ZINC000021013273 171288630 /nfs/dbraw/zinc/28/86/30/171288630.db2.gz HDOPLZNTCTXNOS-CYBMUJFWSA-N 0 0 289.806 4.787 10 0 CJAERN c1cnc2c(c1)cccc2NC1CCCCCCC1 ZINC000021013293 171288655 /nfs/dbraw/zinc/28/86/55/171288655.db2.gz NKOHZIRCUNZEHT-UHFFFAOYSA-N 0 0 254.377 4.760 10 0 CJAERN CC(C)c1ccccc1NCc1c(F)cccc1F ZINC000021013298 171288616 /nfs/dbraw/zinc/28/86/16/171288616.db2.gz CAQHGVWWIVWOTL-UHFFFAOYSA-N 0 0 261.315 4.700 10 0 CJAERN CCCCc1ccc(NCc2ccccc2C)cc1 ZINC000021013305 171288641 /nfs/dbraw/zinc/28/86/41/171288641.db2.gz AGWSDIIINXZLTG-UHFFFAOYSA-N 0 0 253.389 4.950 10 0 CJAERN CC(C)CC[C@@H](C)Nc1ccc(OC(F)F)cc1 ZINC000021013695 171288805 /nfs/dbraw/zinc/28/88/05/171288805.db2.gz GHSISYPUXMATNK-LLVKDONJSA-N 0 0 257.324 4.525 10 0 CJAERN CC(C)CC[C@H](C)Nc1ccc(OC(F)F)cc1 ZINC000021013696 171289008 /nfs/dbraw/zinc/28/90/08/171289008.db2.gz GHSISYPUXMATNK-NSHDSACASA-N 0 0 257.324 4.525 10 0 CJAERN C[C@@H]1CCCC[C@@H]1Nc1ccccc1SC(F)F ZINC000021013703 171288785 /nfs/dbraw/zinc/28/87/85/171288785.db2.gz XCCIGNQTQNHGEY-MNOVXSKESA-N 0 0 271.376 4.992 10 0 CJAERN C[C@H]1CCCC[C@@H]1Nc1ccccc1SC(F)F ZINC000021013704 171288732 /nfs/dbraw/zinc/28/87/32/171288732.db2.gz XCCIGNQTQNHGEY-QWRGUYRKSA-N 0 0 271.376 4.992 10 0 CJAERN C[C@@H]1CCCC[C@H]1Nc1ccccc1SC(F)F ZINC000021013705 171288855 /nfs/dbraw/zinc/28/88/55/171288855.db2.gz XCCIGNQTQNHGEY-GHMZBOCLSA-N 0 0 271.376 4.992 10 0 CJAERN C[C@H]1CCCC[C@H]1Nc1ccccc1SC(F)F ZINC000021013706 171288997 /nfs/dbraw/zinc/28/89/97/171288997.db2.gz XCCIGNQTQNHGEY-WDEREUQCSA-N 0 0 271.376 4.992 10 0 CJAERN COc1ccc([C@@H](C)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000021013743 171288895 /nfs/dbraw/zinc/28/88/95/171288895.db2.gz JDDUSKPFUPOHHY-LLVKDONJSA-N 0 0 295.304 4.887 10 0 CJAERN COc1ccc([C@H](C)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000021013744 171288948 /nfs/dbraw/zinc/28/89/48/171288948.db2.gz JDDUSKPFUPOHHY-NSHDSACASA-N 0 0 295.304 4.887 10 0 CJAERN CC(=O)c1ccc(Oc2cccc(C(C)C)c2)c(F)c1 ZINC000021013770 171289029 /nfs/dbraw/zinc/28/90/29/171289029.db2.gz OKPMORPMJWYKML-UHFFFAOYSA-N 0 0 272.319 4.944 10 0 CJAERN Cc1cc(Cl)ccc1N[C@H](C)c1cccc(O)c1 ZINC000021013875 171288865 /nfs/dbraw/zinc/28/88/65/171288865.db2.gz UCWRFNBOOHPYHS-LLVKDONJSA-N 0 0 261.752 4.527 10 0 CJAERN Cc1cc(Cl)ccc1N[C@@H](C)c1cccc(O)c1 ZINC000021013876 171288973 /nfs/dbraw/zinc/28/89/73/171288973.db2.gz UCWRFNBOOHPYHS-NSHDSACASA-N 0 0 261.752 4.527 10 0 CJAERN Cc1ccc(Cl)cc1NCc1ccc(Cl)s1 ZINC000021014006 171289038 /nfs/dbraw/zinc/28/90/38/171289038.db2.gz MLDSAMFKLJMJSV-UHFFFAOYSA-N 0 0 272.200 4.975 10 0 CJAERN C[C@@H](Nc1cccc2c1CCCC2)c1cccs1 ZINC000021014069 171288960 /nfs/dbraw/zinc/28/89/60/171288960.db2.gz GAERYKGAMRJTMR-GFCCVEGCSA-N 0 0 257.402 4.800 10 0 CJAERN C[C@H](Nc1cccc2c1CCCC2)c1cccs1 ZINC000021014071 171288962 /nfs/dbraw/zinc/28/89/62/171288962.db2.gz GAERYKGAMRJTMR-LBPRGKRZSA-N 0 0 257.402 4.800 10 0 CJAERN Cc1cc(Br)cc(C)c1NC1CCCCC1 ZINC000021014126 171288950 /nfs/dbraw/zinc/28/89/50/171288950.db2.gz KEWSDRAXKZFVAL-UHFFFAOYSA-N 0 0 282.225 4.811 10 0 CJAERN Clc1cc(Cl)cc(N[C@@H]2CCOc3ccccc32)c1 ZINC000021014211 171289428 /nfs/dbraw/zinc/28/94/28/171289428.db2.gz YAZZUVYSJLTUIB-CQSZACIVSA-N 0 0 294.181 4.929 10 0 CJAERN Clc1cc(Cl)cc(N[C@H]2CCOc3ccccc32)c1 ZINC000021014212 171289108 /nfs/dbraw/zinc/28/91/08/171289108.db2.gz YAZZUVYSJLTUIB-AWEZNQCLSA-N 0 0 294.181 4.929 10 0 CJAERN Fc1ccc(F)c(NCc2ccc(C(F)(F)F)cc2)c1 ZINC000021014214 171289241 /nfs/dbraw/zinc/28/92/41/171289241.db2.gz NWRSEWFXKXYIIO-UHFFFAOYSA-N 0 0 287.231 4.596 10 0 CJAERN Cc1cc(Cl)ccc1N[C@H](C)c1ccc(O)cc1 ZINC000021014278 171289206 /nfs/dbraw/zinc/28/92/06/171289206.db2.gz NYHMQTVXXHYVAQ-LLVKDONJSA-N 0 0 261.752 4.527 10 0 CJAERN Cc1cc(Cl)ccc1N[C@@H](C)c1ccc(O)cc1 ZINC000021014280 171289255 /nfs/dbraw/zinc/28/92/55/171289255.db2.gz NYHMQTVXXHYVAQ-NSHDSACASA-N 0 0 261.752 4.527 10 0 CJAERN CCOc1ccc([C@@H](C)Nc2ccc(F)cc2F)cc1 ZINC000021014286 171289168 /nfs/dbraw/zinc/28/91/68/171289168.db2.gz CBTOZBMBMBYZFD-LLVKDONJSA-N 0 0 277.314 4.537 10 0 CJAERN CCOc1ccc([C@H](C)Nc2ccc(F)cc2F)cc1 ZINC000021014288 171289271 /nfs/dbraw/zinc/28/92/71/171289271.db2.gz CBTOZBMBMBYZFD-NSHDSACASA-N 0 0 277.314 4.537 10 0 CJAERN CCc1ccc([C@@H](C)Nc2ccc(F)cc2C)cc1 ZINC000021014480 171289364 /nfs/dbraw/zinc/28/93/64/171289364.db2.gz GUVZILOUCHFHGQ-CYBMUJFWSA-N 0 0 257.352 4.870 10 0 CJAERN CCc1ccc([C@H](C)Nc2ccc(F)cc2C)cc1 ZINC000021014482 171289291 /nfs/dbraw/zinc/28/92/91/171289291.db2.gz GUVZILOUCHFHGQ-ZDUSSCGKSA-N 0 0 257.352 4.870 10 0 CJAERN Fc1ccccc1NCc1ccc(Cl)c(Cl)c1 ZINC000021014490 171289249 /nfs/dbraw/zinc/28/92/49/171289249.db2.gz LYHFVYKGAIQLLX-UHFFFAOYSA-N 0 0 270.134 4.745 10 0 CJAERN C[C@@H]1CCCC[C@@H]1Nc1ccc(Cl)c(Cl)c1 ZINC000021014519 171289341 /nfs/dbraw/zinc/28/93/41/171289341.db2.gz PAKXPFVEANDRFU-RNCFNFMXSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@H]1CCCC[C@@H]1Nc1ccc(Cl)c(Cl)c1 ZINC000021014521 171289133 /nfs/dbraw/zinc/28/91/33/171289133.db2.gz PAKXPFVEANDRFU-ZANVPECISA-N 0 0 258.192 4.984 10 0 CJAERN C[C@@H]1CCCC[C@H]1Nc1ccc(Cl)c(Cl)c1 ZINC000021014523 171289339 /nfs/dbraw/zinc/28/93/39/171289339.db2.gz PAKXPFVEANDRFU-NOZJJQNGSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@H]1CCCC[C@H]1Nc1ccc(Cl)c(Cl)c1 ZINC000021014525 171289273 /nfs/dbraw/zinc/28/92/73/171289273.db2.gz PAKXPFVEANDRFU-TVQRCGJNSA-N 0 0 258.192 4.984 10 0 CJAERN CC(C)c1ccc(Oc2ccc(C=O)cc2F)cc1 ZINC000021014529 171289197 /nfs/dbraw/zinc/28/91/97/171289197.db2.gz POLDWHXETCLNNU-UHFFFAOYSA-N 0 0 258.292 4.554 10 0 CJAERN COc1ccc([C@@H](C)Nc2cccc(Cl)c2C)cc1F ZINC000021014682 171289193 /nfs/dbraw/zinc/28/91/93/171289193.db2.gz LIUDZLOUUBPZIU-LLVKDONJSA-N 0 0 293.769 4.969 10 0 CJAERN COc1ccc([C@H](C)Nc2cccc(Cl)c2C)cc1F ZINC000021014684 171289213 /nfs/dbraw/zinc/28/92/13/171289213.db2.gz LIUDZLOUUBPZIU-NSHDSACASA-N 0 0 293.769 4.969 10 0 CJAERN Clc1ccc(NC[C@H]2CC=CCC2)c(Cl)c1 ZINC000021014718 171289145 /nfs/dbraw/zinc/28/91/45/171289145.db2.gz OXRBSHSXQCCVES-JTQLQIEISA-N 0 0 256.176 4.762 10 0 CJAERN Clc1ccc(NC[C@@H]2CC=CCC2)c(Cl)c1 ZINC000021014720 171289138 /nfs/dbraw/zinc/28/91/38/171289138.db2.gz OXRBSHSXQCCVES-SNVBAGLBSA-N 0 0 256.176 4.762 10 0 CJAERN Cc1cc(N[C@H](C)CC(C)C)ccc1Br ZINC000021014899 171289406 /nfs/dbraw/zinc/28/94/06/171289406.db2.gz FUFYBFZWLUFLEJ-LLVKDONJSA-N 0 0 270.214 4.604 10 0 CJAERN Cc1cc(N[C@@H](C)CC(C)C)ccc1Br ZINC000021014901 171289333 /nfs/dbraw/zinc/28/93/33/171289333.db2.gz FUFYBFZWLUFLEJ-NSHDSACASA-N 0 0 270.214 4.604 10 0 CJAERN Cc1ccc(CNc2ccc(C)c(Cl)c2)c(C)c1 ZINC000021014989 171289185 /nfs/dbraw/zinc/28/91/85/171289185.db2.gz FJBATALTSQTUGX-UHFFFAOYSA-N 0 0 259.780 4.877 10 0 CJAERN Clc1ccc(NCCc2ccccc2)c(Cl)c1 ZINC000021015008 171289224 /nfs/dbraw/zinc/28/92/24/171289224.db2.gz NOBJJKJSMSQKCL-UHFFFAOYSA-N 0 0 266.171 4.648 10 0 CJAERN CC(C)Oc1ccc([C@@H](C)Nc2cc(F)ccc2F)cc1 ZINC000021015050 171289319 /nfs/dbraw/zinc/28/93/19/171289319.db2.gz UQOUPQNEOHBSBN-GFCCVEGCSA-N 0 0 291.341 4.925 10 0 CJAERN CC(C)Oc1ccc([C@H](C)Nc2cc(F)ccc2F)cc1 ZINC000021015052 171289392 /nfs/dbraw/zinc/28/93/92/171289392.db2.gz UQOUPQNEOHBSBN-LBPRGKRZSA-N 0 0 291.341 4.925 10 0 CJAERN Cc1ccc(NC[C@H](C)c2ccccc2)cc1Cl ZINC000021015092 171289125 /nfs/dbraw/zinc/28/91/25/171289125.db2.gz DNGSLKOAZNODPV-ZDUSSCGKSA-N 0 0 259.780 4.864 10 0 CJAERN Cc1ccc(NC[C@@H](C)c2ccccc2)cc1Cl ZINC000021015094 171289195 /nfs/dbraw/zinc/28/91/95/171289195.db2.gz DNGSLKOAZNODPV-CYBMUJFWSA-N 0 0 259.780 4.864 10 0 CJAERN COc1ccc(Cl)cc1NCc1ccc(C)cc1C ZINC000021015271 171289677 /nfs/dbraw/zinc/28/96/77/171289677.db2.gz GILPPADJEPWLHQ-UHFFFAOYSA-N 0 0 275.779 4.578 10 0 CJAERN Cc1sc2nc(-c3cccc(C)c3)nc(Cl)c2c1C ZINC000021015447 171289508 /nfs/dbraw/zinc/28/95/08/171289508.db2.gz ALDPTFNDHLMPJN-UHFFFAOYSA-N 0 0 288.803 4.937 10 0 CJAERN CCc1ccc(CNc2ccc(C)c(Cl)c2)cc1 ZINC000021015460 171289780 /nfs/dbraw/zinc/28/97/80/171289780.db2.gz ZWBGSNLTQONDGS-UHFFFAOYSA-N 0 0 259.780 4.823 10 0 CJAERN CC1CCC(Nc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000021015463 171289642 /nfs/dbraw/zinc/28/96/42/171289642.db2.gz IYJVKRAYUWUCGW-UHFFFAOYSA-N 0 0 292.732 4.744 10 0 CJAERN Cc1cc(Br)ccc1NC1CCCCCC1 ZINC000021015509 171289746 /nfs/dbraw/zinc/28/97/46/171289746.db2.gz UXZXARKKAHNMMM-UHFFFAOYSA-N 0 0 282.225 4.892 10 0 CJAERN Cc1ccc(Cl)cc1NCc1ccccc1Cl ZINC000021015531 171289643 /nfs/dbraw/zinc/28/96/43/171289643.db2.gz LRPXDSYJRQTDGR-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN C[C@@H]1C[C@@H](Nc2cc(F)cc(F)c2)CC(C)(C)C1 ZINC000021015541 171289484 /nfs/dbraw/zinc/28/94/84/171289484.db2.gz WZJMJKKMPFOAGC-QMTHXVAHSA-N 0 0 253.336 4.592 10 0 CJAERN C[C@H]1C[C@@H](Nc2cc(F)cc(F)c2)CC(C)(C)C1 ZINC000021015544 171289555 /nfs/dbraw/zinc/28/95/55/171289555.db2.gz WZJMJKKMPFOAGC-IINYFYTJSA-N 0 0 253.336 4.592 10 0 CJAERN C[C@@H]1C[C@H](Nc2cc(F)cc(F)c2)CC(C)(C)C1 ZINC000021015547 171289693 /nfs/dbraw/zinc/28/96/93/171289693.db2.gz WZJMJKKMPFOAGC-YGRLFVJLSA-N 0 0 253.336 4.592 10 0 CJAERN C[C@H]1C[C@H](Nc2cc(F)cc(F)c2)CC(C)(C)C1 ZINC000021015550 171289761 /nfs/dbraw/zinc/28/97/61/171289761.db2.gz WZJMJKKMPFOAGC-HZMBPMFUSA-N 0 0 253.336 4.592 10 0 CJAERN c1ccc2c(c1)CCC[C@H]2Nc1cccc2cccnc21 ZINC000021015631 171289696 /nfs/dbraw/zinc/28/96/96/171289696.db2.gz OKFMWTCRMMFXJQ-QGZVFWFLSA-N 0 0 274.367 4.724 10 0 CJAERN c1ccc2c(c1)CCC[C@@H]2Nc1cccc2cccnc21 ZINC000021015634 171289641 /nfs/dbraw/zinc/28/96/41/171289641.db2.gz OKFMWTCRMMFXJQ-KRWDZBQOSA-N 0 0 274.367 4.724 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2nc3ccccc3s2)[C@@H]1C ZINC000021015647 171289678 /nfs/dbraw/zinc/28/96/78/171289678.db2.gz AINZZUBUDAZNNF-IJLUTSLNSA-N 0 0 260.406 4.533 10 0 CJAERN C[C@H]1[C@H](Nc2nc3ccccc3s2)CCC[C@@H]1C ZINC000021015650 171289766 /nfs/dbraw/zinc/28/97/66/171289766.db2.gz AINZZUBUDAZNNF-QJPTWQEYSA-N 0 0 260.406 4.533 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2nc3ccccc3s2)[C@@H]1C ZINC000021015653 171289574 /nfs/dbraw/zinc/28/95/74/171289574.db2.gz AINZZUBUDAZNNF-UTUOFQBUSA-N 0 0 260.406 4.533 10 0 CJAERN C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1nc2ccccc2s1 ZINC000021015656 171289614 /nfs/dbraw/zinc/28/96/14/171289614.db2.gz AINZZUBUDAZNNF-TUAOUCFPSA-N 0 0 260.406 4.533 10 0 CJAERN CCCc1ccc([C@@H](C)Nc2ccccc2OC)cc1 ZINC000021015689 171289747 /nfs/dbraw/zinc/28/97/47/171289747.db2.gz RFHJPBMVONXNSI-CQSZACIVSA-N 0 0 269.388 4.821 10 0 CJAERN CCCc1ccc([C@H](C)Nc2ccccc2OC)cc1 ZINC000021015692 171289704 /nfs/dbraw/zinc/28/97/04/171289704.db2.gz RFHJPBMVONXNSI-AWEZNQCLSA-N 0 0 269.388 4.821 10 0 CJAERN Nc1cccc(Cl)c1Sc1ccccc1Cl ZINC000021015946 171289674 /nfs/dbraw/zinc/28/96/74/171289674.db2.gz ZEADHEJXFNRONL-UHFFFAOYSA-N 0 0 270.184 4.727 10 0 CJAERN Cc1cc(C)c(CNc2ccc(F)cc2F)c(C)c1 ZINC000021016167 171289743 /nfs/dbraw/zinc/28/97/43/171289743.db2.gz JVSIYLOHHPKCDI-UHFFFAOYSA-N 0 0 261.315 4.502 10 0 CJAERN Fc1cccc(Cl)c1CNc1cccc2cccnc21 ZINC000021016422 171289514 /nfs/dbraw/zinc/28/95/14/171289514.db2.gz FYVHFAKPHMNZGA-UHFFFAOYSA-N 0 0 286.737 4.639 10 0 CJAERN CCOc1ccccc1CNc1ccc(C(F)(F)F)cc1 ZINC000021016542 171289860 /nfs/dbraw/zinc/28/98/60/171289860.db2.gz TXNLSMIKFGFXGE-UHFFFAOYSA-N 0 0 295.304 4.716 10 0 CJAERN Cc1ccc(Sc2ccc(N)cc2Cl)cc1C ZINC000021016750 171289884 /nfs/dbraw/zinc/28/98/84/171289884.db2.gz OFIOEFGDEAPGCG-UHFFFAOYSA-N 0 0 263.793 4.690 10 0 CJAERN CCC(CC)CNc1ccc(OC(F)F)c(Cl)c1 ZINC000021016794 171289977 /nfs/dbraw/zinc/28/99/77/171289977.db2.gz KABYMIFYPZJGSA-UHFFFAOYSA-N 0 0 277.742 4.790 10 0 CJAERN Cc1cc(C)cc(N[C@@H](C)CCc2ccccc2)c1 ZINC000021016909 171289986 /nfs/dbraw/zinc/28/99/86/171289986.db2.gz IFBZKUDEIAYLAB-INIZCTEOSA-N 0 0 253.389 4.737 10 0 CJAERN Cc1cc(C)cc(N[C@H](C)CCc2ccccc2)c1 ZINC000021016913 171289846 /nfs/dbraw/zinc/28/98/46/171289846.db2.gz IFBZKUDEIAYLAB-MRXNPFEDSA-N 0 0 253.389 4.737 10 0 CJAERN COc1ccc(C)cc1[C@@H](C)Nc1cc(F)ccc1C ZINC000021017816 184535952 /nfs/dbraw/zinc/53/59/52/184535952.db2.gz RLJMNZCJEFWRMW-CYBMUJFWSA-N 0 0 273.351 4.624 10 0 CJAERN COc1ccc(C)cc1[C@H](C)Nc1cc(F)ccc1C ZINC000021017821 184536005 /nfs/dbraw/zinc/53/60/05/184536005.db2.gz RLJMNZCJEFWRMW-ZDUSSCGKSA-N 0 0 273.351 4.624 10 0 CJAERN Cc1ccc(N[C@@H]2CCCC[C@@H]2C)c(Br)c1 ZINC000021017887 184536024 /nfs/dbraw/zinc/53/60/24/184536024.db2.gz GJRAULOGAHTQMW-WCQYABFASA-N 0 0 282.225 4.748 10 0 CJAERN COc1ccc2c(c1)CCC[C@@H]2Nc1ccc(F)cc1C ZINC000021018035 184535980 /nfs/dbraw/zinc/53/59/80/184535980.db2.gz IEZDXGAMDQDCLC-SFHVURJKSA-N 0 0 285.362 4.632 10 0 CJAERN COc1ccc2c(c1)CCC[C@H]2Nc1ccc(F)cc1C ZINC000021018039 184536016 /nfs/dbraw/zinc/53/60/16/184536016.db2.gz IEZDXGAMDQDCLC-GOSISDBHSA-N 0 0 285.362 4.632 10 0 CJAERN c1ccc2c(c1)CCC[C@H]2Nc1cccc2ncccc21 ZINC000021018228 184536002 /nfs/dbraw/zinc/53/60/02/184536002.db2.gz ZJCKFFPACVMQKM-GOSISDBHSA-N 0 0 274.367 4.724 10 0 CJAERN C[C@@H](NCc1c(F)cccc1Cl)c1cccc(Cl)c1 ZINC000021018517 171290323 /nfs/dbraw/zinc/29/03/23/171290323.db2.gz MHLSLLKNFSJAFA-SNVBAGLBSA-N 0 0 298.188 4.983 10 0 CJAERN C[C@H](NCc1c(F)cccc1Cl)c1cccc(Cl)c1 ZINC000021018520 171290220 /nfs/dbraw/zinc/29/02/20/171290220.db2.gz MHLSLLKNFSJAFA-JTQLQIEISA-N 0 0 298.188 4.983 10 0 CJAERN COc1ccc(C)cc1N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021018744 171290397 /nfs/dbraw/zinc/29/03/97/171290397.db2.gz CXSQISFRDSCGGW-NUEKZKHPSA-N 0 0 275.436 4.876 10 0 CJAERN COc1ccc(C)cc1N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021018749 171290063 /nfs/dbraw/zinc/29/00/63/171290063.db2.gz CXSQISFRDSCGGW-IMJJTQAJSA-N 0 0 275.436 4.876 10 0 CJAERN COc1ccc(C)cc1N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000021018752 171290269 /nfs/dbraw/zinc/29/02/69/171290269.db2.gz CXSQISFRDSCGGW-FVQBIDKESA-N 0 0 275.436 4.876 10 0 CJAERN COc1ccc(C)cc1N[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000021018756 171290185 /nfs/dbraw/zinc/29/01/85/171290185.db2.gz CXSQISFRDSCGGW-BMFZPTHFSA-N 0 0 275.436 4.876 10 0 CJAERN CC[C@@H]1CCCC[C@@H]1Oc1ccc(N)c(C(F)(F)F)c1 ZINC000021018772 171290262 /nfs/dbraw/zinc/29/02/62/171290262.db2.gz YNJPNNMHVNQXHW-YGRLFVJLSA-N 0 0 287.325 4.635 10 0 CJAERN CC[C@H]1CCCC[C@@H]1Oc1ccc(N)c(C(F)(F)F)c1 ZINC000021018776 171290240 /nfs/dbraw/zinc/29/02/40/171290240.db2.gz YNJPNNMHVNQXHW-HZMBPMFUSA-N 0 0 287.325 4.635 10 0 CJAERN CC[C@@H]1CCCC[C@H]1Oc1ccc(N)c(C(F)(F)F)c1 ZINC000021018780 171290349 /nfs/dbraw/zinc/29/03/49/171290349.db2.gz YNJPNNMHVNQXHW-QMTHXVAHSA-N 0 0 287.325 4.635 10 0 CJAERN CC[C@H]1CCCC[C@H]1Oc1ccc(N)c(C(F)(F)F)c1 ZINC000021018784 171290177 /nfs/dbraw/zinc/29/01/77/171290177.db2.gz YNJPNNMHVNQXHW-IINYFYTJSA-N 0 0 287.325 4.635 10 0 CJAERN Clc1ccc(CNc2cccc3c2CCCC3)cc1 ZINC000021018982 171290282 /nfs/dbraw/zinc/29/02/82/171290282.db2.gz BOKWERKSFZMGHW-UHFFFAOYSA-N 0 0 271.791 4.831 10 0 CJAERN Clc1ccc2c(c1)nccc2NCCc1ccccc1 ZINC000021019388 171290310 /nfs/dbraw/zinc/29/03/10/171290310.db2.gz GDWSQAQHYMOXML-UHFFFAOYSA-N 0 0 282.774 4.543 10 0 CJAERN CC[C@@H](C)[C@H](c1nc2cc(N)ccc2o1)c1ccccc1 ZINC000021019564 171290273 /nfs/dbraw/zinc/29/02/73/171290273.db2.gz NUSDCZWVKNEYKL-PXAZEXFGSA-N 0 0 280.371 4.588 10 0 CJAERN CC[C@H](C)[C@H](c1nc2cc(N)ccc2o1)c1ccccc1 ZINC000021019567 171290307 /nfs/dbraw/zinc/29/03/07/171290307.db2.gz NUSDCZWVKNEYKL-SJCJKPOMSA-N 0 0 280.371 4.588 10 0 CJAERN CC[C@@H](C)[C@@H](c1nc2cc(N)ccc2o1)c1ccccc1 ZINC000021019571 171290094 /nfs/dbraw/zinc/29/00/94/171290094.db2.gz NUSDCZWVKNEYKL-SJKOYZFVSA-N 0 0 280.371 4.588 10 0 CJAERN CC[C@H](C)[C@@H](c1nc2cc(N)ccc2o1)c1ccccc1 ZINC000021019574 171290233 /nfs/dbraw/zinc/29/02/33/171290233.db2.gz NUSDCZWVKNEYKL-YVEFUNNKSA-N 0 0 280.371 4.588 10 0 CJAERN COc1cc(Cl)c(C)cc1NC1CCCCCC1 ZINC000021019802 171290284 /nfs/dbraw/zinc/29/02/84/171290284.db2.gz HXRADZSNPLGASZ-UHFFFAOYSA-N 0 0 267.800 4.792 10 0 CJAERN Fc1ccc(F)c(N[C@@H]2CCCCc3ccccc32)c1 ZINC000021019895 171290170 /nfs/dbraw/zinc/29/01/70/171290170.db2.gz ZINOZHFKOUDHSI-MRXNPFEDSA-N 0 0 273.326 4.844 10 0 CJAERN Fc1ccc(F)c(N[C@H]2CCCCc3ccccc32)c1 ZINC000021019899 171290556 /nfs/dbraw/zinc/29/05/56/171290556.db2.gz ZINOZHFKOUDHSI-INIZCTEOSA-N 0 0 273.326 4.844 10 0 CJAERN CCC[C@@H](C)Nc1ccc(Cl)cc1C(F)(F)F ZINC000021020029 171290573 /nfs/dbraw/zinc/29/05/73/171290573.db2.gz KRIPUUWZLAZTAG-MRVPVSSYSA-N 0 0 265.706 4.959 10 0 CJAERN CCC[C@H](C)Nc1ccc(Cl)cc1C(F)(F)F ZINC000021020031 171290582 /nfs/dbraw/zinc/29/05/82/171290582.db2.gz KRIPUUWZLAZTAG-QMMMGPOBSA-N 0 0 265.706 4.959 10 0 CJAERN Cc1ccc(F)cc1NCc1ccccc1OC(F)(F)F ZINC000021021868 171290759 /nfs/dbraw/zinc/29/07/59/171290759.db2.gz ZUFPACMIGJSEGZ-UHFFFAOYSA-N 0 0 299.267 4.645 10 0 CJAERN CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1cc(F)cc(F)c1 ZINC000021022405 171290701 /nfs/dbraw/zinc/29/07/01/171290701.db2.gz ZMMFEXCIDIRPOM-CABCVRRESA-N 0 0 267.363 4.982 10 0 CJAERN CC(C)(C)[C@H]1CCCC[C@@H]1Nc1cc(F)cc(F)c1 ZINC000021022412 171290896 /nfs/dbraw/zinc/29/08/96/171290896.db2.gz ZMMFEXCIDIRPOM-GJZGRUSLSA-N 0 0 267.363 4.982 10 0 CJAERN CC(C)(C)[C@@H]1CCCC[C@H]1Nc1cc(F)cc(F)c1 ZINC000021022419 171290828 /nfs/dbraw/zinc/29/08/28/171290828.db2.gz ZMMFEXCIDIRPOM-HUUCEWRRSA-N 0 0 267.363 4.982 10 0 CJAERN CC(C)(C)[C@H]1CCCC[C@H]1Nc1cc(F)cc(F)c1 ZINC000021022426 171290704 /nfs/dbraw/zinc/29/07/04/171290704.db2.gz ZMMFEXCIDIRPOM-LSDHHAIUSA-N 0 0 267.363 4.982 10 0 CJAERN c1ccc2c(c1)CCC[C@H]2Nc1ccc2c(c1)CCC2 ZINC000021022600 171290676 /nfs/dbraw/zinc/29/06/76/171290676.db2.gz KBVHNQQNEPOMCK-LJQANCHMSA-N 0 0 263.384 4.665 10 0 CJAERN c1ccc2c(c1)CCC[C@@H]2Nc1ccc2c(c1)CCC2 ZINC000021022607 171290872 /nfs/dbraw/zinc/29/08/72/171290872.db2.gz KBVHNQQNEPOMCK-IBGZPJMESA-N 0 0 263.384 4.665 10 0 CJAERN Cc1ccc(NCc2ccccc2Cl)cc1Cl ZINC000021022708 171290726 /nfs/dbraw/zinc/29/07/26/171290726.db2.gz DFUHCIBYRUICKD-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN Clc1cc(Cl)cc(NCCc2ccccc2)c1 ZINC000021023226 171290671 /nfs/dbraw/zinc/29/06/71/171290671.db2.gz BIVKBTRTHVJDFF-UHFFFAOYSA-N 0 0 266.171 4.648 10 0 CJAERN COc1ccc2c(c1)CCC[C@@H]2Nc1ccc(C)c(C)c1 ZINC000021023613 171290718 /nfs/dbraw/zinc/29/07/18/171290718.db2.gz DIVWHSMKYRDTOS-IBGZPJMESA-N 0 0 281.399 4.802 10 0 CJAERN COc1ccc2c(c1)CCC[C@H]2Nc1ccc(C)c(C)c1 ZINC000021023620 171290784 /nfs/dbraw/zinc/29/07/84/171290784.db2.gz DIVWHSMKYRDTOS-LJQANCHMSA-N 0 0 281.399 4.802 10 0 CJAERN c1ccc(Cc2ccccc2NC2CCCC2)cc1 ZINC000021024053 171290656 /nfs/dbraw/zinc/29/06/56/171290656.db2.gz AMWAEASGUXRJGR-UHFFFAOYSA-N 0 0 251.373 4.632 10 0 CJAERN COc1ccc(OC)c(NC2CCC(C(C)(C)C)CC2)c1 ZINC000021024652 171291272 /nfs/dbraw/zinc/29/12/72/171291272.db2.gz SQKFSXPRMCJQGB-UHFFFAOYSA-N 0 0 291.435 4.721 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000021024751 171291139 /nfs/dbraw/zinc/29/11/39/171291139.db2.gz DYPYUPWSIOOUOX-ZYHUDNBSSA-N 0 0 273.298 4.576 10 0 CJAERN C[C@H]1CCC[C@@H](Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000021024759 171291104 /nfs/dbraw/zinc/29/11/04/171291104.db2.gz DYPYUPWSIOOUOX-CMPLNLGQSA-N 0 0 273.298 4.576 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000021024768 171291334 /nfs/dbraw/zinc/29/13/34/171291334.db2.gz DYPYUPWSIOOUOX-PWSUYJOCSA-N 0 0 273.298 4.576 10 0 CJAERN C[C@H]1CCC[C@H](Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000021024775 171291243 /nfs/dbraw/zinc/29/12/43/171291243.db2.gz DYPYUPWSIOOUOX-JQWIXIFHSA-N 0 0 273.298 4.576 10 0 CJAERN COc1ccc([C@@H](C)Nc2ccc(Cl)cc2C)cc1 ZINC000021025225 171291090 /nfs/dbraw/zinc/29/10/90/171291090.db2.gz DFPPLJPDHRURGV-GFCCVEGCSA-N 0 0 275.779 4.830 10 0 CJAERN COc1ccc([C@H](C)Nc2ccc(Cl)cc2C)cc1 ZINC000021025233 171291228 /nfs/dbraw/zinc/29/12/28/171291228.db2.gz DFPPLJPDHRURGV-LBPRGKRZSA-N 0 0 275.779 4.830 10 0 CJAERN COc1ccc(NC2CCC(C(C)(C)C)CC2)cc1 ZINC000021025300 171291308 /nfs/dbraw/zinc/29/13/08/171291308.db2.gz CDHMFTMVJRGFFI-UHFFFAOYSA-N 0 0 261.409 4.712 10 0 CJAERN Cc1c(Cl)cccc1N[C@H](C)c1ccccc1F ZINC000021025802 171291181 /nfs/dbraw/zinc/29/11/81/171291181.db2.gz SCSHISRAZHQNAM-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1c(Cl)cccc1N[C@@H](C)c1ccccc1F ZINC000021025807 171291199 /nfs/dbraw/zinc/29/11/99/171291199.db2.gz SCSHISRAZHQNAM-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN COc1ccc(CNc2cc(Cl)ccc2Cl)cc1 ZINC000021025922 171291379 /nfs/dbraw/zinc/29/13/79/171291379.db2.gz LJLBDPWGJKPMSR-UHFFFAOYSA-N 0 0 282.170 4.614 10 0 CJAERN Cc1ccc(F)cc1N[C@H](C)c1cc(F)ccc1F ZINC000021026339 171291356 /nfs/dbraw/zinc/29/13/56/171291356.db2.gz QMCDIAURXKWOEU-SNVBAGLBSA-N 0 0 265.278 4.585 10 0 CJAERN Cc1ccc(F)cc1N[C@@H](C)c1cc(F)ccc1F ZINC000021026346 171291035 /nfs/dbraw/zinc/29/10/35/171291035.db2.gz QMCDIAURXKWOEU-JTQLQIEISA-N 0 0 265.278 4.585 10 0 CJAERN Cc1ccc(F)cc1NCc1ccc(OC(F)(F)F)cc1 ZINC000021027407 171291080 /nfs/dbraw/zinc/29/10/80/171291080.db2.gz WRMZNDVRNBAKTO-UHFFFAOYSA-N 0 0 299.267 4.645 10 0 CJAERN Cc1cc(C)cc(NCc2ccc(F)cc2Cl)c1 ZINC000021028898 171291700 /nfs/dbraw/zinc/29/17/00/171291700.db2.gz KCIIOOJAODRKNE-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN CCCc1ccc(NCc2cccc3cccnc32)cc1 ZINC000021029086 171291471 /nfs/dbraw/zinc/29/14/71/171291471.db2.gz WMNIWBJTWYZWBL-UHFFFAOYSA-N 0 0 276.383 4.799 10 0 CJAERN CC[C@@H](C)C[C@@H](CC)Nc1cccc2ncccc21 ZINC000021029107 171291605 /nfs/dbraw/zinc/29/16/05/171291605.db2.gz BNWBGGJCKCTDIC-ZIAGYGMSSA-N 0 0 256.393 4.862 10 0 CJAERN CC[C@H](C[C@@H](C)CC)Nc1cccc2ncccc21 ZINC000021029114 171291747 /nfs/dbraw/zinc/29/17/47/171291747.db2.gz BNWBGGJCKCTDIC-UONOGXRCSA-N 0 0 256.393 4.862 10 0 CJAERN CC[C@@H](C)C[C@H](CC)Nc1cccc2ncccc21 ZINC000021029122 171291692 /nfs/dbraw/zinc/29/16/92/171291692.db2.gz BNWBGGJCKCTDIC-KGLIPLIRSA-N 0 0 256.393 4.862 10 0 CJAERN CC[C@H](C)C[C@H](CC)Nc1cccc2ncccc21 ZINC000021029130 171291576 /nfs/dbraw/zinc/29/15/76/171291576.db2.gz BNWBGGJCKCTDIC-KBPBESRZSA-N 0 0 256.393 4.862 10 0 CJAERN CC(=O)c1ccccc1Oc1ccccc1C(F)(F)F ZINC000021029684 171291689 /nfs/dbraw/zinc/29/16/89/171291689.db2.gz KETFLZMWCPBAMS-UHFFFAOYSA-N 0 0 280.245 4.700 10 0 CJAERN C[C@@H](Nc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000021030745 171291608 /nfs/dbraw/zinc/29/16/08/171291608.db2.gz JNDDAFGJWSCWTA-ZZFFKQLHSA-N 0 0 255.405 4.703 10 0 CJAERN C[C@H](Nc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000021030752 171291679 /nfs/dbraw/zinc/29/16/79/171291679.db2.gz JNDDAFGJWSCWTA-IILDEKEXSA-N 0 0 255.405 4.703 10 0 CJAERN CSc1ccc([C@@H](C)Nc2ccc(F)c(F)c2)cc1 ZINC000021031149 171291836 /nfs/dbraw/zinc/29/18/36/171291836.db2.gz SASPCOKYJRMPAY-SNVBAGLBSA-N 0 0 279.355 4.860 10 0 CJAERN CSc1ccc([C@H](C)Nc2ccc(F)c(F)c2)cc1 ZINC000021031158 171291825 /nfs/dbraw/zinc/29/18/25/171291825.db2.gz SASPCOKYJRMPAY-JTQLQIEISA-N 0 0 279.355 4.860 10 0 CJAERN CCOc1ccc(NCc2c(C)cc(C)cc2C)cc1 ZINC000021031672 171292037 /nfs/dbraw/zinc/29/20/37/171292037.db2.gz NSZYOLTUFWJCLO-UHFFFAOYSA-N 0 0 269.388 4.623 10 0 CJAERN CCc1ccccc1N[C@@H]1CCCc2ccccc21 ZINC000021031830 171291882 /nfs/dbraw/zinc/29/18/82/171291882.db2.gz LULUIBQOHVBNFF-GOSISDBHSA-N 0 0 251.373 4.739 10 0 CJAERN CCc1ccccc1N[C@H]1CCCc2ccccc21 ZINC000021031836 171291847 /nfs/dbraw/zinc/29/18/47/171291847.db2.gz LULUIBQOHVBNFF-SFHVURJKSA-N 0 0 251.373 4.739 10 0 CJAERN CSCCCNc1ccc(Cl)cc1C(F)(F)F ZINC000021032492 171291954 /nfs/dbraw/zinc/29/19/54/171291954.db2.gz NXPPDCVXERPQLW-UHFFFAOYSA-N 0 0 283.746 4.524 10 0 CJAERN CC(C)c1ccc(NCc2c(F)cccc2F)cc1 ZINC000021032577 171291931 /nfs/dbraw/zinc/29/19/31/171291931.db2.gz GVNWYFCJLPEJTE-UHFFFAOYSA-N 0 0 261.315 4.700 10 0 CJAERN Cc1ccc(CNc2ccc(C(C)(C)C)cc2)s1 ZINC000021032597 171292130 /nfs/dbraw/zinc/29/21/30/171292130.db2.gz RHARAGWPCIQOPK-UHFFFAOYSA-N 0 0 259.418 4.966 10 0 CJAERN CCc1ccc(COc2cccc(Br)c2)s1 ZINC000021032625 171291987 /nfs/dbraw/zinc/29/19/87/171291987.db2.gz BYMAATNFHTXYQY-UHFFFAOYSA-N 0 0 297.217 4.652 10 0 CJAERN Cc1cc(Br)ccc1NC1CCCCC1 ZINC000021032725 171291947 /nfs/dbraw/zinc/29/19/47/171291947.db2.gz LSIKMFYZALFHBY-UHFFFAOYSA-N 0 0 268.198 4.502 10 0 CJAERN CCC1CCC(Nc2ccccc2Br)CC1 ZINC000021033074 171292020 /nfs/dbraw/zinc/29/20/20/171292020.db2.gz QPCRAQGMCJVQDD-UHFFFAOYSA-N 0 0 282.225 4.830 10 0 CJAERN Fc1ccc(CNc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000021033614 171292046 /nfs/dbraw/zinc/29/20/46/171292046.db2.gz PYLKDDNLLUKOHT-UHFFFAOYSA-N 0 0 287.231 4.596 10 0 CJAERN CCCC(CCC)Nc1ccccc1Br ZINC000021033654 171292112 /nfs/dbraw/zinc/29/21/12/171292112.db2.gz NQBRHXOERNCDLD-UHFFFAOYSA-N 0 0 270.214 4.830 10 0 CJAERN CC(C)c1ccccc1N[C@@H](C)CCc1ccc(O)cc1 ZINC000021033758 171292223 /nfs/dbraw/zinc/29/22/23/171292223.db2.gz DIXVGJKSUGXAFC-HNNXBMFYSA-N 0 0 283.415 4.949 10 0 CJAERN CC(C)c1ccccc1N[C@H](C)CCc1ccc(O)cc1 ZINC000021033764 171292356 /nfs/dbraw/zinc/29/23/56/171292356.db2.gz DIXVGJKSUGXAFC-OAHLLOKOSA-N 0 0 283.415 4.949 10 0 CJAERN CCC[C@@H](Nc1cccc(OC)c1)c1ccccc1 ZINC000021035294 171292304 /nfs/dbraw/zinc/29/23/04/171292304.db2.gz APFNRJFKWFPECC-QGZVFWFLSA-N 0 0 255.361 4.649 10 0 CJAERN CCC[C@H](Nc1cccc(OC)c1)c1ccccc1 ZINC000021035301 171292352 /nfs/dbraw/zinc/29/23/52/171292352.db2.gz APFNRJFKWFPECC-KRWDZBQOSA-N 0 0 255.361 4.649 10 0 CJAERN CC[C@@H]1CCCC[C@@H]1Oc1cccc(Cl)c1C=O ZINC000021035612 171292475 /nfs/dbraw/zinc/29/24/75/171292475.db2.gz HFQGLKCOYWITMO-RISCZKNCSA-N 0 0 266.768 4.500 10 0 CJAERN CC[C@H]1CCCC[C@@H]1Oc1cccc(Cl)c1C=O ZINC000021035619 171292229 /nfs/dbraw/zinc/29/22/29/171292229.db2.gz HFQGLKCOYWITMO-FZMZJTMJSA-N 0 0 266.768 4.500 10 0 CJAERN CC[C@@H]1CCCC[C@H]1Oc1cccc(Cl)c1C=O ZINC000021035625 171292514 /nfs/dbraw/zinc/29/25/14/171292514.db2.gz HFQGLKCOYWITMO-BXUZGUMPSA-N 0 0 266.768 4.500 10 0 CJAERN CC[C@H]1CCCC[C@H]1Oc1cccc(Cl)c1C=O ZINC000021035632 171292453 /nfs/dbraw/zinc/29/24/53/171292453.db2.gz HFQGLKCOYWITMO-SMDDNHRTSA-N 0 0 266.768 4.500 10 0 CJAERN Cc1ccc(N[C@@H]2CCCc3ccccc32)cc1F ZINC000021035827 171292525 /nfs/dbraw/zinc/29/25/25/171292525.db2.gz IACGTKUPDCCPOG-QGZVFWFLSA-N 0 0 255.336 4.624 10 0 CJAERN Cc1ccc(N[C@H]2CCCc3ccccc32)cc1F ZINC000021035834 171292483 /nfs/dbraw/zinc/29/24/83/171292483.db2.gz IACGTKUPDCCPOG-KRWDZBQOSA-N 0 0 255.336 4.624 10 0 CJAERN c1ccc2c(c1)OCC[C@H]2Nc1cccc2c1CCCC2 ZINC000021035953 171292213 /nfs/dbraw/zinc/29/22/13/171292213.db2.gz ARAYMDBDKFWDMG-GOSISDBHSA-N 0 0 279.383 4.501 10 0 CJAERN c1ccc2c(c1)OCC[C@@H]2Nc1cccc2c1CCCC2 ZINC000021035960 171292392 /nfs/dbraw/zinc/29/23/92/171292392.db2.gz ARAYMDBDKFWDMG-SFHVURJKSA-N 0 0 279.383 4.501 10 0 CJAERN CCCCCc1ccc(NCCCSC)cc1 ZINC000021036043 171292370 /nfs/dbraw/zinc/29/23/70/171292370.db2.gz PHJYWLPJSQHKBE-UHFFFAOYSA-N 0 0 251.439 4.584 10 0 CJAERN Nc1cc(F)ccc1Oc1cccc(Cl)c1Cl ZINC000021036103 171292399 /nfs/dbraw/zinc/29/23/99/171292399.db2.gz WNIGXSJLDVVCPE-UHFFFAOYSA-N 0 0 272.106 4.507 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2cccc(Cl)c2Cl)C1 ZINC000021036249 171292476 /nfs/dbraw/zinc/29/24/76/171292476.db2.gz OTTILNAJFVZVIZ-NXEZZACHSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@H]1CCC[C@@H](Nc2cccc(Cl)c2Cl)C1 ZINC000021036256 171292361 /nfs/dbraw/zinc/29/23/61/171292361.db2.gz OTTILNAJFVZVIZ-VHSXEESVSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2cccc(Cl)c2Cl)C1 ZINC000021036263 171292227 /nfs/dbraw/zinc/29/22/27/171292227.db2.gz OTTILNAJFVZVIZ-ZJUUUORDSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@H]1CCC[C@H](Nc2cccc(Cl)c2Cl)C1 ZINC000021036270 171292499 /nfs/dbraw/zinc/29/24/99/171292499.db2.gz OTTILNAJFVZVIZ-UWVGGRQHSA-N 0 0 258.192 4.984 10 0 CJAERN Cc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1F ZINC000021036457 171292819 /nfs/dbraw/zinc/29/28/19/171292819.db2.gz DZWARRYRDYJRER-UHFFFAOYSA-N 0 0 283.268 4.765 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccccc2Br)cc1 ZINC000021036611 171293010 /nfs/dbraw/zinc/29/30/10/171293010.db2.gz XAIZPSXTGZNWIW-GFCCVEGCSA-N 0 0 290.204 4.931 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccccc2Br)cc1 ZINC000021036617 171292802 /nfs/dbraw/zinc/29/28/02/171292802.db2.gz XAIZPSXTGZNWIW-LBPRGKRZSA-N 0 0 290.204 4.931 10 0 CJAERN CC(C)CC(CC(C)C)Nc1cc(F)ccc1F ZINC000021036919 171292914 /nfs/dbraw/zinc/29/29/14/171292914.db2.gz UTXYIUSVXQAEOA-UHFFFAOYSA-N 0 0 255.352 4.838 10 0 CJAERN Cc1cc(F)ccc1N[C@@H](C)CCc1ccccc1 ZINC000021037488 171292910 /nfs/dbraw/zinc/29/29/10/171292910.db2.gz ZYZZEDHWQXPCLU-AWEZNQCLSA-N 0 0 257.352 4.567 10 0 CJAERN Cc1cc(F)ccc1N[C@H](C)CCc1ccccc1 ZINC000021037494 171292775 /nfs/dbraw/zinc/29/27/75/171292775.db2.gz ZYZZEDHWQXPCLU-CQSZACIVSA-N 0 0 257.352 4.567 10 0 CJAERN CC(=O)c1ccc(Oc2cccc3ccccc32)c(F)c1 ZINC000021038384 171292847 /nfs/dbraw/zinc/29/28/47/171292847.db2.gz MCYSTMGLUWXCKD-UHFFFAOYSA-N 0 0 280.298 4.974 10 0 CJAERN CCOc1ccccc1N[C@@H](C)c1ccc(C)cc1C ZINC000021038441 171293048 /nfs/dbraw/zinc/29/30/48/171293048.db2.gz VOTIYPUMXUKHQQ-HNNXBMFYSA-N 0 0 269.388 4.875 10 0 CJAERN CCOc1ccccc1N[C@H](C)c1ccc(C)cc1C ZINC000021038447 171292614 /nfs/dbraw/zinc/29/26/14/171292614.db2.gz VOTIYPUMXUKHQQ-OAHLLOKOSA-N 0 0 269.388 4.875 10 0 CJAERN Nc1cc(Cl)ccc1-c1nc2cc(Cl)ccc2s1 ZINC000021039111 171292771 /nfs/dbraw/zinc/29/27/71/171292771.db2.gz PMPFHFZDLZEPHT-UHFFFAOYSA-N 0 0 295.194 4.852 10 0 CJAERN CC(=O)c1cc(F)ccc1Oc1ccc2ccccc2c1 ZINC000021039536 171293209 /nfs/dbraw/zinc/29/32/09/171293209.db2.gz CVERELTVUHHUEG-UHFFFAOYSA-N 0 0 280.298 4.974 10 0 CJAERN CCc1ccc(CNc2ccc(C(C)C)cc2)cc1 ZINC000021039697 171293519 /nfs/dbraw/zinc/29/35/19/171293519.db2.gz BSIOLNLRLUSXMN-UHFFFAOYSA-N 0 0 253.389 4.985 10 0 CJAERN Clc1cccc(NCc2cccs2)c1Cl ZINC000021039723 171293238 /nfs/dbraw/zinc/29/32/38/171293238.db2.gz MYAKEKIJIMTIJU-UHFFFAOYSA-N 0 0 258.173 4.667 10 0 CJAERN C[C@@H](NCC(F)(F)F)c1ccc(-c2ccccc2)cc1 ZINC000021040059 171293340 /nfs/dbraw/zinc/29/33/40/171293340.db2.gz PVDNEZPJOSAMDB-GFCCVEGCSA-N 0 0 279.305 4.567 10 0 CJAERN C[C@H](NCC(F)(F)F)c1ccc(-c2ccccc2)cc1 ZINC000021040066 171293417 /nfs/dbraw/zinc/29/34/17/171293417.db2.gz PVDNEZPJOSAMDB-LBPRGKRZSA-N 0 0 279.305 4.567 10 0 CJAERN Cc1ccc(Cl)cc1NCc1c(F)cccc1F ZINC000021040502 171293386 /nfs/dbraw/zinc/29/33/86/171293386.db2.gz FLXSWBRNHRRWKT-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Fc1ccc(NCc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000021040857 171293235 /nfs/dbraw/zinc/29/32/35/171293235.db2.gz GNCHMJRTGGJHPC-UHFFFAOYSA-N 0 0 287.231 4.596 10 0 CJAERN Cc1ccccc1CNc1ccccc1SC(F)F ZINC000021041182 171293538 /nfs/dbraw/zinc/29/35/38/171293538.db2.gz UFZHFDSXJBQCTG-UHFFFAOYSA-N 0 0 279.355 4.922 10 0 CJAERN CC(=O)Nc1cccc(N[C@@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC000021041274 171293435 /nfs/dbraw/zinc/29/34/35/171293435.db2.gz CZPDPVXDXWJIDK-DLBZAZTESA-N 0 0 288.435 4.662 10 0 CJAERN CC(=O)Nc1cccc(N[C@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC000021041279 171293274 /nfs/dbraw/zinc/29/32/74/171293274.db2.gz CZPDPVXDXWJIDK-IRXDYDNUSA-N 0 0 288.435 4.662 10 0 CJAERN CC(=O)Nc1cccc(N[C@@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC000021041285 171293382 /nfs/dbraw/zinc/29/33/82/171293382.db2.gz CZPDPVXDXWJIDK-IAGOWNOFSA-N 0 0 288.435 4.662 10 0 CJAERN CC(=O)Nc1cccc(N[C@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC000021041291 171293478 /nfs/dbraw/zinc/29/34/78/171293478.db2.gz CZPDPVXDXWJIDK-SJORKVTESA-N 0 0 288.435 4.662 10 0 CJAERN Cc1ccc(CNc2cc(Cl)ccc2Cl)o1 ZINC000021041549 171293508 /nfs/dbraw/zinc/29/35/08/171293508.db2.gz GBERMNFGIMUWDE-UHFFFAOYSA-N 0 0 256.132 4.507 10 0 CJAERN Clc1cc(Cl)cc(NC[C@H]2CC=CCC2)c1 ZINC000021043251 171293814 /nfs/dbraw/zinc/29/38/14/171293814.db2.gz YNRHLXDEAUAPAS-JTQLQIEISA-N 0 0 256.176 4.762 10 0 CJAERN Clc1cc(Cl)cc(NC[C@@H]2CC=CCC2)c1 ZINC000021043255 171293895 /nfs/dbraw/zinc/29/38/95/171293895.db2.gz YNRHLXDEAUAPAS-SNVBAGLBSA-N 0 0 256.176 4.762 10 0 CJAERN Fc1ccc(NCc2ccc3ccccc3c2)cc1F ZINC000021043772 171293944 /nfs/dbraw/zinc/29/39/44/171293944.db2.gz ZVYNCUJOYNOAEN-UHFFFAOYSA-N 0 0 269.294 4.730 10 0 CJAERN C[C@@H](Nc1cccc(Cl)c1Cl)c1ccco1 ZINC000021043873 171293593 /nfs/dbraw/zinc/29/35/93/171293593.db2.gz HAWQSWJZBDCXNE-MRVPVSSYSA-N 0 0 256.132 4.760 10 0 CJAERN C[C@H](Nc1cccc(Cl)c1Cl)c1ccco1 ZINC000021043879 171293761 /nfs/dbraw/zinc/29/37/61/171293761.db2.gz HAWQSWJZBDCXNE-QMMMGPOBSA-N 0 0 256.132 4.760 10 0 CJAERN COc1ccccc1NC1CCC(C(C)(C)C)CC1 ZINC000021043926 171293684 /nfs/dbraw/zinc/29/36/84/171293684.db2.gz ZVNLEKXSDYNHIM-UHFFFAOYSA-N 0 0 261.409 4.712 10 0 CJAERN Cc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1 ZINC000021044350 171294265 /nfs/dbraw/zinc/29/42/65/171294265.db2.gz QIFOTHRQEGUEAS-UHFFFAOYSA-N 0 0 265.278 4.626 10 0 CJAERN CSCCCNc1ccccc1-c1ccccc1 ZINC000021044389 171294178 /nfs/dbraw/zinc/29/41/78/171294178.db2.gz LCQBYURFTMUQQJ-UHFFFAOYSA-N 0 0 257.402 4.519 10 0 CJAERN CC[C@@H](Nc1cccc2ncccc21)c1ccccc1 ZINC000021044508 171294241 /nfs/dbraw/zinc/29/42/41/171294241.db2.gz ZRZCSECAKAOORL-MRXNPFEDSA-N 0 0 262.356 4.798 10 0 CJAERN CC[C@H](Nc1cccc2ncccc21)c1ccccc1 ZINC000021044513 171293999 /nfs/dbraw/zinc/29/39/99/171293999.db2.gz ZRZCSECAKAOORL-INIZCTEOSA-N 0 0 262.356 4.798 10 0 CJAERN CCC1CCC(Nc2cccc3c2CCCC3)CC1 ZINC000021044529 171294162 /nfs/dbraw/zinc/29/41/62/171294162.db2.gz FWUZECUEKAVCPA-UHFFFAOYSA-N 0 0 257.421 4.946 10 0 CJAERN COc1cc(Cl)c(C)cc1N[C@@H](C)c1ccccc1F ZINC000021044549 171294252 /nfs/dbraw/zinc/29/42/52/171294252.db2.gz UIBZVBJIRNSBKS-NSHDSACASA-N 0 0 293.769 4.969 10 0 CJAERN COc1cc(Cl)c(C)cc1N[C@H](C)c1ccccc1F ZINC000021044555 171294218 /nfs/dbraw/zinc/29/42/18/171294218.db2.gz UIBZVBJIRNSBKS-LLVKDONJSA-N 0 0 293.769 4.969 10 0 CJAERN COc1ccc(C)cc1[C@@H](C)Nc1ccc(Cl)cc1 ZINC000021044823 171294254 /nfs/dbraw/zinc/29/42/54/171294254.db2.gz RTVJVPLUQHJXRM-GFCCVEGCSA-N 0 0 275.779 4.830 10 0 CJAERN COc1ccc(C)cc1[C@H](C)Nc1ccc(Cl)cc1 ZINC000021044829 171294012 /nfs/dbraw/zinc/29/40/12/171294012.db2.gz RTVJVPLUQHJXRM-LBPRGKRZSA-N 0 0 275.779 4.830 10 0 CJAERN CCc1ccccc1NCc1ccc(Cl)s1 ZINC000021045099 171294213 /nfs/dbraw/zinc/29/42/13/171294213.db2.gz ZGSRYUPPKKQQJD-UHFFFAOYSA-N 0 0 251.782 4.576 10 0 CJAERN Cc1ccc(CNc2ccccc2C(F)(F)F)s1 ZINC000021045743 171294101 /nfs/dbraw/zinc/29/41/01/171294101.db2.gz SXPQTKZDPITCSW-UHFFFAOYSA-N 0 0 271.307 4.687 10 0 CJAERN CCCC1CCC(Nc2ccc(OCC)cc2)CC1 ZINC000021045877 171293996 /nfs/dbraw/zinc/29/39/96/171293996.db2.gz VGVOOMOGBRQOMV-UHFFFAOYSA-N 0 0 261.409 4.856 10 0 CJAERN COc1ccc(N[C@@H](C)c2ccc(Cl)cc2Cl)cn1 ZINC000021045938 171294110 /nfs/dbraw/zinc/29/41/10/171294110.db2.gz PGBVJRNXFGVGMS-VIFPVBQESA-N 0 0 297.185 4.570 10 0 CJAERN COc1ccc(N[C@H](C)c2ccc(Cl)cc2Cl)cn1 ZINC000021045941 171294029 /nfs/dbraw/zinc/29/40/29/171294029.db2.gz PGBVJRNXFGVGMS-SECBINFHSA-N 0 0 297.185 4.570 10 0 CJAERN CCOc1ccccc1N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021046673 171294475 /nfs/dbraw/zinc/29/44/75/171294475.db2.gz ZBBXNXVTEAUCLC-ZMSDIMECSA-N 0 0 275.436 4.958 10 0 CJAERN CCOc1ccccc1N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021046678 171294604 /nfs/dbraw/zinc/29/46/04/171294604.db2.gz ZBBXNXVTEAUCLC-UXLLHSPISA-N 0 0 275.436 4.958 10 0 CJAERN CCOc1ccccc1N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000021046683 171294498 /nfs/dbraw/zinc/29/44/98/171294498.db2.gz ZBBXNXVTEAUCLC-BFYDXBDKSA-N 0 0 275.436 4.958 10 0 CJAERN CCOc1ccccc1N[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000021046688 171294568 /nfs/dbraw/zinc/29/45/68/171294568.db2.gz ZBBXNXVTEAUCLC-INMHGKMJSA-N 0 0 275.436 4.958 10 0 CJAERN Cc1ccc(-c2nc(Cl)c3ccccc3n2)c(C)c1 ZINC000021046879 171294564 /nfs/dbraw/zinc/29/45/64/171294564.db2.gz NGIIJIRBIRQFFA-UHFFFAOYSA-N 0 0 268.747 4.567 10 0 CJAERN Cc1cc([C@@H](C)Nc2cc(F)ccc2C)c(C)s1 ZINC000021046888 171294619 /nfs/dbraw/zinc/29/46/19/171294619.db2.gz ZMJFGBMZGUNTJH-LLVKDONJSA-N 0 0 263.381 4.986 10 0 CJAERN Cc1cc([C@H](C)Nc2cc(F)ccc2C)c(C)s1 ZINC000021046892 171294536 /nfs/dbraw/zinc/29/45/36/171294536.db2.gz ZMJFGBMZGUNTJH-NSHDSACASA-N 0 0 263.381 4.986 10 0 CJAERN CC(C)c1cccc(N[C@@H](C)c2cccc(O)c2)c1 ZINC000021047003 171294417 /nfs/dbraw/zinc/29/44/17/171294417.db2.gz VXUFBEMRFJQOND-ZDUSSCGKSA-N 0 0 255.361 4.689 10 0 CJAERN CC(C)c1cccc(N[C@H](C)c2cccc(O)c2)c1 ZINC000021047008 171294411 /nfs/dbraw/zinc/29/44/11/171294411.db2.gz VXUFBEMRFJQOND-CYBMUJFWSA-N 0 0 255.361 4.689 10 0 CJAERN Cc1ccc(Cl)cc1NCc1cccc(Cl)c1 ZINC000021047694 171294524 /nfs/dbraw/zinc/29/45/24/171294524.db2.gz MIYKCNOCZOZPQP-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN CC[C@@H](C)c1ccccc1Oc1ccccc1C=O ZINC000021047827 171294620 /nfs/dbraw/zinc/29/46/20/171294620.db2.gz AQDQDTVYTDGWIA-CYBMUJFWSA-N 0 0 254.329 4.805 10 0 CJAERN CC[C@H](C)c1ccccc1Oc1ccccc1C=O ZINC000021047832 171294452 /nfs/dbraw/zinc/29/44/52/171294452.db2.gz AQDQDTVYTDGWIA-ZDUSSCGKSA-N 0 0 254.329 4.805 10 0 CJAERN Nc1ccccc1Sc1cc(Cl)ccc1Cl ZINC000021047922 171294550 /nfs/dbraw/zinc/29/45/50/171294550.db2.gz CWMRNZOCFQJMQA-UHFFFAOYSA-N 0 0 270.184 4.727 10 0 CJAERN COc1ccccc1N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000021048179 171294510 /nfs/dbraw/zinc/29/45/10/171294510.db2.gz WESQUXSDCFQSDL-IWUURBKTSA-N 0 0 285.431 4.712 10 0 CJAERN COc1ccccc1N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000021048186 171294623 /nfs/dbraw/zinc/29/46/23/171294623.db2.gz WESQUXSDCFQSDL-PGBRGIIUSA-N 0 0 285.431 4.712 10 0 CJAERN CC[C@@H]1CCCC[C@@H]1Oc1ccc(C(F)(F)F)cc1N ZINC000021048376 171294367 /nfs/dbraw/zinc/29/43/67/171294367.db2.gz FOJCXCYVXXEUMV-MFKMUULPSA-N 0 0 287.325 4.635 10 0 CJAERN CC[C@H]1CCCC[C@@H]1Oc1ccc(C(F)(F)F)cc1N ZINC000021048381 171294497 /nfs/dbraw/zinc/29/44/97/171294497.db2.gz FOJCXCYVXXEUMV-GWCFXTLKSA-N 0 0 287.325 4.635 10 0 CJAERN CC[C@@H]1CCCC[C@H]1Oc1ccc(C(F)(F)F)cc1N ZINC000021048384 171294414 /nfs/dbraw/zinc/29/44/14/171294414.db2.gz FOJCXCYVXXEUMV-ZWNOBZJWSA-N 0 0 287.325 4.635 10 0 CJAERN CC[C@H]1CCCC[C@H]1Oc1ccc(C(F)(F)F)cc1N ZINC000021048390 171294573 /nfs/dbraw/zinc/29/45/73/171294573.db2.gz FOJCXCYVXXEUMV-GXFFZTMASA-N 0 0 287.325 4.635 10 0 CJAERN CCC(C)(C)c1ccc(OCc2cccc(N)c2)cc1 ZINC000021049228 171294872 /nfs/dbraw/zinc/29/48/72/171294872.db2.gz KZMVRWZWXHFGCK-UHFFFAOYSA-N 0 0 269.388 4.535 10 0 CJAERN C[C@@H]1CCC[C@@H](C)C1Nc1cccc(Br)c1 ZINC000021049530 171294811 /nfs/dbraw/zinc/29/48/11/171294811.db2.gz LLGUCFCRCOGNQR-GHMZBOCLSA-N 0 0 282.225 4.686 10 0 CJAERN C[C@@H]1CCC[C@H](C)C1Nc1cccc(Br)c1 ZINC000021049536 171294825 /nfs/dbraw/zinc/29/48/25/171294825.db2.gz LLGUCFCRCOGNQR-BVUQATHDSA-N 0 0 282.225 4.686 10 0 CJAERN C[C@H]1CCC[C@H](C)C1Nc1cccc(Br)c1 ZINC000021049547 171294874 /nfs/dbraw/zinc/29/48/74/171294874.db2.gz LLGUCFCRCOGNQR-QWRGUYRKSA-N 0 0 282.225 4.686 10 0 CJAERN Cc1ccc(Sc2ccc(N)cc2Cl)c(C)c1 ZINC000021049614 171295010 /nfs/dbraw/zinc/29/50/10/171295010.db2.gz SMXPNVFDJDAEME-UHFFFAOYSA-N 0 0 263.793 4.690 10 0 CJAERN CCCC(CCC)Nc1cc(OCC)ccc1OCC ZINC000021049747 171294865 /nfs/dbraw/zinc/29/48/65/171294865.db2.gz MLKIQLJMTCXVBR-UHFFFAOYSA-N 0 0 279.424 4.865 10 0 CJAERN CCCCC[C@@H](C)Nc1ccc(OC)c(Cl)c1 ZINC000021049762 171295018 /nfs/dbraw/zinc/29/50/18/171295018.db2.gz HCDCJFMXGGGAGK-LLVKDONJSA-N 0 0 255.789 4.729 10 0 CJAERN CCCCC[C@H](C)Nc1ccc(OC)c(Cl)c1 ZINC000021049766 171294740 /nfs/dbraw/zinc/29/47/40/171294740.db2.gz HCDCJFMXGGGAGK-NSHDSACASA-N 0 0 255.789 4.729 10 0 CJAERN CCCC(CCC)Nc1ccc(Br)cc1 ZINC000021050463 171294949 /nfs/dbraw/zinc/29/49/49/171294949.db2.gz VAUXGXBXWWRFSZ-UHFFFAOYSA-N 0 0 270.214 4.830 10 0 CJAERN C[C@@H](Nc1cc(Cl)ccc1Cl)c1ccc(O)cc1 ZINC000021050651 171294839 /nfs/dbraw/zinc/29/48/39/171294839.db2.gz KBKLWWHTHVDIDA-SECBINFHSA-N 0 0 282.170 4.872 10 0 CJAERN C[C@H](Nc1cc(Cl)ccc1Cl)c1ccc(O)cc1 ZINC000021050657 171294817 /nfs/dbraw/zinc/29/48/17/171294817.db2.gz KBKLWWHTHVDIDA-VIFPVBQESA-N 0 0 282.170 4.872 10 0 CJAERN Fc1cccc(F)c1CNc1cc(Cl)cc(Cl)c1 ZINC000021051147 171294963 /nfs/dbraw/zinc/29/49/63/171294963.db2.gz UZXVMBFPPPSASE-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Fc1cccc(F)c1CNc1ccccc1C(F)(F)F ZINC000021051343 171295285 /nfs/dbraw/zinc/29/52/85/171295285.db2.gz QNVBGHGGDGFYHS-UHFFFAOYSA-N 0 0 287.231 4.596 10 0 CJAERN CC(=O)c1ccccc1Sc1ccc(C)c(C)c1 ZINC000021051350 171295157 /nfs/dbraw/zinc/29/51/57/171295157.db2.gz XPYWINOOENIVFA-UHFFFAOYSA-N 0 0 256.370 4.657 10 0 CJAERN COc1cccc([C@@H](C)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000021051917 171295053 /nfs/dbraw/zinc/29/50/53/171295053.db2.gz LECLOUBJMOEEMD-LLVKDONJSA-N 0 0 295.304 4.887 10 0 CJAERN COc1cccc([C@H](C)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000021051924 171295165 /nfs/dbraw/zinc/29/51/65/171295165.db2.gz LECLOUBJMOEEMD-NSHDSACASA-N 0 0 295.304 4.887 10 0 CJAERN C[C@@H](Nc1cccc(Cl)c1)c1cc(F)ccc1F ZINC000021052827 171295086 /nfs/dbraw/zinc/29/50/86/171295086.db2.gz IFFRCDBBGFBPQW-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1cccc(Cl)c1)c1cc(F)ccc1F ZINC000021052833 171295275 /nfs/dbraw/zinc/29/52/75/171295275.db2.gz IFFRCDBBGFBPQW-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN FC(F)(F)Oc1ccc(NC2CCCCCC2)cc1 ZINC000021054112 171295422 /nfs/dbraw/zinc/29/54/22/171295422.db2.gz WYISDIDJONAEAD-UHFFFAOYSA-N 0 0 273.298 4.720 10 0 CJAERN CC(C)CCNc1cc(C(F)(F)F)ccc1Cl ZINC000021054163 171295549 /nfs/dbraw/zinc/29/55/49/171295549.db2.gz AVWQKXMGBPLQHZ-UHFFFAOYSA-N 0 0 265.706 4.817 10 0 CJAERN CCOc1ccccc1N[C@@H](CC)c1ccccc1 ZINC000021054427 171295636 /nfs/dbraw/zinc/29/56/36/171295636.db2.gz NRYGIUDLGHBWAP-HNNXBMFYSA-N 0 0 255.361 4.649 10 0 CJAERN CCOc1ccccc1N[C@H](CC)c1ccccc1 ZINC000021054432 171295609 /nfs/dbraw/zinc/29/56/09/171295609.db2.gz NRYGIUDLGHBWAP-OAHLLOKOSA-N 0 0 255.361 4.649 10 0 CJAERN Cc1cc(C)cc(NCc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000021054557 171295436 /nfs/dbraw/zinc/29/54/36/171295436.db2.gz DJHYHVRRCDSZMD-CJNGLKHVSA-N 0 0 255.361 4.632 10 0 CJAERN Cc1cc(C)cc(NCc2ccc([C@H]3C[C@@H]3C)o2)c1 ZINC000021054562 171295490 /nfs/dbraw/zinc/29/54/90/171295490.db2.gz DJHYHVRRCDSZMD-BBRMVZONSA-N 0 0 255.361 4.632 10 0 CJAERN Cc1cc(C)cc(NCc2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000021054568 171295685 /nfs/dbraw/zinc/29/56/85/171295685.db2.gz DJHYHVRRCDSZMD-CZUORRHYSA-N 0 0 255.361 4.632 10 0 CJAERN Cc1cc(C)cc(NCc2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000021054573 171295680 /nfs/dbraw/zinc/29/56/80/171295680.db2.gz DJHYHVRRCDSZMD-XJKSGUPXSA-N 0 0 255.361 4.632 10 0 CJAERN Cc1ccc(NCc2c(C)cc(C)cc2C)c(C)c1 ZINC000021055074 171295630 /nfs/dbraw/zinc/29/56/30/171295630.db2.gz KTKJFZMYRBQFPE-UHFFFAOYSA-N 0 0 253.389 4.841 10 0 CJAERN CC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000021055090 171295583 /nfs/dbraw/zinc/29/55/83/171295583.db2.gz GIPGPOXIVRDBAB-UHFFFAOYSA-N 0 0 268.356 4.979 10 0 CJAERN Cc1cc(Cl)ccc1Oc1ccc(N)cc1Cl ZINC000021055569 171295511 /nfs/dbraw/zinc/29/55/11/171295511.db2.gz GJLQQNPSRDVNAF-UHFFFAOYSA-N 0 0 268.143 4.676 10 0 CJAERN Cc1ccsc1CNc1ccc(C(F)(F)F)cc1 ZINC000021055579 171295635 /nfs/dbraw/zinc/29/56/35/171295635.db2.gz LIWDEQPLHPOXAS-UHFFFAOYSA-N 0 0 271.307 4.687 10 0 CJAERN Cc1ccc([C@@H](C)Nc2cc(F)ccc2F)cc1C ZINC000021055661 171295627 /nfs/dbraw/zinc/29/56/27/171295627.db2.gz KTPDZLDYCQUPPF-GFCCVEGCSA-N 0 0 261.315 4.755 10 0 CJAERN Cc1ccc([C@H](C)Nc2cc(F)ccc2F)cc1C ZINC000021055665 171295619 /nfs/dbraw/zinc/29/56/19/171295619.db2.gz KTPDZLDYCQUPPF-LBPRGKRZSA-N 0 0 261.315 4.755 10 0 CJAERN Cc1ccc(N[C@H](C)c2cccc(F)c2)cc1Cl ZINC000021056308 171295942 /nfs/dbraw/zinc/29/59/42/171295942.db2.gz ATSXNMFOZBUUKK-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(N[C@@H](C)c2cccc(F)c2)cc1Cl ZINC000021056313 171295920 /nfs/dbraw/zinc/29/59/20/171295920.db2.gz ATSXNMFOZBUUKK-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(Cl)cc1NC[C@H](C)c1ccccc1 ZINC000021056598 171295938 /nfs/dbraw/zinc/29/59/38/171295938.db2.gz FRQNEQZCEYDVRW-ZDUSSCGKSA-N 0 0 259.780 4.864 10 0 CJAERN Cc1ccc(Cl)cc1NC[C@@H](C)c1ccccc1 ZINC000021056602 171295968 /nfs/dbraw/zinc/29/59/68/171295968.db2.gz FRQNEQZCEYDVRW-CYBMUJFWSA-N 0 0 259.780 4.864 10 0 CJAERN Brc1ccc(OC/C=C/c2ccccc2)cc1 ZINC000021056627 171295835 /nfs/dbraw/zinc/29/58/35/171295835.db2.gz NUVUDMSLAZKYOR-QPJJXVBHSA-N 0 0 289.172 4.541 10 0 CJAERN Cc1ccc(C(C)C)c(Oc2ccccc2C=O)c1 ZINC000021056804 171296020 /nfs/dbraw/zinc/29/60/20/171296020.db2.gz RCLDKNZMZAJNEW-UHFFFAOYSA-N 0 0 254.329 4.723 10 0 CJAERN Cc1cc(F)ccc1NCc1cccc2ccccc21 ZINC000021056828 171296047 /nfs/dbraw/zinc/29/60/47/171296047.db2.gz YYCFJZJKTMAPHP-UHFFFAOYSA-N 0 0 265.331 4.899 10 0 CJAERN CCC[C@@H](Nc1cc(C)ccc1OC)c1ccccc1 ZINC000021056865 171295876 /nfs/dbraw/zinc/29/58/76/171295876.db2.gz BYPYOCZFFVPNSV-MRXNPFEDSA-N 0 0 269.388 4.957 10 0 CJAERN CCC[C@H](Nc1cc(C)ccc1OC)c1ccccc1 ZINC000021056869 171295886 /nfs/dbraw/zinc/29/58/86/171295886.db2.gz BYPYOCZFFVPNSV-INIZCTEOSA-N 0 0 269.388 4.957 10 0 CJAERN CCCOc1ccc([C@@H](C)Nc2cc(F)ccc2F)cc1 ZINC000021056914 171296012 /nfs/dbraw/zinc/29/60/12/171296012.db2.gz OXTFXHJNKJBRIA-GFCCVEGCSA-N 0 0 291.341 4.927 10 0 CJAERN CCCOc1ccc([C@H](C)Nc2cc(F)ccc2F)cc1 ZINC000021056919 171295841 /nfs/dbraw/zinc/29/58/41/171295841.db2.gz OXTFXHJNKJBRIA-LBPRGKRZSA-N 0 0 291.341 4.927 10 0 CJAERN c1ccc(CCCNc2cccc3ccccc32)cc1 ZINC000021057023 171295914 /nfs/dbraw/zinc/29/59/14/171295914.db2.gz YGBZWJYNDOVMIS-UHFFFAOYSA-N 0 0 261.368 4.885 10 0 CJAERN Cc1cc(F)ccc1NCc1ccc(C(F)(F)F)cc1 ZINC000021057117 171295972 /nfs/dbraw/zinc/29/59/72/171295972.db2.gz OIFGIKWQRWLRHA-UHFFFAOYSA-N 0 0 283.268 4.765 10 0 CJAERN CCC[C@@H](Nc1ccc(OC)cc1)c1ccccc1 ZINC000021058156 171296558 /nfs/dbraw/zinc/29/65/58/171296558.db2.gz RCOFUPIMOOKEEZ-QGZVFWFLSA-N 0 0 255.361 4.649 10 0 CJAERN CCC[C@H](Nc1ccc(OC)cc1)c1ccccc1 ZINC000021058159 171296393 /nfs/dbraw/zinc/29/63/93/171296393.db2.gz RCOFUPIMOOKEEZ-KRWDZBQOSA-N 0 0 255.361 4.649 10 0 CJAERN Cc1ccc(CNc2cccc(Cl)c2Cl)s1 ZINC000021058535 171296548 /nfs/dbraw/zinc/29/65/48/171296548.db2.gz IAVDSJBFDMIZRK-UHFFFAOYSA-N 0 0 272.200 4.975 10 0 CJAERN CC(=O)c1ccccc1Oc1ccccc1C(C)C ZINC000021058576 171296171 /nfs/dbraw/zinc/29/61/71/171296171.db2.gz FCSSZTMKPGVBIZ-UHFFFAOYSA-N 0 0 254.329 4.805 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2ccccc2OC(F)(F)F)C1 ZINC000021058595 171296359 /nfs/dbraw/zinc/29/63/59/171296359.db2.gz DFAYCFNXZGBPRB-GHMZBOCLSA-N 0 0 273.298 4.576 10 0 CJAERN C[C@H]1CCC[C@@H](Nc2ccccc2OC(F)(F)F)C1 ZINC000021058599 171296299 /nfs/dbraw/zinc/29/62/99/171296299.db2.gz DFAYCFNXZGBPRB-WDEREUQCSA-N 0 0 273.298 4.576 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2ccccc2OC(F)(F)F)C1 ZINC000021058602 171296365 /nfs/dbraw/zinc/29/63/65/171296365.db2.gz DFAYCFNXZGBPRB-MNOVXSKESA-N 0 0 273.298 4.576 10 0 CJAERN C[C@H]1CCC[C@H](Nc2ccccc2OC(F)(F)F)C1 ZINC000021058606 171296329 /nfs/dbraw/zinc/29/63/29/171296329.db2.gz DFAYCFNXZGBPRB-QWRGUYRKSA-N 0 0 273.298 4.576 10 0 CJAERN COc1ccc2cc(CNc3ccccc3F)ccc2c1 ZINC000021058640 171296535 /nfs/dbraw/zinc/29/65/35/171296535.db2.gz QNLOHGCJDKZHOZ-UHFFFAOYSA-N 0 0 281.330 4.600 10 0 CJAERN CC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000021058769 171296350 /nfs/dbraw/zinc/29/63/50/171296350.db2.gz NGNKMSCPIODNNJ-UHFFFAOYSA-N 0 0 281.138 4.988 10 0 CJAERN Clc1cc(Cl)c(NCc2ccco2)cc1Cl ZINC000021058836 171296516 /nfs/dbraw/zinc/29/65/16/171296516.db2.gz SQDMVEUYJJHOLG-UHFFFAOYSA-N 0 0 276.550 4.852 10 0 CJAERN Cc1cc(C)c([C@@H](C)Nc2ccc(F)cc2)c(C)c1 ZINC000021058847 171296199 /nfs/dbraw/zinc/29/61/99/171296199.db2.gz FJCISLAELMGPLK-CQSZACIVSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1cc(C)c([C@H](C)Nc2ccc(F)cc2)c(C)c1 ZINC000021058852 171296233 /nfs/dbraw/zinc/29/62/33/171296233.db2.gz FJCISLAELMGPLK-AWEZNQCLSA-N 0 0 257.352 4.924 10 0 CJAERN COc1ccc(C)cc1[C@@H](C)Nc1ccc(F)cc1C ZINC000021058856 171296494 /nfs/dbraw/zinc/29/64/94/171296494.db2.gz ZCUDOVDQJZHOAW-CYBMUJFWSA-N 0 0 273.351 4.624 10 0 CJAERN COc1ccc(C)cc1[C@H](C)Nc1ccc(F)cc1C ZINC000021058860 171296280 /nfs/dbraw/zinc/29/62/80/171296280.db2.gz ZCUDOVDQJZHOAW-ZDUSSCGKSA-N 0 0 273.351 4.624 10 0 CJAERN CCC(CC)CNc1ccc(Br)c(C)c1 ZINC000021059020 171296449 /nfs/dbraw/zinc/29/64/49/171296449.db2.gz BZNOFMBZTMCRBG-UHFFFAOYSA-N 0 0 270.214 4.606 10 0 CJAERN COc1ccc(N[C@@H](C)c2ccc(C(C)(C)C)cc2)cn1 ZINC000021059287 171296779 /nfs/dbraw/zinc/29/67/79/171296779.db2.gz DVTWZEOTEHXECQ-ZDUSSCGKSA-N 0 0 284.403 4.561 10 0 CJAERN COc1ccc(N[C@H](C)c2ccc(C(C)(C)C)cc2)cn1 ZINC000021059290 171296972 /nfs/dbraw/zinc/29/69/72/171296972.db2.gz DVTWZEOTEHXECQ-CYBMUJFWSA-N 0 0 284.403 4.561 10 0 CJAERN CCc1ccc(CNc2ccc(SC)cc2)cc1 ZINC000021059294 171296812 /nfs/dbraw/zinc/29/68/12/171296812.db2.gz GDIIMLKXXCGVEO-UHFFFAOYSA-N 0 0 257.402 4.583 10 0 CJAERN Nc1cccc(Cl)c1Oc1ccccc1C(F)(F)F ZINC000021059388 171296949 /nfs/dbraw/zinc/29/69/49/171296949.db2.gz XRWVZDNHFMDFLH-UHFFFAOYSA-N 0 0 287.668 4.733 10 0 CJAERN COc1ccc(C)cc1NCc1c(Cl)cccc1Cl ZINC000021059479 171296970 /nfs/dbraw/zinc/29/69/70/171296970.db2.gz JDGHVYWSRFLZDQ-UHFFFAOYSA-N 0 0 296.197 4.923 10 0 CJAERN CCCCC[C@@H](C)Nc1ccc(OC(F)(F)F)cc1 ZINC000021059502 171296933 /nfs/dbraw/zinc/29/69/33/171296933.db2.gz XDCDNXBVUZRAGA-LLVKDONJSA-N 0 0 275.314 4.966 10 0 CJAERN CCCCC[C@H](C)Nc1ccc(OC(F)(F)F)cc1 ZINC000021059505 171296872 /nfs/dbraw/zinc/29/68/72/171296872.db2.gz XDCDNXBVUZRAGA-NSHDSACASA-N 0 0 275.314 4.966 10 0 CJAERN Cc1ccc(NCc2ccc(OC(F)(F)F)cc2)c(C)c1 ZINC000021059623 171296988 /nfs/dbraw/zinc/29/69/88/171296988.db2.gz REMVCKSVPCZGGU-UHFFFAOYSA-N 0 0 295.304 4.814 10 0 CJAERN Fc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1F ZINC000021059645 171296731 /nfs/dbraw/zinc/29/67/31/171296731.db2.gz DBUNLMNXTCOQGF-UHFFFAOYSA-N 0 0 287.231 4.596 10 0 CJAERN C[C@@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1Cl ZINC000021059798 171296805 /nfs/dbraw/zinc/29/68/05/171296805.db2.gz SVIVMOMIGYMADF-SKDRFNHKSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1Cl ZINC000021059802 171297008 /nfs/dbraw/zinc/29/70/08/171297008.db2.gz SVIVMOMIGYMADF-CABZTGNLSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@@H]1CCCC[C@H]1Nc1ccc(Cl)cc1Cl ZINC000021059806 171296648 /nfs/dbraw/zinc/29/66/48/171296648.db2.gz SVIVMOMIGYMADF-BXKDBHETSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@H]1CCCC[C@H]1Nc1ccc(Cl)cc1Cl ZINC000021059809 171296835 /nfs/dbraw/zinc/29/68/35/171296835.db2.gz SVIVMOMIGYMADF-JOYOIKCWSA-N 0 0 258.192 4.984 10 0 CJAERN Cc1ccc(CNc2cccc(Cl)c2Cl)o1 ZINC000021059960 171296942 /nfs/dbraw/zinc/29/69/42/171296942.db2.gz QXOPMMGMYUIBMS-UHFFFAOYSA-N 0 0 256.132 4.507 10 0 CJAERN CCC1CCC(Nc2cc(Cl)c(OC)cc2OC)CC1 ZINC000021060316 171296936 /nfs/dbraw/zinc/29/69/36/171296936.db2.gz PEXRCKSFTOTLCL-UHFFFAOYSA-N 0 0 297.826 4.738 10 0 CJAERN CC(C)c1cccc(N[C@@H]2CCc3ccccc32)c1 ZINC000021060485 171296955 /nfs/dbraw/zinc/29/69/55/171296955.db2.gz ISJQAQQZMNDDRI-GOSISDBHSA-N 0 0 251.373 4.909 10 0 CJAERN CC(C)c1cccc(N[C@H]2CCc3ccccc32)c1 ZINC000021060489 171296912 /nfs/dbraw/zinc/29/69/12/171296912.db2.gz ISJQAQQZMNDDRI-SFHVURJKSA-N 0 0 251.373 4.909 10 0 CJAERN COc1ccc([C@@H](C)Nc2ccc(C(C)C)cc2)cc1 ZINC000021060535 171297020 /nfs/dbraw/zinc/29/70/20/171297020.db2.gz FCDFFCVJSSQNJX-CQSZACIVSA-N 0 0 269.388 4.992 10 0 CJAERN COc1ccc([C@H](C)Nc2ccc(C(C)C)cc2)cc1 ZINC000021060539 171296877 /nfs/dbraw/zinc/29/68/77/171296877.db2.gz FCDFFCVJSSQNJX-AWEZNQCLSA-N 0 0 269.388 4.992 10 0 CJAERN Cc1ccc(CNc2cccc(Br)c2)c(C)c1 ZINC000021060573 171296896 /nfs/dbraw/zinc/29/68/96/171296896.db2.gz WNTQTLGTRZJTCK-UHFFFAOYSA-N 0 0 290.204 4.678 10 0 CJAERN Cc1ccc(N[C@@H](C)CCc2ccccc2)c(C)c1 ZINC000021060644 171296778 /nfs/dbraw/zinc/29/67/78/171296778.db2.gz JHNZZLPVNYCWOH-INIZCTEOSA-N 0 0 253.389 4.737 10 0 CJAERN Cc1ccc(N[C@H](C)CCc2ccccc2)c(C)c1 ZINC000021060648 171297014 /nfs/dbraw/zinc/29/70/14/171297014.db2.gz JHNZZLPVNYCWOH-MRXNPFEDSA-N 0 0 253.389 4.737 10 0 CJAERN C[C@@H](CCc1ccccc1)Nc1ccccc1Cl ZINC000021060863 171297201 /nfs/dbraw/zinc/29/72/01/171297201.db2.gz ZDXDDPJECBEPLP-ZDUSSCGKSA-N 0 0 259.780 4.773 10 0 CJAERN C[C@H](CCc1ccccc1)Nc1ccccc1Cl ZINC000021060867 171297247 /nfs/dbraw/zinc/29/72/47/171297247.db2.gz ZDXDDPJECBEPLP-CYBMUJFWSA-N 0 0 259.780 4.773 10 0 CJAERN COc1cc(Cl)c(C)cc1N[C@@H](C)c1ccc(F)cc1 ZINC000021061313 171297111 /nfs/dbraw/zinc/29/71/11/171297111.db2.gz WYKXPFWXRDQYKK-NSHDSACASA-N 0 0 293.769 4.969 10 0 CJAERN COc1cc(Cl)c(C)cc1N[C@H](C)c1ccc(F)cc1 ZINC000021061316 171297295 /nfs/dbraw/zinc/29/72/95/171297295.db2.gz WYKXPFWXRDQYKK-LLVKDONJSA-N 0 0 293.769 4.969 10 0 CJAERN C[C@@H]1CCC[C@@H](C)C1Nc1ccccc1OC(F)(F)F ZINC000021061686 171297340 /nfs/dbraw/zinc/29/73/40/171297340.db2.gz RXOUBAHRVKJKJU-GHMZBOCLSA-N 0 0 287.325 4.822 10 0 CJAERN C[C@@H]1CCC[C@H](C)C1Nc1ccccc1OC(F)(F)F ZINC000021061689 171297272 /nfs/dbraw/zinc/29/72/72/171297272.db2.gz RXOUBAHRVKJKJU-BVUQATHDSA-N 0 0 287.325 4.822 10 0 CJAERN C[C@H]1CCC[C@H](C)C1Nc1ccccc1OC(F)(F)F ZINC000021061695 171297305 /nfs/dbraw/zinc/29/73/05/171297305.db2.gz RXOUBAHRVKJKJU-QWRGUYRKSA-N 0 0 287.325 4.822 10 0 CJAERN CCCCCNc1cc(C(F)(F)F)ccc1Cl ZINC000021061725 171297303 /nfs/dbraw/zinc/29/73/03/171297303.db2.gz VMKHTYNGVFEPDI-UHFFFAOYSA-N 0 0 265.706 4.961 10 0 CJAERN CC[C@@H](C)CNc1cc(C(F)(F)F)ccc1Cl ZINC000021061732 171297226 /nfs/dbraw/zinc/29/72/26/171297226.db2.gz TUESVBFEPOAOMO-MRVPVSSYSA-N 0 0 265.706 4.817 10 0 CJAERN CC[C@H](C)CNc1cc(C(F)(F)F)ccc1Cl ZINC000021061736 171297165 /nfs/dbraw/zinc/29/71/65/171297165.db2.gz TUESVBFEPOAOMO-QMMMGPOBSA-N 0 0 265.706 4.817 10 0 CJAERN Clc1cccc(CNc2cccc3c2CCCC3)c1 ZINC000021061824 171297240 /nfs/dbraw/zinc/29/72/40/171297240.db2.gz FZVJDRGWYKSNSG-UHFFFAOYSA-N 0 0 271.791 4.831 10 0 CJAERN Clc1ccc(CNc2cccc(Cl)c2)s1 ZINC000021062092 171297364 /nfs/dbraw/zinc/29/73/64/171297364.db2.gz DJIRHEWBVSRWMG-UHFFFAOYSA-N 0 0 258.173 4.667 10 0 CJAERN COc1cccc([C@@H](C)Nc2ccc(C(C)C)cc2)c1 ZINC000021062219 171297229 /nfs/dbraw/zinc/29/72/29/171297229.db2.gz DAQJOAFWDJDSAU-CQSZACIVSA-N 0 0 269.388 4.992 10 0 CJAERN COc1cccc([C@H](C)Nc2ccc(C(C)C)cc2)c1 ZINC000021062223 171297113 /nfs/dbraw/zinc/29/71/13/171297113.db2.gz DAQJOAFWDJDSAU-AWEZNQCLSA-N 0 0 269.388 4.992 10 0 CJAERN CC(C)CC[C@@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000021062649 171297475 /nfs/dbraw/zinc/29/74/75/171297475.db2.gz JTZCJGXSVHLCFT-LLVKDONJSA-N 0 0 259.315 4.942 10 0 CJAERN CC(C)CC[C@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000021062653 171297509 /nfs/dbraw/zinc/29/75/09/171297509.db2.gz JTZCJGXSVHLCFT-NSHDSACASA-N 0 0 259.315 4.942 10 0 CJAERN COc1ccc(-c2nc3cc(Cl)ccc3o2)cc1Cl ZINC000021127581 171298161 /nfs/dbraw/zinc/29/81/61/171298161.db2.gz PPDHWBRKGSHXFW-UHFFFAOYSA-N 0 0 294.137 4.810 10 0 CJAERN COc1ccc(-c2nc(-c3ccccc3)sc2C)cc1 ZINC000021275182 171300470 /nfs/dbraw/zinc/30/04/70/171300470.db2.gz ZATLOWGOGBIRTH-UHFFFAOYSA-N 0 0 281.380 4.794 10 0 CJAERN COc1ccc(Cl)cc1N[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000021499768 171304383 /nfs/dbraw/zinc/30/43/83/171304383.db2.gz SOYFKWOLNWKTBP-DGCLKSJQSA-N 0 0 281.827 4.975 10 0 CJAERN COc1ccc(Cl)cc1N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000021499770 171304376 /nfs/dbraw/zinc/30/43/76/171304376.db2.gz SOYFKWOLNWKTBP-YPMHNXCESA-N 0 0 281.827 4.975 10 0 CJAERN COc1ccc(Cl)cc1N[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000021499772 171304375 /nfs/dbraw/zinc/30/43/75/171304375.db2.gz SOYFKWOLNWKTBP-WCQYABFASA-N 0 0 281.827 4.975 10 0 CJAERN COc1ccc(Cl)cc1N[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000021499774 171304439 /nfs/dbraw/zinc/30/44/39/171304439.db2.gz SOYFKWOLNWKTBP-AAEUAGOBSA-N 0 0 281.827 4.975 10 0 CJAERN CCC(CC)CNc1ccc(C)cc1Br ZINC000021499828 171304463 /nfs/dbraw/zinc/30/44/63/171304463.db2.gz DVUZNEFAQRCTSZ-UHFFFAOYSA-N 0 0 270.214 4.606 10 0 CJAERN Cc1ccccc1CNc1cc(Cl)ccc1Cl ZINC000021499881 171304318 /nfs/dbraw/zinc/30/43/18/171304318.db2.gz IVJWIKJZPRKEGD-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN Clc1ccccc1N[C@@H]1CCSc2ccccc21 ZINC000021499950 171304559 /nfs/dbraw/zinc/30/45/59/171304559.db2.gz LARQZIYBWPUKMR-CYBMUJFWSA-N 0 0 275.804 4.989 10 0 CJAERN Clc1ccccc1N[C@H]1CCSc2ccccc21 ZINC000021499951 171304353 /nfs/dbraw/zinc/30/43/53/171304353.db2.gz LARQZIYBWPUKMR-ZDUSSCGKSA-N 0 0 275.804 4.989 10 0 CJAERN CCCC1CCC(Nc2ccc(F)cc2F)CC1 ZINC000021500065 171305115 /nfs/dbraw/zinc/30/51/15/171305115.db2.gz XQFXJGPLFVDNGA-UHFFFAOYSA-N 0 0 253.336 4.736 10 0 CJAERN COc1ccc(N[C@@H]2CCCC[C@@H]2C(C)(C)C)c(OC)c1 ZINC000021500072 171305132 /nfs/dbraw/zinc/30/51/32/171305132.db2.gz CQGRCRDGMGVCCM-LSDHHAIUSA-N 0 0 291.435 4.721 10 0 CJAERN COc1ccc(N[C@H]2CCCC[C@@H]2C(C)(C)C)c(OC)c1 ZINC000021500073 171305168 /nfs/dbraw/zinc/30/51/68/171305168.db2.gz CQGRCRDGMGVCCM-GJZGRUSLSA-N 0 0 291.435 4.721 10 0 CJAERN COc1ccc(N[C@@H]2CCCC[C@H]2C(C)(C)C)c(OC)c1 ZINC000021500075 171304943 /nfs/dbraw/zinc/30/49/43/171304943.db2.gz CQGRCRDGMGVCCM-HUUCEWRRSA-N 0 0 291.435 4.721 10 0 CJAERN COc1ccc(N[C@H]2CCCC[C@H]2C(C)(C)C)c(OC)c1 ZINC000021500076 171304875 /nfs/dbraw/zinc/30/48/75/171304875.db2.gz CQGRCRDGMGVCCM-CABCVRRESA-N 0 0 291.435 4.721 10 0 CJAERN C[C@@H](CCc1ccccc1)Nc1ccc(F)c(F)c1F ZINC000021500135 171304921 /nfs/dbraw/zinc/30/49/21/171304921.db2.gz LUCJFYLRZLWXDM-NSHDSACASA-N 0 0 279.305 4.537 10 0 CJAERN C[C@H](CCc1ccccc1)Nc1ccc(F)c(F)c1F ZINC000021500137 171304831 /nfs/dbraw/zinc/30/48/31/171304831.db2.gz LUCJFYLRZLWXDM-LLVKDONJSA-N 0 0 279.305 4.537 10 0 CJAERN Cc1ccc(C)c(Sc2c(N)cccc2Cl)c1 ZINC000021500308 171305073 /nfs/dbraw/zinc/30/50/73/171305073.db2.gz MMTDGJNAJSBOHY-UHFFFAOYSA-N 0 0 263.793 4.690 10 0 CJAERN Fc1cc(F)cc(N[C@@H]2CCCCc3ccccc32)c1 ZINC000021500398 171304769 /nfs/dbraw/zinc/30/47/69/171304769.db2.gz DWUQZYZXDOUBBO-QGZVFWFLSA-N 0 0 273.326 4.844 10 0 CJAERN Fc1cc(F)cc(N[C@H]2CCCCc3ccccc32)c1 ZINC000021500400 171304755 /nfs/dbraw/zinc/30/47/55/171304755.db2.gz DWUQZYZXDOUBBO-KRWDZBQOSA-N 0 0 273.326 4.844 10 0 CJAERN COc1cccc(N[C@@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC000021500407 171305101 /nfs/dbraw/zinc/30/51/01/171305101.db2.gz OCPMZUNUJYMCPE-JKSUJKDBSA-N 0 0 261.409 4.712 10 0 CJAERN COc1cccc(N[C@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC000021500409 171305074 /nfs/dbraw/zinc/30/50/74/171305074.db2.gz OCPMZUNUJYMCPE-HOTGVXAUSA-N 0 0 261.409 4.712 10 0 CJAERN COc1cccc(N[C@@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC000021500410 171304929 /nfs/dbraw/zinc/30/49/29/171304929.db2.gz OCPMZUNUJYMCPE-HZPDHXFCSA-N 0 0 261.409 4.712 10 0 CJAERN COc1cccc(N[C@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC000021500412 171304853 /nfs/dbraw/zinc/30/48/53/171304853.db2.gz OCPMZUNUJYMCPE-CVEARBPZSA-N 0 0 261.409 4.712 10 0 CJAERN Cc1cc(Oc2cccc(Cl)c2C=O)ccc1Cl ZINC000021500549 171304798 /nfs/dbraw/zinc/30/47/98/171304798.db2.gz SHKYMPMJTJIGRP-UHFFFAOYSA-N 0 0 281.138 4.907 10 0 CJAERN Cc1ccccc1CNc1ccc(C(C)(C)C)cc1 ZINC000021500667 171304973 /nfs/dbraw/zinc/30/49/73/171304973.db2.gz DYCWLMWJDZDSOM-UHFFFAOYSA-N 0 0 253.389 4.905 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2cccc(OC(F)(F)F)c2)C1 ZINC000021500839 171305454 /nfs/dbraw/zinc/30/54/54/171305454.db2.gz OBDBXNDEFFFEIB-GHMZBOCLSA-N 0 0 273.298 4.576 10 0 CJAERN C[C@H]1CCC[C@@H](Nc2cccc(OC(F)(F)F)c2)C1 ZINC000021500840 171305474 /nfs/dbraw/zinc/30/54/74/171305474.db2.gz OBDBXNDEFFFEIB-WDEREUQCSA-N 0 0 273.298 4.576 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2cccc(OC(F)(F)F)c2)C1 ZINC000021500842 171305373 /nfs/dbraw/zinc/30/53/73/171305373.db2.gz OBDBXNDEFFFEIB-MNOVXSKESA-N 0 0 273.298 4.576 10 0 CJAERN C[C@H]1CCC[C@H](Nc2cccc(OC(F)(F)F)c2)C1 ZINC000021500843 171305603 /nfs/dbraw/zinc/30/56/03/171305603.db2.gz OBDBXNDEFFFEIB-QWRGUYRKSA-N 0 0 273.298 4.576 10 0 CJAERN Cc1ccc([C@@H](C)Nc2cc(F)cc(F)c2)c(C)c1 ZINC000021501008 171305565 /nfs/dbraw/zinc/30/55/65/171305565.db2.gz SSZWASOPBNDSPG-GFCCVEGCSA-N 0 0 261.315 4.755 10 0 CJAERN Cc1ccc([C@H](C)Nc2cc(F)cc(F)c2)c(C)c1 ZINC000021501010 171305558 /nfs/dbraw/zinc/30/55/58/171305558.db2.gz SSZWASOPBNDSPG-LBPRGKRZSA-N 0 0 261.315 4.755 10 0 CJAERN CCc1ccc(CNc2cccc3c2CCCC3)cc1 ZINC000021501021 171305271 /nfs/dbraw/zinc/30/52/71/171305271.db2.gz WEADXVQVUWLULM-UHFFFAOYSA-N 0 0 265.400 4.740 10 0 CJAERN Cc1cc(Cl)ccc1NCc1ccc(Cl)cc1 ZINC000021501055 171305548 /nfs/dbraw/zinc/30/55/48/171305548.db2.gz YLYLRWUYWJVSON-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN CCCC1CCC(Nc2cc(F)ccc2F)CC1 ZINC000021501070 171305522 /nfs/dbraw/zinc/30/55/22/171305522.db2.gz LWSGDROLYQSVKA-UHFFFAOYSA-N 0 0 253.336 4.736 10 0 CJAERN CC(C)CCNc1ccc(Oc2ccccc2)cc1 ZINC000021501082 171305488 /nfs/dbraw/zinc/30/54/88/171305488.db2.gz QGXOZVDMANXMSJ-UHFFFAOYSA-N 0 0 255.361 4.937 10 0 CJAERN C[C@@H](Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000021501105 171305466 /nfs/dbraw/zinc/30/54/66/171305466.db2.gz PKETWRWFORVAHK-LLVKDONJSA-N 0 0 265.278 4.879 10 0 CJAERN C[C@H](Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000021501107 171305570 /nfs/dbraw/zinc/30/55/70/171305570.db2.gz PKETWRWFORVAHK-NSHDSACASA-N 0 0 265.278 4.879 10 0 CJAERN C[C@@H]1CCCC[C@@H]1Nc1cc(Cl)cc(Cl)c1 ZINC000021501243 171305585 /nfs/dbraw/zinc/30/55/85/171305585.db2.gz KYFRVIHTINXJPI-RNCFNFMXSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@H]1CCCC[C@@H]1Nc1cc(Cl)cc(Cl)c1 ZINC000021501245 171305350 /nfs/dbraw/zinc/30/53/50/171305350.db2.gz KYFRVIHTINXJPI-ZANVPECISA-N 0 0 258.192 4.984 10 0 CJAERN C[C@@H]1CCCC[C@H]1Nc1cc(Cl)cc(Cl)c1 ZINC000021501247 171305333 /nfs/dbraw/zinc/30/53/33/171305333.db2.gz KYFRVIHTINXJPI-NOZJJQNGSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@H]1CCCC[C@H]1Nc1cc(Cl)cc(Cl)c1 ZINC000021501249 171305394 /nfs/dbraw/zinc/30/53/94/171305394.db2.gz KYFRVIHTINXJPI-TVQRCGJNSA-N 0 0 258.192 4.984 10 0 CJAERN COc1cc(Cl)c(C)cc1NCC1CCCCC1 ZINC000021501322 171305465 /nfs/dbraw/zinc/30/54/65/171305465.db2.gz CUPIJIAMBUMIMD-UHFFFAOYSA-N 0 0 267.800 4.649 10 0 CJAERN CCOc1ccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000021501394 171305551 /nfs/dbraw/zinc/30/55/51/171305551.db2.gz RHFMJGDCMHWQEF-UKRRQHHQSA-N 0 0 261.409 4.712 10 0 CJAERN CCOc1ccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000021501396 171305587 /nfs/dbraw/zinc/30/55/87/171305587.db2.gz RHFMJGDCMHWQEF-HIFRSBDPSA-N 0 0 261.409 4.712 10 0 CJAERN CCOc1ccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000021501398 171305419 /nfs/dbraw/zinc/30/54/19/171305419.db2.gz RHFMJGDCMHWQEF-DZGCQCFKSA-N 0 0 261.409 4.712 10 0 CJAERN CCOc1ccc(N[C@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000021501399 171305435 /nfs/dbraw/zinc/30/54/35/171305435.db2.gz RHFMJGDCMHWQEF-ZFWWWQNUSA-N 0 0 261.409 4.712 10 0 CJAERN COc1ccc(OC)c(N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 ZINC000021501401 171305543 /nfs/dbraw/zinc/30/55/43/171305543.db2.gz ZLNOMACQIBREFL-NUEKZKHPSA-N 0 0 291.435 4.577 10 0 CJAERN COc1ccc(OC)c(N[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 ZINC000021501402 171305564 /nfs/dbraw/zinc/30/55/64/171305564.db2.gz ZLNOMACQIBREFL-IMJJTQAJSA-N 0 0 291.435 4.577 10 0 CJAERN COc1ccc(OC)c(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 ZINC000021501404 171305398 /nfs/dbraw/zinc/30/53/98/171305398.db2.gz ZLNOMACQIBREFL-FVQBIDKESA-N 0 0 291.435 4.577 10 0 CJAERN COc1ccc(OC)c(N[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 ZINC000021501405 171305538 /nfs/dbraw/zinc/30/55/38/171305538.db2.gz ZLNOMACQIBREFL-BMFZPTHFSA-N 0 0 291.435 4.577 10 0 CJAERN COc1cccc(N[C@@H](CC(C)C)c2ccccc2)c1 ZINC000021501415 171305341 /nfs/dbraw/zinc/30/53/41/171305341.db2.gz JFTUYJUYXNBXMM-SFHVURJKSA-N 0 0 269.388 4.895 10 0 CJAERN COc1cccc(N[C@H](CC(C)C)c2ccccc2)c1 ZINC000021501417 171305311 /nfs/dbraw/zinc/30/53/11/171305311.db2.gz JFTUYJUYXNBXMM-GOSISDBHSA-N 0 0 269.388 4.895 10 0 CJAERN Cc1ccccc1NCc1cccc(Cl)c1Cl ZINC000021501531 171305590 /nfs/dbraw/zinc/30/55/90/171305590.db2.gz CCQCZKJUACBVNP-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN Clc1ccc(N[C@@H]2CCOc3ccccc32)cc1Cl ZINC000021501549 171305562 /nfs/dbraw/zinc/30/55/62/171305562.db2.gz BMZOJFGGQXUDAP-CQSZACIVSA-N 0 0 294.181 4.929 10 0 CJAERN Clc1ccc(N[C@H]2CCOc3ccccc32)cc1Cl ZINC000021501551 171305396 /nfs/dbraw/zinc/30/53/96/171305396.db2.gz BMZOJFGGQXUDAP-AWEZNQCLSA-N 0 0 294.181 4.929 10 0 CJAERN CC(=O)Nc1ccc(NC2CCC(C(C)(C)C)CC2)cc1 ZINC000021501762 171306071 /nfs/dbraw/zinc/30/60/71/171306071.db2.gz NDZIRXLRRMASSF-UHFFFAOYSA-N 0 0 288.435 4.662 10 0 CJAERN CCOc1ccc([C@@H](C)Nc2ccc3c(c2)CCC3)cc1 ZINC000021501820 171305987 /nfs/dbraw/zinc/30/59/87/171305987.db2.gz PJKGHZYAKJUWAV-CQSZACIVSA-N 0 0 281.399 4.747 10 0 CJAERN CCOc1ccc([C@H](C)Nc2ccc3c(c2)CCC3)cc1 ZINC000021501821 171305989 /nfs/dbraw/zinc/30/59/89/171305989.db2.gz PJKGHZYAKJUWAV-AWEZNQCLSA-N 0 0 281.399 4.747 10 0 CJAERN Fc1ccc(N[C@@H]2CCCCc3ccccc32)cc1F ZINC000021501916 171305645 /nfs/dbraw/zinc/30/56/45/171305645.db2.gz UEWCBMYQOSBPJX-QGZVFWFLSA-N 0 0 273.326 4.844 10 0 CJAERN Fc1ccc(N[C@H]2CCCCc3ccccc32)cc1F ZINC000021501918 171305923 /nfs/dbraw/zinc/30/59/23/171305923.db2.gz UEWCBMYQOSBPJX-KRWDZBQOSA-N 0 0 273.326 4.844 10 0 CJAERN CCOc1ccccc1[C@@H](C)Nc1cc(C)cc(C)c1 ZINC000021501994 171305646 /nfs/dbraw/zinc/30/56/46/171305646.db2.gz SLSFTBVKDZSUHA-OAHLLOKOSA-N 0 0 269.388 4.875 10 0 CJAERN CCOc1ccccc1[C@H](C)Nc1cc(C)cc(C)c1 ZINC000021501996 171305947 /nfs/dbraw/zinc/30/59/47/171305947.db2.gz SLSFTBVKDZSUHA-HNNXBMFYSA-N 0 0 269.388 4.875 10 0 CJAERN CC(C)(C)c1ccc(NCc2ccc(F)cc2F)cc1 ZINC000021502048 171305845 /nfs/dbraw/zinc/30/58/45/171305845.db2.gz IUTYVCAMHKNHJX-UHFFFAOYSA-N 0 0 275.342 4.874 10 0 CJAERN CCC[C@@H](C)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000021502169 171305726 /nfs/dbraw/zinc/30/57/26/171305726.db2.gz ITKMPBXCQXLNAM-CYBMUJFWSA-N 0 0 251.373 4.858 10 0 CJAERN CCC[C@H](C)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000021502170 171305897 /nfs/dbraw/zinc/30/58/97/171305897.db2.gz ITKMPBXCQXLNAM-ZDUSSCGKSA-N 0 0 251.373 4.858 10 0 CJAERN Cc1ccccc1CNc1cccc(Cl)c1Cl ZINC000021502260 171305953 /nfs/dbraw/zinc/30/59/53/171305953.db2.gz WQOKTPOUSYOETB-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN CCCC1CCC(Nc2ccc(F)c(F)c2)CC1 ZINC000021502303 171305895 /nfs/dbraw/zinc/30/58/95/171305895.db2.gz RBSMIMUEHAAHDE-UHFFFAOYSA-N 0 0 253.336 4.736 10 0 CJAERN CCc1ccc(NCc2ccccc2OC(F)(F)F)cc1 ZINC000021502313 171305723 /nfs/dbraw/zinc/30/57/23/171305723.db2.gz KFHYJWVNPJOVII-UHFFFAOYSA-N 0 0 295.304 4.760 10 0 CJAERN COc1ccccc1[C@@H](C)Nc1cccc(C(F)(F)F)c1 ZINC000021502391 171306464 /nfs/dbraw/zinc/30/64/64/171306464.db2.gz WYIOXTKEBWDKSL-LLVKDONJSA-N 0 0 295.304 4.887 10 0 CJAERN COc1ccccc1[C@H](C)Nc1cccc(C(F)(F)F)c1 ZINC000021502393 171306163 /nfs/dbraw/zinc/30/61/63/171306163.db2.gz WYIOXTKEBWDKSL-NSHDSACASA-N 0 0 295.304 4.887 10 0 CJAERN COc1ccc(NCc2c(C)cc(C)cc2C)cc1Cl ZINC000021502398 171306161 /nfs/dbraw/zinc/30/61/61/171306161.db2.gz JKYACNZZPZDVRT-UHFFFAOYSA-N 0 0 289.806 4.886 10 0 CJAERN Cc1cc(NCC2CCCCC2)ccc1Br ZINC000021502399 171306398 /nfs/dbraw/zinc/30/63/98/171306398.db2.gz MMBYDHUXPOJFMV-UHFFFAOYSA-N 0 0 282.225 4.750 10 0 CJAERN FC(F)(F)c1ccc(Cl)c(NC2CCCC2)c1 ZINC000021502565 171306424 /nfs/dbraw/zinc/30/64/24/171306424.db2.gz KQYGRORKJCBKEO-UHFFFAOYSA-N 0 0 263.690 4.713 10 0 CJAERN CCCC(CCC)Nc1ccc(OC(F)F)cc1 ZINC000021502591 171306142 /nfs/dbraw/zinc/30/61/42/171306142.db2.gz MMQSJHYYKNAIJO-UHFFFAOYSA-N 0 0 257.324 4.669 10 0 CJAERN Cc1ccc(CNc2ccc(Cl)cc2Cl)s1 ZINC000021502786 171306181 /nfs/dbraw/zinc/30/61/81/171306181.db2.gz LFRSLQPHCGDHFD-UHFFFAOYSA-N 0 0 272.200 4.975 10 0 CJAERN CC[C@@H](C)[C@@H](C)Nc1ccccc1SC(F)F ZINC000021502792 171306545 /nfs/dbraw/zinc/30/65/45/171306545.db2.gz QHQHAFXCCFRXKS-NXEZZACHSA-N 0 0 259.365 4.848 10 0 CJAERN CC[C@H](C)[C@@H](C)Nc1ccccc1SC(F)F ZINC000021502794 171306528 /nfs/dbraw/zinc/30/65/28/171306528.db2.gz QHQHAFXCCFRXKS-VHSXEESVSA-N 0 0 259.365 4.848 10 0 CJAERN CC[C@@H](C)[C@H](C)Nc1ccccc1SC(F)F ZINC000021502796 171306325 /nfs/dbraw/zinc/30/63/25/171306325.db2.gz QHQHAFXCCFRXKS-ZJUUUORDSA-N 0 0 259.365 4.848 10 0 CJAERN CC[C@H](C)[C@H](C)Nc1ccccc1SC(F)F ZINC000021502798 171306283 /nfs/dbraw/zinc/30/62/83/171306283.db2.gz QHQHAFXCCFRXKS-UWVGGRQHSA-N 0 0 259.365 4.848 10 0 CJAERN Cc1cc(Br)ccc1NC1CCC(C)CC1 ZINC000021502843 171306147 /nfs/dbraw/zinc/30/61/47/171306147.db2.gz DYJFRBMSSBORHF-UHFFFAOYSA-N 0 0 282.225 4.748 10 0 CJAERN CC(=O)c1c(F)cccc1Sc1ccc(Cl)cc1 ZINC000021502901 171306240 /nfs/dbraw/zinc/30/62/40/171306240.db2.gz DWSBOQFSCNYVKI-UHFFFAOYSA-N 0 0 280.751 4.833 10 0 CJAERN Cc1ccc(OCc2ccc(Cl)nc2)c(C(C)(C)C)c1 ZINC000021502943 171306336 /nfs/dbraw/zinc/30/63/36/171306336.db2.gz YBXZDFBRNYDDGB-UHFFFAOYSA-N 0 0 289.806 4.920 10 0 CJAERN CC(=O)c1ccc(Oc2ccc(Cl)cc2C)c(F)c1 ZINC000021502983 171306269 /nfs/dbraw/zinc/30/62/69/171306269.db2.gz GYTUHDRKELPLLV-UHFFFAOYSA-N 0 0 278.710 4.782 10 0 CJAERN Cc1cccc(Oc2cccc(Cl)c2C=O)c1C ZINC000021503011 171306274 /nfs/dbraw/zinc/30/62/74/171306274.db2.gz LYRHSXROWRVFOS-UHFFFAOYSA-N 0 0 260.720 4.562 10 0 CJAERN CCCc1ccc(N[C@@H]2CCc3ccccc32)cc1 ZINC000021503167 171306236 /nfs/dbraw/zinc/30/62/36/171306236.db2.gz AQSMPDOVHGJOTE-GOSISDBHSA-N 0 0 251.373 4.739 10 0 CJAERN CCCc1ccc(N[C@H]2CCc3ccccc32)cc1 ZINC000021503169 171306191 /nfs/dbraw/zinc/30/61/91/171306191.db2.gz AQSMPDOVHGJOTE-SFHVURJKSA-N 0 0 251.373 4.739 10 0 CJAERN CC[C@@H](Nc1cccc(Cl)c1)c1ccc(OC)cc1 ZINC000021503179 171306158 /nfs/dbraw/zinc/30/61/58/171306158.db2.gz OXZJFOQDVLGKEH-MRXNPFEDSA-N 0 0 275.779 4.912 10 0 CJAERN CC[C@H](Nc1cccc(Cl)c1)c1ccc(OC)cc1 ZINC000021503181 171306425 /nfs/dbraw/zinc/30/64/25/171306425.db2.gz OXZJFOQDVLGKEH-INIZCTEOSA-N 0 0 275.779 4.912 10 0 CJAERN Cc1cc(C)c(CNc2ccc(Cl)cc2)c(C)c1 ZINC000021503264 171306396 /nfs/dbraw/zinc/30/63/96/171306396.db2.gz OCHZYXMPTXZMON-UHFFFAOYSA-N 0 0 259.780 4.877 10 0 CJAERN CC1CCC(Nc2ccccc2C(F)(F)F)CC1 ZINC000021503321 171306222 /nfs/dbraw/zinc/30/62/22/171306222.db2.gz JZVXBYZSAYHSPB-UHFFFAOYSA-N 0 0 257.299 4.696 10 0 CJAERN CC(=O)c1ccc(Oc2c(C)cc(Cl)cc2C)cc1 ZINC000021503436 171306743 /nfs/dbraw/zinc/30/67/43/171306743.db2.gz ZJJPVYPPIIYSGR-UHFFFAOYSA-N 0 0 274.747 4.952 10 0 CJAERN Cc1ccc(F)cc1N[C@@H](C)CCc1ccccc1 ZINC000021503518 171306797 /nfs/dbraw/zinc/30/67/97/171306797.db2.gz XSYQLTHNBFXNFF-AWEZNQCLSA-N 0 0 257.352 4.567 10 0 CJAERN Cc1ccc(F)cc1N[C@H](C)CCc1ccccc1 ZINC000021503520 171307098 /nfs/dbraw/zinc/30/70/98/171307098.db2.gz XSYQLTHNBFXNFF-CQSZACIVSA-N 0 0 257.352 4.567 10 0 CJAERN Clc1cc(Cl)cc(NCc2ccsc2)c1 ZINC000021503680 171307012 /nfs/dbraw/zinc/30/70/12/171307012.db2.gz ZCDUWVGMHZRZPT-UHFFFAOYSA-N 0 0 258.173 4.667 10 0 CJAERN C[C@@H]1CCC[C@@H](C)C1Nc1cccc(C(F)(F)F)c1 ZINC000021503706 171306656 /nfs/dbraw/zinc/30/66/56/171306656.db2.gz NJKHDPLHBJODBY-GHMZBOCLSA-N 0 0 271.326 4.942 10 0 CJAERN C[C@@H]1CCC[C@H](C)C1Nc1cccc(C(F)(F)F)c1 ZINC000021503708 171306989 /nfs/dbraw/zinc/30/69/89/171306989.db2.gz NJKHDPLHBJODBY-BVUQATHDSA-N 0 0 271.326 4.942 10 0 CJAERN C[C@H]1CCC[C@H](C)C1Nc1cccc(C(F)(F)F)c1 ZINC000021503710 171306798 /nfs/dbraw/zinc/30/67/98/171306798.db2.gz NJKHDPLHBJODBY-QWRGUYRKSA-N 0 0 271.326 4.942 10 0 CJAERN CCC[C@@H](Nc1cc(F)ccc1F)c1ccccc1 ZINC000021503860 171306793 /nfs/dbraw/zinc/30/67/93/171306793.db2.gz MJKKWRYJCFLIGL-OAHLLOKOSA-N 0 0 261.315 4.918 10 0 CJAERN CCC[C@H](Nc1cc(F)ccc1F)c1ccccc1 ZINC000021503862 171306690 /nfs/dbraw/zinc/30/66/90/171306690.db2.gz MJKKWRYJCFLIGL-HNNXBMFYSA-N 0 0 261.315 4.918 10 0 CJAERN Cc1ccccc1N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000021504283 171307037 /nfs/dbraw/zinc/30/70/37/171307037.db2.gz FFRASCHQNMUVOT-OAHLLOKOSA-N 0 0 269.388 4.955 10 0 CJAERN Cc1ccccc1N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000021504285 171306803 /nfs/dbraw/zinc/30/68/03/171306803.db2.gz FFRASCHQNMUVOT-HNNXBMFYSA-N 0 0 269.388 4.955 10 0 CJAERN CCCc1ccc(N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000021504375 171307205 /nfs/dbraw/zinc/30/72/05/171307205.db2.gz MAKWJHWENQCTDY-ZDUSSCGKSA-N 0 0 257.352 4.951 10 0 CJAERN CCCc1ccc(N[C@H](C)c2ccc(F)cc2)cc1 ZINC000021504377 171307233 /nfs/dbraw/zinc/30/72/33/171307233.db2.gz MAKWJHWENQCTDY-CYBMUJFWSA-N 0 0 257.352 4.951 10 0 CJAERN CC(C)Oc1ccc([C@@H](C)Nc2ccc(F)cc2)cc1 ZINC000021504450 171307305 /nfs/dbraw/zinc/30/73/05/171307305.db2.gz JCASJDHBTVTKBW-CYBMUJFWSA-N 0 0 273.351 4.786 10 0 CJAERN CC(C)Oc1ccc([C@H](C)Nc2ccc(F)cc2)cc1 ZINC000021504452 171307253 /nfs/dbraw/zinc/30/72/53/171307253.db2.gz JCASJDHBTVTKBW-ZDUSSCGKSA-N 0 0 273.351 4.786 10 0 CJAERN Cc1ccc(CNc2ccc(C(C)(C)C)cc2)cc1 ZINC000021504546 171307301 /nfs/dbraw/zinc/30/73/01/171307301.db2.gz VCROBEGKSDTANM-UHFFFAOYSA-N 0 0 253.389 4.905 10 0 CJAERN CC[C@@H](C)Nc1ccc(Cl)cc1C(F)(F)F ZINC000021504626 171307268 /nfs/dbraw/zinc/30/72/68/171307268.db2.gz YIWHWNGVSALNJF-SSDOTTSWSA-N 0 0 251.679 4.569 10 0 CJAERN CC[C@H](C)Nc1ccc(Cl)cc1C(F)(F)F ZINC000021504628 171307310 /nfs/dbraw/zinc/30/73/10/171307310.db2.gz YIWHWNGVSALNJF-ZETCQYMHSA-N 0 0 251.679 4.569 10 0 CJAERN Cc1ccc(CNc2ccc(Cl)cc2C)c(C)c1 ZINC000021505070 184536093 /nfs/dbraw/zinc/53/60/93/184536093.db2.gz YPNPZUVCPSFVFH-UHFFFAOYSA-N 0 0 259.780 4.877 10 0 CJAERN Cc1ccc([C@@H](C)Nc2cccc3cccnc32)cc1 ZINC000021505124 184536124 /nfs/dbraw/zinc/53/61/24/184536124.db2.gz YUZDYEVXKOAZKK-CQSZACIVSA-N 0 0 262.356 4.716 10 0 CJAERN CC[C@@H](C)CNc1ccccc1Oc1ccccc1 ZINC000021505203 171307385 /nfs/dbraw/zinc/30/73/85/171307385.db2.gz FZJCLJHAXPNGJH-CQSZACIVSA-N 0 0 255.361 4.937 10 0 CJAERN CC[C@H](C)CNc1ccccc1Oc1ccccc1 ZINC000021505204 171307707 /nfs/dbraw/zinc/30/77/07/171307707.db2.gz FZJCLJHAXPNGJH-AWEZNQCLSA-N 0 0 255.361 4.937 10 0 CJAERN CCc1ccc([C@@H](C)Nc2ccc(F)c(F)c2)cc1 ZINC000021505252 171307655 /nfs/dbraw/zinc/30/76/55/171307655.db2.gz WDOQJDBUCFJZEA-LLVKDONJSA-N 0 0 261.315 4.700 10 0 CJAERN CCc1ccc([C@H](C)Nc2ccc(F)c(F)c2)cc1 ZINC000021505253 171307603 /nfs/dbraw/zinc/30/76/03/171307603.db2.gz WDOQJDBUCFJZEA-NSHDSACASA-N 0 0 261.315 4.700 10 0 CJAERN Clc1ccc(N[C@@H]2CCCc3ccccc32)cc1 ZINC000021505273 171307407 /nfs/dbraw/zinc/30/74/07/171307407.db2.gz OGVALPBJEBCUEQ-MRXNPFEDSA-N 0 0 257.764 4.830 10 0 CJAERN Clc1ccc(N[C@H]2CCCc3ccccc32)cc1 ZINC000021505275 171307730 /nfs/dbraw/zinc/30/77/30/171307730.db2.gz OGVALPBJEBCUEQ-INIZCTEOSA-N 0 0 257.764 4.830 10 0 CJAERN FC(F)(F)Oc1cccc(NC2CCCCCC2)c1 ZINC000021505383 171307762 /nfs/dbraw/zinc/30/77/62/171307762.db2.gz HCIXMUVBENUTHT-UHFFFAOYSA-N 0 0 273.298 4.720 10 0 CJAERN COc1ccc(C)cc1NCc1ccc(Cl)c(Cl)c1 ZINC000021505384 171307593 /nfs/dbraw/zinc/30/75/93/171307593.db2.gz IQLZSXOAJWAPIG-UHFFFAOYSA-N 0 0 296.197 4.923 10 0 CJAERN Cc1ccsc1CNc1ccc(Cl)cc1C ZINC000021505398 171307415 /nfs/dbraw/zinc/30/74/15/171307415.db2.gz HWVQYYBFNKIJRK-UHFFFAOYSA-N 0 0 251.782 4.630 10 0 CJAERN CCc1ccccc1NCc1ccc(C(F)(F)F)cc1 ZINC000021505553 171307765 /nfs/dbraw/zinc/30/77/65/171307765.db2.gz UFXSVMYOIWUESW-UHFFFAOYSA-N 0 0 279.305 4.880 10 0 CJAERN Cc1cc(Br)ccc1NC[C@H]1CC=CCC1 ZINC000021505597 171307535 /nfs/dbraw/zinc/30/75/35/171307535.db2.gz POTPKYAKLDBZOK-LBPRGKRZSA-N 0 0 280.209 4.526 10 0 CJAERN Cc1cc(Br)ccc1NC[C@@H]1CC=CCC1 ZINC000021505599 171307740 /nfs/dbraw/zinc/30/77/40/171307740.db2.gz POTPKYAKLDBZOK-GFCCVEGCSA-N 0 0 280.209 4.526 10 0 CJAERN Cc1ccc(Sc2ccc(C(F)(F)F)cc2N)cc1 ZINC000021505672 171307538 /nfs/dbraw/zinc/30/75/38/171307538.db2.gz GOLYYQMFAXVAEQ-UHFFFAOYSA-N 0 0 283.318 4.747 10 0 CJAERN Cc1ccc([C@@H](C)Nc2cccc(Cl)c2)s1 ZINC000021505731 171307742 /nfs/dbraw/zinc/30/77/42/171307742.db2.gz UYDKJSDMRWKMPY-SNVBAGLBSA-N 0 0 251.782 4.883 10 0 CJAERN Cc1ccc([C@H](C)Nc2cccc(Cl)c2)s1 ZINC000021505733 171307605 /nfs/dbraw/zinc/30/76/05/171307605.db2.gz UYDKJSDMRWKMPY-JTQLQIEISA-N 0 0 251.782 4.883 10 0 CJAERN FC(F)(F)c1ccccc1NCCCc1ccccc1 ZINC000021505741 171307695 /nfs/dbraw/zinc/30/76/95/171307695.db2.gz ZOGTXAGEZJRKLY-UHFFFAOYSA-N 0 0 279.305 4.750 10 0 CJAERN Cc1cccc(NCc2ccccc2OC(F)(F)F)c1C ZINC000021505873 171307752 /nfs/dbraw/zinc/30/77/52/171307752.db2.gz CGFFWQCLSQSAQC-UHFFFAOYSA-N 0 0 295.304 4.814 10 0 CJAERN Cc1ccc(N[C@@H]2CCSc3ccccc32)cc1F ZINC000021506019 171308094 /nfs/dbraw/zinc/30/80/94/171308094.db2.gz MILXVOAGLIZBKA-OAHLLOKOSA-N 0 0 273.376 4.783 10 0 CJAERN Cc1ccc(N[C@H]2CCSc3ccccc32)cc1F ZINC000021506020 171307876 /nfs/dbraw/zinc/30/78/76/171307876.db2.gz MILXVOAGLIZBKA-HNNXBMFYSA-N 0 0 273.376 4.783 10 0 CJAERN CCc1ccc(COc2ccc(Br)cc2)s1 ZINC000021506145 171307936 /nfs/dbraw/zinc/30/79/36/171307936.db2.gz BEFSWRHEEDWCTE-UHFFFAOYSA-N 0 0 297.217 4.652 10 0 CJAERN Cc1ccc(N[C@H](C)c2ccc(OC(C)C)cc2)cc1 ZINC000021506363 171307953 /nfs/dbraw/zinc/30/79/53/171307953.db2.gz JXAHNJPSQVXNFH-OAHLLOKOSA-N 0 0 269.388 4.955 10 0 CJAERN Cc1ccc(N[C@@H](C)c2ccc(OC(C)C)cc2)cc1 ZINC000021506364 171308148 /nfs/dbraw/zinc/30/81/48/171308148.db2.gz JXAHNJPSQVXNFH-HNNXBMFYSA-N 0 0 269.388 4.955 10 0 CJAERN FC(F)(F)Oc1ccccc1NC1CCCCCC1 ZINC000021506402 171307974 /nfs/dbraw/zinc/30/79/74/171307974.db2.gz FQBRKMPUUBDJCG-UHFFFAOYSA-N 0 0 273.298 4.720 10 0 CJAERN FC(F)(F)c1ccc(NCCCc2ccccc2)cc1 ZINC000021506420 171308089 /nfs/dbraw/zinc/30/80/89/171308089.db2.gz KGSLLEOCCZUKAL-UHFFFAOYSA-N 0 0 279.305 4.750 10 0 CJAERN Fc1ccccc1N[C@@H]1CCCCc2ccccc21 ZINC000021506437 171308230 /nfs/dbraw/zinc/30/82/30/171308230.db2.gz NCOBXDXALJJZAS-MRXNPFEDSA-N 0 0 255.336 4.705 10 0 CJAERN Fc1ccccc1N[C@H]1CCCCc2ccccc21 ZINC000021506439 171307935 /nfs/dbraw/zinc/30/79/35/171307935.db2.gz NCOBXDXALJJZAS-INIZCTEOSA-N 0 0 255.336 4.705 10 0 CJAERN Cc1ccc(CNc2ccccc2C(F)(F)F)c(C)c1 ZINC000021506519 171308170 /nfs/dbraw/zinc/30/81/70/171308170.db2.gz XXVJGQSKTLSPNA-UHFFFAOYSA-N 0 0 279.305 4.934 10 0 CJAERN CSc1ccc(NCc2ccc(C)cc2C)cc1 ZINC000021506795 171307972 /nfs/dbraw/zinc/30/79/72/171307972.db2.gz ZGKYMFAWCPBXDN-UHFFFAOYSA-N 0 0 257.402 4.637 10 0 CJAERN Cc1ccc(C)c(Oc2cccc(Cl)c2C=O)c1 ZINC000021507117 171308475 /nfs/dbraw/zinc/30/84/75/171308475.db2.gz WUPBCBJZJDJDFE-UHFFFAOYSA-N 0 0 260.720 4.562 10 0 CJAERN CCCOc1ccc([C@@H](C)Nc2ccc(F)cc2F)cc1 ZINC000021507171 171308506 /nfs/dbraw/zinc/30/85/06/171308506.db2.gz NBCHIFJBNKYUSF-GFCCVEGCSA-N 0 0 291.341 4.927 10 0 CJAERN CCCOc1ccc([C@H](C)Nc2ccc(F)cc2F)cc1 ZINC000021507173 171308488 /nfs/dbraw/zinc/30/84/88/171308488.db2.gz NBCHIFJBNKYUSF-LBPRGKRZSA-N 0 0 291.341 4.927 10 0 CJAERN C[C@@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1Cl ZINC000021507376 184536153 /nfs/dbraw/zinc/53/61/53/184536153.db2.gz BYWZGGXYXNKBPC-SKDRFNHKSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@@H]1CCCC[C@H]1Nc1cc(Cl)ccc1Cl ZINC000021507380 184536129 /nfs/dbraw/zinc/53/61/29/184536129.db2.gz BYWZGGXYXNKBPC-BXKDBHETSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@H]1CCCC[C@H]1Nc1cc(Cl)ccc1Cl ZINC000021507381 184536188 /nfs/dbraw/zinc/53/61/88/184536188.db2.gz BYWZGGXYXNKBPC-JOYOIKCWSA-N 0 0 258.192 4.984 10 0 CJAERN Fc1ccc(NCc2cccc(Cl)c2Cl)cc1 ZINC000021507440 184536029 /nfs/dbraw/zinc/53/60/29/184536029.db2.gz AGSABLGRWWOCGM-UHFFFAOYSA-N 0 0 270.134 4.745 10 0 CJAERN COc1ccccc1N[C@H](CC(C)C)c1ccccc1 ZINC000021507510 184536081 /nfs/dbraw/zinc/53/60/81/184536081.db2.gz BXLFRCOSORZGCP-QGZVFWFLSA-N 0 0 269.388 4.895 10 0 CJAERN Cc1ccc(C)c([C@@H](C)Nc2ccc(F)c(F)c2F)c1 ZINC000021507632 184536172 /nfs/dbraw/zinc/53/61/72/184536172.db2.gz TWHBMESLIQSMOH-LLVKDONJSA-N 0 0 279.305 4.894 10 0 CJAERN CC(C)c1ccc([C@H](C)Nc2cccc(O)c2)cc1 ZINC000021507820 184536125 /nfs/dbraw/zinc/53/61/25/184536125.db2.gz DHCJAQGETPDCHF-ZDUSSCGKSA-N 0 0 255.361 4.689 10 0 CJAERN CCOc1ccc(NC(CC(C)C)CC(C)C)cc1 ZINC000021507903 171308970 /nfs/dbraw/zinc/30/89/70/171308970.db2.gz JYCKCQVWMUJXGM-UHFFFAOYSA-N 0 0 263.425 4.958 10 0 CJAERN CC[C@@H](Nc1cccc(Cl)c1C)c1ccc(O)cc1 ZINC000021507983 171308908 /nfs/dbraw/zinc/30/89/08/171308908.db2.gz VGBRCTQYINGBIZ-OAHLLOKOSA-N 0 0 275.779 4.917 10 0 CJAERN CC[C@H](Nc1cccc(Cl)c1C)c1ccc(O)cc1 ZINC000021507985 171308652 /nfs/dbraw/zinc/30/86/52/171308652.db2.gz VGBRCTQYINGBIZ-HNNXBMFYSA-N 0 0 275.779 4.917 10 0 CJAERN Cc1ccsc1CNc1cccc2c1CCCC2 ZINC000021508024 171308973 /nfs/dbraw/zinc/30/89/73/171308973.db2.gz JAUQOABPZMCXPZ-UHFFFAOYSA-N 0 0 257.402 4.547 10 0 CJAERN CC[C@@H](Nc1cc(F)cc(F)c1)c1cccs1 ZINC000021508053 171308959 /nfs/dbraw/zinc/30/89/59/171308959.db2.gz RMEQHFYJTVTLCO-GFCCVEGCSA-N 0 0 253.317 4.590 10 0 CJAERN CC[C@H](Nc1cc(F)cc(F)c1)c1cccs1 ZINC000021508055 171308761 /nfs/dbraw/zinc/30/87/61/171308761.db2.gz RMEQHFYJTVTLCO-LBPRGKRZSA-N 0 0 253.317 4.590 10 0 CJAERN CSc1cccc(N[C@@H]2CCCc3ccccc32)c1 ZINC000021508082 171308903 /nfs/dbraw/zinc/30/89/03/171308903.db2.gz SRMBQOWVXOMFEB-QGZVFWFLSA-N 0 0 269.413 4.898 10 0 CJAERN CSc1cccc(N[C@H]2CCCc3ccccc32)c1 ZINC000021508084 171308866 /nfs/dbraw/zinc/30/88/66/171308866.db2.gz SRMBQOWVXOMFEB-KRWDZBQOSA-N 0 0 269.413 4.898 10 0 CJAERN Cc1cc([C@@H](C)Nc2ccc(F)cc2C)c(C)s1 ZINC000021508099 171308875 /nfs/dbraw/zinc/30/88/75/171308875.db2.gz UKOODHCKVKKPQA-LLVKDONJSA-N 0 0 263.381 4.986 10 0 CJAERN Cc1cc([C@H](C)Nc2ccc(F)cc2C)c(C)s1 ZINC000021508100 171308922 /nfs/dbraw/zinc/30/89/22/171308922.db2.gz UKOODHCKVKKPQA-NSHDSACASA-N 0 0 263.381 4.986 10 0 CJAERN CCc1ccc(CNc2cccc(Cl)c2C)cc1 ZINC000021508126 171308939 /nfs/dbraw/zinc/30/89/39/171308939.db2.gz RVWHWJSLUOLKKO-UHFFFAOYSA-N 0 0 259.780 4.823 10 0 CJAERN COc1ccc([C@@H](C)Nc2cccc(Cl)c2C)cc1 ZINC000021508243 171308800 /nfs/dbraw/zinc/30/88/00/171308800.db2.gz KZKNDPWBTZEBSP-GFCCVEGCSA-N 0 0 275.779 4.830 10 0 CJAERN COc1ccc([C@H](C)Nc2cccc(Cl)c2C)cc1 ZINC000021508244 171308841 /nfs/dbraw/zinc/30/88/41/171308841.db2.gz KZKNDPWBTZEBSP-LBPRGKRZSA-N 0 0 275.779 4.830 10 0 CJAERN C[C@@H](CCc1ccccc1)Nc1ccc(Cl)cc1 ZINC000021508291 171308980 /nfs/dbraw/zinc/30/89/80/171308980.db2.gz AWYCMUFFXFIOSR-ZDUSSCGKSA-N 0 0 259.780 4.773 10 0 CJAERN C[C@H](CCc1ccccc1)Nc1ccc(Cl)cc1 ZINC000021508293 171308716 /nfs/dbraw/zinc/30/87/16/171308716.db2.gz AWYCMUFFXFIOSR-CYBMUJFWSA-N 0 0 259.780 4.773 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc3c(c2)CCC3)c(C)c1 ZINC000021508428 171308834 /nfs/dbraw/zinc/30/88/34/171308834.db2.gz IGRLRDMZYOBILW-OAHLLOKOSA-N 0 0 265.400 4.965 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc3c(c2)CCC3)c(C)c1 ZINC000021508430 171308775 /nfs/dbraw/zinc/30/87/75/171308775.db2.gz IGRLRDMZYOBILW-HNNXBMFYSA-N 0 0 265.400 4.965 10 0 CJAERN CCOc1ccccc1[C@@H](C)Nc1cccc(Cl)c1 ZINC000021508571 171308753 /nfs/dbraw/zinc/30/87/53/171308753.db2.gz GMYDCQGXUNIPPA-GFCCVEGCSA-N 0 0 275.779 4.912 10 0 CJAERN CCOc1ccccc1[C@H](C)Nc1cccc(Cl)c1 ZINC000021508573 171308934 /nfs/dbraw/zinc/30/89/34/171308934.db2.gz GMYDCQGXUNIPPA-LBPRGKRZSA-N 0 0 275.779 4.912 10 0 CJAERN Fc1cccc(NCc2ccc(Cl)c(Cl)c2)c1 ZINC000021508665 171309369 /nfs/dbraw/zinc/30/93/69/171309369.db2.gz OEQGDDMXKOMIJF-UHFFFAOYSA-N 0 0 270.134 4.745 10 0 CJAERN COc1ccc2cc(CNc3cccc(C)c3)ccc2c1 ZINC000021508967 171309247 /nfs/dbraw/zinc/30/92/47/171309247.db2.gz HSSJWBNAXCGBNA-UHFFFAOYSA-N 0 0 277.367 4.769 10 0 CJAERN CC(=O)c1ccccc1Oc1ccc(C(C)(C)C)cc1 ZINC000021509146 171309299 /nfs/dbraw/zinc/30/92/99/171309299.db2.gz DUMOIBJAUFAYIX-UHFFFAOYSA-N 0 0 268.356 4.979 10 0 CJAERN Fc1ccc(NCc2cccc(Cl)c2Cl)cc1F ZINC000021509373 171309261 /nfs/dbraw/zinc/30/92/61/171309261.db2.gz JZKQEKXRSOHCGL-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN CC(=O)c1c(F)cccc1Sc1ccc(C)cc1C ZINC000021509410 171309100 /nfs/dbraw/zinc/30/91/00/171309100.db2.gz MOMJZJYHGSMUEA-UHFFFAOYSA-N 0 0 274.360 4.796 10 0 CJAERN CC[C@@H](Nc1ccc(Cl)cc1)c1cccs1 ZINC000021509577 171309514 /nfs/dbraw/zinc/30/95/14/171309514.db2.gz GKQMPPFITJVIEU-GFCCVEGCSA-N 0 0 251.782 4.965 10 0 CJAERN CC[C@H](Nc1ccc(Cl)cc1)c1cccs1 ZINC000021509578 171309637 /nfs/dbraw/zinc/30/96/37/171309637.db2.gz GKQMPPFITJVIEU-LBPRGKRZSA-N 0 0 251.782 4.965 10 0 CJAERN CC(=O)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000021509662 171309552 /nfs/dbraw/zinc/30/95/52/171309552.db2.gz OXLBLKBOFVVOML-UHFFFAOYSA-N 0 0 281.138 4.988 10 0 CJAERN CC(=O)c1c(F)cccc1Oc1ccc2ccccc2c1 ZINC000021509735 171309634 /nfs/dbraw/zinc/30/96/34/171309634.db2.gz WFOOFKUAGSWJLD-UHFFFAOYSA-N 0 0 280.298 4.974 10 0 CJAERN Nc1ccc(Sc2ccc(F)cc2)cc1C(F)(F)F ZINC000021509815 171309491 /nfs/dbraw/zinc/30/94/91/171309491.db2.gz VGUSCPFHGCNXKD-UHFFFAOYSA-N 0 0 287.281 4.578 10 0 CJAERN CCCc1ccc(NCc2ccc(Cl)s2)cc1 ZINC000021510010 171309737 /nfs/dbraw/zinc/30/97/37/171309737.db2.gz GZBFAZDMCALPIN-UHFFFAOYSA-N 0 0 265.809 4.966 10 0 CJAERN CCOc1ccccc1NCc1c(C)cc(C)cc1C ZINC000021510012 171309621 /nfs/dbraw/zinc/30/96/21/171309621.db2.gz MPIBVMXJFZJPHQ-UHFFFAOYSA-N 0 0 269.388 4.623 10 0 CJAERN C[C@@H]1CCCC[C@@H]1Nc1cccc(OC(F)(F)F)c1 ZINC000021510027 171309584 /nfs/dbraw/zinc/30/95/84/171309584.db2.gz IYJVJYQKDNWWSP-MFKMUULPSA-N 0 0 273.298 4.576 10 0 CJAERN C[C@H]1CCCC[C@@H]1Nc1cccc(OC(F)(F)F)c1 ZINC000021510029 171309743 /nfs/dbraw/zinc/30/97/43/171309743.db2.gz IYJVJYQKDNWWSP-GWCFXTLKSA-N 0 0 273.298 4.576 10 0 CJAERN C[C@@H]1CCCC[C@H]1Nc1cccc(OC(F)(F)F)c1 ZINC000021510030 171309831 /nfs/dbraw/zinc/30/98/31/171309831.db2.gz IYJVJYQKDNWWSP-ZWNOBZJWSA-N 0 0 273.298 4.576 10 0 CJAERN C[C@H]1CCCC[C@H]1Nc1cccc(OC(F)(F)F)c1 ZINC000021510032 171309782 /nfs/dbraw/zinc/30/97/82/171309782.db2.gz IYJVJYQKDNWWSP-GXFFZTMASA-N 0 0 273.298 4.576 10 0 CJAERN CC(C)c1ccc(CNc2cc(F)ccc2F)cc1 ZINC000021510082 171309618 /nfs/dbraw/zinc/30/96/18/171309618.db2.gz ZSDQSBVFYCJQDE-UHFFFAOYSA-N 0 0 261.315 4.700 10 0 CJAERN CCOc1ccccc1[C@@H](C)Nc1ccc(C)cc1C ZINC000021510440 171310215 /nfs/dbraw/zinc/31/02/15/171310215.db2.gz POONBGGROBOFAA-OAHLLOKOSA-N 0 0 269.388 4.875 10 0 CJAERN CCOc1ccccc1[C@H](C)Nc1ccc(C)cc1C ZINC000021510442 171310326 /nfs/dbraw/zinc/31/03/26/171310326.db2.gz POONBGGROBOFAA-HNNXBMFYSA-N 0 0 269.388 4.875 10 0 CJAERN CCOc1ccccc1[C@@H](C)Nc1ccc(C)c(F)c1 ZINC000021510518 171310058 /nfs/dbraw/zinc/31/00/58/171310058.db2.gz RNZKDEXEXYORRF-CYBMUJFWSA-N 0 0 273.351 4.706 10 0 CJAERN CCOc1ccccc1[C@H](C)Nc1ccc(C)c(F)c1 ZINC000021510520 171310241 /nfs/dbraw/zinc/31/02/41/171310241.db2.gz RNZKDEXEXYORRF-ZDUSSCGKSA-N 0 0 273.351 4.706 10 0 CJAERN COc1ccc(NC2[C@@H](C)CCC[C@@H]2C)cc1Cl ZINC000021510529 171309981 /nfs/dbraw/zinc/30/99/81/171309981.db2.gz PGIKXOHWAWNASO-QWRGUYRKSA-N 0 0 267.800 4.585 10 0 CJAERN COc1ccc(NC2[C@H](C)CCC[C@@H]2C)cc1Cl ZINC000021510530 171310237 /nfs/dbraw/zinc/31/02/37/171310237.db2.gz PGIKXOHWAWNASO-YWXMQNBFSA-N 0 0 267.800 4.585 10 0 CJAERN COc1ccc(NC2[C@H](C)CCC[C@H]2C)cc1Cl ZINC000021510532 171310139 /nfs/dbraw/zinc/31/01/39/171310139.db2.gz PGIKXOHWAWNASO-GHMZBOCLSA-N 0 0 267.800 4.585 10 0 CJAERN Cc1cccc(CNc2ccc(Cl)cc2Cl)c1 ZINC000021510592 171310175 /nfs/dbraw/zinc/31/01/75/171310175.db2.gz ALHPZXQRPZGMAJ-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN Nc1cc(Cl)ccc1Oc1ccccc1C(F)(F)F ZINC000021510612 171310222 /nfs/dbraw/zinc/31/02/22/171310222.db2.gz YZVDJILKFGPZLX-UHFFFAOYSA-N 0 0 287.668 4.733 10 0 CJAERN CCOc1ccc([C@@H](C)Nc2cccc(Cl)c2)cc1 ZINC000021510631 171309977 /nfs/dbraw/zinc/30/99/77/171309977.db2.gz ITLGHRPKJCIDIT-GFCCVEGCSA-N 0 0 275.779 4.912 10 0 CJAERN CCOc1ccc([C@H](C)Nc2cccc(Cl)c2)cc1 ZINC000021510633 171309973 /nfs/dbraw/zinc/30/99/73/171309973.db2.gz ITLGHRPKJCIDIT-LBPRGKRZSA-N 0 0 275.779 4.912 10 0 CJAERN CC(=O)c1cc(F)ccc1O[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000021510682 171310103 /nfs/dbraw/zinc/31/01/03/171310103.db2.gz IULLRVDILPFOCV-DWQUBVKVSA-N 0 0 292.394 4.868 10 0 CJAERN CC(=O)c1cc(F)ccc1O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021510686 171310148 /nfs/dbraw/zinc/31/01/48/171310148.db2.gz IULLRVDILPFOCV-PNPHSEOMSA-N 0 0 292.394 4.868 10 0 CJAERN CCC(CC)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000021510732 171310157 /nfs/dbraw/zinc/31/01/57/171310157.db2.gz CRSHEHCAVLVZEO-UHFFFAOYSA-N 0 0 263.715 4.542 10 0 CJAERN Cc1cc(F)ccc1NCc1ccccc1OC(F)(F)F ZINC000021510858 171310315 /nfs/dbraw/zinc/31/03/15/171310315.db2.gz CFRSXZITTKNJQJ-UHFFFAOYSA-N 0 0 299.267 4.645 10 0 CJAERN CC[C@@H](Nc1cc(C)ccc1C)c1ccc(OC)cc1 ZINC000021510862 171310010 /nfs/dbraw/zinc/31/00/10/171310010.db2.gz UFBJHTRVEZJTQE-QGZVFWFLSA-N 0 0 269.388 4.875 10 0 CJAERN CC[C@H](Nc1cc(C)ccc1C)c1ccc(OC)cc1 ZINC000021510864 171310263 /nfs/dbraw/zinc/31/02/63/171310263.db2.gz UFBJHTRVEZJTQE-KRWDZBQOSA-N 0 0 269.388 4.875 10 0 CJAERN Cc1ccc([C@@H](C)Nc2cc(F)ccc2C)cc1C ZINC000021511037 171310251 /nfs/dbraw/zinc/31/02/51/171310251.db2.gz JWMGPDIWKIJSOW-CQSZACIVSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1ccc([C@H](C)Nc2cc(F)ccc2C)cc1C ZINC000021511038 171310152 /nfs/dbraw/zinc/31/01/52/171310152.db2.gz JWMGPDIWKIJSOW-AWEZNQCLSA-N 0 0 257.352 4.924 10 0 CJAERN COc1ccc(N[C@@H]2CCCCc3ccccc32)cc1 ZINC000021511061 171310121 /nfs/dbraw/zinc/31/01/21/171310121.db2.gz PPJGFYKKAXYCOC-GOSISDBHSA-N 0 0 267.372 4.575 10 0 CJAERN COc1ccc(N[C@H]2CCCCc3ccccc32)cc1 ZINC000021511063 171310145 /nfs/dbraw/zinc/31/01/45/171310145.db2.gz PPJGFYKKAXYCOC-SFHVURJKSA-N 0 0 267.372 4.575 10 0 CJAERN CC(=O)c1c(F)cccc1Sc1ccccc1Cl ZINC000021511238 171310424 /nfs/dbraw/zinc/31/04/24/171310424.db2.gz RXQQMDMIMKLFSI-UHFFFAOYSA-N 0 0 280.751 4.833 10 0 CJAERN Cc1ccc(CNc2cc(Cl)ccc2Cl)cc1 ZINC000021511296 171310624 /nfs/dbraw/zinc/31/06/24/171310624.db2.gz RSZSJJQSHICOCC-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN Cc1ccccc1N[C@H](C)c1cccc(OC(F)F)c1 ZINC000021511523 262389861 /nfs/dbraw/zinc/38/98/61/262389861.db2.gz CJCXTAOBEBEJSA-GFCCVEGCSA-N 0 0 277.314 4.770 10 0 CJAERN Cc1ccccc1N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000021511525 262389716 /nfs/dbraw/zinc/38/97/16/262389716.db2.gz CJCXTAOBEBEJSA-LBPRGKRZSA-N 0 0 277.314 4.770 10 0 CJAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1cc(F)ccc1F ZINC000021511580 171310593 /nfs/dbraw/zinc/31/05/93/171310593.db2.gz PHZXOOPVDJVJAC-ZLDLUXBVSA-N 0 0 267.363 4.838 10 0 CJAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1cc(F)ccc1F ZINC000021511582 171310558 /nfs/dbraw/zinc/31/05/58/171310558.db2.gz PHZXOOPVDJVJAC-WHOFXGATSA-N 0 0 267.363 4.838 10 0 CJAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1cc(F)ccc1F ZINC000021511584 171310502 /nfs/dbraw/zinc/31/05/02/171310502.db2.gz PHZXOOPVDJVJAC-KYOSRNDESA-N 0 0 267.363 4.838 10 0 CJAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1cc(F)ccc1F ZINC000021511586 171310522 /nfs/dbraw/zinc/31/05/22/171310522.db2.gz PHZXOOPVDJVJAC-LNSITVRQSA-N 0 0 267.363 4.838 10 0 CJAERN COc1ccc(Cl)cc1N[C@@H](C)c1ccc(C)s1 ZINC000021511908 171310663 /nfs/dbraw/zinc/31/06/63/171310663.db2.gz QFXWEUVYKOHLPH-JTQLQIEISA-N 0 0 281.808 4.892 10 0 CJAERN COc1ccc(Cl)cc1N[C@H](C)c1ccc(C)s1 ZINC000021511910 171310636 /nfs/dbraw/zinc/31/06/36/171310636.db2.gz QFXWEUVYKOHLPH-SNVBAGLBSA-N 0 0 281.808 4.892 10 0 CJAERN Cc1c(Cl)cccc1NCc1ccccc1Cl ZINC000021511972 171310912 /nfs/dbraw/zinc/31/09/12/171310912.db2.gz FODSUDKLMHWRRO-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN CC[C@@H](C)c1ccccc1Oc1ccc(F)cc1N ZINC000021511995 171311053 /nfs/dbraw/zinc/31/10/53/171311053.db2.gz QMBFSULZEPGRCL-LLVKDONJSA-N 0 0 259.324 4.714 10 0 CJAERN CC[C@H](C)c1ccccc1Oc1ccc(F)cc1N ZINC000021511996 171310949 /nfs/dbraw/zinc/31/09/49/171310949.db2.gz QMBFSULZEPGRCL-NSHDSACASA-N 0 0 259.324 4.714 10 0 CJAERN Cc1ccccc1CNc1cc(Cl)cc(Cl)c1 ZINC000021512018 171311046 /nfs/dbraw/zinc/31/10/46/171311046.db2.gz PAMCWMLFLLPPHJ-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN COc1ccccc1[C@@H](C)Nc1cccc(Cl)c1C ZINC000021512026 171310812 /nfs/dbraw/zinc/31/08/12/171310812.db2.gz AOQFYKPPLXMCMJ-GFCCVEGCSA-N 0 0 275.779 4.830 10 0 CJAERN COc1ccccc1[C@H](C)Nc1cccc(Cl)c1C ZINC000021512028 171310922 /nfs/dbraw/zinc/31/09/22/171310922.db2.gz AOQFYKPPLXMCMJ-LBPRGKRZSA-N 0 0 275.779 4.830 10 0 CJAERN C[C@@H](Nc1cccc(OC(F)(F)F)c1)c1ccccc1 ZINC000021512230 171310906 /nfs/dbraw/zinc/31/09/06/171310906.db2.gz XGOQKYLVLNWCNG-LLVKDONJSA-N 0 0 281.277 4.758 10 0 CJAERN C[C@H](Nc1cccc(OC(F)(F)F)c1)c1ccccc1 ZINC000021512231 171310790 /nfs/dbraw/zinc/31/07/90/171310790.db2.gz XGOQKYLVLNWCNG-NSHDSACASA-N 0 0 281.277 4.758 10 0 CJAERN COc1cc(N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc(OC)c1 ZINC000021512319 171311107 /nfs/dbraw/zinc/31/11/07/171311107.db2.gz FENJLXMATAWCBE-MORSLUCNSA-N 0 0 291.435 4.577 10 0 CJAERN COc1cc(N[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc(OC)c1 ZINC000021512321 171311088 /nfs/dbraw/zinc/31/10/88/171311088.db2.gz FENJLXMATAWCBE-VHSSKADRSA-N 0 0 291.435 4.577 10 0 CJAERN COc1cc(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc(OC)c1 ZINC000021512323 171310800 /nfs/dbraw/zinc/31/08/00/171310800.db2.gz FENJLXMATAWCBE-FSPWUOQZSA-N 0 0 291.435 4.577 10 0 CJAERN COc1cc(N[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc(OC)c1 ZINC000021512324 171310854 /nfs/dbraw/zinc/31/08/54/171310854.db2.gz FENJLXMATAWCBE-XWIAVFTESA-N 0 0 291.435 4.577 10 0 CJAERN CCOc1ccccc1CNc1cccc(C(F)(F)F)c1 ZINC000021512374 171311062 /nfs/dbraw/zinc/31/10/62/171311062.db2.gz IEWYTRWYQKDFMH-UHFFFAOYSA-N 0 0 295.304 4.716 10 0 CJAERN CC(=O)c1ccccc1Oc1c(C)cc(Cl)cc1C ZINC000021512399 171311138 /nfs/dbraw/zinc/31/11/38/171311138.db2.gz KTROFPBGIQOHHK-UHFFFAOYSA-N 0 0 274.747 4.952 10 0 CJAERN CC(C)C[C@@H](Nc1cccc(O)c1)c1ccccc1 ZINC000021512482 171311111 /nfs/dbraw/zinc/31/11/11/171311111.db2.gz ZZVXSULDLSPSIV-QGZVFWFLSA-N 0 0 255.361 4.592 10 0 CJAERN CC(C)C[C@H](Nc1cccc(O)c1)c1ccccc1 ZINC000021512484 171310862 /nfs/dbraw/zinc/31/08/62/171310862.db2.gz ZZVXSULDLSPSIV-KRWDZBQOSA-N 0 0 255.361 4.592 10 0 CJAERN Cc1cc(C)c(CNc2ccc(F)c(F)c2)c(C)c1 ZINC000021512565 171310979 /nfs/dbraw/zinc/31/09/79/171310979.db2.gz PVYXRURGVBCAQP-UHFFFAOYSA-N 0 0 261.315 4.502 10 0 CJAERN CCc1cccc(N[C@@H](C)c2cc(C)ccc2OC)c1 ZINC000021512752 171310855 /nfs/dbraw/zinc/31/08/55/171310855.db2.gz VTKLUYFDFSYGAC-AWEZNQCLSA-N 0 0 269.388 4.739 10 0 CJAERN CCc1cccc(N[C@H](C)c2cc(C)ccc2OC)c1 ZINC000021512754 171310839 /nfs/dbraw/zinc/31/08/39/171310839.db2.gz VTKLUYFDFSYGAC-CQSZACIVSA-N 0 0 269.388 4.739 10 0 CJAERN CCc1ccccc1NCc1ccc(SC)cc1 ZINC000021512779 171310963 /nfs/dbraw/zinc/31/09/63/171310963.db2.gz NWNICDZXRCLLCB-UHFFFAOYSA-N 0 0 257.402 4.583 10 0 CJAERN Cc1ccc([C@@H](C)Nc2cccc(Br)c2)cc1 ZINC000021512795 171311010 /nfs/dbraw/zinc/31/10/10/171311010.db2.gz ZIZKMVHGOFCEGK-GFCCVEGCSA-N 0 0 290.204 4.931 10 0 CJAERN Cc1ccc([C@H](C)Nc2cccc(Br)c2)cc1 ZINC000021512797 171310764 /nfs/dbraw/zinc/31/07/64/171310764.db2.gz ZIZKMVHGOFCEGK-LBPRGKRZSA-N 0 0 290.204 4.931 10 0 CJAERN Cc1cc(F)ccc1N[C@H](C)c1ccc(Cl)cc1 ZINC000021512807 171310900 /nfs/dbraw/zinc/31/09/00/171310900.db2.gz DGYIRVMDQPWCLJ-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1cc(F)ccc1N[C@@H](C)c1ccc(Cl)cc1 ZINC000021512809 171310878 /nfs/dbraw/zinc/31/08/78/171310878.db2.gz DGYIRVMDQPWCLJ-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN Cc1cc(C)c(CNc2ccccc2Cl)c(C)c1 ZINC000021512842 171310830 /nfs/dbraw/zinc/31/08/30/171310830.db2.gz CDHAMWBMGJEJFO-UHFFFAOYSA-N 0 0 259.780 4.877 10 0 CJAERN COc1cc(OC)c(NC2CCCCCCC2)cc1Cl ZINC000021512844 171310778 /nfs/dbraw/zinc/31/07/78/171310778.db2.gz ODMMCXBFPVSWRM-UHFFFAOYSA-N 0 0 297.826 4.882 10 0 CJAERN Cc1ccc(CNc2ccc(Br)c(C)c2)cc1 ZINC000021512955 171311068 /nfs/dbraw/zinc/31/10/68/171311068.db2.gz CCDKSWGWLUIZHX-UHFFFAOYSA-N 0 0 290.204 4.678 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2cc(Cl)ccc2Cl)C1 ZINC000021513016 171311545 /nfs/dbraw/zinc/31/15/45/171311545.db2.gz VHXRBEUGUGSKOP-MWLCHTKSSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@H]1CCC[C@@H](Nc2cc(Cl)ccc2Cl)C1 ZINC000021513018 171311240 /nfs/dbraw/zinc/31/12/40/171311240.db2.gz VHXRBEUGUGSKOP-GXSJLCMTSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2cc(Cl)ccc2Cl)C1 ZINC000021513020 171311415 /nfs/dbraw/zinc/31/14/15/171311415.db2.gz VHXRBEUGUGSKOP-KOLCDFICSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@H]1CCC[C@H](Nc2cc(Cl)ccc2Cl)C1 ZINC000021513021 171311317 /nfs/dbraw/zinc/31/13/17/171311317.db2.gz VHXRBEUGUGSKOP-ONGXEEELSA-N 0 0 258.192 4.984 10 0 CJAERN c1ccc2c(c1)SCC[C@H]2Nc1ccc2c(c1)CCC2 ZINC000021513027 171311259 /nfs/dbraw/zinc/31/12/59/171311259.db2.gz RRFFXOGCCSILGP-QGZVFWFLSA-N 0 0 281.424 4.824 10 0 CJAERN c1ccc2c(c1)SCC[C@@H]2Nc1ccc2c(c1)CCC2 ZINC000021513029 171311369 /nfs/dbraw/zinc/31/13/69/171311369.db2.gz RRFFXOGCCSILGP-KRWDZBQOSA-N 0 0 281.424 4.824 10 0 CJAERN Cc1ccc(N[C@@H](C)CCc2ccc(O)cc2)cc1Cl ZINC000021513085 171311422 /nfs/dbraw/zinc/31/14/22/171311422.db2.gz WCJQQDKUABTERY-ZDUSSCGKSA-N 0 0 289.806 4.787 10 0 CJAERN Cc1ccc(N[C@H](C)CCc2ccc(O)cc2)cc1Cl ZINC000021513087 171311506 /nfs/dbraw/zinc/31/15/06/171311506.db2.gz WCJQQDKUABTERY-CYBMUJFWSA-N 0 0 289.806 4.787 10 0 CJAERN COc1cccc(N[C@@H](C)c2c(C)cc(C)cc2C)c1 ZINC000021513184 171311515 /nfs/dbraw/zinc/31/15/15/171311515.db2.gz YXGISUYSFGNZCJ-HNNXBMFYSA-N 0 0 269.388 4.794 10 0 CJAERN COc1cccc(N[C@H](C)c2c(C)cc(C)cc2C)c1 ZINC000021513186 171311274 /nfs/dbraw/zinc/31/12/74/171311274.db2.gz YXGISUYSFGNZCJ-OAHLLOKOSA-N 0 0 269.388 4.794 10 0 CJAERN Cc1cc(C)cc(-c2nc(Cl)c3ccccc3n2)c1 ZINC000021513311 171311213 /nfs/dbraw/zinc/31/12/13/171311213.db2.gz ALSQCHQAUDPYLB-UHFFFAOYSA-N 0 0 268.747 4.567 10 0 CJAERN CCc1cccc(Oc2cccc(Cl)c2C=O)c1 ZINC000021513349 171311538 /nfs/dbraw/zinc/31/15/38/171311538.db2.gz ZODBAJIKFVIIMK-UHFFFAOYSA-N 0 0 260.720 4.507 10 0 CJAERN CCc1ccc(N[C@@H]2CCCc3cc(OC)ccc32)cc1 ZINC000021513521 171311257 /nfs/dbraw/zinc/31/12/57/171311257.db2.gz LXFUDUSDWTYJAH-LJQANCHMSA-N 0 0 281.399 4.747 10 0 CJAERN CCc1ccc(N[C@H]2CCCc3cc(OC)ccc32)cc1 ZINC000021513523 171311487 /nfs/dbraw/zinc/31/14/87/171311487.db2.gz LXFUDUSDWTYJAH-IBGZPJMESA-N 0 0 281.399 4.747 10 0 CJAERN Cc1cc(C)c(CNc2ccc(C)c(F)c2)c(C)c1 ZINC000021513585 171311237 /nfs/dbraw/zinc/31/12/37/171311237.db2.gz OUTFMXCTLNLMEY-UHFFFAOYSA-N 0 0 257.352 4.671 10 0 CJAERN Fc1ccc(NCc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000021513625 171311287 /nfs/dbraw/zinc/31/12/87/171311287.db2.gz BTTMWUXPTKAVKD-UHFFFAOYSA-N 0 0 287.231 4.596 10 0 CJAERN CCOc1ccc(CNc2cccc(C(F)(F)F)c2)cc1 ZINC000021513848 171311681 /nfs/dbraw/zinc/31/16/81/171311681.db2.gz BGSJYTGOVLGYJK-UHFFFAOYSA-N 0 0 295.304 4.716 10 0 CJAERN C[C@@H](Nc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000021513861 171311624 /nfs/dbraw/zinc/31/16/24/171311624.db2.gz ASOBPFITSHIJTI-LLVKDONJSA-N 0 0 281.277 4.758 10 0 CJAERN C[C@H](Nc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000021513863 171311618 /nfs/dbraw/zinc/31/16/18/171311618.db2.gz ASOBPFITSHIJTI-NSHDSACASA-N 0 0 281.277 4.758 10 0 CJAERN CCCCc1ccc(NCc2ccc(OC)cc2)cc1 ZINC000021513951 171311627 /nfs/dbraw/zinc/31/16/27/171311627.db2.gz FXEMEWDLAAQPIZ-UHFFFAOYSA-N 0 0 269.388 4.650 10 0 CJAERN Cc1nc(N)sc1SCc1ccc(C(C)(C)C)cc1 ZINC000021513964 171311636 /nfs/dbraw/zinc/31/16/36/171311636.db2.gz DOSHXAZIDCJJJQ-UHFFFAOYSA-N 0 0 292.473 4.624 10 0 CJAERN CCC[C@@H](Nc1ccc(OC)cc1OC)c1ccccc1 ZINC000021514985 171311809 /nfs/dbraw/zinc/31/18/09/171311809.db2.gz ICJKVUMCIVENQQ-MRXNPFEDSA-N 0 0 285.387 4.657 10 0 CJAERN CCC[C@H](Nc1ccc(OC)cc1OC)c1ccccc1 ZINC000021514987 171311878 /nfs/dbraw/zinc/31/18/78/171311878.db2.gz ICJKVUMCIVENQQ-INIZCTEOSA-N 0 0 285.387 4.657 10 0 CJAERN CCc1ccc(CNc2ccccc2OC(F)(F)F)cc1 ZINC000021515070 171311928 /nfs/dbraw/zinc/31/19/28/171311928.db2.gz DKHJSPBTNQDZQF-UHFFFAOYSA-N 0 0 295.304 4.760 10 0 CJAERN COc1cc(Cl)c(C)cc1NC1[C@@H](C)CCC[C@@H]1C ZINC000021515257 171311775 /nfs/dbraw/zinc/31/17/75/171311775.db2.gz FOEXBYIFCGNSGG-QWRGUYRKSA-N 0 0 281.827 4.894 10 0 CJAERN COc1cc(Cl)c(C)cc1NC1[C@H](C)CCC[C@@H]1C ZINC000021515259 171311984 /nfs/dbraw/zinc/31/19/84/171311984.db2.gz FOEXBYIFCGNSGG-SOSAQKQKSA-N 0 0 281.827 4.894 10 0 CJAERN COc1cc(Cl)c(C)cc1NC1[C@H](C)CCC[C@H]1C ZINC000021515261 171312121 /nfs/dbraw/zinc/31/21/21/171312121.db2.gz FOEXBYIFCGNSGG-GHMZBOCLSA-N 0 0 281.827 4.894 10 0 CJAERN CC(=O)c1c(F)cccc1Oc1cccc2ccccc21 ZINC000021515354 171312128 /nfs/dbraw/zinc/31/21/28/171312128.db2.gz LXJDERXUSFNFOK-UHFFFAOYSA-N 0 0 280.298 4.974 10 0 CJAERN CCCC(CCC)Nc1cc(Cl)c(OC)cc1OC ZINC000021515616 171311866 /nfs/dbraw/zinc/31/18/66/171311866.db2.gz BCAZOOTVHXZAHF-UHFFFAOYSA-N 0 0 285.815 4.738 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc(Br)cc2)cc1 ZINC000021515662 171312573 /nfs/dbraw/zinc/31/25/73/171312573.db2.gz BFAKZNZYHRQIMD-GFCCVEGCSA-N 0 0 290.204 4.931 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc(Br)cc2)cc1 ZINC000021515664 171312332 /nfs/dbraw/zinc/31/23/32/171312332.db2.gz BFAKZNZYHRQIMD-LBPRGKRZSA-N 0 0 290.204 4.931 10 0 CJAERN Clc1ccccc1N[C@@H]1CCCc2ccccc21 ZINC000021515772 171312561 /nfs/dbraw/zinc/31/25/61/171312561.db2.gz BZJWBTPLOYTVDV-OAHLLOKOSA-N 0 0 257.764 4.830 10 0 CJAERN Clc1ccccc1N[C@H]1CCCc2ccccc21 ZINC000021515774 171312647 /nfs/dbraw/zinc/31/26/47/171312647.db2.gz BZJWBTPLOYTVDV-HNNXBMFYSA-N 0 0 257.764 4.830 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2ccccc2SC(F)F)C1 ZINC000021515784 171312589 /nfs/dbraw/zinc/31/25/89/171312589.db2.gz LELSFZRGKHWUCU-GHMZBOCLSA-N 0 0 271.376 4.992 10 0 CJAERN C[C@H]1CCC[C@@H](Nc2ccccc2SC(F)F)C1 ZINC000021515786 171312413 /nfs/dbraw/zinc/31/24/13/171312413.db2.gz LELSFZRGKHWUCU-WDEREUQCSA-N 0 0 271.376 4.992 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2ccccc2SC(F)F)C1 ZINC000021515788 171312581 /nfs/dbraw/zinc/31/25/81/171312581.db2.gz LELSFZRGKHWUCU-MNOVXSKESA-N 0 0 271.376 4.992 10 0 CJAERN C[C@H]1CCC[C@H](Nc2ccccc2SC(F)F)C1 ZINC000021515790 171312546 /nfs/dbraw/zinc/31/25/46/171312546.db2.gz LELSFZRGKHWUCU-QWRGUYRKSA-N 0 0 271.376 4.992 10 0 CJAERN C[C@@H](Nc1ccc(F)c(F)c1F)c1cccc(Cl)c1 ZINC000021516132 171312233 /nfs/dbraw/zinc/31/22/33/171312233.db2.gz YGYNYZRJOOJKSQ-MRVPVSSYSA-N 0 0 285.696 4.930 10 0 CJAERN C[C@H](Nc1ccc(F)c(F)c1F)c1cccc(Cl)c1 ZINC000021516133 171312653 /nfs/dbraw/zinc/31/26/53/171312653.db2.gz YGYNYZRJOOJKSQ-QMMMGPOBSA-N 0 0 285.696 4.930 10 0 CJAERN C[C@@H](Nc1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000021516161 171312515 /nfs/dbraw/zinc/31/25/15/171312515.db2.gz ZECJVDLQWASQBL-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000021516162 171312678 /nfs/dbraw/zinc/31/26/78/171312678.db2.gz ZECJVDLQWASQBL-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN CCc1cccc(N[C@@H]2CCSc3ccccc32)c1 ZINC000021516263 171312614 /nfs/dbraw/zinc/31/26/14/171312614.db2.gz VCCYMUHOSDCSOJ-MRXNPFEDSA-N 0 0 269.413 4.898 10 0 CJAERN CCc1cccc(N[C@H]2CCSc3ccccc32)c1 ZINC000021516264 171312625 /nfs/dbraw/zinc/31/26/25/171312625.db2.gz VCCYMUHOSDCSOJ-INIZCTEOSA-N 0 0 269.413 4.898 10 0 CJAERN Fc1ccc(CNc2cc(Cl)ccc2Cl)c(F)c1 ZINC000021516305 171313079 /nfs/dbraw/zinc/31/30/79/171313079.db2.gz QAWFNSBVLJQFHH-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN CC(C)(C)C1CCC(Nc2cc(F)ccc2F)CC1 ZINC000021516306 171312878 /nfs/dbraw/zinc/31/28/78/171312878.db2.gz OQFUDZFCENEIPI-UHFFFAOYSA-N 0 0 267.363 4.982 10 0 CJAERN CSc1ccc([C@@H](C)Nc2cc(F)ccc2F)cc1 ZINC000021516395 171312974 /nfs/dbraw/zinc/31/29/74/171312974.db2.gz OLGVXZIAVGDHSQ-SNVBAGLBSA-N 0 0 279.355 4.860 10 0 CJAERN CSc1ccc([C@H](C)Nc2cc(F)ccc2F)cc1 ZINC000021516396 171312850 /nfs/dbraw/zinc/31/28/50/171312850.db2.gz OLGVXZIAVGDHSQ-JTQLQIEISA-N 0 0 279.355 4.860 10 0 CJAERN CCOc1ccc([C@@H](C)Nc2ccc(F)cc2C)cc1 ZINC000021516421 171313038 /nfs/dbraw/zinc/31/30/38/171313038.db2.gz LHRKEOVRYUIUCI-CYBMUJFWSA-N 0 0 273.351 4.706 10 0 CJAERN CCOc1ccc([C@H](C)Nc2ccc(F)cc2C)cc1 ZINC000021516422 171312856 /nfs/dbraw/zinc/31/28/56/171312856.db2.gz LHRKEOVRYUIUCI-ZDUSSCGKSA-N 0 0 273.351 4.706 10 0 CJAERN COc1cc(NC2CCCCCCC2)c(OC)cc1Cl ZINC000021516478 171312742 /nfs/dbraw/zinc/31/27/42/171312742.db2.gz RRHJBDBHXSBSSY-UHFFFAOYSA-N 0 0 297.826 4.882 10 0 CJAERN CCOc1ccc(OCC)c(NC2[C@@H](C)CCC[C@@H]2C)c1 ZINC000021516512 171312728 /nfs/dbraw/zinc/31/27/28/171312728.db2.gz BLGAEQKKULYYAM-KBPBESRZSA-N 0 0 291.435 4.721 10 0 CJAERN CCOc1ccc(OCC)c(NC2[C@H](C)CCC[C@@H]2C)c1 ZINC000021516513 171313034 /nfs/dbraw/zinc/31/30/34/171313034.db2.gz BLGAEQKKULYYAM-UUVAVEHKSA-N 0 0 291.435 4.721 10 0 CJAERN CCOc1ccc(OCC)c(NC2[C@H](C)CCC[C@H]2C)c1 ZINC000021516514 171312738 /nfs/dbraw/zinc/31/27/38/171312738.db2.gz BLGAEQKKULYYAM-ZIAGYGMSSA-N 0 0 291.435 4.721 10 0 CJAERN CC(C)(C)c1ccc(CNc2cccc(F)c2)cc1 ZINC000021516547 171312861 /nfs/dbraw/zinc/31/28/61/171312861.db2.gz PRBNKBXIEXBXJH-UHFFFAOYSA-N 0 0 257.352 4.735 10 0 CJAERN COc1ccc(C)cc1[C@@H](C)Nc1ccccc1Cl ZINC000021516554 171312754 /nfs/dbraw/zinc/31/27/54/171312754.db2.gz VHASOONZDKHHRY-GFCCVEGCSA-N 0 0 275.779 4.830 10 0 CJAERN COc1ccc(C)cc1[C@H](C)Nc1ccccc1Cl ZINC000021516555 171312931 /nfs/dbraw/zinc/31/29/31/171312931.db2.gz VHASOONZDKHHRY-LBPRGKRZSA-N 0 0 275.779 4.830 10 0 CJAERN CC[C@@H](Nc1cccc2c1CCCC2)c1ccc(O)cc1 ZINC000021516612 171312763 /nfs/dbraw/zinc/31/27/63/171312763.db2.gz YXNRPVDHPVXQDI-GOSISDBHSA-N 0 0 281.399 4.834 10 0 CJAERN CC[C@H](Nc1cccc2c1CCCC2)c1ccc(O)cc1 ZINC000021516613 171312798 /nfs/dbraw/zinc/31/27/98/171312798.db2.gz YXNRPVDHPVXQDI-SFHVURJKSA-N 0 0 281.399 4.834 10 0 CJAERN CC(=O)c1ccc(Sc2ccc(C)c(C)c2)c(F)c1 ZINC000021516667 171312863 /nfs/dbraw/zinc/31/28/63/171312863.db2.gz UGRALNPJJKRJDL-UHFFFAOYSA-N 0 0 274.360 4.796 10 0 CJAERN Nc1ccccc1Oc1ccc(Oc2ccccc2)cc1 ZINC000021516682 171312891 /nfs/dbraw/zinc/31/28/91/171312891.db2.gz VKFRECDXZSYDEC-UHFFFAOYSA-N 0 0 277.323 4.853 10 0 CJAERN Fc1ccc(NCc2cccc3ccccc32)c(F)c1 ZINC000021516696 171312785 /nfs/dbraw/zinc/31/27/85/171312785.db2.gz CTVPGJAARPNQIO-UHFFFAOYSA-N 0 0 269.294 4.730 10 0 CJAERN CC(C)CCNc1ccccc1Cc1ccccc1 ZINC000021516788 171313144 /nfs/dbraw/zinc/31/31/44/171313144.db2.gz ILRASUHCNFKPGM-UHFFFAOYSA-N 0 0 253.389 4.735 10 0 CJAERN CCOc1ccccc1N[C@@H](CC)c1ccc(C)cc1 ZINC000021516820 171313352 /nfs/dbraw/zinc/31/33/52/171313352.db2.gz BQGNARWMCAAMJP-INIZCTEOSA-N 0 0 269.388 4.957 10 0 CJAERN CCOc1ccccc1N[C@H](CC)c1ccc(C)cc1 ZINC000021516821 171313455 /nfs/dbraw/zinc/31/34/55/171313455.db2.gz BQGNARWMCAAMJP-MRXNPFEDSA-N 0 0 269.388 4.957 10 0 CJAERN CC(C)[C@@H](C)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000021516883 171313266 /nfs/dbraw/zinc/31/32/66/171313266.db2.gz RGQLVGUPLZBFQV-CYBMUJFWSA-N 0 0 251.373 4.714 10 0 CJAERN CC(C)[C@H](C)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000021516884 171313187 /nfs/dbraw/zinc/31/31/87/171313187.db2.gz RGQLVGUPLZBFQV-ZDUSSCGKSA-N 0 0 251.373 4.714 10 0 CJAERN COc1cc(NC2[C@@H](C)CCC[C@@H]2C)c(OC)cc1Cl ZINC000021517015 171313180 /nfs/dbraw/zinc/31/31/80/171313180.db2.gz YJPUZFOOUDGBEG-QWRGUYRKSA-N 0 0 297.826 4.594 10 0 CJAERN COc1cc(NC2[C@H](C)CCC[C@@H]2C)c(OC)cc1Cl ZINC000021517016 171313363 /nfs/dbraw/zinc/31/33/63/171313363.db2.gz YJPUZFOOUDGBEG-SOSAQKQKSA-N 0 0 297.826 4.594 10 0 CJAERN COc1cc(NC2[C@H](C)CCC[C@H]2C)c(OC)cc1Cl ZINC000021517017 171313253 /nfs/dbraw/zinc/31/32/53/171313253.db2.gz YJPUZFOOUDGBEG-GHMZBOCLSA-N 0 0 297.826 4.594 10 0 CJAERN Fc1ccc(NCc2ccc(Cl)cc2Cl)c(F)c1 ZINC000021517033 171313466 /nfs/dbraw/zinc/31/34/66/171313466.db2.gz UBHZZGLAUGDQFO-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN CC(C)c1cccc(NCc2ccc(F)c(F)c2)c1 ZINC000021517034 171313482 /nfs/dbraw/zinc/31/34/82/171313482.db2.gz KDRTZGZHAQHBHY-UHFFFAOYSA-N 0 0 261.315 4.700 10 0 CJAERN COc1ccc([C@@H](C)Nc2cc(Cl)ccc2C)cc1F ZINC000021517127 171313332 /nfs/dbraw/zinc/31/33/32/171313332.db2.gz JBTPIAIKKBSRGM-LLVKDONJSA-N 0 0 293.769 4.969 10 0 CJAERN COc1ccc([C@H](C)Nc2cc(Cl)ccc2C)cc1F ZINC000021517128 171313255 /nfs/dbraw/zinc/31/32/55/171313255.db2.gz JBTPIAIKKBSRGM-NSHDSACASA-N 0 0 293.769 4.969 10 0 CJAERN CC(C)(C)c1ccc(CNc2cc(F)cc(F)c2)cc1 ZINC000021517187 171313638 /nfs/dbraw/zinc/31/36/38/171313638.db2.gz HZBYUHLIRJRVSG-UHFFFAOYSA-N 0 0 275.342 4.874 10 0 CJAERN Cc1ccc(N[C@H](C)c2ccc(F)cc2)cc1Cl ZINC000021517224 171313683 /nfs/dbraw/zinc/31/36/83/171313683.db2.gz YVXRLNIHZGSDRG-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(N[C@@H](C)c2ccc(F)cc2)cc1Cl ZINC000021517225 171313767 /nfs/dbraw/zinc/31/37/67/171313767.db2.gz YVXRLNIHZGSDRG-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN CCCCCNc1ccc2c(c1)Cc1ccccc1-2 ZINC000021517247 171313597 /nfs/dbraw/zinc/31/35/97/171313597.db2.gz LWJYVALLTHXZBU-UHFFFAOYSA-N 0 0 251.373 4.860 10 0 CJAERN Cc1ccc(CNc2cccc3c2CCCC3)c(C)c1 ZINC000021517318 171313723 /nfs/dbraw/zinc/31/37/23/171313723.db2.gz KXPFAUGXZWRDRI-UHFFFAOYSA-N 0 0 265.400 4.794 10 0 CJAERN CCc1cccc(N[C@H](CC)c2ccc(F)cc2)c1 ZINC000021517679 171314165 /nfs/dbraw/zinc/31/41/65/171314165.db2.gz RBHMPSSQHBLAIG-QGZVFWFLSA-N 0 0 257.352 4.951 10 0 CJAERN CCc1cccc(N[C@@H](CC)c2ccc(F)cc2)c1 ZINC000021517680 171314042 /nfs/dbraw/zinc/31/40/42/171314042.db2.gz RBHMPSSQHBLAIG-KRWDZBQOSA-N 0 0 257.352 4.951 10 0 CJAERN Fc1ccc(NCc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000021517684 171313976 /nfs/dbraw/zinc/31/39/76/171313976.db2.gz ZWPIABYNKGOJOX-UHFFFAOYSA-N 0 0 285.293 4.837 10 0 CJAERN COc1ccc(C)cc1N[C@@H]1CCCCc2ccccc21 ZINC000021517776 171314192 /nfs/dbraw/zinc/31/41/92/171314192.db2.gz ZMCGHUHJEHPJNJ-QGZVFWFLSA-N 0 0 281.399 4.883 10 0 CJAERN COc1ccc(C)cc1N[C@H]1CCCCc2ccccc21 ZINC000021517777 171314157 /nfs/dbraw/zinc/31/41/57/171314157.db2.gz ZMCGHUHJEHPJNJ-KRWDZBQOSA-N 0 0 281.399 4.883 10 0 CJAERN CCc1ccccc1NCc1cc2ccccc2o1 ZINC000021517808 171314228 /nfs/dbraw/zinc/31/42/28/171314228.db2.gz ZHRVYCMGMCWRTA-UHFFFAOYSA-N 0 0 251.329 4.607 10 0 CJAERN COc1ccc(N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021517865 171314138 /nfs/dbraw/zinc/31/41/38/171314138.db2.gz SWEFNZLMOIUWKG-IAOVAPTHSA-N 0 0 261.409 4.568 10 0 CJAERN COc1ccc(N[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021517866 171314200 /nfs/dbraw/zinc/31/42/00/171314200.db2.gz SWEFNZLMOIUWKG-XKQJLSEDSA-N 0 0 261.409 4.568 10 0 CJAERN COc1ccc(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021517867 171314244 /nfs/dbraw/zinc/31/42/44/171314244.db2.gz SWEFNZLMOIUWKG-KBRIMQKVSA-N 0 0 261.409 4.568 10 0 CJAERN COc1ccc(N[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021517868 171313944 /nfs/dbraw/zinc/31/39/44/171313944.db2.gz SWEFNZLMOIUWKG-XYPHTWIQSA-N 0 0 261.409 4.568 10 0 CJAERN CCOc1ccccc1N[C@@H](C)c1cc(C)ccc1C ZINC000021517877 171314123 /nfs/dbraw/zinc/31/41/23/171314123.db2.gz CPKDRKXAEVQLCU-HNNXBMFYSA-N 0 0 269.388 4.875 10 0 CJAERN CCOc1ccccc1N[C@H](C)c1cc(C)ccc1C ZINC000021517878 171314126 /nfs/dbraw/zinc/31/41/26/171314126.db2.gz CPKDRKXAEVQLCU-OAHLLOKOSA-N 0 0 269.388 4.875 10 0 CJAERN CCOc1ccc(N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000021517891 171313987 /nfs/dbraw/zinc/31/39/87/171313987.db2.gz NTVUUOPGNUAECD-HNNXBMFYSA-N 0 0 269.388 4.875 10 0 CJAERN CCOc1ccc(N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000021517892 171314131 /nfs/dbraw/zinc/31/41/31/171314131.db2.gz NTVUUOPGNUAECD-OAHLLOKOSA-N 0 0 269.388 4.875 10 0 CJAERN CC(=O)c1cc(F)ccc1Oc1ccc(Cl)c(C)c1 ZINC000021517907 171314025 /nfs/dbraw/zinc/31/40/25/171314025.db2.gz IZCPLAFJIHHFEQ-UHFFFAOYSA-N 0 0 278.710 4.782 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc(C)c(F)c2)c(C)c1 ZINC000021517913 171314158 /nfs/dbraw/zinc/31/41/58/171314158.db2.gz KSNDOEZUYMPJNV-CQSZACIVSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc(C)c(F)c2)c(C)c1 ZINC000021517914 171314019 /nfs/dbraw/zinc/31/40/19/171314019.db2.gz KSNDOEZUYMPJNV-AWEZNQCLSA-N 0 0 257.352 4.924 10 0 CJAERN CCN(c1ccccc1C)c1cccc(Cl)c1C=O ZINC000021517927 171314282 /nfs/dbraw/zinc/31/42/82/171314282.db2.gz NVHPONOUQWYXHI-UHFFFAOYSA-N 0 0 273.763 4.619 10 0 CJAERN Cc1ccc(NC2CCC(C)CC2)c(Br)c1 ZINC000021517955 171313898 /nfs/dbraw/zinc/31/38/98/171313898.db2.gz LEJVWLOHMZJLEJ-UHFFFAOYSA-N 0 0 282.225 4.748 10 0 CJAERN Cc1ccc(CNc2ccc(C)cc2Br)cc1 ZINC000021518142 171314608 /nfs/dbraw/zinc/31/46/08/171314608.db2.gz AQYGYFBMZLMQBY-UHFFFAOYSA-N 0 0 290.204 4.678 10 0 CJAERN Cc1cccc(NCc2ccc(C(C)(C)C)cc2)c1 ZINC000021518193 171314687 /nfs/dbraw/zinc/31/46/87/171314687.db2.gz ZWKGRJXTYBNHFX-UHFFFAOYSA-N 0 0 253.389 4.905 10 0 CJAERN c1ccc(NC2CCC(c3ccccc3)CC2)cc1 ZINC000021518222 171314672 /nfs/dbraw/zinc/31/46/72/171314672.db2.gz GDABFADZWBSMKG-UHFFFAOYSA-N 0 0 251.373 4.825 10 0 CJAERN COc1ccc2c(c1)CCC[C@@H]2Nc1cccc(SC)c1 ZINC000021518292 171314486 /nfs/dbraw/zinc/31/44/86/171314486.db2.gz LEXBUTKNNUDSAK-SFHVURJKSA-N 0 0 299.439 4.907 10 0 CJAERN COc1ccc2c(c1)CCC[C@H]2Nc1cccc(SC)c1 ZINC000021518293 171314435 /nfs/dbraw/zinc/31/44/35/171314435.db2.gz LEXBUTKNNUDSAK-GOSISDBHSA-N 0 0 299.439 4.907 10 0 CJAERN CC1CCC(Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000021518382 171314502 /nfs/dbraw/zinc/31/45/02/171314502.db2.gz KNUSFQLCCMAXHU-UHFFFAOYSA-N 0 0 273.298 4.576 10 0 CJAERN Cc1cc(Oc2ccccc2C=O)ccc1C(C)C ZINC000021518391 171314516 /nfs/dbraw/zinc/31/45/16/171314516.db2.gz HHYNCIDWAXQULY-UHFFFAOYSA-N 0 0 254.329 4.723 10 0 CJAERN Cc1ccc(N[C@@H]2CCSc3ccccc32)c(C)c1 ZINC000021518436 171314696 /nfs/dbraw/zinc/31/46/96/171314696.db2.gz CTMCQEDZKGYUHE-MRXNPFEDSA-N 0 0 269.413 4.952 10 0 CJAERN Cc1ccc(N[C@H]2CCSc3ccccc32)c(C)c1 ZINC000021518437 171314454 /nfs/dbraw/zinc/31/44/54/171314454.db2.gz CTMCQEDZKGYUHE-INIZCTEOSA-N 0 0 269.413 4.952 10 0 CJAERN Fc1ccc(F)c(NCc2ccc(Cl)cc2Cl)c1 ZINC000021518469 171314479 /nfs/dbraw/zinc/31/44/79/171314479.db2.gz ZSIHOGCBRACHPD-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Cc1cc(C)c([C@@H](C)Nc2ccccc2F)c(C)c1 ZINC000021518646 171314771 /nfs/dbraw/zinc/31/47/71/171314771.db2.gz SNZUNSTYHNWIHW-CQSZACIVSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1cc(C)c([C@H](C)Nc2ccccc2F)c(C)c1 ZINC000021518647 171314775 /nfs/dbraw/zinc/31/47/75/171314775.db2.gz SNZUNSTYHNWIHW-AWEZNQCLSA-N 0 0 257.352 4.924 10 0 CJAERN COc1ccc(Cl)cc1N[C@@H](C)c1ccccc1C ZINC000021518815 171315035 /nfs/dbraw/zinc/31/50/35/171315035.db2.gz VEHVHIHOGKBRKT-LBPRGKRZSA-N 0 0 275.779 4.830 10 0 CJAERN COc1ccc(Cl)cc1N[C@H](C)c1ccccc1C ZINC000021518816 171315065 /nfs/dbraw/zinc/31/50/65/171315065.db2.gz VEHVHIHOGKBRKT-GFCCVEGCSA-N 0 0 275.779 4.830 10 0 CJAERN CC(=O)c1cc(F)ccc1Oc1cccc(C(C)C)c1 ZINC000021518846 171314761 /nfs/dbraw/zinc/31/47/61/171314761.db2.gz OHWSBKDQYRUYSJ-UHFFFAOYSA-N 0 0 272.319 4.944 10 0 CJAERN CCc1ccc(CNc2cc(C)c(Cl)cc2OC)cc1 ZINC000021518847 171314991 /nfs/dbraw/zinc/31/49/91/171314991.db2.gz PPBNEPWKUPZCCH-UHFFFAOYSA-N 0 0 289.806 4.832 10 0 CJAERN CSc1cccc(NC[C@@H](C)c2ccccc2)c1 ZINC000021518851 171314897 /nfs/dbraw/zinc/31/48/97/171314897.db2.gz OWWISDBPRKUCEA-CYBMUJFWSA-N 0 0 257.402 4.624 10 0 CJAERN CSc1cccc(NC[C@H](C)c2ccccc2)c1 ZINC000021518852 171314926 /nfs/dbraw/zinc/31/49/26/171314926.db2.gz OWWISDBPRKUCEA-ZDUSSCGKSA-N 0 0 257.402 4.624 10 0 CJAERN CCCC(CCC)Nc1ccccc1OC(F)(F)F ZINC000021518867 171314793 /nfs/dbraw/zinc/31/47/93/171314793.db2.gz UWMQIYNIDNSUFC-UHFFFAOYSA-N 0 0 275.314 4.966 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc(Cl)cc2)s1 ZINC000021518885 171314769 /nfs/dbraw/zinc/31/47/69/171314769.db2.gz QXVJBSYZAVBKEY-SNVBAGLBSA-N 0 0 251.782 4.883 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc(Cl)cc2)s1 ZINC000021518886 171314942 /nfs/dbraw/zinc/31/49/42/171314942.db2.gz QXVJBSYZAVBKEY-JTQLQIEISA-N 0 0 251.782 4.883 10 0 CJAERN C[C@@H]1CCC[C@@H](C)C1Nc1ccc(C(F)(F)F)cc1 ZINC000021518909 171314741 /nfs/dbraw/zinc/31/47/41/171314741.db2.gz BBHUMQOTKCTPQX-GHMZBOCLSA-N 0 0 271.326 4.942 10 0 CJAERN C[C@@H]1CCC[C@H](C)C1Nc1ccc(C(F)(F)F)cc1 ZINC000021518910 171314811 /nfs/dbraw/zinc/31/48/11/171314811.db2.gz BBHUMQOTKCTPQX-BVUQATHDSA-N 0 0 271.326 4.942 10 0 CJAERN C[C@H]1CCC[C@H](C)C1Nc1ccc(C(F)(F)F)cc1 ZINC000021518911 171315059 /nfs/dbraw/zinc/31/50/59/171315059.db2.gz BBHUMQOTKCTPQX-QWRGUYRKSA-N 0 0 271.326 4.942 10 0 CJAERN COc1ccc(N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(OC)c1 ZINC000021518946 171314818 /nfs/dbraw/zinc/31/48/18/171314818.db2.gz QRHKAWBULMNGMO-YSVLISHTSA-N 0 0 291.435 4.577 10 0 CJAERN COc1ccc(N[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(OC)c1 ZINC000021518947 171314806 /nfs/dbraw/zinc/31/48/06/171314806.db2.gz QRHKAWBULMNGMO-LXZKKBNFSA-N 0 0 291.435 4.577 10 0 CJAERN COc1ccc(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c(OC)c1 ZINC000021518948 171314732 /nfs/dbraw/zinc/31/47/32/171314732.db2.gz QRHKAWBULMNGMO-FRFSOERESA-N 0 0 291.435 4.577 10 0 CJAERN COc1ccc(N[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c(OC)c1 ZINC000021518949 171314975 /nfs/dbraw/zinc/31/49/75/171314975.db2.gz QRHKAWBULMNGMO-UNEWFSDZSA-N 0 0 291.435 4.577 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc(F)cc2C)cc1C ZINC000021518958 171314935 /nfs/dbraw/zinc/31/49/35/171314935.db2.gz WDMQQOVZEZQPAM-CQSZACIVSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc(F)cc2C)cc1C ZINC000021518959 171314984 /nfs/dbraw/zinc/31/49/84/171314984.db2.gz WDMQQOVZEZQPAM-AWEZNQCLSA-N 0 0 257.352 4.924 10 0 CJAERN CCc1ccc(N[C@@H](C)CCc2ccccc2)cc1 ZINC000021519037 171314941 /nfs/dbraw/zinc/31/49/41/171314941.db2.gz PLLGXAJCVBZFND-HNNXBMFYSA-N 0 0 253.389 4.682 10 0 CJAERN CCc1ccc(N[C@H](C)CCc2ccccc2)cc1 ZINC000021519038 171315047 /nfs/dbraw/zinc/31/50/47/171315047.db2.gz PLLGXAJCVBZFND-OAHLLOKOSA-N 0 0 253.389 4.682 10 0 CJAERN CC(=O)c1cc(F)ccc1Sc1ccc(C)c(C)c1 ZINC000021519075 171314777 /nfs/dbraw/zinc/31/47/77/171314777.db2.gz FRQKZWXATGWZSE-UHFFFAOYSA-N 0 0 274.360 4.796 10 0 CJAERN COc1ccccc1N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021519109 171314875 /nfs/dbraw/zinc/31/48/75/171314875.db2.gz MIHUBHJTVYOTPR-SQWLQELKSA-N 0 0 261.409 4.568 10 0 CJAERN COc1ccccc1N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021519110 171314922 /nfs/dbraw/zinc/31/49/22/171314922.db2.gz MIHUBHJTVYOTPR-LZWOXQAQSA-N 0 0 261.409 4.568 10 0 CJAERN COc1ccccc1N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000021519111 171315058 /nfs/dbraw/zinc/31/50/58/171315058.db2.gz MIHUBHJTVYOTPR-IIAWOOMASA-N 0 0 261.409 4.568 10 0 CJAERN COc1ccccc1N[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000021519112 171314951 /nfs/dbraw/zinc/31/49/51/171314951.db2.gz MIHUBHJTVYOTPR-FMKPAKJESA-N 0 0 261.409 4.568 10 0 CJAERN CCOc1ccc([C@@H](C)Nc2ccccc2Cl)cc1 ZINC000021519169 171315175 /nfs/dbraw/zinc/31/51/75/171315175.db2.gz FATTVRDTNVYZJR-GFCCVEGCSA-N 0 0 275.779 4.912 10 0 CJAERN CCOc1ccc([C@H](C)Nc2ccccc2Cl)cc1 ZINC000021519170 171315168 /nfs/dbraw/zinc/31/51/68/171315168.db2.gz FATTVRDTNVYZJR-LBPRGKRZSA-N 0 0 275.779 4.912 10 0 CJAERN CCc1ccc(CNc2cccc(Cl)c2)s1 ZINC000021519195 171315208 /nfs/dbraw/zinc/31/52/08/171315208.db2.gz ULRBJOHQGLGQQU-UHFFFAOYSA-N 0 0 251.782 4.576 10 0 CJAERN CC(=O)c1ccc(Oc2ccccc2C(C)C)cc1 ZINC000021519255 171315157 /nfs/dbraw/zinc/31/51/57/171315157.db2.gz PTUCEKJTUPJSRT-UHFFFAOYSA-N 0 0 254.329 4.805 10 0 CJAERN COc1ccc(C)cc1[C@@H](C)Nc1cccc(C)c1C ZINC000021519261 171315187 /nfs/dbraw/zinc/31/51/87/171315187.db2.gz OAFGYUOPKGBFNH-OAHLLOKOSA-N 0 0 269.388 4.794 10 0 CJAERN COc1ccc(C)cc1[C@H](C)Nc1cccc(C)c1C ZINC000021519262 171315251 /nfs/dbraw/zinc/31/52/51/171315251.db2.gz OAFGYUOPKGBFNH-HNNXBMFYSA-N 0 0 269.388 4.794 10 0 CJAERN CCc1ccc(CNc2cc(Cl)ccc2OC)cc1 ZINC000021519264 171315177 /nfs/dbraw/zinc/31/51/77/171315177.db2.gz PBBJFRMVXQVFCC-UHFFFAOYSA-N 0 0 275.779 4.523 10 0 CJAERN C[C@@H]1C[C@@H](Nc2cccc(Cl)c2)CC(C)(C)C1 ZINC000021519640 171315339 /nfs/dbraw/zinc/31/53/39/171315339.db2.gz GVRXWYWQDGRQGA-BXUZGUMPSA-N 0 0 251.801 4.967 10 0 CJAERN C[C@H]1C[C@@H](Nc2cccc(Cl)c2)CC(C)(C)C1 ZINC000021519641 171315321 /nfs/dbraw/zinc/31/53/21/171315321.db2.gz GVRXWYWQDGRQGA-SMDDNHRTSA-N 0 0 251.801 4.967 10 0 CJAERN C[C@@H]1C[C@H](Nc2cccc(Cl)c2)CC(C)(C)C1 ZINC000021519642 171315327 /nfs/dbraw/zinc/31/53/27/171315327.db2.gz GVRXWYWQDGRQGA-RISCZKNCSA-N 0 0 251.801 4.967 10 0 CJAERN C[C@H]1C[C@H](Nc2cccc(Cl)c2)CC(C)(C)C1 ZINC000021519643 171315331 /nfs/dbraw/zinc/31/53/31/171315331.db2.gz GVRXWYWQDGRQGA-FZMZJTMJSA-N 0 0 251.801 4.967 10 0 CJAERN CCOc1ccccc1CNc1ccc(Cl)cc1C ZINC000021520138 171315624 /nfs/dbraw/zinc/31/56/24/171315624.db2.gz MZRUMZVSOLBAFM-UHFFFAOYSA-N 0 0 275.779 4.659 10 0 CJAERN COc1ccc2c(c1)CCC[C@@H]2Nc1cc(F)ccc1C ZINC000021520277 171315634 /nfs/dbraw/zinc/31/56/34/171315634.db2.gz RUUGHQPCMPKXST-KRWDZBQOSA-N 0 0 285.362 4.632 10 0 CJAERN COc1ccc2c(c1)CCC[C@H]2Nc1cc(F)ccc1C ZINC000021520278 171315802 /nfs/dbraw/zinc/31/58/02/171315802.db2.gz RUUGHQPCMPKXST-QGZVFWFLSA-N 0 0 285.362 4.632 10 0 CJAERN CCOc1ccc(N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021520308 171315673 /nfs/dbraw/zinc/31/56/73/171315673.db2.gz WCRYIJRXIYSPDT-BMGDILEWSA-N 0 0 275.436 4.958 10 0 CJAERN CCOc1ccc(N[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021520309 171315627 /nfs/dbraw/zinc/31/56/27/171315627.db2.gz WCRYIJRXIYSPDT-QGTPRVQTSA-N 0 0 275.436 4.958 10 0 CJAERN CCOc1ccc(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021520310 171315427 /nfs/dbraw/zinc/31/54/27/171315427.db2.gz WCRYIJRXIYSPDT-ZTFGCOKTSA-N 0 0 275.436 4.958 10 0 CJAERN CCOc1ccc(N[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021520311 171315561 /nfs/dbraw/zinc/31/55/61/171315561.db2.gz WCRYIJRXIYSPDT-OLMNPRSZSA-N 0 0 275.436 4.958 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc3c(c2)CCC3)cc1 ZINC000021520375 171315778 /nfs/dbraw/zinc/31/57/78/171315778.db2.gz FJZHGSKTJPHFTG-CQSZACIVSA-N 0 0 251.373 4.657 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc3c(c2)CCC3)cc1 ZINC000021520376 171315768 /nfs/dbraw/zinc/31/57/68/171315768.db2.gz FJZHGSKTJPHFTG-AWEZNQCLSA-N 0 0 251.373 4.657 10 0 CJAERN CCc1ccc(OCc2cccc(N)c2)c(C(C)(C)C)c1 ZINC000021520379 171315667 /nfs/dbraw/zinc/31/56/67/171315667.db2.gz SFUMDSHQDOULNA-UHFFFAOYSA-N 0 0 283.415 4.708 10 0 CJAERN Cc1ccccc1CNc1ccc(Br)c(C)c1 ZINC000021520390 171315581 /nfs/dbraw/zinc/31/55/81/171315581.db2.gz IXENKQJQNIIZMY-UHFFFAOYSA-N 0 0 290.204 4.678 10 0 CJAERN C[C@@H]1C[C@@H]1c1ccc(CNc2cccc3c2CCCC3)o1 ZINC000021520396 171315638 /nfs/dbraw/zinc/31/56/38/171315638.db2.gz FJDLPNXXYGSQOP-DYVFJYSZSA-N 0 0 281.399 4.894 10 0 CJAERN C[C@H]1C[C@H]1c1ccc(CNc2cccc3c2CCCC3)o1 ZINC000021520399 171315521 /nfs/dbraw/zinc/31/55/21/171315521.db2.gz FJDLPNXXYGSQOP-SUMWQHHRSA-N 0 0 281.399 4.894 10 0 CJAERN Cc1cc(C)c(CNc2cc(F)ccc2C)c(C)c1 ZINC000021520426 171315510 /nfs/dbraw/zinc/31/55/10/171315510.db2.gz YNRVFJIDPPUJKC-UHFFFAOYSA-N 0 0 257.352 4.671 10 0 CJAERN CCOc1ccc(CNc2cccc3c2CCCC3)cc1 ZINC000021520435 171315734 /nfs/dbraw/zinc/31/57/34/171315734.db2.gz BZXTUJCJXNLIQF-UHFFFAOYSA-N 0 0 281.399 4.576 10 0 CJAERN c1cc(CNc2ccccc2Cc2ccccc2)cs1 ZINC000021520462 171315723 /nfs/dbraw/zinc/31/57/23/171315723.db2.gz AKOIHHYRXBFIHI-UHFFFAOYSA-N 0 0 279.408 4.951 10 0 CJAERN Cc1c(Cl)cccc1N[C@H](C)c1cccs1 ZINC000021520504 171315417 /nfs/dbraw/zinc/31/54/17/171315417.db2.gz VRYOAAJINXTSOA-SNVBAGLBSA-N 0 0 251.782 4.883 10 0 CJAERN Cc1c(Cl)cccc1N[C@@H](C)c1cccs1 ZINC000021520505 171315580 /nfs/dbraw/zinc/31/55/80/171315580.db2.gz VRYOAAJINXTSOA-JTQLQIEISA-N 0 0 251.782 4.883 10 0 CJAERN CCc1ccc(CNc2cc(Cl)ccc2OC)s1 ZINC000021520512 171315553 /nfs/dbraw/zinc/31/55/53/171315553.db2.gz VRKLSTFNZURFQN-UHFFFAOYSA-N 0 0 281.808 4.585 10 0 CJAERN Cc1cc(F)ccc1NCc1ccc(F)cc1Cl ZINC000021520536 171316221 /nfs/dbraw/zinc/31/62/21/171316221.db2.gz MVFIMVAKEIKOGA-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN COc1ccc(N[C@@H](C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000021520568 171316052 /nfs/dbraw/zinc/31/60/52/171316052.db2.gz VFPBMHCSICVUOD-VIFPVBQESA-N 0 0 297.185 4.570 10 0 CJAERN COc1ccc(N[C@H](C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000021520569 171316028 /nfs/dbraw/zinc/31/60/28/171316028.db2.gz VFPBMHCSICVUOD-SECBINFHSA-N 0 0 297.185 4.570 10 0 CJAERN Cc1cc(C)c([C@@H](C)Nc2cccc(F)c2)cc1C ZINC000021520580 171316085 /nfs/dbraw/zinc/31/60/85/171316085.db2.gz CKMISGNILJJUGR-CQSZACIVSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1cc(C)c([C@H](C)Nc2cccc(F)c2)cc1C ZINC000021520581 171315952 /nfs/dbraw/zinc/31/59/52/171315952.db2.gz CKMISGNILJJUGR-AWEZNQCLSA-N 0 0 257.352 4.924 10 0 CJAERN C[C@@H](Nc1cccc(F)c1)c1ccc(F)c(Cl)c1 ZINC000021520688 171316038 /nfs/dbraw/zinc/31/60/38/171316038.db2.gz FAKGDNROPGYDSN-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1cccc(F)c1)c1ccc(F)c(Cl)c1 ZINC000021520689 171315915 /nfs/dbraw/zinc/31/59/15/171315915.db2.gz FAKGDNROPGYDSN-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN CC[C@@H](Nc1cc(C)ccc1OC)c1ccc(C)cc1 ZINC000021520846 171316080 /nfs/dbraw/zinc/31/60/80/171316080.db2.gz XDNQHPSMHQRNFN-MRXNPFEDSA-N 0 0 269.388 4.875 10 0 CJAERN CC[C@H](Nc1cc(C)ccc1OC)c1ccc(C)cc1 ZINC000021520847 171316043 /nfs/dbraw/zinc/31/60/43/171316043.db2.gz XDNQHPSMHQRNFN-INIZCTEOSA-N 0 0 269.388 4.875 10 0 CJAERN Cc1ccc(NCc2ccc(F)cc2Cl)cc1F ZINC000021520874 171316042 /nfs/dbraw/zinc/31/60/42/171316042.db2.gz DEZCXUZLKQPZSA-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN COc1cc(Cl)c(C)cc1N[C@@H]1CCc2ccccc21 ZINC000021520944 171316124 /nfs/dbraw/zinc/31/61/24/171316124.db2.gz XDKQCUKHHANHOS-OAHLLOKOSA-N 0 0 287.790 4.756 10 0 CJAERN COc1cc(Cl)c(C)cc1N[C@H]1CCc2ccccc21 ZINC000021520945 171316116 /nfs/dbraw/zinc/31/61/16/171316116.db2.gz XDKQCUKHHANHOS-HNNXBMFYSA-N 0 0 287.790 4.756 10 0 CJAERN CCCC(CCC)Nc1ccc(OC)c(Cl)c1 ZINC000021520978 171315945 /nfs/dbraw/zinc/31/59/45/171315945.db2.gz OQAIHGMXAYVGRV-UHFFFAOYSA-N 0 0 255.789 4.729 10 0 CJAERN COc1cc(Cl)c(C)cc1NCc1cccc(Cl)c1 ZINC000021521062 171315890 /nfs/dbraw/zinc/31/58/90/171315890.db2.gz ZWQKQGDTUAKDRQ-UHFFFAOYSA-N 0 0 296.197 4.923 10 0 CJAERN CC(C)CC(CC(C)C)Nc1ccc(F)cc1F ZINC000021521081 171316123 /nfs/dbraw/zinc/31/61/23/171316123.db2.gz YZUFAIKKYCMOAJ-UHFFFAOYSA-N 0 0 255.352 4.838 10 0 CJAERN Cc1ccc(C)c([C@@H](C)Nc2ccc(F)cc2C)c1 ZINC000021521122 171316331 /nfs/dbraw/zinc/31/63/31/171316331.db2.gz COJFCUOWJRNMDI-CQSZACIVSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1ccc(C)c([C@H](C)Nc2ccc(F)cc2C)c1 ZINC000021521123 171316350 /nfs/dbraw/zinc/31/63/50/171316350.db2.gz COJFCUOWJRNMDI-AWEZNQCLSA-N 0 0 257.352 4.924 10 0 CJAERN CCCC1CCC(Nc2ccc3[nH]ccc3c2)CC1 ZINC000021521124 171316525 /nfs/dbraw/zinc/31/65/25/171316525.db2.gz QWPOLRAVZQNFHQ-UHFFFAOYSA-N 0 0 256.393 4.939 10 0 CJAERN C[C@@H]1CCC[C@@H](C)C1Nc1ccccc1C(F)(F)F ZINC000021786420 171322503 /nfs/dbraw/zinc/32/25/03/171322503.db2.gz NWXCHIPRMVQASO-GHMZBOCLSA-N 0 0 271.326 4.942 10 0 CJAERN C[C@@H]1CCC[C@H](C)C1Nc1ccccc1C(F)(F)F ZINC000021786424 171322646 /nfs/dbraw/zinc/32/26/46/171322646.db2.gz NWXCHIPRMVQASO-BVUQATHDSA-N 0 0 271.326 4.942 10 0 CJAERN C[C@H]1CCC[C@H](C)C1Nc1ccccc1C(F)(F)F ZINC000021786429 171322423 /nfs/dbraw/zinc/32/24/23/171322423.db2.gz NWXCHIPRMVQASO-QWRGUYRKSA-N 0 0 271.326 4.942 10 0 CJAERN CSCCCNc1cc(C(F)(F)F)ccc1Cl ZINC000021786652 171322323 /nfs/dbraw/zinc/32/23/23/171322323.db2.gz JMRNJDDVAKAURE-UHFFFAOYSA-N 0 0 283.746 4.524 10 0 CJAERN Nc1cccnc1Oc1ccc(-c2ccccc2)cc1Cl ZINC000021786678 171322395 /nfs/dbraw/zinc/32/23/95/171322395.db2.gz TYZIRKQFSGZDLM-UHFFFAOYSA-N 0 0 296.757 4.777 10 0 CJAERN Fc1ccc(CNc2cccc3ccccc32)c(F)c1 ZINC000021786813 171322554 /nfs/dbraw/zinc/32/25/54/171322554.db2.gz KLMIOHZTTUPHAG-UHFFFAOYSA-N 0 0 269.294 4.730 10 0 CJAERN CSc1ccc(CNc2ccc(Cl)cc2C)cc1 ZINC000021786962 171322425 /nfs/dbraw/zinc/32/24/25/171322425.db2.gz KYKSGPXMCLWMOX-UHFFFAOYSA-N 0 0 277.820 4.982 10 0 CJAERN Cc1ccc(CNc2ccc(Br)cc2F)cc1 ZINC000021786970 171322396 /nfs/dbraw/zinc/32/23/96/171322396.db2.gz PNNWJJJHXWXQQJ-UHFFFAOYSA-N 0 0 294.167 4.509 10 0 CJAERN CC(C)(C)c1ccc(NCc2ccc(F)c(F)c2)cc1 ZINC000021787065 171322418 /nfs/dbraw/zinc/32/24/18/171322418.db2.gz SRVVYROAKYVCOF-UHFFFAOYSA-N 0 0 275.342 4.874 10 0 CJAERN CC[C@@H](Nc1cc(F)ccc1C)c1ccc(OC)cc1 ZINC000021787240 171323016 /nfs/dbraw/zinc/32/30/16/171323016.db2.gz MZJIFEJXQPVTRO-MRXNPFEDSA-N 0 0 273.351 4.706 10 0 CJAERN CC[C@H](Nc1cc(F)ccc1C)c1ccc(OC)cc1 ZINC000021787244 171322906 /nfs/dbraw/zinc/32/29/06/171322906.db2.gz MZJIFEJXQPVTRO-INIZCTEOSA-N 0 0 273.351 4.706 10 0 CJAERN CC(C)CCNc1ccc2c(c1)Cc1ccccc1-2 ZINC000021787314 171322904 /nfs/dbraw/zinc/32/29/04/171322904.db2.gz MHJJZHHJYCFHJX-UHFFFAOYSA-N 0 0 251.373 4.716 10 0 CJAERN COc1ccc2c(c1)CCC[C@@H]2Nc1ccccc1Cl ZINC000021787827 171322810 /nfs/dbraw/zinc/32/28/10/171322810.db2.gz RJOVJCWUEIMVGP-INIZCTEOSA-N 0 0 287.790 4.838 10 0 CJAERN COc1ccc2c(c1)CCC[C@H]2Nc1ccccc1Cl ZINC000021787831 171322819 /nfs/dbraw/zinc/32/28/19/171322819.db2.gz RJOVJCWUEIMVGP-MRXNPFEDSA-N 0 0 287.790 4.838 10 0 CJAERN Cc1cccc(NCc2c(Cl)cccc2Cl)c1 ZINC000021787883 171322932 /nfs/dbraw/zinc/32/29/32/171322932.db2.gz UFFLMMBQILLIJM-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN Cc1ccccc1[C@@H](C)Nc1ccc2c(c1)CCC2 ZINC000021787964 171323000 /nfs/dbraw/zinc/32/30/00/171323000.db2.gz VHPDYWFHQLZQPT-CQSZACIVSA-N 0 0 251.373 4.657 10 0 CJAERN Cc1ccccc1[C@H](C)Nc1ccc2c(c1)CCC2 ZINC000021787967 171323030 /nfs/dbraw/zinc/32/30/30/171323030.db2.gz VHPDYWFHQLZQPT-AWEZNQCLSA-N 0 0 251.373 4.657 10 0 CJAERN Clc1ccc(N[C@@H]2CCSc3ccccc32)cc1 ZINC000021788519 171323532 /nfs/dbraw/zinc/32/35/32/171323532.db2.gz JBQAWOLAOFHZDU-CQSZACIVSA-N 0 0 275.804 4.989 10 0 CJAERN Clc1ccc(N[C@H]2CCSc3ccccc32)cc1 ZINC000021788522 171323457 /nfs/dbraw/zinc/32/34/57/171323457.db2.gz JBQAWOLAOFHZDU-AWEZNQCLSA-N 0 0 275.804 4.989 10 0 CJAERN CCOc1ccccc1[C@@H](C)Nc1ccc(F)c(F)c1F ZINC000021788540 171323472 /nfs/dbraw/zinc/32/34/72/171323472.db2.gz JFRHJNKKPVSPAY-SNVBAGLBSA-N 0 0 295.304 4.676 10 0 CJAERN CCOc1ccccc1[C@H](C)Nc1ccc(F)c(F)c1F ZINC000021788543 171323234 /nfs/dbraw/zinc/32/32/34/171323234.db2.gz JFRHJNKKPVSPAY-JTQLQIEISA-N 0 0 295.304 4.676 10 0 CJAERN CCCCc1ccc(NCCc2ccccc2)cc1 ZINC000021788554 171323309 /nfs/dbraw/zinc/32/33/09/171323309.db2.gz AKCUICGRDJKURO-UHFFFAOYSA-N 0 0 253.389 4.684 10 0 CJAERN Fc1ccc(NCc2ccc3ccccc3c2)c(F)c1 ZINC000021788579 171323232 /nfs/dbraw/zinc/32/32/32/171323232.db2.gz CMTIVJFGEJODOX-UHFFFAOYSA-N 0 0 269.294 4.730 10 0 CJAERN Cc1ccc(C)c(-c2nc(Cl)c3ccccc3n2)c1 ZINC000021788837 171323534 /nfs/dbraw/zinc/32/35/34/171323534.db2.gz PDBOZWCPCWVACH-UHFFFAOYSA-N 0 0 268.747 4.567 10 0 CJAERN Cc1nc(-c2ccc(N[C@H](C)C(C)C)cc2)cs1 ZINC000021788881 171323492 /nfs/dbraw/zinc/32/34/92/171323492.db2.gz AWYPXEDWPYTUDJ-LLVKDONJSA-N 0 0 260.406 4.575 10 0 CJAERN Cc1nc(-c2ccc(N[C@@H](C)C(C)C)cc2)cs1 ZINC000021788885 171323162 /nfs/dbraw/zinc/32/31/62/171323162.db2.gz AWYPXEDWPYTUDJ-NSHDSACASA-N 0 0 260.406 4.575 10 0 CJAERN Cc1ccc([C@@H](C)Nc2cccc3ncccc32)cc1 ZINC000021788922 171323279 /nfs/dbraw/zinc/32/32/79/171323279.db2.gz FGFJQRVHHWZWEZ-CQSZACIVSA-N 0 0 262.356 4.716 10 0 CJAERN Cc1ccc([C@H](C)Nc2cccc3ncccc32)cc1 ZINC000021788926 171323436 /nfs/dbraw/zinc/32/34/36/171323436.db2.gz FGFJQRVHHWZWEZ-AWEZNQCLSA-N 0 0 262.356 4.716 10 0 CJAERN C[C@@H](Nc1cccc(Cl)c1)c1c(F)cccc1F ZINC000021790005 171323401 /nfs/dbraw/zinc/32/34/01/171323401.db2.gz ZOJLXSFXGGASQE-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1cccc(Cl)c1)c1c(F)cccc1F ZINC000021790008 171323353 /nfs/dbraw/zinc/32/33/53/171323353.db2.gz ZOJLXSFXGGASQE-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN Fc1cc(F)cc(NCc2ccc(Cl)c(Cl)c2)c1 ZINC000021790102 171323546 /nfs/dbraw/zinc/32/35/46/171323546.db2.gz MYAFDWLHHYLNKD-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN FC(F)(F)CNC1CCCCCCCCCCC1 ZINC000021790115 171323566 /nfs/dbraw/zinc/32/35/66/171323566.db2.gz VGLNAKVDFDYEHD-UHFFFAOYSA-N 0 0 265.363 4.812 10 0 CJAERN O=Cc1c(Cl)cccc1Oc1cccc(Cl)c1 ZINC000021790305 171323995 /nfs/dbraw/zinc/32/39/95/171323995.db2.gz XINPSUAVODAYMK-UHFFFAOYSA-N 0 0 267.111 4.598 10 0 CJAERN Cc1ccc(NCc2ccc(Cl)cc2)cc1Cl ZINC000021790620 171323697 /nfs/dbraw/zinc/32/36/97/171323697.db2.gz KTRGGDLDUHQISW-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN CC[C@@H](Nc1ccc(F)c(F)c1F)c1cccs1 ZINC000021790823 171323661 /nfs/dbraw/zinc/32/36/61/171323661.db2.gz WUGISWQFWZLPCA-SECBINFHSA-N 0 0 271.307 4.729 10 0 CJAERN CC[C@H](Nc1ccc(F)c(F)c1F)c1cccs1 ZINC000021790826 171323934 /nfs/dbraw/zinc/32/39/34/171323934.db2.gz WUGISWQFWZLPCA-VIFPVBQESA-N 0 0 271.307 4.729 10 0 CJAERN CCC(=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000021790903 171324012 /nfs/dbraw/zinc/32/40/12/171324012.db2.gz VWJGLNRJIZAULV-UHFFFAOYSA-N 0 0 274.747 4.512 10 0 CJAERN CSc1ccc(NCc2c(F)cccc2Cl)cc1 ZINC000021791018 171323985 /nfs/dbraw/zinc/32/39/85/171323985.db2.gz XFHXKOVQYGCBHA-UHFFFAOYSA-N 0 0 281.783 4.813 10 0 CJAERN CCOc1ccccc1[C@@H](C)Nc1ccc(C)c(C)c1 ZINC000021791350 171324302 /nfs/dbraw/zinc/32/43/02/171324302.db2.gz SKFGJDPRDFZZSR-OAHLLOKOSA-N 0 0 269.388 4.875 10 0 CJAERN CCOc1ccccc1[C@H](C)Nc1ccc(C)c(C)c1 ZINC000021791354 171324361 /nfs/dbraw/zinc/32/43/61/171324361.db2.gz SKFGJDPRDFZZSR-HNNXBMFYSA-N 0 0 269.388 4.875 10 0 CJAERN COc1ccccc1[C@@H](C)Nc1ccccc1C(C)C ZINC000021791358 171324270 /nfs/dbraw/zinc/32/42/70/171324270.db2.gz XRQKUVFZCFAJQM-CQSZACIVSA-N 0 0 269.388 4.992 10 0 CJAERN COc1ccccc1[C@H](C)Nc1ccccc1C(C)C ZINC000021791361 171324086 /nfs/dbraw/zinc/32/40/86/171324086.db2.gz XRQKUVFZCFAJQM-AWEZNQCLSA-N 0 0 269.388 4.992 10 0 CJAERN Cc1ccc(N[C@@H]2CCCc3ccccc32)cc1C ZINC000021791444 171324171 /nfs/dbraw/zinc/32/41/71/171324171.db2.gz OFOKVWQERUNGLY-GOSISDBHSA-N 0 0 251.373 4.793 10 0 CJAERN Cc1ccc(N[C@H]2CCCc3ccccc32)cc1C ZINC000021791447 171324111 /nfs/dbraw/zinc/32/41/11/171324111.db2.gz OFOKVWQERUNGLY-SFHVURJKSA-N 0 0 251.373 4.793 10 0 CJAERN CCCc1ccc([C@@H](C)Nc2ccc3c(c2)OCO3)cc1 ZINC000021792020 171324092 /nfs/dbraw/zinc/32/40/92/171324092.db2.gz RQKWERWPCQTMKP-CYBMUJFWSA-N 0 0 283.371 4.541 10 0 CJAERN CCCc1ccc([C@H](C)Nc2ccc3c(c2)OCO3)cc1 ZINC000021792025 171324107 /nfs/dbraw/zinc/32/41/07/171324107.db2.gz RQKWERWPCQTMKP-ZDUSSCGKSA-N 0 0 283.371 4.541 10 0 CJAERN Cc1cccc(CNc2ccc(Br)cc2F)c1 ZINC000021792312 171324384 /nfs/dbraw/zinc/32/43/84/171324384.db2.gz JPLCIHXXDJBKEN-UHFFFAOYSA-N 0 0 294.167 4.509 10 0 CJAERN CCCOc1ccc([C@@H](C)Nc2ccccc2F)cc1 ZINC000021793643 171324724 /nfs/dbraw/zinc/32/47/24/171324724.db2.gz SRQKLXGQPCCPOJ-CYBMUJFWSA-N 0 0 273.351 4.788 10 0 CJAERN CCCOc1ccc([C@H](C)Nc2ccccc2F)cc1 ZINC000021793646 171324531 /nfs/dbraw/zinc/32/45/31/171324531.db2.gz SRQKLXGQPCCPOJ-ZDUSSCGKSA-N 0 0 273.351 4.788 10 0 CJAERN Clc1cccc(NC[C@H]2CC=CCC2)c1Cl ZINC000021794040 171324767 /nfs/dbraw/zinc/32/47/67/171324767.db2.gz YBJGKAFSBXXVJY-JTQLQIEISA-N 0 0 256.176 4.762 10 0 CJAERN Clc1cccc(NC[C@@H]2CC=CCC2)c1Cl ZINC000021794044 171324498 /nfs/dbraw/zinc/32/44/98/171324498.db2.gz YBJGKAFSBXXVJY-SNVBAGLBSA-N 0 0 256.176 4.762 10 0 CJAERN CCC[C@@H](C)CNc1cc(C)c(Cl)cc1OC ZINC000021794141 171324802 /nfs/dbraw/zinc/32/48/02/171324802.db2.gz JOPWXEPQEUHFKV-SNVBAGLBSA-N 0 0 255.789 4.505 10 0 CJAERN CCC[C@H](C)CNc1cc(C)c(Cl)cc1OC ZINC000021794145 171324791 /nfs/dbraw/zinc/32/47/91/171324791.db2.gz JOPWXEPQEUHFKV-JTQLQIEISA-N 0 0 255.789 4.505 10 0 CJAERN CC(=O)c1cc(F)ccc1Sc1cc(C)ccc1C ZINC000021794547 171324818 /nfs/dbraw/zinc/32/48/18/171324818.db2.gz KARGVOKECPEHEN-UHFFFAOYSA-N 0 0 274.360 4.796 10 0 CJAERN CCc1ccc(CNc2cc(Cl)ccc2C)cc1 ZINC000021794557 171324816 /nfs/dbraw/zinc/32/48/16/171324816.db2.gz WCJYYXDRANXCCV-UHFFFAOYSA-N 0 0 259.780 4.823 10 0 CJAERN CCc1ccc([C@@H](C)Nc2cc(F)cc(F)c2)cc1 ZINC000021794589 171324565 /nfs/dbraw/zinc/32/45/65/171324565.db2.gz INWYTZLBAAOHAK-LLVKDONJSA-N 0 0 261.315 4.700 10 0 CJAERN CCc1ccc([C@H](C)Nc2cc(F)cc(F)c2)cc1 ZINC000021794593 171324536 /nfs/dbraw/zinc/32/45/36/171324536.db2.gz INWYTZLBAAOHAK-NSHDSACASA-N 0 0 261.315 4.700 10 0 CJAERN CCc1ccc(N[C@@H]2CCCc3ccccc32)cc1 ZINC000021794642 171324523 /nfs/dbraw/zinc/32/45/23/171324523.db2.gz XOGDVOHINLYMSH-GOSISDBHSA-N 0 0 251.373 4.739 10 0 CJAERN CCc1ccc(N[C@H]2CCCc3ccccc32)cc1 ZINC000021794646 171324526 /nfs/dbraw/zinc/32/45/26/171324526.db2.gz XOGDVOHINLYMSH-SFHVURJKSA-N 0 0 251.373 4.739 10 0 CJAERN Cc1sc2nc(-c3ccccc3F)nc(Cl)c2c1C ZINC000021794824 171324887 /nfs/dbraw/zinc/32/48/87/171324887.db2.gz LOTWESPEQHVFPR-UHFFFAOYSA-N 0 0 292.766 4.768 10 0 CJAERN Cc1cc(C)cc(Oc2cccc(Cl)c2C=O)c1 ZINC000021794872 171324558 /nfs/dbraw/zinc/32/45/58/171324558.db2.gz VNISQLLMUZEHFM-UHFFFAOYSA-N 0 0 260.720 4.562 10 0 CJAERN Cc1sc2nc(-c3ccc(F)cc3)nc(Cl)c2c1C ZINC000021794935 171324632 /nfs/dbraw/zinc/32/46/32/171324632.db2.gz MWQQMMJDWVWUKO-UHFFFAOYSA-N 0 0 292.766 4.768 10 0 CJAERN COc1ccc2c(c1)CCC[C@@H]2Nc1ccc(SC)cc1 ZINC000021794957 171324607 /nfs/dbraw/zinc/32/46/07/171324607.db2.gz FHLXITQKICIWQY-SFHVURJKSA-N 0 0 299.439 4.907 10 0 CJAERN COc1ccc2c(c1)CCC[C@H]2Nc1ccc(SC)cc1 ZINC000021794960 171324475 /nfs/dbraw/zinc/32/44/75/171324475.db2.gz FHLXITQKICIWQY-GOSISDBHSA-N 0 0 299.439 4.907 10 0 CJAERN Nc1ccc(Sc2cc(Cl)ccc2Cl)cc1 ZINC000021797051 171325318 /nfs/dbraw/zinc/32/53/18/171325318.db2.gz SSXMBHKCCSUCJU-UHFFFAOYSA-N 0 0 270.184 4.727 10 0 CJAERN CCc1ccc(COc2ccccc2Br)s1 ZINC000021797171 171325322 /nfs/dbraw/zinc/32/53/22/171325322.db2.gz BQICEUXYMJMZDV-UHFFFAOYSA-N 0 0 297.217 4.652 10 0 CJAERN Fc1cccc(N[C@@H]2CCCCc3ccccc32)c1 ZINC000021797237 171325166 /nfs/dbraw/zinc/32/51/66/171325166.db2.gz ZDIAYUBIRPCWKT-QGZVFWFLSA-N 0 0 255.336 4.705 10 0 CJAERN Fc1cccc(N[C@H]2CCCCc3ccccc32)c1 ZINC000021797240 171325116 /nfs/dbraw/zinc/32/51/16/171325116.db2.gz ZDIAYUBIRPCWKT-KRWDZBQOSA-N 0 0 255.336 4.705 10 0 CJAERN Cc1ccc(C)c(N[C@@H]2CCSc3ccccc32)c1 ZINC000021797390 171325217 /nfs/dbraw/zinc/32/52/17/171325217.db2.gz XYEXNWXXLGMKNC-OAHLLOKOSA-N 0 0 269.413 4.952 10 0 CJAERN Cc1ccc(C)c(N[C@H]2CCSc3ccccc32)c1 ZINC000021797393 171325298 /nfs/dbraw/zinc/32/52/98/171325298.db2.gz XYEXNWXXLGMKNC-HNNXBMFYSA-N 0 0 269.413 4.952 10 0 CJAERN Cc1ccc(C)c([C@@H](C)Nc2cc(F)ccc2F)c1 ZINC000021797484 171325233 /nfs/dbraw/zinc/32/52/33/171325233.db2.gz ZZBUXKFOXRGQQA-GFCCVEGCSA-N 0 0 261.315 4.755 10 0 CJAERN Cc1ccc(C)c([C@H](C)Nc2cc(F)ccc2F)c1 ZINC000021797488 171325152 /nfs/dbraw/zinc/32/51/52/171325152.db2.gz ZZBUXKFOXRGQQA-LBPRGKRZSA-N 0 0 261.315 4.755 10 0 CJAERN CC(C)CC[C@@H](C)Nc1cccc(Br)c1 ZINC000021798303 171325324 /nfs/dbraw/zinc/32/53/24/171325324.db2.gz BKGNFPQFKRGGNG-LLVKDONJSA-N 0 0 270.214 4.686 10 0 CJAERN CC(C)CC[C@H](C)Nc1cccc(Br)c1 ZINC000021798307 171325045 /nfs/dbraw/zinc/32/50/45/171325045.db2.gz BKGNFPQFKRGGNG-NSHDSACASA-N 0 0 270.214 4.686 10 0 CJAERN CCCCC[C@@H](C)Nc1ccccc1OC(F)(F)F ZINC000021798430 171325316 /nfs/dbraw/zinc/32/53/16/171325316.db2.gz KDKKEZPYLNXKFE-LLVKDONJSA-N 0 0 275.314 4.966 10 0 CJAERN CCCCC[C@H](C)Nc1ccccc1OC(F)(F)F ZINC000021798434 171325078 /nfs/dbraw/zinc/32/50/78/171325078.db2.gz KDKKEZPYLNXKFE-NSHDSACASA-N 0 0 275.314 4.966 10 0 CJAERN CCC[C@@H](Nc1cc(OC)cc(OC)c1)c1ccccc1 ZINC000021798465 171325180 /nfs/dbraw/zinc/32/51/80/171325180.db2.gz KUUBBFUDQYWACF-GOSISDBHSA-N 0 0 285.387 4.657 10 0 CJAERN CCC[C@H](Nc1cc(OC)cc(OC)c1)c1ccccc1 ZINC000021798468 171325036 /nfs/dbraw/zinc/32/50/36/171325036.db2.gz KUUBBFUDQYWACF-SFHVURJKSA-N 0 0 285.387 4.657 10 0 CJAERN Cc1cc(NC2CCCCCC2)ccc1Br ZINC000021798491 171325234 /nfs/dbraw/zinc/32/52/34/171325234.db2.gz TYAMYBCTFIJOKV-UHFFFAOYSA-N 0 0 282.225 4.892 10 0 CJAERN Cc1cc(F)ccc1N[C@@H]1CCCc2ccccc21 ZINC000021798784 171325462 /nfs/dbraw/zinc/32/54/62/171325462.db2.gz QBJMSVQDLAEGLK-QGZVFWFLSA-N 0 0 255.336 4.624 10 0 CJAERN Cc1cc(F)ccc1N[C@H]1CCCc2ccccc21 ZINC000021798788 171325443 /nfs/dbraw/zinc/32/54/43/171325443.db2.gz QBJMSVQDLAEGLK-KRWDZBQOSA-N 0 0 255.336 4.624 10 0 CJAERN Cc1ccc(OCc2ccccc2C)c(Br)c1 ZINC000021798803 171325464 /nfs/dbraw/zinc/32/54/64/171325464.db2.gz GPAYBLFAISYPLI-UHFFFAOYSA-N 0 0 291.188 4.645 10 0 CJAERN COc1ccc(NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000021798846 171325586 /nfs/dbraw/zinc/32/55/86/171325586.db2.gz QATQRGXHDMJCHD-UHFFFAOYSA-N 0 0 269.388 4.605 10 0 CJAERN Cc1cc(Cl)cc(C)c1Oc1ccc(N)cc1Cl ZINC000021798877 171325438 /nfs/dbraw/zinc/32/54/38/171325438.db2.gz WOPVRBHXRPCPNP-UHFFFAOYSA-N 0 0 282.170 4.985 10 0 CJAERN CCC[C@@H](Nc1ccccc1OC)c1ccccc1 ZINC000021799959 171325725 /nfs/dbraw/zinc/32/57/25/171325725.db2.gz MFLRRGXRAYZKLW-OAHLLOKOSA-N 0 0 255.361 4.649 10 0 CJAERN CCC[C@H](Nc1ccccc1OC)c1ccccc1 ZINC000021799962 171325650 /nfs/dbraw/zinc/32/56/50/171325650.db2.gz MFLRRGXRAYZKLW-HNNXBMFYSA-N 0 0 255.361 4.649 10 0 CJAERN CC(=O)c1ccccc1Sc1ccccc1Cl ZINC000021799998 171325692 /nfs/dbraw/zinc/32/56/92/171325692.db2.gz VXNGOPIPMFAQGO-UHFFFAOYSA-N 0 0 262.761 4.694 10 0 CJAERN C[C@@H](CCc1ccccc1)Nc1cccc(Cl)c1 ZINC000021800068 171325977 /nfs/dbraw/zinc/32/59/77/171325977.db2.gz JNUYNSIOPIMYRL-ZDUSSCGKSA-N 0 0 259.780 4.773 10 0 CJAERN C[C@H](CCc1ccccc1)Nc1cccc(Cl)c1 ZINC000021800071 171325998 /nfs/dbraw/zinc/32/59/98/171325998.db2.gz JNUYNSIOPIMYRL-CYBMUJFWSA-N 0 0 259.780 4.773 10 0 CJAERN Cc1ccc(N[C@H](c2ccco2)c2ccccc2)cc1F ZINC000021800124 171325652 /nfs/dbraw/zinc/32/56/52/171325652.db2.gz ITNRUBHKJPLWNV-SFHVURJKSA-N 0 0 281.330 4.929 10 0 CJAERN Cc1ccc(N[C@@H](c2ccco2)c2ccccc2)cc1F ZINC000021800127 171325690 /nfs/dbraw/zinc/32/56/90/171325690.db2.gz ITNRUBHKJPLWNV-GOSISDBHSA-N 0 0 281.330 4.929 10 0 CJAERN Cc1ccc(NCc2ccccc2OC(F)(F)F)cc1F ZINC000021800161 171325682 /nfs/dbraw/zinc/32/56/82/171325682.db2.gz ORGBORLPHOZUTA-UHFFFAOYSA-N 0 0 299.267 4.645 10 0 CJAERN FC1(F)Oc2ccc(NC3CCCCCCC3)cc2O1 ZINC000021800207 171325647 /nfs/dbraw/zinc/32/56/47/171325647.db2.gz HZPCEBNKNGWDTQ-UHFFFAOYSA-N 0 0 283.318 4.533 10 0 CJAERN C[C@@H](Nc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000021800238 171325821 /nfs/dbraw/zinc/32/58/21/171325821.db2.gz GSPQGLGWQSHQDK-CQSZACIVSA-N 0 0 251.373 4.739 10 0 CJAERN C[C@H](Nc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000021800240 171325895 /nfs/dbraw/zinc/32/58/95/171325895.db2.gz GSPQGLGWQSHQDK-AWEZNQCLSA-N 0 0 251.373 4.739 10 0 CJAERN CC(C)c1ccc([C@@H](C)Nc2ccc3c(c2)OCO3)cc1 ZINC000021800295 171325777 /nfs/dbraw/zinc/32/57/77/171325777.db2.gz XXDYWOLLONQFHL-CYBMUJFWSA-N 0 0 283.371 4.712 10 0 CJAERN CC(C)c1ccc([C@H](C)Nc2ccc3c(c2)OCO3)cc1 ZINC000021800298 171325988 /nfs/dbraw/zinc/32/59/88/171325988.db2.gz XXDYWOLLONQFHL-ZDUSSCGKSA-N 0 0 283.371 4.712 10 0 CJAERN C[C@@H](Nc1cccc(Cl)c1)c1ccc(F)c(F)c1 ZINC000021800483 171325644 /nfs/dbraw/zinc/32/56/44/171325644.db2.gz UAQXANBQESUXHW-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1cccc(Cl)c1)c1ccc(F)c(F)c1 ZINC000021800485 171325897 /nfs/dbraw/zinc/32/58/97/171325897.db2.gz UAQXANBQESUXHW-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN C[C@@H]1CCCC[C@@H]1Nc1ccccc1OC(F)(F)F ZINC000021800515 171325968 /nfs/dbraw/zinc/32/59/68/171325968.db2.gz RHOVPMZAUUPVHO-MNOVXSKESA-N 0 0 273.298 4.576 10 0 CJAERN C[C@H]1CCCC[C@@H]1Nc1ccccc1OC(F)(F)F ZINC000021800517 171325709 /nfs/dbraw/zinc/32/57/09/171325709.db2.gz RHOVPMZAUUPVHO-QWRGUYRKSA-N 0 0 273.298 4.576 10 0 CJAERN C[C@@H]1CCCC[C@H]1Nc1ccccc1OC(F)(F)F ZINC000021800520 171325755 /nfs/dbraw/zinc/32/57/55/171325755.db2.gz RHOVPMZAUUPVHO-GHMZBOCLSA-N 0 0 273.298 4.576 10 0 CJAERN C[C@H]1CCCC[C@H]1Nc1ccccc1OC(F)(F)F ZINC000021800522 171325963 /nfs/dbraw/zinc/32/59/63/171325963.db2.gz RHOVPMZAUUPVHO-WDEREUQCSA-N 0 0 273.298 4.576 10 0 CJAERN CCOC(=O)c1cnc2ccc([C@@H](C)CC)cc2c1Cl ZINC000021800577 171325920 /nfs/dbraw/zinc/32/59/20/171325920.db2.gz GWKDSVRHARZTGT-JTQLQIEISA-N 0 0 291.778 4.578 10 0 CJAERN CCOC(=O)c1cnc2ccc([C@H](C)CC)cc2c1Cl ZINC000021800578 171325995 /nfs/dbraw/zinc/32/59/95/171325995.db2.gz GWKDSVRHARZTGT-SNVBAGLBSA-N 0 0 291.778 4.578 10 0 CJAERN Cc1ccsc1CNc1cc(Cl)ccc1C ZINC000021800779 171325982 /nfs/dbraw/zinc/32/59/82/171325982.db2.gz WHAPIKSWTVMHMU-UHFFFAOYSA-N 0 0 251.782 4.630 10 0 CJAERN COc1ccc(CNc2cccc(Cl)c2Cl)cc1 ZINC000021800847 171325756 /nfs/dbraw/zinc/32/57/56/171325756.db2.gz DGZLOAGBQIJVSF-UHFFFAOYSA-N 0 0 282.170 4.614 10 0 CJAERN CC(C)c1cccc(N[C@@H](C)c2ccc(O)cc2)c1 ZINC000021800862 171325912 /nfs/dbraw/zinc/32/59/12/171325912.db2.gz IMACWDXZVJSRCY-ZDUSSCGKSA-N 0 0 255.361 4.689 10 0 CJAERN CC(C)c1cccc(N[C@H](C)c2ccc(O)cc2)c1 ZINC000021800865 171325804 /nfs/dbraw/zinc/32/58/04/171325804.db2.gz IMACWDXZVJSRCY-CYBMUJFWSA-N 0 0 255.361 4.689 10 0 CJAERN C[C@@H](Nc1cccc2c1CCCC2)c1ccc(F)cc1 ZINC000021800945 171326287 /nfs/dbraw/zinc/32/62/87/171326287.db2.gz BMABZBFZYFRRNI-CYBMUJFWSA-N 0 0 269.363 4.878 10 0 CJAERN C[C@H](Nc1cccc2c1CCCC2)c1ccc(F)cc1 ZINC000021800947 171326179 /nfs/dbraw/zinc/32/61/79/171326179.db2.gz BMABZBFZYFRRNI-ZDUSSCGKSA-N 0 0 269.363 4.878 10 0 CJAERN CC[C@@H](Nc1cc(OC)cc(OC)c1)c1ccc(C)cc1 ZINC000021801381 171326302 /nfs/dbraw/zinc/32/63/02/171326302.db2.gz ONPSQSNEWBGNHR-GOSISDBHSA-N 0 0 285.387 4.575 10 0 CJAERN CC[C@H](Nc1cc(OC)cc(OC)c1)c1ccc(C)cc1 ZINC000021801384 171326027 /nfs/dbraw/zinc/32/60/27/171326027.db2.gz ONPSQSNEWBGNHR-SFHVURJKSA-N 0 0 285.387 4.575 10 0 CJAERN CCc1cccc(Oc2ccc(C(F)(F)F)cc2N)c1 ZINC000021801577 171326177 /nfs/dbraw/zinc/32/61/77/171326177.db2.gz AOUMXDZMWKGFTB-UHFFFAOYSA-N 0 0 281.277 4.642 10 0 CJAERN CC(C)(C)c1ccc(CNc2ccc(F)cc2F)cc1 ZINC000021801587 171326214 /nfs/dbraw/zinc/32/62/14/171326214.db2.gz IFOZFLGPBXWOAG-UHFFFAOYSA-N 0 0 275.342 4.874 10 0 CJAERN Nc1ccc(Sc2ccccc2F)cc1C(F)(F)F ZINC000021801590 171326299 /nfs/dbraw/zinc/32/62/99/171326299.db2.gz DVUCRHJMOVLCAV-UHFFFAOYSA-N 0 0 287.281 4.578 10 0 CJAERN CCCC(CCC)Nc1cccc(Br)c1 ZINC000021801715 171326153 /nfs/dbraw/zinc/32/61/53/171326153.db2.gz NAQMYKMJKQMESD-UHFFFAOYSA-N 0 0 270.214 4.830 10 0 CJAERN CCC[C@@H](Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000021802290 171326433 /nfs/dbraw/zinc/32/64/33/171326433.db2.gz USPRPHFBHLKHPD-MRXNPFEDSA-N 0 0 261.315 4.918 10 0 CJAERN CCC[C@H](Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000021802293 171326395 /nfs/dbraw/zinc/32/63/95/171326395.db2.gz USPRPHFBHLKHPD-INIZCTEOSA-N 0 0 261.315 4.918 10 0 CJAERN Nc1cc(F)ccc1Oc1ccc(Cl)cc1Cl ZINC000021803161 184536332 /nfs/dbraw/zinc/53/63/32/184536332.db2.gz OFLOAOWDKZDACV-UHFFFAOYSA-N 0 0 272.106 4.507 10 0 CJAERN CC(C)CC(CC(C)C)Nc1ccc(F)c(F)c1F ZINC000021803537 171326531 /nfs/dbraw/zinc/32/65/31/171326531.db2.gz ICEDAASVCXBMKM-UHFFFAOYSA-N 0 0 273.342 4.977 10 0 CJAERN C[C@@H](Nc1ccccc1F)C12CC3CC(CC(C3)C1)C2 ZINC000021803658 171326903 /nfs/dbraw/zinc/32/69/03/171326903.db2.gz QGZITKAIGLQVRK-QLFDAEIZSA-N 0 0 273.395 4.843 10 0 CJAERN C[C@H](Nc1ccccc1F)C12CC3CC(CC(C3)C1)C2 ZINC000021803661 171326617 /nfs/dbraw/zinc/32/66/17/171326617.db2.gz QGZITKAIGLQVRK-IHWZXDPASA-N 0 0 273.395 4.843 10 0 CJAERN CCC[C@@H](C)Nc1ccc(-c2csc(C)n2)cc1 ZINC000021803816 171326891 /nfs/dbraw/zinc/32/68/91/171326891.db2.gz VQBYEBXMGBKCMU-LLVKDONJSA-N 0 0 260.406 4.719 10 0 CJAERN CCC[C@H](C)Nc1ccc(-c2csc(C)n2)cc1 ZINC000021803817 171326833 /nfs/dbraw/zinc/32/68/33/171326833.db2.gz VQBYEBXMGBKCMU-NSHDSACASA-N 0 0 260.406 4.719 10 0 CJAERN Cc1ccc(F)cc1N[C@H](C)c1cccc(Cl)c1 ZINC000021803909 171326596 /nfs/dbraw/zinc/32/65/96/171326596.db2.gz YRXIWXUHQCLLBW-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(F)cc1N[C@@H](C)c1cccc(Cl)c1 ZINC000021803912 171326688 /nfs/dbraw/zinc/32/66/88/171326688.db2.gz YRXIWXUHQCLLBW-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN CC[C@@H](C)CNc1ccc(-c2csc(C)n2)cc1 ZINC000021803993 171326503 /nfs/dbraw/zinc/32/65/03/171326503.db2.gz KBUPZXGGJHCZEX-LLVKDONJSA-N 0 0 260.406 4.577 10 0 CJAERN CC[C@H](C)CNc1ccc(-c2csc(C)n2)cc1 ZINC000021803995 171326904 /nfs/dbraw/zinc/32/69/04/171326904.db2.gz KBUPZXGGJHCZEX-NSHDSACASA-N 0 0 260.406 4.577 10 0 CJAERN CC(C)(C)c1ccc(CNc2ccccc2F)cc1 ZINC000021804016 171326702 /nfs/dbraw/zinc/32/67/02/171326702.db2.gz UTTSCOFOPUCMMW-UHFFFAOYSA-N 0 0 257.352 4.735 10 0 CJAERN CC[C@@H](Nc1cccc2cccnc21)c1ccccc1 ZINC000021804091 171326846 /nfs/dbraw/zinc/32/68/46/171326846.db2.gz TUJYLGJOWJZTMH-MRXNPFEDSA-N 0 0 262.356 4.798 10 0 CJAERN CC[C@H](Nc1cccc2cccnc21)c1ccccc1 ZINC000021804094 171326595 /nfs/dbraw/zinc/32/65/95/171326595.db2.gz TUJYLGJOWJZTMH-INIZCTEOSA-N 0 0 262.356 4.798 10 0 CJAERN CCc1ccc(N[C@@H]2CCSc3ccccc32)cc1 ZINC000021804149 171326786 /nfs/dbraw/zinc/32/67/86/171326786.db2.gz ZJKRDXYNAOFHGW-MRXNPFEDSA-N 0 0 269.413 4.898 10 0 CJAERN CCc1ccc(N[C@H]2CCSc3ccccc32)cc1 ZINC000021804152 171326761 /nfs/dbraw/zinc/32/67/61/171326761.db2.gz ZJKRDXYNAOFHGW-INIZCTEOSA-N 0 0 269.413 4.898 10 0 CJAERN CCCc1ccc([C@@H](C)Nc2ccccc2F)cc1 ZINC000021804501 171326801 /nfs/dbraw/zinc/32/68/01/171326801.db2.gz HAUVBDSMUUMYRA-CYBMUJFWSA-N 0 0 257.352 4.951 10 0 CJAERN CCCc1ccc([C@H](C)Nc2ccccc2F)cc1 ZINC000021804504 171326795 /nfs/dbraw/zinc/32/67/95/171326795.db2.gz HAUVBDSMUUMYRA-ZDUSSCGKSA-N 0 0 257.352 4.951 10 0 CJAERN CC[C@@H](Nc1cc(C)ccc1OC)c1ccccc1 ZINC000021804640 171327042 /nfs/dbraw/zinc/32/70/42/171327042.db2.gz DYKKCVGJACQTOU-OAHLLOKOSA-N 0 0 255.361 4.567 10 0 CJAERN CC[C@H](Nc1cc(C)ccc1OC)c1ccccc1 ZINC000021804641 171327182 /nfs/dbraw/zinc/32/71/82/171327182.db2.gz DYKKCVGJACQTOU-HNNXBMFYSA-N 0 0 255.361 4.567 10 0 CJAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(Cl)cc1N ZINC000021804704 171326989 /nfs/dbraw/zinc/32/69/89/171326989.db2.gz VBABJXCKNURMNI-FFSVYQOJSA-N 0 0 281.827 4.762 10 0 CJAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(Cl)cc1N ZINC000021804707 171327229 /nfs/dbraw/zinc/32/72/29/171327229.db2.gz VBABJXCKNURMNI-KFNAQCHYSA-N 0 0 281.827 4.762 10 0 CJAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccc(Cl)cc1N ZINC000021804710 171327218 /nfs/dbraw/zinc/32/72/18/171327218.db2.gz VBABJXCKNURMNI-RBOXIYTFSA-N 0 0 281.827 4.762 10 0 CJAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(Cl)cc1N ZINC000021804713 171327000 /nfs/dbraw/zinc/32/70/00/171327000.db2.gz VBABJXCKNURMNI-GHJWDPDVSA-N 0 0 281.827 4.762 10 0 CJAERN COc1ccc2cc(CNc3cccc(F)c3)ccc2c1 ZINC000021804759 171327212 /nfs/dbraw/zinc/32/72/12/171327212.db2.gz RWNVYIYYDODYEK-UHFFFAOYSA-N 0 0 281.330 4.600 10 0 CJAERN Clc1nc(C2CCCCC2)nc2sc3c(c21)CCC3 ZINC000021804831 171326950 /nfs/dbraw/zinc/32/69/50/171326950.db2.gz FXFLGIZZQMRRFB-UHFFFAOYSA-N 0 0 292.835 4.881 10 0 CJAERN Cc1ccc(CNc2ccccc2OC(F)(F)F)c(C)c1 ZINC000021804858 171326992 /nfs/dbraw/zinc/32/69/92/171326992.db2.gz FTSLZTKYQZRQRV-UHFFFAOYSA-N 0 0 295.304 4.814 10 0 CJAERN Cc1cc(Br)ccc1N[C@H](C)CC(C)C ZINC000021804938 171326945 /nfs/dbraw/zinc/32/69/45/171326945.db2.gz SYRJNNYNHJYORV-LLVKDONJSA-N 0 0 270.214 4.604 10 0 CJAERN Cc1cc(Br)ccc1N[C@@H](C)CC(C)C ZINC000021804941 171327146 /nfs/dbraw/zinc/32/71/46/171327146.db2.gz SYRJNNYNHJYORV-NSHDSACASA-N 0 0 270.214 4.604 10 0 CJAERN CCCc1ccc(NCc2cccc(Cl)c2)cc1 ZINC000021804995 171326975 /nfs/dbraw/zinc/32/69/75/171326975.db2.gz CZGPGBOGXBMSGN-UHFFFAOYSA-N 0 0 259.780 4.905 10 0 CJAERN c1ccc2c(c1)CC[C@H]2Nc1cccc2c1CCCC2 ZINC000021805085 171327086 /nfs/dbraw/zinc/32/70/86/171327086.db2.gz NTAIEUKQTMXVGO-LJQANCHMSA-N 0 0 263.384 4.665 10 0 CJAERN c1ccc2c(c1)CC[C@@H]2Nc1cccc2c1CCCC2 ZINC000021805088 171327120 /nfs/dbraw/zinc/32/71/20/171327120.db2.gz NTAIEUKQTMXVGO-IBGZPJMESA-N 0 0 263.384 4.665 10 0 CJAERN Cc1cc(C=O)c(C)n1[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000021805251 171327036 /nfs/dbraw/zinc/32/70/36/171327036.db2.gz ZERVDYSQYIETJB-DGTBMVLOSA-N 0 0 285.431 4.695 10 0 CJAERN Cc1cc(C=O)c(C)n1[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000021805254 171327129 /nfs/dbraw/zinc/32/71/29/171327129.db2.gz ZERVDYSQYIETJB-ISOUWHGUSA-N 0 0 285.431 4.695 10 0 CJAERN CC[C@@H](C)c1ccccc1OCc1ccc(Cl)nc1 ZINC000021805304 171327034 /nfs/dbraw/zinc/32/70/34/171327034.db2.gz LZGMSVDMWLSZJO-GFCCVEGCSA-N 0 0 275.779 4.828 10 0 CJAERN CC[C@H](C)c1ccccc1OCc1ccc(Cl)nc1 ZINC000021805306 171326961 /nfs/dbraw/zinc/32/69/61/171326961.db2.gz LZGMSVDMWLSZJO-LBPRGKRZSA-N 0 0 275.779 4.828 10 0 CJAERN CC(C)C[C@@H](Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000021805347 171327082 /nfs/dbraw/zinc/32/70/82/171327082.db2.gz YRLQBJORXHKDIH-MRXNPFEDSA-N 0 0 283.371 4.615 10 0 CJAERN CC(C)C[C@H](Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000021805350 171326990 /nfs/dbraw/zinc/32/69/90/171326990.db2.gz YRLQBJORXHKDIH-INIZCTEOSA-N 0 0 283.371 4.615 10 0 CJAERN C[C@@H]1CCCC[C@@H]1Nc1ccc(Br)cc1F ZINC000021805399 171327319 /nfs/dbraw/zinc/32/73/19/171327319.db2.gz IWOAJYKSQIJEOB-SKDRFNHKSA-N 0 0 286.188 4.579 10 0 CJAERN C[C@H]1CCCC[C@@H]1Nc1ccc(Br)cc1F ZINC000021805401 171327415 /nfs/dbraw/zinc/32/74/15/171327415.db2.gz IWOAJYKSQIJEOB-CABZTGNLSA-N 0 0 286.188 4.579 10 0 CJAERN C[C@@H]1CCCC[C@H]1Nc1ccc(Br)cc1F ZINC000021805404 171327312 /nfs/dbraw/zinc/32/73/12/171327312.db2.gz IWOAJYKSQIJEOB-BXKDBHETSA-N 0 0 286.188 4.579 10 0 CJAERN C[C@H]1CCCC[C@H]1Nc1ccc(Br)cc1F ZINC000021805406 171327637 /nfs/dbraw/zinc/32/76/37/171327637.db2.gz IWOAJYKSQIJEOB-JOYOIKCWSA-N 0 0 286.188 4.579 10 0 CJAERN CCC[C@@H](Nc1ccc(F)cc1F)c1ccccc1 ZINC000021805564 171327310 /nfs/dbraw/zinc/32/73/10/171327310.db2.gz MSPIRMXISMZBFH-OAHLLOKOSA-N 0 0 261.315 4.918 10 0 CJAERN CCC[C@H](Nc1ccc(F)cc1F)c1ccccc1 ZINC000021805566 171327535 /nfs/dbraw/zinc/32/75/35/171327535.db2.gz MSPIRMXISMZBFH-HNNXBMFYSA-N 0 0 261.315 4.918 10 0 CJAERN FC(F)(F)c1ccc(CNc2cccc(Cl)c2)cc1 ZINC000021805577 171327383 /nfs/dbraw/zinc/32/73/83/171327383.db2.gz ASPMLQSYWVGVFW-UHFFFAOYSA-N 0 0 285.696 4.971 10 0 CJAERN Cc1ccc(N[C@H](C)c2ccccc2)c(Br)c1 ZINC000021805647 171327571 /nfs/dbraw/zinc/32/75/71/171327571.db2.gz JRQCQGPEDWFEKM-GFCCVEGCSA-N 0 0 290.204 4.931 10 0 CJAERN Cc1ccc(N[C@@H](C)c2ccccc2)c(Br)c1 ZINC000021805649 171327372 /nfs/dbraw/zinc/32/73/72/171327372.db2.gz JRQCQGPEDWFEKM-LBPRGKRZSA-N 0 0 290.204 4.931 10 0 CJAERN Nc1cc(Cl)ccc1Sc1ccccc1Cl ZINC000021805700 171327295 /nfs/dbraw/zinc/32/72/95/171327295.db2.gz UIGVHBGEJXZRSJ-UHFFFAOYSA-N 0 0 270.184 4.727 10 0 CJAERN CC[C@@H](Nc1ccc(F)cc1C)c1ccc(F)cc1 ZINC000021805752 171327421 /nfs/dbraw/zinc/32/74/21/171327421.db2.gz DDZLJOWZEOWUOZ-OAHLLOKOSA-N 0 0 261.315 4.836 10 0 CJAERN CC[C@H](Nc1ccc(F)cc1C)c1ccc(F)cc1 ZINC000021805755 171327305 /nfs/dbraw/zinc/32/73/05/171327305.db2.gz DDZLJOWZEOWUOZ-HNNXBMFYSA-N 0 0 261.315 4.836 10 0 CJAERN CCc1ccc(CNc2ccccc2C(F)(F)F)cc1 ZINC000021805849 171327604 /nfs/dbraw/zinc/32/76/04/171327604.db2.gz HMZLMHBZWVQZSU-UHFFFAOYSA-N 0 0 279.305 4.880 10 0 CJAERN COc1ccc(C)cc1N[C@@H](C)c1cc(C)ccc1C ZINC000021806233 171327494 /nfs/dbraw/zinc/32/74/94/171327494.db2.gz GEZUFNIDVQMGET-HNNXBMFYSA-N 0 0 269.388 4.794 10 0 CJAERN COc1ccc(C)cc1N[C@H](C)c1cc(C)ccc1C ZINC000021806235 171327332 /nfs/dbraw/zinc/32/73/32/171327332.db2.gz GEZUFNIDVQMGET-OAHLLOKOSA-N 0 0 269.388 4.794 10 0 CJAERN Cc1cc(Cl)ccc1Oc1c(N)cccc1Cl ZINC000021806300 171327468 /nfs/dbraw/zinc/32/74/68/171327468.db2.gz KPSIVXPVUXJJJZ-UHFFFAOYSA-N 0 0 268.143 4.676 10 0 CJAERN COc1cc(Cl)c(C)cc1NCc1ccccc1C ZINC000021806606 171327962 /nfs/dbraw/zinc/32/79/62/171327962.db2.gz HNSFQQGCLGHYAC-UHFFFAOYSA-N 0 0 275.779 4.578 10 0 CJAERN CCCOc1ccc([C@@H](C)Nc2ccc(C)cc2)cc1 ZINC000021806664 171327776 /nfs/dbraw/zinc/32/77/76/171327776.db2.gz ZDGJRPPAMFDEQO-OAHLLOKOSA-N 0 0 269.388 4.957 10 0 CJAERN CCCOc1ccc([C@H](C)Nc2ccc(C)cc2)cc1 ZINC000021806666 171328042 /nfs/dbraw/zinc/32/80/42/171328042.db2.gz ZDGJRPPAMFDEQO-HNNXBMFYSA-N 0 0 269.388 4.957 10 0 CJAERN Cc1cc(Cl)ccc1N[C@H](C)c1ccccc1F ZINC000021806674 171327843 /nfs/dbraw/zinc/32/78/43/171327843.db2.gz YSLZGVQACGOXLI-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1cc(Cl)ccc1N[C@@H](C)c1ccccc1F ZINC000021806677 171327775 /nfs/dbraw/zinc/32/77/75/171327775.db2.gz YSLZGVQACGOXLI-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN C[C@@H](Nc1cccc2c1CCCC2)c1ccccc1F ZINC000021806713 171327944 /nfs/dbraw/zinc/32/79/44/171327944.db2.gz NGILCPFPYTZNMJ-CYBMUJFWSA-N 0 0 269.363 4.878 10 0 CJAERN C[C@H](Nc1cccc2c1CCCC2)c1ccccc1F ZINC000021806716 171327730 /nfs/dbraw/zinc/32/77/30/171327730.db2.gz NGILCPFPYTZNMJ-ZDUSSCGKSA-N 0 0 269.363 4.878 10 0 CJAERN CSc1ccc(CNc2ccc(C)c(Cl)c2)cc1 ZINC000021806723 171327934 /nfs/dbraw/zinc/32/79/34/171327934.db2.gz WQZIOYNXBNVPMP-UHFFFAOYSA-N 0 0 277.820 4.982 10 0 CJAERN C[C@@H]1CCCC[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000021806775 171327784 /nfs/dbraw/zinc/32/77/84/171327784.db2.gz TUCVMRQUQXNFPT-KCJUWKMLSA-N 0 0 292.732 4.744 10 0 CJAERN C[C@H]1CCCC[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000021806777 171327914 /nfs/dbraw/zinc/32/79/14/171327914.db2.gz TUCVMRQUQXNFPT-KWQFWETISA-N 0 0 292.732 4.744 10 0 CJAERN C[C@@H]1CCCC[C@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000021806780 171328024 /nfs/dbraw/zinc/32/80/24/171328024.db2.gz TUCVMRQUQXNFPT-LDYMZIIASA-N 0 0 292.732 4.744 10 0 CJAERN C[C@H]1CCCC[C@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000021806782 171327902 /nfs/dbraw/zinc/32/79/02/171327902.db2.gz TUCVMRQUQXNFPT-GZMMTYOYSA-N 0 0 292.732 4.744 10 0 CJAERN Fc1ccc(CNc2ccccc2Cl)c(Cl)c1 ZINC000021806813 171327892 /nfs/dbraw/zinc/32/78/92/171327892.db2.gz DXLDXTBSFJQFAC-UHFFFAOYSA-N 0 0 270.134 4.745 10 0 CJAERN Cc1ccc([C@@H](C)Nc2cc(F)ccc2F)c(C)c1 ZINC000021806868 171327978 /nfs/dbraw/zinc/32/79/78/171327978.db2.gz LYGRGIYEFVNLDN-GFCCVEGCSA-N 0 0 261.315 4.755 10 0 CJAERN Cc1ccc([C@H](C)Nc2cc(F)ccc2F)c(C)c1 ZINC000021806869 171327792 /nfs/dbraw/zinc/32/77/92/171327792.db2.gz LYGRGIYEFVNLDN-LBPRGKRZSA-N 0 0 261.315 4.755 10 0 CJAERN Cc1cc(NC2CCCCC2)ccc1Br ZINC000021807013 171327801 /nfs/dbraw/zinc/32/78/01/171327801.db2.gz AFSJBVZCTRKSFJ-UHFFFAOYSA-N 0 0 268.198 4.502 10 0 CJAERN CCc1ccc(N[C@H](CC)c2ccc(OC)cc2)cc1 ZINC000021807022 171327937 /nfs/dbraw/zinc/32/79/37/171327937.db2.gz ISFUKWNAEYXFQJ-GOSISDBHSA-N 0 0 269.388 4.821 10 0 CJAERN CCc1ccc(N[C@@H](CC)c2ccc(OC)cc2)cc1 ZINC000021807025 171327853 /nfs/dbraw/zinc/32/78/53/171327853.db2.gz ISFUKWNAEYXFQJ-SFHVURJKSA-N 0 0 269.388 4.821 10 0 CJAERN CCOc1ccccc1N[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000021807081 171327960 /nfs/dbraw/zinc/32/79/60/171327960.db2.gz DFSHCZBDQPCJSX-ZIAGYGMSSA-N 0 0 261.409 4.712 10 0 CJAERN CCOc1ccccc1N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000021807084 171327932 /nfs/dbraw/zinc/32/79/32/171327932.db2.gz DFSHCZBDQPCJSX-KGLIPLIRSA-N 0 0 261.409 4.712 10 0 CJAERN CCOc1ccccc1N[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000021807087 171327961 /nfs/dbraw/zinc/32/79/61/171327961.db2.gz DFSHCZBDQPCJSX-UONOGXRCSA-N 0 0 261.409 4.712 10 0 CJAERN CCOc1ccccc1N[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000021807089 171327918 /nfs/dbraw/zinc/32/79/18/171327918.db2.gz DFSHCZBDQPCJSX-KBPBESRZSA-N 0 0 261.409 4.712 10 0 CJAERN Cc1ccc(C)c(Sc2ccc(N)cc2Cl)c1 ZINC000021807260 171327847 /nfs/dbraw/zinc/32/78/47/171327847.db2.gz GLDIGPGFVCWGIJ-UHFFFAOYSA-N 0 0 263.793 4.690 10 0 CJAERN COc1ccc(NC[C@@H](C)c2ccccc2)cc1Cl ZINC000021807281 171327795 /nfs/dbraw/zinc/32/77/95/171327795.db2.gz JXBWNZPUCRDBLJ-GFCCVEGCSA-N 0 0 275.779 4.564 10 0 CJAERN COc1ccc(NC[C@H](C)c2ccccc2)cc1Cl ZINC000021807284 171327905 /nfs/dbraw/zinc/32/79/05/171327905.db2.gz JXBWNZPUCRDBLJ-LBPRGKRZSA-N 0 0 275.779 4.564 10 0 CJAERN CCOc1ccc(OCC)c(NC2CCCCCC2)c1 ZINC000021807291 171328023 /nfs/dbraw/zinc/32/80/23/171328023.db2.gz CLBKFMGDOMSODE-UHFFFAOYSA-N 0 0 277.408 4.619 10 0 CJAERN CC(=O)c1ccccc1Oc1ccc(C(C)C)cc1 ZINC000021807428 171327939 /nfs/dbraw/zinc/32/79/39/171327939.db2.gz UACMAAYNGFGFJI-UHFFFAOYSA-N 0 0 254.329 4.805 10 0 CJAERN CCC(CC)Nc1cc(C(F)(F)F)ccc1Cl ZINC000021807472 171328324 /nfs/dbraw/zinc/32/83/24/171328324.db2.gz QXQGPHLOTABIPF-UHFFFAOYSA-N 0 0 265.706 4.959 10 0 CJAERN Cc1cc(C)c(CNc2cccc3cccnc32)c(C)c1 ZINC000021807486 171328389 /nfs/dbraw/zinc/32/83/89/171328389.db2.gz XWXWMLFCQXWMKX-UHFFFAOYSA-N 0 0 276.383 4.772 10 0 CJAERN CC[C@@H](Nc1ccccc1OC)c1cccc(Cl)c1 ZINC000021807527 171328136 /nfs/dbraw/zinc/32/81/36/171328136.db2.gz QXYPBTVUPNOBBB-CQSZACIVSA-N 0 0 275.779 4.912 10 0 CJAERN CC[C@H](Nc1ccccc1OC)c1cccc(Cl)c1 ZINC000021807529 171328287 /nfs/dbraw/zinc/32/82/87/171328287.db2.gz QXYPBTVUPNOBBB-AWEZNQCLSA-N 0 0 275.779 4.912 10 0 CJAERN Cc1cc(Cl)cc(C)c1Oc1ccc(C=O)cc1 ZINC000021807567 171328310 /nfs/dbraw/zinc/32/83/10/171328310.db2.gz IDCLXTWSGACPHG-UHFFFAOYSA-N 0 0 260.720 4.562 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc(F)c(F)c2F)cc1 ZINC000021807577 171328252 /nfs/dbraw/zinc/32/82/52/171328252.db2.gz FLCJRCBIYLCSPR-SNVBAGLBSA-N 0 0 265.278 4.585 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc(F)c(F)c2F)cc1 ZINC000021807579 171328184 /nfs/dbraw/zinc/32/81/84/171328184.db2.gz FLCJRCBIYLCSPR-JTQLQIEISA-N 0 0 265.278 4.585 10 0 CJAERN CCOc1ccc(N[C@@H]2CCCc3ccccc32)cc1 ZINC000021807670 171328446 /nfs/dbraw/zinc/32/84/46/171328446.db2.gz LCWLVHFGGXYRQX-GOSISDBHSA-N 0 0 267.372 4.575 10 0 CJAERN CCOc1ccc(N[C@H]2CCCc3ccccc32)cc1 ZINC000021807673 171328431 /nfs/dbraw/zinc/32/84/31/171328431.db2.gz LCWLVHFGGXYRQX-SFHVURJKSA-N 0 0 267.372 4.575 10 0 CJAERN CSc1cccc(NCc2ccc(F)cc2Cl)c1 ZINC000021807684 171328126 /nfs/dbraw/zinc/32/81/26/171328126.db2.gz CSMJMMOJAHOCLM-UHFFFAOYSA-N 0 0 281.783 4.813 10 0 CJAERN COc1cccc(N[C@@H]2CCCCc3ccccc32)c1 ZINC000021807742 171328150 /nfs/dbraw/zinc/32/81/50/171328150.db2.gz YKDZGEFFZOWXDN-GOSISDBHSA-N 0 0 267.372 4.575 10 0 CJAERN COc1cccc(N[C@H]2CCCCc3ccccc32)c1 ZINC000021807745 171328204 /nfs/dbraw/zinc/32/82/04/171328204.db2.gz YKDZGEFFZOWXDN-SFHVURJKSA-N 0 0 267.372 4.575 10 0 CJAERN C[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 ZINC000021807766 171328379 /nfs/dbraw/zinc/32/83/79/171328379.db2.gz ISVJXPLGTKVPRX-SNVBAGLBSA-N 0 0 299.267 4.897 10 0 CJAERN C[C@H](Nc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 ZINC000021807769 171328185 /nfs/dbraw/zinc/32/81/85/171328185.db2.gz ISVJXPLGTKVPRX-JTQLQIEISA-N 0 0 299.267 4.897 10 0 CJAERN Nc1cccc(Cl)c1Sc1ccc(Cl)cc1 ZINC000021807790 171328387 /nfs/dbraw/zinc/32/83/87/171328387.db2.gz FRFAYOZBRZZCJZ-UHFFFAOYSA-N 0 0 270.184 4.727 10 0 CJAERN COc1cccc(N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000021807885 171328388 /nfs/dbraw/zinc/32/83/88/171328388.db2.gz WRBBDOZAUVQIFZ-IWUURBKTSA-N 0 0 285.431 4.712 10 0 CJAERN COc1cccc(N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000021807888 171328182 /nfs/dbraw/zinc/32/81/82/171328182.db2.gz WRBBDOZAUVQIFZ-PGBRGIIUSA-N 0 0 285.431 4.712 10 0 CJAERN Cc1ccsc1CNc1cc(Cl)cc(Cl)c1 ZINC000021807918 171328120 /nfs/dbraw/zinc/32/81/20/171328120.db2.gz JDSBSOIUXFJFBK-UHFFFAOYSA-N 0 0 272.200 4.975 10 0 CJAERN Nc1cc(Cl)ccc1SCc1ccccc1Cl ZINC000021808150 171328283 /nfs/dbraw/zinc/32/82/83/171328283.db2.gz QKUMBPLDLQAQKT-UHFFFAOYSA-N 0 0 284.211 4.868 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc(F)c(F)c2F)cc1C ZINC000021808268 171328373 /nfs/dbraw/zinc/32/83/73/171328373.db2.gz RISUGXCNRUTJTO-LLVKDONJSA-N 0 0 279.305 4.894 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc(F)c(F)c2F)cc1C ZINC000021808270 171328230 /nfs/dbraw/zinc/32/82/30/171328230.db2.gz RISUGXCNRUTJTO-NSHDSACASA-N 0 0 279.305 4.894 10 0 CJAERN CCOc1ccccc1CNc1cccc2ccccc21 ZINC000021808937 171328736 /nfs/dbraw/zinc/32/87/36/171328736.db2.gz RPEMGGGAUOHLBO-UHFFFAOYSA-N 0 0 277.367 4.851 10 0 CJAERN C[C@@H](Nc1ccc2oc3ccccc3c2c1)C1CC1 ZINC000021808994 171328504 /nfs/dbraw/zinc/32/85/04/171328504.db2.gz SUBVYWGURINSRN-LLVKDONJSA-N 0 0 251.329 4.796 10 0 CJAERN C[C@H](Nc1ccc2oc3ccccc3c2c1)C1CC1 ZINC000021808996 171328728 /nfs/dbraw/zinc/32/87/28/171328728.db2.gz SUBVYWGURINSRN-NSHDSACASA-N 0 0 251.329 4.796 10 0 CJAERN CC[C@@H](Nc1cccc(OC)c1)c1ccc(Cl)cc1 ZINC000021809265 171328552 /nfs/dbraw/zinc/32/85/52/171328552.db2.gz MKWISMSQOAPIQT-MRXNPFEDSA-N 0 0 275.779 4.912 10 0 CJAERN CC[C@H](Nc1cccc(OC)c1)c1ccc(Cl)cc1 ZINC000021809267 171328700 /nfs/dbraw/zinc/32/87/00/171328700.db2.gz MKWISMSQOAPIQT-INIZCTEOSA-N 0 0 275.779 4.912 10 0 CJAERN Cc1cc(Cl)cc(C)c1Oc1ccccc1C=O ZINC000021809305 171328659 /nfs/dbraw/zinc/32/86/59/171328659.db2.gz UYFIHKYMPSPYBD-UHFFFAOYSA-N 0 0 260.720 4.562 10 0 CJAERN Cc1ccc(NCc2ccc(C(C)C)cc2)cc1F ZINC000021809307 171328713 /nfs/dbraw/zinc/32/87/13/171328713.db2.gz KJOQMBUMCOLORP-UHFFFAOYSA-N 0 0 257.352 4.870 10 0 CJAERN O=Cc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1 ZINC000021809406 171328599 /nfs/dbraw/zinc/32/85/99/171328599.db2.gz VTKDJANQLBTLQR-UHFFFAOYSA-N 0 0 285.101 4.737 10 0 CJAERN Cc1cc(C)c([C@@H](C)Nc2ccccc2F)cc1C ZINC000021809455 171328624 /nfs/dbraw/zinc/32/86/24/171328624.db2.gz NGOQURHBDMSDLH-CQSZACIVSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1cc(C)c([C@H](C)Nc2ccccc2F)cc1C ZINC000021809457 171328739 /nfs/dbraw/zinc/32/87/39/171328739.db2.gz NGOQURHBDMSDLH-AWEZNQCLSA-N 0 0 257.352 4.924 10 0 CJAERN CC[C@@H](C)C[C@@H](CC)Nc1cc(Cl)ccc1OC ZINC000021809622 171328733 /nfs/dbraw/zinc/32/87/33/171328733.db2.gz XNBFBIUBRWARDI-DGCLKSJQSA-N 0 0 269.816 4.975 10 0 CJAERN CC[C@H](C[C@@H](C)CC)Nc1cc(Cl)ccc1OC ZINC000021809625 171328498 /nfs/dbraw/zinc/32/84/98/171328498.db2.gz XNBFBIUBRWARDI-WCQYABFASA-N 0 0 269.816 4.975 10 0 CJAERN CC[C@@H](C)C[C@H](CC)Nc1cc(Cl)ccc1OC ZINC000021809628 171328720 /nfs/dbraw/zinc/32/87/20/171328720.db2.gz XNBFBIUBRWARDI-YPMHNXCESA-N 0 0 269.816 4.975 10 0 CJAERN CC[C@H](C)C[C@H](CC)Nc1cc(Cl)ccc1OC ZINC000021809630 171328569 /nfs/dbraw/zinc/32/85/69/171328569.db2.gz XNBFBIUBRWARDI-AAEUAGOBSA-N 0 0 269.816 4.975 10 0 CJAERN CC(=O)c1ccccc1Oc1ccc(Cl)cc1C ZINC000021809633 171328701 /nfs/dbraw/zinc/32/87/01/171328701.db2.gz UZOUWBCMQHNXAX-UHFFFAOYSA-N 0 0 260.720 4.643 10 0 CJAERN CNc1ccccc1-c1nc2cc(Cl)ccc2s1 ZINC000021809678 171328508 /nfs/dbraw/zinc/32/85/08/171328508.db2.gz RPBUJPRVZIDDSB-UHFFFAOYSA-N 0 0 274.776 4.658 10 0 CJAERN C[C@@H](Nc1ccccc1F)c1ccc(OC(F)(F)F)cc1 ZINC000021809745 171328679 /nfs/dbraw/zinc/32/86/79/171328679.db2.gz ZPMLJOMYSNUKBH-SNVBAGLBSA-N 0 0 299.267 4.897 10 0 CJAERN C[C@H](Nc1ccccc1F)c1ccc(OC(F)(F)F)cc1 ZINC000021809748 171328541 /nfs/dbraw/zinc/32/85/41/171328541.db2.gz ZPMLJOMYSNUKBH-JTQLQIEISA-N 0 0 299.267 4.897 10 0 CJAERN Cc1ccc(Cl)cc1N[C@H](C)c1cccs1 ZINC000021810374 171329058 /nfs/dbraw/zinc/32/90/58/171329058.db2.gz UZQHLYVJBRKPPZ-SNVBAGLBSA-N 0 0 251.782 4.883 10 0 CJAERN Cc1ccc(Cl)cc1N[C@@H](C)c1cccs1 ZINC000021810375 171328831 /nfs/dbraw/zinc/32/88/31/171328831.db2.gz UZQHLYVJBRKPPZ-JTQLQIEISA-N 0 0 251.782 4.883 10 0 CJAERN C[C@@H](Nc1cccc(Cl)c1Cl)c1cccc(O)c1 ZINC000021810428 171328920 /nfs/dbraw/zinc/32/89/20/171328920.db2.gz TWOATSSEFOSIDY-SECBINFHSA-N 0 0 282.170 4.872 10 0 CJAERN C[C@H](Nc1cccc(Cl)c1Cl)c1cccc(O)c1 ZINC000021810429 171328882 /nfs/dbraw/zinc/32/88/82/171328882.db2.gz TWOATSSEFOSIDY-VIFPVBQESA-N 0 0 282.170 4.872 10 0 CJAERN Cc1ccc(Sc2ccc(Cl)cc2N)cc1C ZINC000021810447 171328785 /nfs/dbraw/zinc/32/87/85/171328785.db2.gz AAKIAYGQMYNTJD-UHFFFAOYSA-N 0 0 263.793 4.690 10 0 CJAERN COc1cccc([C@@H](C)Nc2ccc(Cl)cc2C)c1 ZINC000021810463 171328883 /nfs/dbraw/zinc/32/88/83/171328883.db2.gz KVOJJJRCFYSJHN-GFCCVEGCSA-N 0 0 275.779 4.830 10 0 CJAERN COc1cccc([C@H](C)Nc2ccc(Cl)cc2C)c1 ZINC000021810465 171328864 /nfs/dbraw/zinc/32/88/64/171328864.db2.gz KVOJJJRCFYSJHN-LBPRGKRZSA-N 0 0 275.779 4.830 10 0 CJAERN Fc1cccc(NC2CCC(c3ccccc3)CC2)c1 ZINC000021810640 171328801 /nfs/dbraw/zinc/32/88/01/171328801.db2.gz BEPZEQMFVPSERS-UHFFFAOYSA-N 0 0 269.363 4.964 10 0 CJAERN Cc1cccc(NCc2ccc(F)cc2Cl)c1C ZINC000021810697 171328791 /nfs/dbraw/zinc/32/87/91/171328791.db2.gz OCVGVZPJHHYOMS-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2)C1 ZINC000021810709 171328911 /nfs/dbraw/zinc/32/89/11/171328911.db2.gz AAPJFXHRIVCXHE-ZWNOBZJWSA-N 0 0 257.299 4.696 10 0 CJAERN C[C@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2)C1 ZINC000021810711 171329064 /nfs/dbraw/zinc/32/90/64/171329064.db2.gz AAPJFXHRIVCXHE-GXFFZTMASA-N 0 0 257.299 4.696 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2ccc(C(F)(F)F)cc2)C1 ZINC000021810713 171329002 /nfs/dbraw/zinc/32/90/02/171329002.db2.gz AAPJFXHRIVCXHE-MFKMUULPSA-N 0 0 257.299 4.696 10 0 CJAERN C[C@H]1CCC[C@H](Nc2ccc(C(F)(F)F)cc2)C1 ZINC000021810714 171328799 /nfs/dbraw/zinc/32/87/99/171328799.db2.gz AAPJFXHRIVCXHE-GWCFXTLKSA-N 0 0 257.299 4.696 10 0 CJAERN C[C@@H](Nc1cc(F)cc(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000021810888 171329021 /nfs/dbraw/zinc/32/90/21/171329021.db2.gz GDAXSGJGRNSKPP-HDPALTEOSA-N 0 0 291.385 4.982 10 0 CJAERN C[C@H](Nc1cc(F)cc(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000021810890 171328890 /nfs/dbraw/zinc/32/88/90/171328890.db2.gz GDAXSGJGRNSKPP-IWERZKIRSA-N 0 0 291.385 4.982 10 0 CJAERN Cc1cc(Cl)ccc1N[C@@H]1CCOc2ccccc21 ZINC000021810943 171329035 /nfs/dbraw/zinc/32/90/35/171329035.db2.gz IBUABTUCZYXEAW-OAHLLOKOSA-N 0 0 273.763 4.584 10 0 CJAERN Cc1cc(Cl)ccc1N[C@H]1CCOc2ccccc21 ZINC000021810945 171328915 /nfs/dbraw/zinc/32/89/15/171328915.db2.gz IBUABTUCZYXEAW-HNNXBMFYSA-N 0 0 273.763 4.584 10 0 CJAERN COc1ccc(N[C@@H](C)c2ccccc2C)cc1Cl ZINC000021810961 171328973 /nfs/dbraw/zinc/32/89/73/171328973.db2.gz CYTAZGBASHCUCE-LBPRGKRZSA-N 0 0 275.779 4.830 10 0 CJAERN COc1ccc(N[C@H](C)c2ccccc2C)cc1Cl ZINC000021810963 171328924 /nfs/dbraw/zinc/32/89/24/171328924.db2.gz CYTAZGBASHCUCE-GFCCVEGCSA-N 0 0 275.779 4.830 10 0 CJAERN Clc1cccc(N[C@@H]2CCCc3ccccc32)c1 ZINC000021810970 171329074 /nfs/dbraw/zinc/32/90/74/171329074.db2.gz SHYXSIVCHSUPDR-MRXNPFEDSA-N 0 0 257.764 4.830 10 0 CJAERN Clc1cccc(N[C@H]2CCCc3ccccc32)c1 ZINC000021810972 171328951 /nfs/dbraw/zinc/32/89/51/171328951.db2.gz SHYXSIVCHSUPDR-INIZCTEOSA-N 0 0 257.764 4.830 10 0 CJAERN CC(C)[C@@H](C)Nc1ccccc1Cc1ccccc1 ZINC000021811083 171329445 /nfs/dbraw/zinc/32/94/45/171329445.db2.gz QZPDVTHWSWMAJH-OAHLLOKOSA-N 0 0 253.389 4.734 10 0 CJAERN CC(C)[C@H](C)Nc1ccccc1Cc1ccccc1 ZINC000021811085 171329426 /nfs/dbraw/zinc/32/94/26/171329426.db2.gz QZPDVTHWSWMAJH-HNNXBMFYSA-N 0 0 253.389 4.734 10 0 CJAERN Brc1cccc(NC2CCCCCCC2)c1 ZINC000021811089 171329278 /nfs/dbraw/zinc/32/92/78/171329278.db2.gz ZWNXKRFUKSRNHE-UHFFFAOYSA-N 0 0 282.225 4.974 10 0 CJAERN Cc1ccc(Oc2cccc(Cl)c2C=O)cc1C ZINC000021811231 171329204 /nfs/dbraw/zinc/32/92/04/171329204.db2.gz WWZHONUBUZFHPX-UHFFFAOYSA-N 0 0 260.720 4.562 10 0 CJAERN CCCc1ccc(NCc2ccc(CC)cc2)cc1 ZINC000021811233 171329185 /nfs/dbraw/zinc/32/91/85/171329185.db2.gz XSRZIZQICVTIQN-UHFFFAOYSA-N 0 0 253.389 4.814 10 0 CJAERN Cc1cc(N[C@@H]2CCC[C@@H](C)C2)ccc1Br ZINC000021811235 171329428 /nfs/dbraw/zinc/32/94/28/171329428.db2.gz XQOAVPXELMZADY-ZYHUDNBSSA-N 0 0 282.225 4.748 10 0 CJAERN Cc1cc(N[C@@H]2CCC[C@H](C)C2)ccc1Br ZINC000021811237 171329253 /nfs/dbraw/zinc/32/92/53/171329253.db2.gz XQOAVPXELMZADY-CMPLNLGQSA-N 0 0 282.225 4.748 10 0 CJAERN Cc1cc(N[C@H]2CCC[C@@H](C)C2)ccc1Br ZINC000021811238 171329417 /nfs/dbraw/zinc/32/94/17/171329417.db2.gz XQOAVPXELMZADY-PWSUYJOCSA-N 0 0 282.225 4.748 10 0 CJAERN Cc1cc(N[C@H]2CCC[C@H](C)C2)ccc1Br ZINC000021811240 171329410 /nfs/dbraw/zinc/32/94/10/171329410.db2.gz XQOAVPXELMZADY-JQWIXIFHSA-N 0 0 282.225 4.748 10 0 CJAERN C[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000021811267 171329330 /nfs/dbraw/zinc/32/93/30/171329330.db2.gz MRAUAIUQOIVRSB-SSDOTTSWSA-N 0 0 263.690 4.569 10 0 CJAERN C[C@H](Nc1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000021811269 171329405 /nfs/dbraw/zinc/32/94/05/171329405.db2.gz MRAUAIUQOIVRSB-ZETCQYMHSA-N 0 0 263.690 4.569 10 0 CJAERN C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000021811494 171329323 /nfs/dbraw/zinc/32/93/23/171329323.db2.gz ZUVFMKSIZABDSP-LLVKDONJSA-N 0 0 265.278 4.879 10 0 CJAERN C[C@H](Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000021811496 171329258 /nfs/dbraw/zinc/32/92/58/171329258.db2.gz ZUVFMKSIZABDSP-NSHDSACASA-N 0 0 265.278 4.879 10 0 CJAERN Fc1ccc(CNc2cccc(Cl)c2Cl)c(F)c1 ZINC000021811829 171329272 /nfs/dbraw/zinc/32/92/72/171329272.db2.gz DCHBMEDHPKTACE-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Cc1cc(F)ccc1N[C@H](C)c1cccc(Cl)c1 ZINC000021812044 171329654 /nfs/dbraw/zinc/32/96/54/171329654.db2.gz CHYRYFDUSHQNAE-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1cc(F)ccc1N[C@@H](C)c1cccc(Cl)c1 ZINC000021812045 171329715 /nfs/dbraw/zinc/32/97/15/171329715.db2.gz CHYRYFDUSHQNAE-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN CCc1ccc(CNc2cccc(Br)c2)cc1 ZINC000021812102 171329724 /nfs/dbraw/zinc/32/97/24/171329724.db2.gz DAPQYLOTYPFOOZ-UHFFFAOYSA-N 0 0 290.204 4.624 10 0 CJAERN CCc1cccc(N[C@@H]2CCCc3cc(OC)ccc32)c1 ZINC000021812197 171329681 /nfs/dbraw/zinc/32/96/81/171329681.db2.gz KPRUFMDPCDUQMY-LJQANCHMSA-N 0 0 281.399 4.747 10 0 CJAERN CCc1cccc(N[C@H]2CCCc3cc(OC)ccc32)c1 ZINC000021812198 171329580 /nfs/dbraw/zinc/32/95/80/171329580.db2.gz KPRUFMDPCDUQMY-IBGZPJMESA-N 0 0 281.399 4.747 10 0 CJAERN CC[C@@H](C)Nc1cc(Cl)c(Cl)cc1Cl ZINC000021812208 171329593 /nfs/dbraw/zinc/32/95/93/171329593.db2.gz SATAQEBZKOIZDY-ZCFIWIBFSA-N 0 0 252.572 4.857 10 0 CJAERN CC[C@H](C)Nc1cc(Cl)c(Cl)cc1Cl ZINC000021812209 171329812 /nfs/dbraw/zinc/32/98/12/171329812.db2.gz SATAQEBZKOIZDY-LURJTMIESA-N 0 0 252.572 4.857 10 0 CJAERN Cc1c(Cl)cccc1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000021812223 171329689 /nfs/dbraw/zinc/32/96/89/171329689.db2.gz HUCWYNHMCFOOMA-MFKMUULPSA-N 0 0 275.779 4.977 10 0 CJAERN Cc1c(Cl)cccc1NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000021812224 171329814 /nfs/dbraw/zinc/32/98/14/171329814.db2.gz HUCWYNHMCFOOMA-GWCFXTLKSA-N 0 0 275.779 4.977 10 0 CJAERN Cc1c(Cl)cccc1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000021812225 171329595 /nfs/dbraw/zinc/32/95/95/171329595.db2.gz HUCWYNHMCFOOMA-ZWNOBZJWSA-N 0 0 275.779 4.977 10 0 CJAERN Cc1c(Cl)cccc1NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000021812226 171329834 /nfs/dbraw/zinc/32/98/34/171329834.db2.gz HUCWYNHMCFOOMA-GXFFZTMASA-N 0 0 275.779 4.977 10 0 CJAERN CC(C)Oc1ccc([C@@H](C)Nc2ccc(F)c(F)c2)cc1 ZINC000021812321 171329686 /nfs/dbraw/zinc/32/96/86/171329686.db2.gz WJXJLQVHGVVDMZ-GFCCVEGCSA-N 0 0 291.341 4.925 10 0 CJAERN CC(C)Oc1ccc([C@H](C)Nc2ccc(F)c(F)c2)cc1 ZINC000021812322 171329684 /nfs/dbraw/zinc/32/96/84/171329684.db2.gz WJXJLQVHGVVDMZ-LBPRGKRZSA-N 0 0 291.341 4.925 10 0 CJAERN Cc1cccc(CNc2ccc(Br)c(C)c2)c1 ZINC000021812329 171329694 /nfs/dbraw/zinc/32/96/94/171329694.db2.gz RVTAIVRQPLMBEJ-UHFFFAOYSA-N 0 0 290.204 4.678 10 0 CJAERN CC[C@@H](C)C[C@@H](CC)Nc1ccc(OC(F)F)cc1 ZINC000021812333 171329828 /nfs/dbraw/zinc/32/98/28/171329828.db2.gz SFKAVFHCKZSFGE-VXGBXAGGSA-N 0 0 271.351 4.915 10 0 CJAERN CC[C@H](C[C@@H](C)CC)Nc1ccc(OC(F)F)cc1 ZINC000021812334 171329851 /nfs/dbraw/zinc/32/98/51/171329851.db2.gz SFKAVFHCKZSFGE-NWDGAFQWSA-N 0 0 271.351 4.915 10 0 CJAERN CC[C@@H](C)C[C@H](CC)Nc1ccc(OC(F)F)cc1 ZINC000021812335 171329853 /nfs/dbraw/zinc/32/98/53/171329853.db2.gz SFKAVFHCKZSFGE-NEPJUHHUSA-N 0 0 271.351 4.915 10 0 CJAERN CC[C@H](C)C[C@H](CC)Nc1ccc(OC(F)F)cc1 ZINC000021812336 171329701 /nfs/dbraw/zinc/32/97/01/171329701.db2.gz SFKAVFHCKZSFGE-RYUDHWBXSA-N 0 0 271.351 4.915 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc(F)c(F)c2)c(C)c1 ZINC000021812353 171329695 /nfs/dbraw/zinc/32/96/95/171329695.db2.gz FAFWRGLZWVOKAZ-GFCCVEGCSA-N 0 0 261.315 4.755 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc(F)c(F)c2)c(C)c1 ZINC000021812354 171329680 /nfs/dbraw/zinc/32/96/80/171329680.db2.gz FAFWRGLZWVOKAZ-LBPRGKRZSA-N 0 0 261.315 4.755 10 0 CJAERN Cc1cc(C)c(CNc2cc(F)cc(F)c2)c(C)c1 ZINC000021812394 171329751 /nfs/dbraw/zinc/32/97/51/171329751.db2.gz WQUPIVWQPNBKKS-UHFFFAOYSA-N 0 0 261.315 4.502 10 0 CJAERN CC(=O)c1ccccc1OCc1ccc(C(C)(C)C)cc1 ZINC000021812398 171329843 /nfs/dbraw/zinc/32/98/43/171329843.db2.gz YOMUQENMBSYIMZ-UHFFFAOYSA-N 0 0 282.383 4.766 10 0 CJAERN Fc1ccc(CNc2cccc3c2CCCC3)c(Cl)c1 ZINC000021812461 171329860 /nfs/dbraw/zinc/32/98/60/171329860.db2.gz JUIRGMDCHWSKJN-UHFFFAOYSA-N 0 0 289.781 4.970 10 0 CJAERN CCOc1ccccc1[C@@H](C)Nc1cc(C)ccc1C ZINC000021812511 171329931 /nfs/dbraw/zinc/32/99/31/171329931.db2.gz PFKUQYBORQVSMQ-OAHLLOKOSA-N 0 0 269.388 4.875 10 0 CJAERN CCOc1ccccc1[C@H](C)Nc1cc(C)ccc1C ZINC000021812512 171330177 /nfs/dbraw/zinc/33/01/77/171330177.db2.gz PFKUQYBORQVSMQ-HNNXBMFYSA-N 0 0 269.388 4.875 10 0 CJAERN C[C@@H](Nc1ccccc1OC(F)(F)F)c1ccc(F)cc1 ZINC000021812519 171330241 /nfs/dbraw/zinc/33/02/41/171330241.db2.gz FSAGPNMJSRJIAL-SNVBAGLBSA-N 0 0 299.267 4.897 10 0 CJAERN C[C@H](Nc1ccccc1OC(F)(F)F)c1ccc(F)cc1 ZINC000021812520 171330252 /nfs/dbraw/zinc/33/02/52/171330252.db2.gz FSAGPNMJSRJIAL-JTQLQIEISA-N 0 0 299.267 4.897 10 0 CJAERN CCOc1ccc(N[C@@H](C)c2ccc(SC)cc2)cc1 ZINC000021812534 171330007 /nfs/dbraw/zinc/33/00/07/171330007.db2.gz SPNKZLRZRSSJJN-ZDUSSCGKSA-N 0 0 287.428 4.980 10 0 CJAERN CCOc1ccc(N[C@H](C)c2ccc(SC)cc2)cc1 ZINC000021812535 171330156 /nfs/dbraw/zinc/33/01/56/171330156.db2.gz SPNKZLRZRSSJJN-CYBMUJFWSA-N 0 0 287.428 4.980 10 0 CJAERN COc1ccccc1CNc1cccc(Cl)c1Cl ZINC000021812538 171330278 /nfs/dbraw/zinc/33/02/78/171330278.db2.gz PXRSCKTVZKCVCZ-UHFFFAOYSA-N 0 0 282.170 4.614 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000021812541 171330094 /nfs/dbraw/zinc/33/00/94/171330094.db2.gz QPTYEQPYAIJDMI-NXEZZACHSA-N 0 0 289.753 4.932 10 0 CJAERN C[C@H]1CCC[C@@H](Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000021812542 171329972 /nfs/dbraw/zinc/32/99/72/171329972.db2.gz QPTYEQPYAIJDMI-VHSXEESVSA-N 0 0 289.753 4.932 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000021812543 171330032 /nfs/dbraw/zinc/33/00/32/171330032.db2.gz QPTYEQPYAIJDMI-ZJUUUORDSA-N 0 0 289.753 4.932 10 0 CJAERN C[C@H]1CCC[C@H](Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000021812544 171329954 /nfs/dbraw/zinc/32/99/54/171329954.db2.gz QPTYEQPYAIJDMI-UWVGGRQHSA-N 0 0 289.753 4.932 10 0 CJAERN Cc1ccc(Cl)cc1N[C@@H]1CCc2ccccc21 ZINC000021812567 171329992 /nfs/dbraw/zinc/32/99/92/171329992.db2.gz VVCYHGOKPFIVIY-OAHLLOKOSA-N 0 0 257.764 4.748 10 0 CJAERN Cc1ccc(Cl)cc1N[C@H]1CCc2ccccc21 ZINC000021812568 171330284 /nfs/dbraw/zinc/33/02/84/171330284.db2.gz VVCYHGOKPFIVIY-HNNXBMFYSA-N 0 0 257.764 4.748 10 0 CJAERN CCc1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000021812615 171330078 /nfs/dbraw/zinc/33/00/78/171330078.db2.gz BYJGVBAHJINVSR-UHFFFAOYSA-N 0 0 295.304 4.760 10 0 CJAERN CC[C@@H](Nc1ccc(F)cc1F)c1cccs1 ZINC000021812649 171329952 /nfs/dbraw/zinc/32/99/52/171329952.db2.gz DXQRWANMVDCZHU-LLVKDONJSA-N 0 0 253.317 4.590 10 0 CJAERN CC[C@H](Nc1ccc(F)cc1F)c1cccs1 ZINC000021812650 171330146 /nfs/dbraw/zinc/33/01/46/171330146.db2.gz DXQRWANMVDCZHU-NSHDSACASA-N 0 0 253.317 4.590 10 0 CJAERN C[C@@H](Nc1ccccc1OC(F)(F)F)c1cccc(F)c1 ZINC000021812680 171330294 /nfs/dbraw/zinc/33/02/94/171330294.db2.gz CTZVZUJJLXUSAY-SNVBAGLBSA-N 0 0 299.267 4.897 10 0 CJAERN C[C@H](Nc1ccccc1OC(F)(F)F)c1cccc(F)c1 ZINC000021812681 171330150 /nfs/dbraw/zinc/33/01/50/171330150.db2.gz CTZVZUJJLXUSAY-JTQLQIEISA-N 0 0 299.267 4.897 10 0 CJAERN Cc1cc(Br)ccc1N[C@H](C)CCC(C)C ZINC000021812688 171330173 /nfs/dbraw/zinc/33/01/73/171330173.db2.gz OUMUTWJCQFXACV-GFCCVEGCSA-N 0 0 284.241 4.994 10 0 CJAERN Cc1cc(Br)ccc1N[C@@H](C)CCC(C)C ZINC000021812689 171329999 /nfs/dbraw/zinc/32/99/99/171329999.db2.gz OUMUTWJCQFXACV-LBPRGKRZSA-N 0 0 284.241 4.994 10 0 CJAERN CCC1CCC(Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000021812697 171330050 /nfs/dbraw/zinc/33/00/50/171330050.db2.gz JZUAEWCGRKKCCA-UHFFFAOYSA-N 0 0 287.325 4.966 10 0 CJAERN CC[C@@H](C)C[C@@H](CC)Nc1cc(Cl)c(OC)cc1OC ZINC000021812736 171330003 /nfs/dbraw/zinc/33/00/03/171330003.db2.gz QLMASIANLAZTNJ-VXGBXAGGSA-N 0 0 299.842 4.984 10 0 CJAERN CC[C@H](C[C@@H](C)CC)Nc1cc(Cl)c(OC)cc1OC ZINC000021812737 171329990 /nfs/dbraw/zinc/32/99/90/171329990.db2.gz QLMASIANLAZTNJ-NWDGAFQWSA-N 0 0 299.842 4.984 10 0 CJAERN CC[C@@H](C)C[C@H](CC)Nc1cc(Cl)c(OC)cc1OC ZINC000021812738 171330086 /nfs/dbraw/zinc/33/00/86/171330086.db2.gz QLMASIANLAZTNJ-NEPJUHHUSA-N 0 0 299.842 4.984 10 0 CJAERN CC[C@H](C)C[C@H](CC)Nc1cc(Cl)c(OC)cc1OC ZINC000021812739 171330188 /nfs/dbraw/zinc/33/01/88/171330188.db2.gz QLMASIANLAZTNJ-RYUDHWBXSA-N 0 0 299.842 4.984 10 0 CJAERN CC[C@@H](Nc1ccc(F)c(F)c1F)c1ccc(OC)cc1 ZINC000021812750 171330221 /nfs/dbraw/zinc/33/02/21/171330221.db2.gz PZXGVQKCZJJEHH-CYBMUJFWSA-N 0 0 295.304 4.676 10 0 CJAERN CC[C@H](Nc1ccc(F)c(F)c1F)c1ccc(OC)cc1 ZINC000021812751 171329922 /nfs/dbraw/zinc/32/99/22/171329922.db2.gz PZXGVQKCZJJEHH-ZDUSSCGKSA-N 0 0 295.304 4.676 10 0 CJAERN Cc1ccc(NCc2cccc(Cl)c2)cc1Cl ZINC000021812775 171330193 /nfs/dbraw/zinc/33/01/93/171330193.db2.gz JNVIUYORZLWSJA-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN Clc1ccc(Cn2c3ccccc3c3ccccc32)cn1 ZINC000021812780 171329929 /nfs/dbraw/zinc/32/99/29/171329929.db2.gz JDJADYLSXAZKRV-UHFFFAOYSA-N 0 0 292.769 4.891 10 0 CJAERN CSc1ccc(CNc2cccc(Cl)c2C)cc1 ZINC000021812812 171330125 /nfs/dbraw/zinc/33/01/25/171330125.db2.gz WKFFZKVXUQZLGR-UHFFFAOYSA-N 0 0 277.820 4.982 10 0 CJAERN Cc1ccc(N[C@H](C)c2ccccc2OC(F)F)cc1F ZINC000021812815 171330270 /nfs/dbraw/zinc/33/02/70/171330270.db2.gz DYRKRYJHWUFLBK-LLVKDONJSA-N 0 0 295.304 4.909 10 0 CJAERN Cc1ccc(N[C@@H](C)c2ccccc2OC(F)F)cc1F ZINC000021812816 171330067 /nfs/dbraw/zinc/33/00/67/171330067.db2.gz DYRKRYJHWUFLBK-NSHDSACASA-N 0 0 295.304 4.909 10 0 CJAERN C[C@@H](NCc1ccccc1F)c1ccc(Cl)cc1Cl ZINC000021812901 171330021 /nfs/dbraw/zinc/33/00/21/171330021.db2.gz ZZKNWSASPGSMAZ-SNVBAGLBSA-N 0 0 298.188 4.983 10 0 CJAERN C[C@H](NCc1ccccc1F)c1ccc(Cl)cc1Cl ZINC000021812902 171329927 /nfs/dbraw/zinc/32/99/27/171329927.db2.gz ZZKNWSASPGSMAZ-JTQLQIEISA-N 0 0 298.188 4.983 10 0 CJAERN Cc1ccc(N[C@@H]2CCSc3ccccc32)cc1C ZINC000021812955 171330568 /nfs/dbraw/zinc/33/05/68/171330568.db2.gz QDCBSOGJYBAOJZ-MRXNPFEDSA-N 0 0 269.413 4.952 10 0 CJAERN Cc1ccc(N[C@H]2CCSc3ccccc32)cc1C ZINC000021812956 171330446 /nfs/dbraw/zinc/33/04/46/171330446.db2.gz QDCBSOGJYBAOJZ-INIZCTEOSA-N 0 0 269.413 4.952 10 0 CJAERN C[C@@H]1C[C@@H](Nc2ccc(F)c(F)c2)CC(C)(C)C1 ZINC000021812957 171330523 /nfs/dbraw/zinc/33/05/23/171330523.db2.gz ROYWREMXGSYPJK-ZYHUDNBSSA-N 0 0 253.336 4.592 10 0 CJAERN C[C@H]1C[C@@H](Nc2ccc(F)c(F)c2)CC(C)(C)C1 ZINC000021812958 171330665 /nfs/dbraw/zinc/33/06/65/171330665.db2.gz ROYWREMXGSYPJK-CMPLNLGQSA-N 0 0 253.336 4.592 10 0 CJAERN C[C@@H]1C[C@H](Nc2ccc(F)c(F)c2)CC(C)(C)C1 ZINC000021812959 171330372 /nfs/dbraw/zinc/33/03/72/171330372.db2.gz ROYWREMXGSYPJK-PWSUYJOCSA-N 0 0 253.336 4.592 10 0 CJAERN C[C@H]1C[C@H](Nc2ccc(F)c(F)c2)CC(C)(C)C1 ZINC000021812960 171330708 /nfs/dbraw/zinc/33/07/08/171330708.db2.gz ROYWREMXGSYPJK-JQWIXIFHSA-N 0 0 253.336 4.592 10 0 CJAERN Cc1ccccc1[C@@H](C)Nc1ccc(Br)cc1 ZINC000021813037 171330715 /nfs/dbraw/zinc/33/07/15/171330715.db2.gz DMYJMLZNHSOGJB-GFCCVEGCSA-N 0 0 290.204 4.931 10 0 CJAERN Cc1ccccc1[C@H](C)Nc1ccc(Br)cc1 ZINC000021813038 171330402 /nfs/dbraw/zinc/33/04/02/171330402.db2.gz DMYJMLZNHSOGJB-LBPRGKRZSA-N 0 0 290.204 4.931 10 0 CJAERN COc1cc(Cl)c(C)cc1NCc1ccc(C)cc1 ZINC000021813065 171330653 /nfs/dbraw/zinc/33/06/53/171330653.db2.gz DDJBHAGYTHECBN-UHFFFAOYSA-N 0 0 275.779 4.578 10 0 CJAERN Cc1ccc(F)cc1N[C@H](C)c1ccc(Cl)cc1 ZINC000021813073 171330558 /nfs/dbraw/zinc/33/05/58/171330558.db2.gz WVJDJLDMRDWRQQ-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(F)cc1N[C@@H](C)c1ccc(Cl)cc1 ZINC000021813074 171330617 /nfs/dbraw/zinc/33/06/17/171330617.db2.gz WVJDJLDMRDWRQQ-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN COc1cc(Cl)c(C)cc1N[C@@H](C)c1cccs1 ZINC000021813160 171330714 /nfs/dbraw/zinc/33/07/14/171330714.db2.gz DMLMMIJUOGBWPE-JTQLQIEISA-N 0 0 281.808 4.892 10 0 CJAERN COc1cc(Cl)c(C)cc1N[C@H](C)c1cccs1 ZINC000021813161 171330478 /nfs/dbraw/zinc/33/04/78/171330478.db2.gz DMLMMIJUOGBWPE-SNVBAGLBSA-N 0 0 281.808 4.892 10 0 CJAERN COc1ccc(Cl)cc1N[C@@H](C)c1ccc(C)cc1 ZINC000021813173 171330348 /nfs/dbraw/zinc/33/03/48/171330348.db2.gz KSZKPONALACFFS-LBPRGKRZSA-N 0 0 275.779 4.830 10 0 CJAERN COc1ccc(Cl)cc1N[C@H](C)c1ccc(C)cc1 ZINC000021813174 171330501 /nfs/dbraw/zinc/33/05/01/171330501.db2.gz KSZKPONALACFFS-GFCCVEGCSA-N 0 0 275.779 4.830 10 0 CJAERN Cc1ccc(N[C@H](C)c2ccccc2Cl)cc1F ZINC000021813196 171330439 /nfs/dbraw/zinc/33/04/39/171330439.db2.gz IWFMXEAQFHGOSV-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(N[C@@H](C)c2ccccc2Cl)cc1F ZINC000021813197 171330369 /nfs/dbraw/zinc/33/03/69/171330369.db2.gz IWFMXEAQFHGOSV-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN COc1ccccc1N[C@@H](C)c1c(C)cc(C)cc1C ZINC000021813216 171330637 /nfs/dbraw/zinc/33/06/37/171330637.db2.gz PAKYRNLTTQBYCT-HNNXBMFYSA-N 0 0 269.388 4.794 10 0 CJAERN COc1ccccc1N[C@H](C)c1c(C)cc(C)cc1C ZINC000021813217 171330468 /nfs/dbraw/zinc/33/04/68/171330468.db2.gz PAKYRNLTTQBYCT-OAHLLOKOSA-N 0 0 269.388 4.794 10 0 CJAERN Cc1ccc(N[C@H](C)c2cccc(Cl)c2)cc1F ZINC000021813373 171330639 /nfs/dbraw/zinc/33/06/39/171330639.db2.gz ILGXVICUKISRPA-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(N[C@@H](C)c2cccc(Cl)c2)cc1F ZINC000021813374 171330657 /nfs/dbraw/zinc/33/06/57/171330657.db2.gz ILGXVICUKISRPA-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN CC(C)c1ccccc1NCc1ccc(F)cc1F ZINC000021813387 171330437 /nfs/dbraw/zinc/33/04/37/171330437.db2.gz CNHDWBGZIOIUTK-UHFFFAOYSA-N 0 0 261.315 4.700 10 0 CJAERN Cc1ccc(F)cc1N[C@@H]1CCCc2ccccc21 ZINC000021813447 171331063 /nfs/dbraw/zinc/33/10/63/171331063.db2.gz PXHOOEOYJOYFDC-MRXNPFEDSA-N 0 0 255.336 4.624 10 0 CJAERN Cc1ccc(F)cc1N[C@H]1CCCc2ccccc21 ZINC000021813448 171330991 /nfs/dbraw/zinc/33/09/91/171330991.db2.gz PXHOOEOYJOYFDC-INIZCTEOSA-N 0 0 255.336 4.624 10 0 CJAERN C[C@@H](Nc1ccc(F)c(F)c1)c1cc2ccccc2o1 ZINC000021813522 171330930 /nfs/dbraw/zinc/33/09/30/171330930.db2.gz ZJAYFDIMDYVPKJ-SNVBAGLBSA-N 0 0 273.282 4.884 10 0 CJAERN C[C@H](Nc1ccc(F)c(F)c1)c1cc2ccccc2o1 ZINC000021813523 171331061 /nfs/dbraw/zinc/33/10/61/171331061.db2.gz ZJAYFDIMDYVPKJ-JTQLQIEISA-N 0 0 273.282 4.884 10 0 CJAERN Fc1ccc(CNc2ccc3c(c2)CCC3)c(Cl)c1 ZINC000021813593 171330990 /nfs/dbraw/zinc/33/09/90/171330990.db2.gz AUIHRPPPVSYDFD-UHFFFAOYSA-N 0 0 275.754 4.580 10 0 CJAERN C[C@@H](Nc1cc(Cl)cc(Cl)c1)c1ccc(O)cc1 ZINC000021813624 171330904 /nfs/dbraw/zinc/33/09/04/171330904.db2.gz GXKFVYTZTGOMQB-SECBINFHSA-N 0 0 282.170 4.872 10 0 CJAERN C[C@H](Nc1cc(Cl)cc(Cl)c1)c1ccc(O)cc1 ZINC000021813625 171330928 /nfs/dbraw/zinc/33/09/28/171330928.db2.gz GXKFVYTZTGOMQB-VIFPVBQESA-N 0 0 282.170 4.872 10 0 CJAERN COc1ccc(Cl)cc1N[C@@H](C)c1ccc(F)c(F)c1 ZINC000021813639 171330814 /nfs/dbraw/zinc/33/08/14/171330814.db2.gz ZCRSBLKJBALFMI-VIFPVBQESA-N 0 0 297.732 4.800 10 0 CJAERN COc1ccc(Cl)cc1N[C@H](C)c1ccc(F)c(F)c1 ZINC000021813640 171330958 /nfs/dbraw/zinc/33/09/58/171330958.db2.gz ZCRSBLKJBALFMI-SECBINFHSA-N 0 0 297.732 4.800 10 0 CJAERN CC(C)CCNc1ccc(Cl)cc1C(F)(F)F ZINC000021813789 171330988 /nfs/dbraw/zinc/33/09/88/171330988.db2.gz WJGICPDNYZRAFX-UHFFFAOYSA-N 0 0 265.706 4.817 10 0 CJAERN CCCCC[C@@H](C)Nc1cccc(OC(F)(F)F)c1 ZINC000021813791 171331125 /nfs/dbraw/zinc/33/11/25/171331125.db2.gz OOMMTFKKMQJBJV-LLVKDONJSA-N 0 0 275.314 4.966 10 0 CJAERN CCCCC[C@H](C)Nc1cccc(OC(F)(F)F)c1 ZINC000021813792 171331052 /nfs/dbraw/zinc/33/10/52/171331052.db2.gz OOMMTFKKMQJBJV-NSHDSACASA-N 0 0 275.314 4.966 10 0 CJAERN CCc1ccc([C@@H](C)Nc2ccc3c(c2)CCC3)cc1 ZINC000021813800 171330870 /nfs/dbraw/zinc/33/08/70/171330870.db2.gz HGYYXOQZOMIFQR-CQSZACIVSA-N 0 0 265.400 4.911 10 0 CJAERN CCc1ccc([C@H](C)Nc2ccc3c(c2)CCC3)cc1 ZINC000021813801 171331036 /nfs/dbraw/zinc/33/10/36/171331036.db2.gz HGYYXOQZOMIFQR-AWEZNQCLSA-N 0 0 265.400 4.911 10 0 CJAERN Cc1nc(-c2ccc(NCc3cccc(F)c3)cc2)cs1 ZINC000021813853 171330868 /nfs/dbraw/zinc/33/08/68/171330868.db2.gz GGIVHDBPEVIAEU-UHFFFAOYSA-N 0 0 298.386 4.870 10 0 CJAERN CCCCCOc1ccc(CNc2cccc(O)c2)cc1 ZINC000021813915 171331298 /nfs/dbraw/zinc/33/12/98/171331298.db2.gz DFJMCZQFAIQNOR-UHFFFAOYSA-N 0 0 285.387 4.573 10 0 CJAERN CC(C)c1ccc(NCc2ccc(F)cc2F)cc1 ZINC000021814079 171331291 /nfs/dbraw/zinc/33/12/91/171331291.db2.gz CPMNXMBYNPVGIU-UHFFFAOYSA-N 0 0 261.315 4.700 10 0 CJAERN COc1ccc(C)cc1[C@@H](C)Nc1cc(C)ccc1C ZINC000021814086 171331296 /nfs/dbraw/zinc/33/12/96/171331296.db2.gz VDCAVPGYSKTCFU-OAHLLOKOSA-N 0 0 269.388 4.794 10 0 CJAERN COc1ccc(C)cc1[C@H](C)Nc1cc(C)ccc1C ZINC000021814087 171331410 /nfs/dbraw/zinc/33/14/10/171331410.db2.gz VDCAVPGYSKTCFU-HNNXBMFYSA-N 0 0 269.388 4.794 10 0 CJAERN CC[C@@H](Nc1cccc(Cl)c1)c1cccs1 ZINC000021814143 171331255 /nfs/dbraw/zinc/33/12/55/171331255.db2.gz WSXDDLDWEPXSOW-GFCCVEGCSA-N 0 0 251.782 4.965 10 0 CJAERN CC[C@H](Nc1cccc(Cl)c1)c1cccs1 ZINC000021814144 171331246 /nfs/dbraw/zinc/33/12/46/171331246.db2.gz WSXDDLDWEPXSOW-LBPRGKRZSA-N 0 0 251.782 4.965 10 0 CJAERN Cc1ccc(CSc2ccc(Cl)cc2N)cc1 ZINC000021814197 171331282 /nfs/dbraw/zinc/33/12/82/171331282.db2.gz KUDGVOCVMLTYSU-UHFFFAOYSA-N 0 0 263.793 4.523 10 0 CJAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(N)cc1Cl ZINC000021814356 171331714 /nfs/dbraw/zinc/33/17/14/171331714.db2.gz PZKMYGOXBRZGAS-FFSVYQOJSA-N 0 0 281.827 4.762 10 0 CJAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(N)cc1Cl ZINC000021814357 171331859 /nfs/dbraw/zinc/33/18/59/171331859.db2.gz PZKMYGOXBRZGAS-KFNAQCHYSA-N 0 0 281.827 4.762 10 0 CJAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccc(N)cc1Cl ZINC000021814358 171331529 /nfs/dbraw/zinc/33/15/29/171331529.db2.gz PZKMYGOXBRZGAS-RBOXIYTFSA-N 0 0 281.827 4.762 10 0 CJAERN C[C@@H](CNc1ccccc1Br)c1ccccc1 ZINC000021814413 171331839 /nfs/dbraw/zinc/33/18/39/171331839.db2.gz XMNFMBCWYLNZMC-LBPRGKRZSA-N 0 0 290.204 4.665 10 0 CJAERN C[C@H](CNc1ccccc1Br)c1ccccc1 ZINC000021814414 171331833 /nfs/dbraw/zinc/33/18/33/171331833.db2.gz XMNFMBCWYLNZMC-GFCCVEGCSA-N 0 0 290.204 4.665 10 0 CJAERN CC(C)(C)c1ccc(CSc2ccccc2N)cc1 ZINC000021814422 171331708 /nfs/dbraw/zinc/33/17/08/171331708.db2.gz SYUFDYNAIMUHMO-UHFFFAOYSA-N 0 0 271.429 4.859 10 0 CJAERN CC(C)(C)c1ccc(NCCc2ccccc2)cc1 ZINC000021814441 171331668 /nfs/dbraw/zinc/33/16/68/171331668.db2.gz VAHMZWYITOFZLU-UHFFFAOYSA-N 0 0 253.389 4.639 10 0 CJAERN CC(C)Oc1ccc([C@@H](C)Nc2ccc(F)cc2F)cc1 ZINC000021814457 171331724 /nfs/dbraw/zinc/33/17/24/171331724.db2.gz QVVZEGFKDXEPKX-GFCCVEGCSA-N 0 0 291.341 4.925 10 0 CJAERN CC(C)Oc1ccc([C@H](C)Nc2ccc(F)cc2F)cc1 ZINC000021814458 171331707 /nfs/dbraw/zinc/33/17/07/171331707.db2.gz QVVZEGFKDXEPKX-LBPRGKRZSA-N 0 0 291.341 4.925 10 0 CJAERN CCc1ccc(N[C@@H](C)c2cc(C)ccc2OC)cc1 ZINC000021814473 171331726 /nfs/dbraw/zinc/33/17/26/171331726.db2.gz LDFAPILSZGGBEA-AWEZNQCLSA-N 0 0 269.388 4.739 10 0 CJAERN CCc1ccc(N[C@H](C)c2cc(C)ccc2OC)cc1 ZINC000021814474 171331857 /nfs/dbraw/zinc/33/18/57/171331857.db2.gz LDFAPILSZGGBEA-CQSZACIVSA-N 0 0 269.388 4.739 10 0 CJAERN CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1cc(F)ccc1F ZINC000021814485 171331745 /nfs/dbraw/zinc/33/17/45/171331745.db2.gz IFLPBZKUGVUMGH-OCCSQVGLSA-N 0 0 267.363 4.982 10 0 CJAERN CC(C)(C)[C@H]1CCCC[C@@H]1Nc1cc(F)ccc1F ZINC000021814487 171331849 /nfs/dbraw/zinc/33/18/49/171331849.db2.gz IFLPBZKUGVUMGH-JSGCOSHPSA-N 0 0 267.363 4.982 10 0 CJAERN CC(C)(C)[C@@H]1CCCC[C@H]1Nc1cc(F)ccc1F ZINC000021814489 171331787 /nfs/dbraw/zinc/33/17/87/171331787.db2.gz IFLPBZKUGVUMGH-TZMCWYRMSA-N 0 0 267.363 4.982 10 0 CJAERN CC(C)(C)[C@H]1CCCC[C@H]1Nc1cc(F)ccc1F ZINC000021814490 171331780 /nfs/dbraw/zinc/33/17/80/171331780.db2.gz IFLPBZKUGVUMGH-GXTWGEPZSA-N 0 0 267.363 4.982 10 0 CJAERN FC(F)(F)c1ccccc1NCc1ccc(Cl)cc1 ZINC000021814680 171331699 /nfs/dbraw/zinc/33/16/99/171331699.db2.gz PTXGHSGOKRLZDA-UHFFFAOYSA-N 0 0 285.696 4.971 10 0 CJAERN COc1cc(Cl)c(C)cc1NCc1ccc(C)cc1C ZINC000021814689 171331768 /nfs/dbraw/zinc/33/17/68/171331768.db2.gz RNEVBKGTTOBVAN-UHFFFAOYSA-N 0 0 289.806 4.886 10 0 CJAERN CCOc1ccccc1[C@@H](C)Nc1ccc(F)cc1F ZINC000021814732 171331734 /nfs/dbraw/zinc/33/17/34/171331734.db2.gz PKKSQZSQAOYHET-LLVKDONJSA-N 0 0 277.314 4.537 10 0 CJAERN CCOc1ccccc1[C@H](C)Nc1ccc(F)cc1F ZINC000021814733 171331750 /nfs/dbraw/zinc/33/17/50/171331750.db2.gz PKKSQZSQAOYHET-NSHDSACASA-N 0 0 277.314 4.537 10 0 CJAERN CC[C@@H](Nc1ccccc1C(F)(F)F)c1ccc(O)cc1 ZINC000021814792 171331850 /nfs/dbraw/zinc/33/18/50/171331850.db2.gz ABUZJKSDLPBCHM-CQSZACIVSA-N 0 0 295.304 4.974 10 0 CJAERN CC[C@H](Nc1ccccc1C(F)(F)F)c1ccc(O)cc1 ZINC000021814793 171331674 /nfs/dbraw/zinc/33/16/74/171331674.db2.gz ABUZJKSDLPBCHM-AWEZNQCLSA-N 0 0 295.304 4.974 10 0 CJAERN Cc1ccc(N[C@H](C)c2ccc(Cl)cc2Cl)nc1 ZINC000021814865 171331712 /nfs/dbraw/zinc/33/17/12/171331712.db2.gz DJNRGZUIQMMSKF-SNVBAGLBSA-N 0 0 281.186 4.870 10 0 CJAERN Cc1ccc(N[C@@H](C)c2ccc(Cl)cc2Cl)nc1 ZINC000021814867 171331731 /nfs/dbraw/zinc/33/17/31/171331731.db2.gz DJNRGZUIQMMSKF-JTQLQIEISA-N 0 0 281.186 4.870 10 0 CJAERN CCOc1ccccc1N[C@@H](C)CCc1ccccc1 ZINC000021814875 171331821 /nfs/dbraw/zinc/33/18/21/171331821.db2.gz MPDWCZCHOIQLEW-HNNXBMFYSA-N 0 0 269.388 4.519 10 0 CJAERN CCOc1ccccc1N[C@H](C)CCc1ccccc1 ZINC000021814877 171331555 /nfs/dbraw/zinc/33/15/55/171331555.db2.gz MPDWCZCHOIQLEW-OAHLLOKOSA-N 0 0 269.388 4.519 10 0 CJAERN Cc1cccc(CNc2ccccc2C(F)(F)F)c1 ZINC000021814955 171331626 /nfs/dbraw/zinc/33/16/26/171331626.db2.gz HUMZSXDOAVEOCA-UHFFFAOYSA-N 0 0 265.278 4.626 10 0 CJAERN Cc1ccc(C(C)C)c(OCc2ccc(Cl)nc2)c1 ZINC000021814974 171331840 /nfs/dbraw/zinc/33/18/40/171331840.db2.gz FQHCPWWEHRDQTO-UHFFFAOYSA-N 0 0 275.779 4.746 10 0 CJAERN Cc1cc(Br)cc(C)c1NCc1ccccc1 ZINC000021815113 171331914 /nfs/dbraw/zinc/33/19/14/171331914.db2.gz TVAJZAFRJBOYSS-UHFFFAOYSA-N 0 0 290.204 4.678 10 0 CJAERN Cc1cc(N[C@H](C)c2ccccc2)ccc1Br ZINC000021815159 171332134 /nfs/dbraw/zinc/33/21/34/171332134.db2.gz LBFJIABPQHGIFW-GFCCVEGCSA-N 0 0 290.204 4.931 10 0 CJAERN Cc1cc(N[C@@H](C)c2ccccc2)ccc1Br ZINC000021815161 171332113 /nfs/dbraw/zinc/33/21/13/171332113.db2.gz LBFJIABPQHGIFW-LBPRGKRZSA-N 0 0 290.204 4.931 10 0 CJAERN Cc1ccc(C)c(NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000021815200 171331896 /nfs/dbraw/zinc/33/18/96/171331896.db2.gz VSJKNLROSDNYQD-UHFFFAOYSA-N 0 0 295.304 4.814 10 0 CJAERN CSc1ccc(CNc2cccc(Cl)c2)cc1 ZINC000021815290 171331940 /nfs/dbraw/zinc/33/19/40/171331940.db2.gz RBPFJYPWKZJTNL-UHFFFAOYSA-N 0 0 263.793 4.674 10 0 CJAERN Cc1cc(Cl)ccc1N[C@H](C)c1cccc(F)c1 ZINC000021815294 171332121 /nfs/dbraw/zinc/33/21/21/171332121.db2.gz OORZBMBBXOXLSL-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1cc(Cl)ccc1N[C@@H](C)c1cccc(F)c1 ZINC000021815295 171332046 /nfs/dbraw/zinc/33/20/46/171332046.db2.gz OORZBMBBXOXLSL-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN CC(=O)c1ccc(O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021815344 171331982 /nfs/dbraw/zinc/33/19/82/171331982.db2.gz YZGWERNFKZELGD-XWIAVFTESA-N 0 0 274.404 4.729 10 0 CJAERN CC(=O)c1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021815346 171332169 /nfs/dbraw/zinc/33/21/69/171332169.db2.gz YZGWERNFKZELGD-VHSSKADRSA-N 0 0 274.404 4.729 10 0 CJAERN Cc1ccc(Cl)cc1N[C@H](C)c1ccccc1F ZINC000021815410 171332053 /nfs/dbraw/zinc/33/20/53/171332053.db2.gz UJLNYFFPZXEXCW-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(Cl)cc1N[C@@H](C)c1ccccc1F ZINC000021815412 171331919 /nfs/dbraw/zinc/33/19/19/171331919.db2.gz UJLNYFFPZXEXCW-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN CCCc1ccc(N[C@@H](C)c2ccccc2F)cc1 ZINC000021815498 171332112 /nfs/dbraw/zinc/33/21/12/171332112.db2.gz NUSZKHPVXDCIFC-ZDUSSCGKSA-N 0 0 257.352 4.951 10 0 CJAERN CCCc1ccc(N[C@H](C)c2ccccc2F)cc1 ZINC000021815500 171331904 /nfs/dbraw/zinc/33/19/04/171331904.db2.gz NUSZKHPVXDCIFC-CYBMUJFWSA-N 0 0 257.352 4.951 10 0 CJAERN Cc1nc(-c2ccc(NCc3ccccc3F)cc2)cs1 ZINC000021815686 171331978 /nfs/dbraw/zinc/33/19/78/171331978.db2.gz AMEMTBYKTCNPNY-UHFFFAOYSA-N 0 0 298.386 4.870 10 0 CJAERN Cc1ccccc1[C@@H](C)Nc1ccccc1Br ZINC000021815708 171332168 /nfs/dbraw/zinc/33/21/68/171332168.db2.gz CYRAYTKSNRVSND-GFCCVEGCSA-N 0 0 290.204 4.931 10 0 CJAERN Cc1ccccc1[C@H](C)Nc1ccccc1Br ZINC000021815709 171331976 /nfs/dbraw/zinc/33/19/76/171331976.db2.gz CYRAYTKSNRVSND-LBPRGKRZSA-N 0 0 290.204 4.931 10 0 CJAERN CCC(C)(C)C1CCC(Nc2ccc3c(c2)OCO3)CC1 ZINC000021815761 171331999 /nfs/dbraw/zinc/33/19/99/171331999.db2.gz CRQOGCVELKMEDN-UHFFFAOYSA-N 0 0 289.419 4.822 10 0 CJAERN Cc1ccc(F)cc1NCc1cccc2ccccc21 ZINC000021815828 171332224 /nfs/dbraw/zinc/33/22/24/171332224.db2.gz MCIMMHGAGRCFEF-UHFFFAOYSA-N 0 0 265.331 4.899 10 0 CJAERN CC(=O)c1ccc(Oc2ccc(Cl)cc2C)cc1 ZINC000021815877 171332198 /nfs/dbraw/zinc/33/21/98/171332198.db2.gz QCKUUHNORSCOJT-UHFFFAOYSA-N 0 0 260.720 4.643 10 0 CJAERN Clc1cccc(Cl)c1CN[C@@H]1CCc2ccccc21 ZINC000021815880 171331991 /nfs/dbraw/zinc/33/19/91/171331991.db2.gz HBZXDAHMTGJJPO-MRXNPFEDSA-N 0 0 292.209 4.771 10 0 CJAERN Clc1cccc(Cl)c1CN[C@H]1CCc2ccccc21 ZINC000021815882 171332173 /nfs/dbraw/zinc/33/21/73/171332173.db2.gz HBZXDAHMTGJJPO-INIZCTEOSA-N 0 0 292.209 4.771 10 0 CJAERN CC(=O)c1ccccc1O[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000021815977 171332588 /nfs/dbraw/zinc/33/25/88/171332588.db2.gz SRFBCQRIEYGRLL-SIIHOXLZSA-N 0 0 274.404 4.729 10 0 CJAERN CC(=O)c1ccccc1O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021815979 171332359 /nfs/dbraw/zinc/33/23/59/171332359.db2.gz SRFBCQRIEYGRLL-JOQOYGCGSA-N 0 0 274.404 4.729 10 0 CJAERN Fc1ccc(CNc2cc(Cl)ccc2Cl)cc1F ZINC000021816082 171332573 /nfs/dbraw/zinc/33/25/73/171332573.db2.gz RFNWNRGXQQOPTR-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Nc1ccc(Sc2ccc(Cl)cc2)c(Cl)c1 ZINC000021816153 171332615 /nfs/dbraw/zinc/33/26/15/171332615.db2.gz BPJIFPAEKAKBOD-UHFFFAOYSA-N 0 0 270.184 4.727 10 0 CJAERN Cc1cc(Cl)ccc1N[C@H](C)c1ccc(F)cc1 ZINC000021816209 171332379 /nfs/dbraw/zinc/33/23/79/171332379.db2.gz RZWDDFLIJHAHIC-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1cc(Cl)ccc1N[C@@H](C)c1ccc(F)cc1 ZINC000021816211 171332309 /nfs/dbraw/zinc/33/23/09/171332309.db2.gz RZWDDFLIJHAHIC-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN Fc1ccc(NCc2cccc3ccccc32)cc1F ZINC000021816229 171332521 /nfs/dbraw/zinc/33/25/21/171332521.db2.gz CBKIMNNZOQINLS-UHFFFAOYSA-N 0 0 269.294 4.730 10 0 CJAERN CCOc1ccc(N[C@@H](CC)c2ccc(C)cc2)cc1 ZINC000021816235 171332597 /nfs/dbraw/zinc/33/25/97/171332597.db2.gz GOEWYNJFMYKAIY-SFHVURJKSA-N 0 0 269.388 4.957 10 0 CJAERN CCOc1ccc(N[C@H](CC)c2ccc(C)cc2)cc1 ZINC000021816237 171332543 /nfs/dbraw/zinc/33/25/43/171332543.db2.gz GOEWYNJFMYKAIY-GOSISDBHSA-N 0 0 269.388 4.957 10 0 CJAERN Cc1ccc(F)cc1NCc1ccc(C(C)C)cc1 ZINC000021816298 171332522 /nfs/dbraw/zinc/33/25/22/171332522.db2.gz GPUSEPUMWOVYPC-UHFFFAOYSA-N 0 0 257.352 4.870 10 0 CJAERN CC1CCC(Nc2cccc(Cl)c2Cl)CC1 ZINC000021816380 171332590 /nfs/dbraw/zinc/33/25/90/171332590.db2.gz CVAOQHVFGLHJIJ-UHFFFAOYSA-N 0 0 258.192 4.984 10 0 CJAERN CSc1ccc(N[C@@H]2CCCc3ccccc32)cc1 ZINC000021816660 171332384 /nfs/dbraw/zinc/33/23/84/171332384.db2.gz VGMPBNSUXXBKON-QGZVFWFLSA-N 0 0 269.413 4.898 10 0 CJAERN CSc1ccc(N[C@H]2CCCc3ccccc32)cc1 ZINC000021816662 171332619 /nfs/dbraw/zinc/33/26/19/171332619.db2.gz VGMPBNSUXXBKON-KRWDZBQOSA-N 0 0 269.413 4.898 10 0 CJAERN Cc1ccc(N[C@H](C)CC(C)C)c(Br)c1 ZINC000021816668 171332333 /nfs/dbraw/zinc/33/23/33/171332333.db2.gz DOEPVOLOMBJYJY-LLVKDONJSA-N 0 0 270.214 4.604 10 0 CJAERN Cc1ccc(N[C@@H](C)CC(C)C)c(Br)c1 ZINC000021816670 171332331 /nfs/dbraw/zinc/33/23/31/171332331.db2.gz DOEPVOLOMBJYJY-NSHDSACASA-N 0 0 270.214 4.604 10 0 CJAERN Cc1ccc(N[C@@H]2CCc3ccccc32)cc1Cl ZINC000021816743 171332919 /nfs/dbraw/zinc/33/29/19/171332919.db2.gz VBITUQRSRGOBPV-MRXNPFEDSA-N 0 0 257.764 4.748 10 0 CJAERN Cc1ccc(N[C@H]2CCc3ccccc32)cc1Cl ZINC000021816744 171333018 /nfs/dbraw/zinc/33/30/18/171333018.db2.gz VBITUQRSRGOBPV-INIZCTEOSA-N 0 0 257.764 4.748 10 0 CJAERN CCc1ccc(N[C@@H](C)c2ccc(CC)cc2)cc1 ZINC000021816779 171333058 /nfs/dbraw/zinc/33/30/58/171333058.db2.gz LKAMXLUQKXUVRN-AWEZNQCLSA-N 0 0 253.389 4.985 10 0 CJAERN CCc1ccc(N[C@H](C)c2ccc(CC)cc2)cc1 ZINC000021816780 171333051 /nfs/dbraw/zinc/33/30/51/171333051.db2.gz LKAMXLUQKXUVRN-CQSZACIVSA-N 0 0 253.389 4.985 10 0 CJAERN CC(C)[C@@H](C)Nc1ccccc1Oc1ccccc1 ZINC000021816782 171332999 /nfs/dbraw/zinc/33/29/99/171332999.db2.gz MLNMJEFODOZCIE-CQSZACIVSA-N 0 0 255.361 4.935 10 0 CJAERN CC(C)[C@H](C)Nc1ccccc1Oc1ccccc1 ZINC000021816784 171333027 /nfs/dbraw/zinc/33/30/27/171333027.db2.gz MLNMJEFODOZCIE-AWEZNQCLSA-N 0 0 255.361 4.935 10 0 CJAERN COc1cc(Cl)c(C)cc1NCc1c(F)cccc1F ZINC000021816828 171332934 /nfs/dbraw/zinc/33/29/34/171332934.db2.gz LLESHXHZZYRGPM-UHFFFAOYSA-N 0 0 297.732 4.547 10 0 CJAERN COc1ccc(C)cc1[C@@H](C)Nc1ccc(C)c(F)c1 ZINC000021816953 171332871 /nfs/dbraw/zinc/33/28/71/171332871.db2.gz JMDOJVVCRUHVEN-CYBMUJFWSA-N 0 0 273.351 4.624 10 0 CJAERN COc1ccc(C)cc1[C@H](C)Nc1ccc(C)c(F)c1 ZINC000021816955 171332725 /nfs/dbraw/zinc/33/27/25/171332725.db2.gz JMDOJVVCRUHVEN-ZDUSSCGKSA-N 0 0 273.351 4.624 10 0 CJAERN Clc1ccc(NC[C@H]2CC=CCC2)cc1Cl ZINC000021816967 171332904 /nfs/dbraw/zinc/33/29/04/171332904.db2.gz YBICJIGRFVOYFU-JTQLQIEISA-N 0 0 256.176 4.762 10 0 CJAERN Clc1ccc(NC[C@@H]2CC=CCC2)cc1Cl ZINC000021816969 171332825 /nfs/dbraw/zinc/33/28/25/171332825.db2.gz YBICJIGRFVOYFU-SNVBAGLBSA-N 0 0 256.176 4.762 10 0 CJAERN CCc1ccc([C@@H](C)Nc2cc(C)ccc2OC)cc1 ZINC000021816983 171333023 /nfs/dbraw/zinc/33/30/23/171333023.db2.gz QKKHGSLZJGZLDM-CQSZACIVSA-N 0 0 269.388 4.739 10 0 CJAERN CCc1ccc([C@H](C)Nc2cc(C)ccc2OC)cc1 ZINC000021816985 171332823 /nfs/dbraw/zinc/33/28/23/171332823.db2.gz QKKHGSLZJGZLDM-AWEZNQCLSA-N 0 0 269.388 4.739 10 0 CJAERN CC[C@@H](Nc1cccc2ncccc21)c1ccc(F)cc1 ZINC000021817129 171332916 /nfs/dbraw/zinc/33/29/16/171332916.db2.gz BNFGACYOOPIRIP-MRXNPFEDSA-N 0 0 280.346 4.937 10 0 CJAERN CC[C@H](Nc1cccc2ncccc21)c1ccc(F)cc1 ZINC000021817131 171332717 /nfs/dbraw/zinc/33/27/17/171332717.db2.gz BNFGACYOOPIRIP-INIZCTEOSA-N 0 0 280.346 4.937 10 0 CJAERN CCc1ccc(CNc2cccc(C(C)C)c2)cc1 ZINC000021817132 171332991 /nfs/dbraw/zinc/33/29/91/171332991.db2.gz GLYXXBXOPKJPFN-UHFFFAOYSA-N 0 0 253.389 4.985 10 0 CJAERN Cc1nc(-c2ccc(NCCC(C)C)cc2)cs1 ZINC000021817368 171332978 /nfs/dbraw/zinc/33/29/78/171332978.db2.gz MLQWKTYXDMSISJ-UHFFFAOYSA-N 0 0 260.406 4.577 10 0 CJAERN FC(F)(F)Oc1ccccc1NCC1CCCCC1 ZINC000021817395 171332874 /nfs/dbraw/zinc/33/28/74/171332874.db2.gz ZSXHWVCYRLFGJS-UHFFFAOYSA-N 0 0 273.298 4.577 10 0 CJAERN Fc1cccc(F)c1CNc1cccc(C(F)(F)F)c1 ZINC000021817578 171333413 /nfs/dbraw/zinc/33/34/13/171333413.db2.gz UHJZEIFJNVKVDA-UHFFFAOYSA-N 0 0 287.231 4.596 10 0 CJAERN C[C@@H]1C[C@@H](Nc2ccc(F)cc2F)CC(C)(C)C1 ZINC000021817591 171333299 /nfs/dbraw/zinc/33/32/99/171333299.db2.gz WZQJKTPCQFVPCO-ZYHUDNBSSA-N 0 0 253.336 4.592 10 0 CJAERN C[C@H]1C[C@@H](Nc2ccc(F)cc2F)CC(C)(C)C1 ZINC000021817593 171333261 /nfs/dbraw/zinc/33/32/61/171333261.db2.gz WZQJKTPCQFVPCO-CMPLNLGQSA-N 0 0 253.336 4.592 10 0 CJAERN C[C@@H]1C[C@H](Nc2ccc(F)cc2F)CC(C)(C)C1 ZINC000021817594 171333069 /nfs/dbraw/zinc/33/30/69/171333069.db2.gz WZQJKTPCQFVPCO-PWSUYJOCSA-N 0 0 253.336 4.592 10 0 CJAERN C[C@H]1C[C@H](Nc2ccc(F)cc2F)CC(C)(C)C1 ZINC000021817596 171333408 /nfs/dbraw/zinc/33/34/08/171333408.db2.gz WZQJKTPCQFVPCO-JQWIXIFHSA-N 0 0 253.336 4.592 10 0 CJAERN COc1ccc(Cl)cc1NCc1ccc(SC)cc1 ZINC000021817599 171333222 /nfs/dbraw/zinc/33/32/22/171333222.db2.gz PHPOUSXZDWACQU-UHFFFAOYSA-N 0 0 293.819 4.683 10 0 CJAERN COc1ccc(Cl)cc1NCc1ccc2ccccc2n1 ZINC000021817671 171333181 /nfs/dbraw/zinc/33/31/81/171333181.db2.gz IPLPOYOCEUGQIW-UHFFFAOYSA-N 0 0 298.773 4.509 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2cc(Cl)cc(Cl)c2)C1 ZINC000021817822 171333379 /nfs/dbraw/zinc/33/33/79/171333379.db2.gz BCGNZZQPQLDNHW-BXKDBHETSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@H]1CCC[C@@H](Nc2cc(Cl)cc(Cl)c2)C1 ZINC000021817823 171333067 /nfs/dbraw/zinc/33/30/67/171333067.db2.gz BCGNZZQPQLDNHW-JOYOIKCWSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2cc(Cl)cc(Cl)c2)C1 ZINC000021817825 171333240 /nfs/dbraw/zinc/33/32/40/171333240.db2.gz BCGNZZQPQLDNHW-SKDRFNHKSA-N 0 0 258.192 4.984 10 0 CJAERN C[C@H]1CCC[C@H](Nc2cc(Cl)cc(Cl)c2)C1 ZINC000021817826 171333298 /nfs/dbraw/zinc/33/32/98/171333298.db2.gz BCGNZZQPQLDNHW-CABZTGNLSA-N 0 0 258.192 4.984 10 0 CJAERN CC[C@@H](C)[C@@H](C)Nc1ccc(C)cc1Br ZINC000021817996 171333253 /nfs/dbraw/zinc/33/32/53/171333253.db2.gz QPTWQEQDQPHWME-GHMZBOCLSA-N 0 0 270.214 4.604 10 0 CJAERN CC[C@H](C)[C@@H](C)Nc1ccc(C)cc1Br ZINC000021817997 171333363 /nfs/dbraw/zinc/33/33/63/171333363.db2.gz QPTWQEQDQPHWME-WDEREUQCSA-N 0 0 270.214 4.604 10 0 CJAERN CC[C@@H](C)[C@H](C)Nc1ccc(C)cc1Br ZINC000021817999 171333308 /nfs/dbraw/zinc/33/33/08/171333308.db2.gz QPTWQEQDQPHWME-MNOVXSKESA-N 0 0 270.214 4.604 10 0 CJAERN CC[C@H](C)[C@H](C)Nc1ccc(C)cc1Br ZINC000021818001 171333076 /nfs/dbraw/zinc/33/30/76/171333076.db2.gz QPTWQEQDQPHWME-QWRGUYRKSA-N 0 0 270.214 4.604 10 0 CJAERN C[C@@H](Nc1ccc(F)c(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000021818013 171333107 /nfs/dbraw/zinc/33/31/07/171333107.db2.gz XKJVMQVZBVHSKM-HDPALTEOSA-N 0 0 291.385 4.982 10 0 CJAERN C[C@H](Nc1ccc(F)c(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000021818014 171333271 /nfs/dbraw/zinc/33/32/71/171333271.db2.gz XKJVMQVZBVHSKM-IWERZKIRSA-N 0 0 291.385 4.982 10 0 CJAERN Fc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1F ZINC000021818110 171333089 /nfs/dbraw/zinc/33/30/89/171333089.db2.gz IUHMTLXYNIVLES-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Cc1c(Cl)cccc1NCc1ccc(Cl)s1 ZINC000021818465 171333787 /nfs/dbraw/zinc/33/37/87/171333787.db2.gz DCUBRNXDVAZSGS-UHFFFAOYSA-N 0 0 272.200 4.975 10 0 CJAERN CCCOc1ccccc1Oc1ccc(Cl)cc1N ZINC000021818498 171333622 /nfs/dbraw/zinc/33/36/22/171333622.db2.gz FCFFYFXSADLKTO-UHFFFAOYSA-N 0 0 277.751 4.503 10 0 CJAERN Cc1cccc(N[C@@H]2CCCCc3ccccc32)c1 ZINC000021818541 171333897 /nfs/dbraw/zinc/33/38/97/171333897.db2.gz FJWHNFCVSIBUHX-GOSISDBHSA-N 0 0 251.373 4.875 10 0 CJAERN Cc1cccc(N[C@H]2CCCCc3ccccc32)c1 ZINC000021818543 171333567 /nfs/dbraw/zinc/33/35/67/171333567.db2.gz FJWHNFCVSIBUHX-SFHVURJKSA-N 0 0 251.373 4.875 10 0 CJAERN Nc1cccc(Cl)c1Sc1nc2ccccc2s1 ZINC000021818576 171333866 /nfs/dbraw/zinc/33/38/66/171333866.db2.gz KRNJVHVRCGBREM-UHFFFAOYSA-N 0 0 292.816 4.683 10 0 CJAERN FC(F)(F)Oc1cccc(N[C@@H]2CCc3ccccc32)c1 ZINC000021818709 171333819 /nfs/dbraw/zinc/33/38/19/171333819.db2.gz KHUZVVKAJQYXPO-OAHLLOKOSA-N 0 0 293.288 4.685 10 0 CJAERN FC(F)(F)Oc1cccc(N[C@H]2CCc3ccccc32)c1 ZINC000021818711 171333594 /nfs/dbraw/zinc/33/35/94/171333594.db2.gz KHUZVVKAJQYXPO-HNNXBMFYSA-N 0 0 293.288 4.685 10 0 CJAERN Cc1ccc(C)c([C@@H](C)Nc2ccc(C)c(F)c2)c1 ZINC000021818747 171333816 /nfs/dbraw/zinc/33/38/16/171333816.db2.gz TYQJICXBRCRNKZ-CQSZACIVSA-N 0 0 257.352 4.924 10 0 CJAERN Cc1ccc(C)c([C@H](C)Nc2ccc(C)c(F)c2)c1 ZINC000021818749 171333640 /nfs/dbraw/zinc/33/36/40/171333640.db2.gz TYQJICXBRCRNKZ-AWEZNQCLSA-N 0 0 257.352 4.924 10 0 CJAERN COc1ccc(N[C@@H](C)c2ccc(C(C)C)cc2)cc1 ZINC000021818956 171333881 /nfs/dbraw/zinc/33/38/81/171333881.db2.gz MZKVMIRXDMZXLR-AWEZNQCLSA-N 0 0 269.388 4.992 10 0 CJAERN COc1ccc(N[C@H](C)c2ccc(C(C)C)cc2)cc1 ZINC000021818958 171333553 /nfs/dbraw/zinc/33/35/53/171333553.db2.gz MZKVMIRXDMZXLR-CQSZACIVSA-N 0 0 269.388 4.992 10 0 CJAERN CCOc1ccccc1[C@@H](C)Nc1ccc(Cl)cc1 ZINC000021819004 171333756 /nfs/dbraw/zinc/33/37/56/171333756.db2.gz GRVYUNCNUUIOHO-GFCCVEGCSA-N 0 0 275.779 4.912 10 0 CJAERN CCOc1ccccc1[C@H](C)Nc1ccc(Cl)cc1 ZINC000021819006 171333672 /nfs/dbraw/zinc/33/36/72/171333672.db2.gz GRVYUNCNUUIOHO-LBPRGKRZSA-N 0 0 275.779 4.912 10 0 CJAERN COc1cc(Cl)c(C)cc1NCc1cccc(C)c1 ZINC000021819012 171333623 /nfs/dbraw/zinc/33/36/23/171333623.db2.gz NJEDQBQJOABVAY-UHFFFAOYSA-N 0 0 275.779 4.578 10 0 CJAERN CC(C)Oc1ccc([C@@H](C)Nc2ccccc2F)cc1 ZINC000021819126 171333766 /nfs/dbraw/zinc/33/37/66/171333766.db2.gz GFTCPKIUOPWTRB-CYBMUJFWSA-N 0 0 273.351 4.786 10 0 CJAERN CC(C)Oc1ccc([C@H](C)Nc2ccccc2F)cc1 ZINC000021819128 171333804 /nfs/dbraw/zinc/33/38/04/171333804.db2.gz GFTCPKIUOPWTRB-ZDUSSCGKSA-N 0 0 273.351 4.786 10 0 CJAERN CCC[C@@H](C)CNc1ccc(OC(F)F)c(Cl)c1 ZINC000021819184 171334245 /nfs/dbraw/zinc/33/42/45/171334245.db2.gz HTFYUFGOHRDFTJ-SECBINFHSA-N 0 0 277.742 4.790 10 0 CJAERN CCC[C@H](C)CNc1ccc(OC(F)F)c(Cl)c1 ZINC000021819186 171334204 /nfs/dbraw/zinc/33/42/04/171334204.db2.gz HTFYUFGOHRDFTJ-VIFPVBQESA-N 0 0 277.742 4.790 10 0 CJAERN C[C@@H](Nc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000021819289 171334211 /nfs/dbraw/zinc/33/42/11/171334211.db2.gz NQDLLWHRKLSUEI-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000021819291 171334284 /nfs/dbraw/zinc/33/42/84/171334284.db2.gz NQDLLWHRKLSUEI-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN Clc1cccc(NCc2cc3ccccc3o2)c1 ZINC000021819357 171334265 /nfs/dbraw/zinc/33/42/65/171334265.db2.gz CRJXZTOABMMALG-UHFFFAOYSA-N 0 0 257.720 4.698 10 0 CJAERN CC[C@@H](Nc1cc(F)cc(F)c1)c1ccc(C)cc1 ZINC000021819427 171334070 /nfs/dbraw/zinc/33/40/70/171334070.db2.gz DQZVPTNNDDUOHU-MRXNPFEDSA-N 0 0 261.315 4.836 10 0 CJAERN CC[C@H](Nc1cc(F)cc(F)c1)c1ccc(C)cc1 ZINC000021819428 171334295 /nfs/dbraw/zinc/33/42/95/171334295.db2.gz DQZVPTNNDDUOHU-INIZCTEOSA-N 0 0 261.315 4.836 10 0 CJAERN CC(=O)Nc1cccc(NC2CCC(C(C)(C)C)CC2)c1 ZINC000021819444 171334223 /nfs/dbraw/zinc/33/42/23/171334223.db2.gz AVULQSQEABMXKN-UHFFFAOYSA-N 0 0 288.435 4.662 10 0 CJAERN Cc1ccc(F)cc1NCc1ccc2ccccc2c1 ZINC000021819505 171334280 /nfs/dbraw/zinc/33/42/80/171334280.db2.gz ZNHDBKRPDKGMSA-UHFFFAOYSA-N 0 0 265.331 4.899 10 0 CJAERN CC[C@@H](Nc1cc(C)ccc1OC)c1ccc(F)cc1 ZINC000021819657 171333999 /nfs/dbraw/zinc/33/39/99/171333999.db2.gz UFUAJIYGDKKFAB-OAHLLOKOSA-N 0 0 273.351 4.706 10 0 CJAERN CC[C@H](Nc1cc(C)ccc1OC)c1ccc(F)cc1 ZINC000021819659 171334121 /nfs/dbraw/zinc/33/41/21/171334121.db2.gz UFUAJIYGDKKFAB-HNNXBMFYSA-N 0 0 273.351 4.706 10 0 CJAERN CCc1ccc(CNc2ccccc2Cl)s1 ZINC000021819675 171334259 /nfs/dbraw/zinc/33/42/59/171334259.db2.gz RZRSZYSBEAFVPL-UHFFFAOYSA-N 0 0 251.782 4.576 10 0 CJAERN Cc1ccc([C@@H](NCC(F)(F)F)c2ccccc2)c(C)c1 ZINC000021819752 171334248 /nfs/dbraw/zinc/33/42/48/171334248.db2.gz HQOPHSPOFHGALG-INIZCTEOSA-N 0 0 293.332 4.545 10 0 CJAERN Cc1ccc([C@H](NCC(F)(F)F)c2ccccc2)c(C)c1 ZINC000021819754 171334275 /nfs/dbraw/zinc/33/42/75/171334275.db2.gz HQOPHSPOFHGALG-MRXNPFEDSA-N 0 0 293.332 4.545 10 0 CJAERN Cc1ccc(Cl)cc1NCc1ccc(F)cc1F ZINC000021819942 171334045 /nfs/dbraw/zinc/33/40/45/171334045.db2.gz BCPBDIYOCITIKD-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Fc1ccc(NCc2ccccc2C(F)(F)F)c(F)c1 ZINC000021820053 171334178 /nfs/dbraw/zinc/33/41/78/171334178.db2.gz BEFZESSKLLGOMK-UHFFFAOYSA-N 0 0 287.231 4.596 10 0 CJAERN Oc1ccc(-c2nc(C3CCCCC3)cs2)cc1 ZINC000021891622 171336268 /nfs/dbraw/zinc/33/62/68/171336268.db2.gz DXFMBUGLWCYZDH-UHFFFAOYSA-N 0 0 259.374 4.563 10 0 CJAERN O=Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1F ZINC000021950514 171339589 /nfs/dbraw/zinc/33/95/89/171339589.db2.gz QOYAUCUEKKHKJT-UHFFFAOYSA-N 0 0 269.102 4.612 10 0 CJAERN CC(C)(C)c1ccc(-c2ccc(F)c(C=O)c2)cc1 ZINC000021950554 171339400 /nfs/dbraw/zinc/33/94/00/171339400.db2.gz CKGNNCMNADJRDY-UHFFFAOYSA-N 0 0 256.320 4.603 10 0 CJAERN CCC(=O)c1cccc(-c2cccc(C(F)(F)F)c2)c1 ZINC000021950590 171339239 /nfs/dbraw/zinc/33/92/39/171339239.db2.gz AAGSHXUDTJKLIY-UHFFFAOYSA-N 0 0 278.273 4.965 10 0 CJAERN O=Cc1cc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000021950614 171339443 /nfs/dbraw/zinc/33/94/43/171339443.db2.gz XUFIRGPNCWTFRF-UHFFFAOYSA-N 0 0 257.141 4.534 10 0 CJAERN CC(=O)c1ccc(-c2ccccc2OC(F)(F)F)s1 ZINC000021950693 171339387 /nfs/dbraw/zinc/33/93/87/171339387.db2.gz JVLRHWAMOMTXRM-UHFFFAOYSA-N 0 0 286.274 4.516 10 0 CJAERN CC(C)(C)c1ccc(-c2cc(C=O)ccc2F)cc1 ZINC000021950696 171339323 /nfs/dbraw/zinc/33/93/23/171339323.db2.gz JVNKGZFUCJQKSH-UHFFFAOYSA-N 0 0 256.320 4.603 10 0 CJAERN CC(=O)c1ccccc1-c1ccc(Cl)c(Cl)c1 ZINC000021950703 171339459 /nfs/dbraw/zinc/33/94/59/171339459.db2.gz RRHNHVBYGRCHMD-UHFFFAOYSA-N 0 0 265.139 4.863 10 0 CJAERN Nc1ccc(-c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000021950723 171339484 /nfs/dbraw/zinc/33/94/84/171339484.db2.gz HMKCSBPZXWNOAN-UHFFFAOYSA-N 0 0 272.562 4.896 10 0 CJAERN Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1Cl ZINC000021950726 171339515 /nfs/dbraw/zinc/33/95/15/171339515.db2.gz UIQVGNBVAFGIGH-UHFFFAOYSA-N 0 0 271.669 4.608 10 0 CJAERN CCC(=O)c1cccc(-c2ccccc2OC(F)(F)F)c1 ZINC000021950771 171339756 /nfs/dbraw/zinc/33/97/56/171339756.db2.gz RPEBAOOBNSSYLF-UHFFFAOYSA-N 0 0 294.272 4.845 10 0 CJAERN O=Cc1ccc(F)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000021950779 171339792 /nfs/dbraw/zinc/33/97/92/171339792.db2.gz LRZAWLOQLAVZLE-UHFFFAOYSA-N 0 0 269.102 4.612 10 0 CJAERN Cc1cc(N)ccc1-c1ccc(Cl)c(Cl)c1 ZINC000021950801 171339779 /nfs/dbraw/zinc/33/97/79/171339779.db2.gz OEBAFSLFFPZQPK-UHFFFAOYSA-N 0 0 252.144 4.551 10 0 CJAERN O=Cc1cc(-c2ccc(Cl)c(Cl)c2)ccc1F ZINC000021950803 171339813 /nfs/dbraw/zinc/33/98/13/171339813.db2.gz ZLLQIRUPAWUGBR-UHFFFAOYSA-N 0 0 269.102 4.612 10 0 CJAERN FC(F)(F)Oc1ccccc1-c1ccc2[nH]ccc2c1 ZINC000021950869 171339726 /nfs/dbraw/zinc/33/97/26/171339726.db2.gz RAOMSOHHNZZQTB-UHFFFAOYSA-N 0 0 277.245 4.734 10 0 CJAERN Cc1cc(-c2ccc(Cl)c(Cl)c2)ccc1N ZINC000021950884 171339835 /nfs/dbraw/zinc/33/98/35/171339835.db2.gz CSQRVUOFVRNHRY-UHFFFAOYSA-N 0 0 252.144 4.551 10 0 CJAERN CC(=O)c1cccc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000021950920 171339863 /nfs/dbraw/zinc/33/98/63/171339863.db2.gz WQFRLAUGZUQORY-UHFFFAOYSA-N 0 0 265.139 4.863 10 0 CJAERN CCC(=O)c1ccc(-c2ccccc2OC(F)(F)F)cc1 ZINC000021950949 171339759 /nfs/dbraw/zinc/33/97/59/171339759.db2.gz MLBFUGCPBOLTDF-UHFFFAOYSA-N 0 0 294.272 4.845 10 0 CJAERN CC1=CC(C)(C)Nc2ccc(NC(=O)OC(C)(C)C)cc21 ZINC000021987597 171345759 /nfs/dbraw/zinc/34/57/59/171345759.db2.gz TXFUWJLANVJXMK-UHFFFAOYSA-N 0 0 288.391 4.641 10 0 CJAERN CCc1cc2cc([C@@H](O)CC(C)C)ccc2nc1Cl ZINC000021987848 171345638 /nfs/dbraw/zinc/34/56/38/171345638.db2.gz BYAHMBPJQHCWBR-HNNXBMFYSA-N 0 0 277.795 4.530 10 0 CJAERN CCc1cc2cc([C@H](O)CC(C)C)ccc2nc1Cl ZINC000021987850 171345712 /nfs/dbraw/zinc/34/57/12/171345712.db2.gz BYAHMBPJQHCWBR-OAHLLOKOSA-N 0 0 277.795 4.530 10 0 CJAERN CCc1cc2cc(C(=O)CC(C)C)ccc2nc1Cl ZINC000021987852 171345621 /nfs/dbraw/zinc/34/56/21/171345621.db2.gz ORAWYVVFXHNMJS-UHFFFAOYSA-N 0 0 275.779 4.679 10 0 CJAERN CCCc1cc2cc(Br)ccc2nc1Cl ZINC000021987861 171345619 /nfs/dbraw/zinc/34/56/19/171345619.db2.gz CSGGIZSDFHATOI-UHFFFAOYSA-N 0 0 284.584 4.603 10 0 CJAERN COc1ccc2cc(-c3cc(OC)cc(OC)c3)ccc2c1 ZINC000021995029 171347210 /nfs/dbraw/zinc/34/72/10/171347210.db2.gz FMOKYAYPFVBPIG-UHFFFAOYSA-N 0 0 294.350 4.533 10 0 CJAERN Clc1cc(Br)ccc1Nc1ccccc1 ZINC000021997268 171347877 /nfs/dbraw/zinc/34/78/77/171347877.db2.gz IINXCCOXHYHTOE-UHFFFAOYSA-N 0 0 282.568 4.846 10 0 CJAERN CC(C)(C)COc1cccc(OCc2ccccc2)c1 ZINC000021997936 171347833 /nfs/dbraw/zinc/34/78/33/171347833.db2.gz ABALGLWJKUDBLU-UHFFFAOYSA-N 0 0 270.372 4.691 10 0 CJAERN CCC(CC)Oc1cccc(OCc2ccccc2)c1 ZINC000021997940 171347634 /nfs/dbraw/zinc/34/76/34/171347634.db2.gz ZPSRDVCIAAIURE-UHFFFAOYSA-N 0 0 270.372 4.833 10 0 CJAERN CCC(CC)Oc1ccccc1OCc1ccccc1 ZINC000021997944 171347862 /nfs/dbraw/zinc/34/78/62/171347862.db2.gz NJCGHVUTAJFYMP-UHFFFAOYSA-N 0 0 270.372 4.833 10 0 CJAERN O=C1Cc2ccccc2N(Cc2ccccc2)c2ccccc21 ZINC000022050536 171350908 /nfs/dbraw/zinc/35/09/08/171350908.db2.gz HPCYLTILMWPHLP-UHFFFAOYSA-N 0 0 299.373 4.764 10 0 in-vitro CJAERN Clc1ccc2c(c1)N=C(Cl)c1ccccc1N2 ZINC000022056993 171351347 /nfs/dbraw/zinc/35/13/47/171351347.db2.gz SCBOZTWAALXNEK-UHFFFAOYSA-N 0 0 263.127 4.714 10 0 CJAERN COc1cc(Cl)c(Nc2ccccc2)c(Cl)c1 ZINC000022057023 171351192 /nfs/dbraw/zinc/35/11/92/171351192.db2.gz LFQDRMOMEHWBMB-UHFFFAOYSA-N 0 0 268.143 4.746 10 0 in-vitro CJAERN Oc1ccc(/C(=C\c2ccccc2)c2ccccc2)cc1 ZINC000022058182 171351409 /nfs/dbraw/zinc/35/14/09/171351409.db2.gz OFKRFZKNGJTQCG-HKWRFOASSA-N 0 0 272.347 4.981 10 0 CJAERN Brc1ccccc1NC1CCCCCC1 ZINC000022145982 171356631 /nfs/dbraw/zinc/35/66/31/171356631.db2.gz IMEYUEOBFRKQLD-UHFFFAOYSA-N 0 0 268.198 4.584 10 0 CJAERN Cc1ccc(CNc2cc(Cl)ccc2C)s1 ZINC000022146851 171356721 /nfs/dbraw/zinc/35/67/21/171356721.db2.gz BFJRJOCVFXZNBY-UHFFFAOYSA-N 0 0 251.782 4.630 10 0 CJAERN C[C@@H]1C[C@@H](Nc2ccc(F)c(F)c2F)CC(C)(C)C1 ZINC000022146966 171356780 /nfs/dbraw/zinc/35/67/80/171356780.db2.gz XGWPVEJNWUYUJC-NXEZZACHSA-N 0 0 271.326 4.731 10 0 CJAERN C[C@H]1C[C@@H](Nc2ccc(F)c(F)c2F)CC(C)(C)C1 ZINC000022146970 171356819 /nfs/dbraw/zinc/35/68/19/171356819.db2.gz XGWPVEJNWUYUJC-VHSXEESVSA-N 0 0 271.326 4.731 10 0 CJAERN C[C@@H]1C[C@H](Nc2ccc(F)c(F)c2F)CC(C)(C)C1 ZINC000022146974 171356892 /nfs/dbraw/zinc/35/68/92/171356892.db2.gz XGWPVEJNWUYUJC-ZJUUUORDSA-N 0 0 271.326 4.731 10 0 CJAERN C[C@H]1C[C@H](Nc2ccc(F)c(F)c2F)CC(C)(C)C1 ZINC000022146977 171356637 /nfs/dbraw/zinc/35/66/37/171356637.db2.gz XGWPVEJNWUYUJC-UWVGGRQHSA-N 0 0 271.326 4.731 10 0 CJAERN CC(=O)c1cc(F)ccc1Oc1ccccc1C(F)(F)F ZINC000022147040 171356669 /nfs/dbraw/zinc/35/66/69/171356669.db2.gz GRVAYKZAQHCAGP-UHFFFAOYSA-N 0 0 298.235 4.839 10 0 CJAERN Fc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1F ZINC000022147263 171357013 /nfs/dbraw/zinc/35/70/13/171357013.db2.gz JDDGSALVJMQCGM-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN C[C@@H](CCc1ccccc1)Nc1cccc2ncccc21 ZINC000022147595 171357035 /nfs/dbraw/zinc/35/70/35/171357035.db2.gz VDMPZELUHLDDQK-HNNXBMFYSA-N 0 0 276.383 4.668 10 0 CJAERN C[C@H](CCc1ccccc1)Nc1cccc2ncccc21 ZINC000022147599 171357243 /nfs/dbraw/zinc/35/72/43/171357243.db2.gz VDMPZELUHLDDQK-OAHLLOKOSA-N 0 0 276.383 4.668 10 0 CJAERN CC[C@@H](C)CNc1ccc2c(c1)Cc1ccccc1-2 ZINC000022147622 171357358 /nfs/dbraw/zinc/35/73/58/171357358.db2.gz JFANHAHORXMCQR-CYBMUJFWSA-N 0 0 251.373 4.716 10 0 CJAERN CC[C@H](C)CNc1ccc2c(c1)Cc1ccccc1-2 ZINC000022147627 171357390 /nfs/dbraw/zinc/35/73/90/171357390.db2.gz JFANHAHORXMCQR-ZDUSSCGKSA-N 0 0 251.373 4.716 10 0 CJAERN Fc1ccc(F)c(NCc2cccc(Cl)c2Cl)c1 ZINC000022147844 171357004 /nfs/dbraw/zinc/35/70/04/171357004.db2.gz AWGBVFWZDAYITN-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN CCOc1ccccc1[C@@H](C)Nc1ccccc1Cl ZINC000022148009 171357207 /nfs/dbraw/zinc/35/72/07/171357207.db2.gz DKEHVQNFRNCFET-GFCCVEGCSA-N 0 0 275.779 4.912 10 0 CJAERN CCOc1ccccc1[C@H](C)Nc1ccccc1Cl ZINC000022148013 171357070 /nfs/dbraw/zinc/35/70/70/171357070.db2.gz DKEHVQNFRNCFET-LBPRGKRZSA-N 0 0 275.779 4.912 10 0 CJAERN Fc1cccc(F)c1CNc1cc(Cl)ccc1Cl ZINC000022148083 171357533 /nfs/dbraw/zinc/35/75/33/171357533.db2.gz JMVWWVJNRXTMDV-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN C[C@@H](Nc1ccccc1Cl)c1c(F)cccc1F ZINC000022148539 171357492 /nfs/dbraw/zinc/35/74/92/171357492.db2.gz SSWYVVJVAZTAJD-SECBINFHSA-N 0 0 267.706 4.791 10 0 CJAERN C[C@H](Nc1ccccc1Cl)c1c(F)cccc1F ZINC000022148542 171357587 /nfs/dbraw/zinc/35/75/87/171357587.db2.gz SSWYVVJVAZTAJD-VIFPVBQESA-N 0 0 267.706 4.791 10 0 CJAERN FC(F)(F)c1ccccc1N[C@@H]1CCc2ccccc21 ZINC000022148660 171357701 /nfs/dbraw/zinc/35/77/01/171357701.db2.gz YSSHQYCHPQOLFK-CQSZACIVSA-N 0 0 277.289 4.805 10 0 CJAERN FC(F)(F)c1ccccc1N[C@H]1CCc2ccccc21 ZINC000022148663 171357656 /nfs/dbraw/zinc/35/76/56/171357656.db2.gz YSSHQYCHPQOLFK-AWEZNQCLSA-N 0 0 277.289 4.805 10 0 CJAERN CCCCCNc1ccc(-c2csc(C)n2)cc1 ZINC000022148731 171357713 /nfs/dbraw/zinc/35/77/13/171357713.db2.gz GDRHXDCMSYDKFZ-UHFFFAOYSA-N 0 0 260.406 4.721 10 0 CJAERN Cc1c(Cl)cccc1N[C@H](C)c1ccc(F)cc1 ZINC000022148797 171357513 /nfs/dbraw/zinc/35/75/13/171357513.db2.gz IEMVHBOORXTFKM-LLVKDONJSA-N 0 0 263.743 4.961 10 0 CJAERN Cc1c(Cl)cccc1N[C@@H](C)c1ccc(F)cc1 ZINC000022148801 171357535 /nfs/dbraw/zinc/35/75/35/171357535.db2.gz IEMVHBOORXTFKM-NSHDSACASA-N 0 0 263.743 4.961 10 0 CJAERN Cc1ccc(N[C@H](C)c2cccs2)cc1Cl ZINC000022149159 171358116 /nfs/dbraw/zinc/35/81/16/171358116.db2.gz JRKHEZSXYUBIFI-SNVBAGLBSA-N 0 0 251.782 4.883 10 0 CJAERN Cc1ccc(N[C@@H](C)c2cccs2)cc1Cl ZINC000022149162 171358142 /nfs/dbraw/zinc/35/81/42/171358142.db2.gz JRKHEZSXYUBIFI-JTQLQIEISA-N 0 0 251.782 4.883 10 0 CJAERN CCOc1ccccc1N[C@@H]1CCCc2ccccc21 ZINC000022149223 171358007 /nfs/dbraw/zinc/35/80/07/171358007.db2.gz LOWSWMSRPPNSMS-MRXNPFEDSA-N 0 0 267.372 4.575 10 0 CJAERN CCOc1ccccc1N[C@H]1CCCc2ccccc21 ZINC000022149226 171358031 /nfs/dbraw/zinc/35/80/31/171358031.db2.gz LOWSWMSRPPNSMS-INIZCTEOSA-N 0 0 267.372 4.575 10 0 CJAERN CC(=O)c1ccccc1Oc1cccc2ccccc21 ZINC000022149344 171357895 /nfs/dbraw/zinc/35/78/95/171357895.db2.gz MMXNGQITPHHATB-UHFFFAOYSA-N 0 0 262.308 4.835 10 0 CJAERN c1csc(CNc2ccccc2Cc2ccccc2)c1 ZINC000022149409 171358022 /nfs/dbraw/zinc/35/80/22/171358022.db2.gz HWLBURZJECEAQY-UHFFFAOYSA-N 0 0 279.408 4.951 10 0 CJAERN CC(C)(C)c1ccccc1OCc1ccc(Cl)nc1 ZINC000022149413 171358061 /nfs/dbraw/zinc/35/80/61/171358061.db2.gz BJRVCEJJGMUEBV-UHFFFAOYSA-N 0 0 275.779 4.612 10 0 CJAERN Cc1ccc(NCc2ccccc2OC(F)(F)F)cc1C ZINC000022149466 171357959 /nfs/dbraw/zinc/35/79/59/171357959.db2.gz RFSDMIPDFCLBND-UHFFFAOYSA-N 0 0 295.304 4.814 10 0 CJAERN CC[C@@H](C)C[C@@H](CC)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000022149693 171357935 /nfs/dbraw/zinc/35/79/35/171357935.db2.gz AMBBGDIEKREVPO-GHMZBOCLSA-N 0 0 285.334 4.635 10 0 CJAERN CC[C@H](C[C@@H](C)CC)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000022149697 171357990 /nfs/dbraw/zinc/35/79/90/171357990.db2.gz AMBBGDIEKREVPO-WDEREUQCSA-N 0 0 285.334 4.635 10 0 CJAERN CC[C@@H](C)C[C@H](CC)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000022149701 171358133 /nfs/dbraw/zinc/35/81/33/171358133.db2.gz AMBBGDIEKREVPO-MNOVXSKESA-N 0 0 285.334 4.635 10 0 CJAERN CC[C@H](C)C[C@H](CC)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000022149705 171357852 /nfs/dbraw/zinc/35/78/52/171357852.db2.gz AMBBGDIEKREVPO-QWRGUYRKSA-N 0 0 285.334 4.635 10 0 CJAERN Cc1cc(Cl)ccc1NC[C@H](C)c1ccccc1 ZINC000022149994 171358327 /nfs/dbraw/zinc/35/83/27/171358327.db2.gz DEHYWTAHQVNPDH-ZDUSSCGKSA-N 0 0 259.780 4.864 10 0 CJAERN Cc1cc(Cl)ccc1NC[C@@H](C)c1ccccc1 ZINC000022149998 171358186 /nfs/dbraw/zinc/35/81/86/171358186.db2.gz DEHYWTAHQVNPDH-CYBMUJFWSA-N 0 0 259.780 4.864 10 0 CJAERN C[C@@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1 ZINC000022150066 171358188 /nfs/dbraw/zinc/35/81/88/171358188.db2.gz UYCOROFNYFJADK-MFKMUULPSA-N 0 0 257.299 4.696 10 0 CJAERN C[C@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1 ZINC000022150069 171358306 /nfs/dbraw/zinc/35/83/06/171358306.db2.gz UYCOROFNYFJADK-GWCFXTLKSA-N 0 0 257.299 4.696 10 0 CJAERN C[C@@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)cc1 ZINC000022150073 171358281 /nfs/dbraw/zinc/35/82/81/171358281.db2.gz UYCOROFNYFJADK-ZWNOBZJWSA-N 0 0 257.299 4.696 10 0 CJAERN C[C@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)cc1 ZINC000022150075 171358197 /nfs/dbraw/zinc/35/81/97/171358197.db2.gz UYCOROFNYFJADK-GXFFZTMASA-N 0 0 257.299 4.696 10 0 CJAERN CC[C@@H](Nc1cc(OC)ccc1OC)c1ccc(C)cc1 ZINC000022151092 171358504 /nfs/dbraw/zinc/35/85/04/171358504.db2.gz USBDSHCLCKYFCD-MRXNPFEDSA-N 0 0 285.387 4.575 10 0 CJAERN CC[C@H](Nc1cc(OC)ccc1OC)c1ccc(C)cc1 ZINC000022151096 171358487 /nfs/dbraw/zinc/35/84/87/171358487.db2.gz USBDSHCLCKYFCD-INIZCTEOSA-N 0 0 285.387 4.575 10 0 CJAERN Cc1ccc(CNc2ccccc2OC(F)(F)F)cc1 ZINC000022151100 171358765 /nfs/dbraw/zinc/35/87/65/171358765.db2.gz ZERYSQWHBOXJFK-UHFFFAOYSA-N 0 0 281.277 4.506 10 0 CJAERN CC[C@@H](Nc1ccc(F)cc1F)c1ccc(C)cc1 ZINC000022151366 171358568 /nfs/dbraw/zinc/35/85/68/171358568.db2.gz UAGWALOVYBYBBK-OAHLLOKOSA-N 0 0 261.315 4.836 10 0 CJAERN CC[C@H](Nc1ccc(F)cc1F)c1ccc(C)cc1 ZINC000022151370 171358564 /nfs/dbraw/zinc/35/85/64/171358564.db2.gz UAGWALOVYBYBBK-HNNXBMFYSA-N 0 0 261.315 4.836 10 0 CJAERN Fc1ccc(CNc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000022151441 171358782 /nfs/dbraw/zinc/35/87/82/171358782.db2.gz ZIERJIACZZMAPP-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN CSc1ccc(CNc2ccccc2Cl)cc1 ZINC000022151494 171358689 /nfs/dbraw/zinc/35/86/89/171358689.db2.gz SQNWFCMEXWECLV-UHFFFAOYSA-N 0 0 263.793 4.674 10 0 CJAERN CCOc1ccccc1[C@@H](C)Nc1cc(F)ccc1C ZINC000022151575 171358497 /nfs/dbraw/zinc/35/84/97/171358497.db2.gz VNCPFCDZXSENCC-CYBMUJFWSA-N 0 0 273.351 4.706 10 0 CJAERN CCOc1ccccc1[C@H](C)Nc1cc(F)ccc1C ZINC000022151578 171358747 /nfs/dbraw/zinc/35/87/47/171358747.db2.gz VNCPFCDZXSENCC-ZDUSSCGKSA-N 0 0 273.351 4.706 10 0 CJAERN Cc1cc([C@@H](C)Nc2ccc(F)c(F)c2)c(C)s1 ZINC000022151743 171358874 /nfs/dbraw/zinc/35/88/74/171358874.db2.gz MOBPBVDPNVCLLQ-SECBINFHSA-N 0 0 267.344 4.816 10 0 CJAERN Cc1cc([C@H](C)Nc2ccc(F)c(F)c2)c(C)s1 ZINC000022151747 171358953 /nfs/dbraw/zinc/35/89/53/171358953.db2.gz MOBPBVDPNVCLLQ-VIFPVBQESA-N 0 0 267.344 4.816 10 0 CJAERN CCc1ccc(CNc2cccc(Cl)c2C)s1 ZINC000022151765 171358868 /nfs/dbraw/zinc/35/88/68/171358868.db2.gz GCNAQNSMMHXHBY-UHFFFAOYSA-N 0 0 265.809 4.884 10 0 CJAERN Cc1ccc([C@@H](C)Nc2ccc3c(c2)CCC3)cc1C ZINC000022151964 171359008 /nfs/dbraw/zinc/35/90/08/171359008.db2.gz SWEOIBHDWCDSJW-OAHLLOKOSA-N 0 0 265.400 4.965 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc3c(c2)CCC3)cc1C ZINC000022151968 171359201 /nfs/dbraw/zinc/35/92/01/171359201.db2.gz SWEOIBHDWCDSJW-HNNXBMFYSA-N 0 0 265.400 4.965 10 0 CJAERN Cc1ccc(F)cc1N[C@H](c1ccco1)c1ccccc1 ZINC000022152159 171358879 /nfs/dbraw/zinc/35/88/79/171358879.db2.gz TWYMBNOBZWOFPQ-SFHVURJKSA-N 0 0 281.330 4.929 10 0 CJAERN Cc1ccc(F)cc1N[C@@H](c1ccco1)c1ccccc1 ZINC000022152163 171359267 /nfs/dbraw/zinc/35/92/67/171359267.db2.gz TWYMBNOBZWOFPQ-GOSISDBHSA-N 0 0 281.330 4.929 10 0 CJAERN Cc1ccc(CNc2cccc(Cl)c2C)c(C)c1 ZINC000022152329 171359599 /nfs/dbraw/zinc/35/95/99/171359599.db2.gz YJAIBSVPBQURJL-UHFFFAOYSA-N 0 0 259.780 4.877 10 0 CJAERN COc1ccc(Oc2ccc(F)cc2N)c(C(C)(C)C)c1 ZINC000022152564 171359387 /nfs/dbraw/zinc/35/93/87/171359387.db2.gz KSQYADRAYBOGDD-UHFFFAOYSA-N 0 0 289.350 4.506 10 0 CJAERN CCCC1CCC(Nc2cc(F)cc(F)c2)CC1 ZINC000022152768 171360014 /nfs/dbraw/zinc/36/00/14/171360014.db2.gz YVOUXJKSTDRZQV-UHFFFAOYSA-N 0 0 253.336 4.736 10 0 CJAERN CC(=O)c1ccc(Sc2ccc(C)cc2C)cc1 ZINC000022152772 171360252 /nfs/dbraw/zinc/36/02/52/171360252.db2.gz DKALKXWXEQGAIT-UHFFFAOYSA-N 0 0 256.370 4.657 10 0 CJAERN CCc1ccc(CNc2ccccc2C(C)C)cc1 ZINC000022153010 171360276 /nfs/dbraw/zinc/36/02/76/171360276.db2.gz MIXFAEJJHIWFHT-UHFFFAOYSA-N 0 0 253.389 4.985 10 0 CJAERN Cc1cc(NC2[C@H](C)CCC[C@H]2C)ccc1Br ZINC000022153271 171360112 /nfs/dbraw/zinc/36/01/12/171360112.db2.gz OESAMAZCWZQDGF-GHMZBOCLSA-N 0 0 296.252 4.994 10 0 CJAERN Cc1cc(NC2[C@H](C)CCC[C@@H]2C)ccc1Br ZINC000022153275 171359917 /nfs/dbraw/zinc/35/99/17/171359917.db2.gz OESAMAZCWZQDGF-YWXMQNBFSA-N 0 0 296.252 4.994 10 0 CJAERN Cc1cc(NC2[C@@H](C)CCC[C@@H]2C)ccc1Br ZINC000022153281 171360278 /nfs/dbraw/zinc/36/02/78/171360278.db2.gz OESAMAZCWZQDGF-QWRGUYRKSA-N 0 0 296.252 4.994 10 0 CJAERN Nc1cc(-c2nc3cc(Cl)ccc3s2)ccc1Cl ZINC000022153333 171360094 /nfs/dbraw/zinc/36/00/94/171360094.db2.gz DJOADXFBPGQLCH-UHFFFAOYSA-N 0 0 295.194 4.852 10 0 CJAERN CCCc1ccc(NCc2ccc(Cl)cc2)cc1 ZINC000022153337 171359990 /nfs/dbraw/zinc/35/99/90/171359990.db2.gz NNVPMUIOUBCIOA-UHFFFAOYSA-N 0 0 259.780 4.905 10 0 CJAERN CCCOc1ccccc1Oc1c(N)cccc1Cl ZINC000022153631 171360876 /nfs/dbraw/zinc/36/08/76/171360876.db2.gz KPSKSLLPVZDFLY-UHFFFAOYSA-N 0 0 277.751 4.503 10 0 CJAERN O=Cc1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000022153744 171360868 /nfs/dbraw/zinc/36/08/68/171360868.db2.gz HVCHQYGVEPYEEP-UHFFFAOYSA-N 0 0 267.111 4.598 10 0 CJAERN Fc1ccc(NCc2ccccc2C(F)(F)F)cc1F ZINC000022153817 171360895 /nfs/dbraw/zinc/36/08/95/171360895.db2.gz SWSBUIVXLJOJCN-UHFFFAOYSA-N 0 0 287.231 4.596 10 0 CJAERN C[C@@H](Nc1ccc(F)cc1F)C12CC3CC(CC(C3)C1)C2 ZINC000022153901 171360490 /nfs/dbraw/zinc/36/04/90/171360490.db2.gz UZZNHWBHIUIAKJ-HDPALTEOSA-N 0 0 291.385 4.982 10 0 CJAERN C[C@H](Nc1ccc(F)cc1F)C12CC3CC(CC(C3)C1)C2 ZINC000022153904 171360680 /nfs/dbraw/zinc/36/06/80/171360680.db2.gz UZZNHWBHIUIAKJ-IWERZKIRSA-N 0 0 291.385 4.982 10 0 CJAERN CC[C@@H](C)C[C@@H](CC)Nc1ccccc1OC(F)F ZINC000022154426 171361131 /nfs/dbraw/zinc/36/11/31/171361131.db2.gz CCBBNFBZRXNENP-VXGBXAGGSA-N 0 0 271.351 4.915 10 0 CJAERN CC[C@H](C[C@@H](C)CC)Nc1ccccc1OC(F)F ZINC000022154430 171361465 /nfs/dbraw/zinc/36/14/65/171361465.db2.gz CCBBNFBZRXNENP-NWDGAFQWSA-N 0 0 271.351 4.915 10 0 CJAERN CC[C@@H](C)C[C@H](CC)Nc1ccccc1OC(F)F ZINC000022154433 171361080 /nfs/dbraw/zinc/36/10/80/171361080.db2.gz CCBBNFBZRXNENP-NEPJUHHUSA-N 0 0 271.351 4.915 10 0 CJAERN CC[C@H](C)C[C@H](CC)Nc1ccccc1OC(F)F ZINC000022154437 171361033 /nfs/dbraw/zinc/36/10/33/171361033.db2.gz CCBBNFBZRXNENP-RYUDHWBXSA-N 0 0 271.351 4.915 10 0 CJAERN Cc1ccc(CNc2cc(Cl)ccc2C)c(C)c1 ZINC000022154493 171361514 /nfs/dbraw/zinc/36/15/14/171361514.db2.gz CVAWPZDPKDVFTE-UHFFFAOYSA-N 0 0 259.780 4.877 10 0 CJAERN CCC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000022154603 171361402 /nfs/dbraw/zinc/36/14/02/171361402.db2.gz POPRRYXVVANUAX-UHFFFAOYSA-N 0 0 278.273 4.965 10 0 CJAERN CC(C)(C)c1ccc(-c2ccc(C=O)c(F)c2)cc1 ZINC000022154633 171361103 /nfs/dbraw/zinc/36/11/03/171361103.db2.gz CEEGWNYLRVOACM-UHFFFAOYSA-N 0 0 256.320 4.603 10 0 CJAERN FC(F)(F)c1ccc(-c2ccc3c(c2)CCCN3)cc1 ZINC000022201336 171372536 /nfs/dbraw/zinc/37/25/36/171372536.db2.gz LUVYCRMVKRABJK-UHFFFAOYSA-N 0 0 277.289 4.731 10 0 CJAERN FC(F)(F)c1cccc(-c2ccc3c(c2)CCCN3)c1 ZINC000022201341 171372539 /nfs/dbraw/zinc/37/25/39/171372539.db2.gz IAJCSTIPOQWBFV-UHFFFAOYSA-N 0 0 277.289 4.731 10 0 CJAERN FC(F)(F)c1ccccc1-c1ccc2c(c1)CCCN2 ZINC000022201350 171372423 /nfs/dbraw/zinc/37/24/23/171372423.db2.gz NMYGJSYARDRDEA-UHFFFAOYSA-N 0 0 277.289 4.731 10 0 CJAERN Fc1cc(-c2ccc3c(c2)CCCN3)ccc1Cl ZINC000022201370 171372686 /nfs/dbraw/zinc/37/26/86/171372686.db2.gz IYAAEJRPKSEGFE-UHFFFAOYSA-N 0 0 261.727 4.504 10 0 CJAERN CCCN(C)C(=O)c1ccc(-c2cccc(Cl)c2)s1 ZINC000022332976 171385694 /nfs/dbraw/zinc/38/56/94/171385694.db2.gz PGCLHNAYOCLPKO-UHFFFAOYSA-N 0 0 293.819 4.551 10 0 CJAERN Cc1ccc(C)c(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000022344263 171385540 /nfs/dbraw/zinc/38/55/40/171385540.db2.gz QLBJAZOXZXDAQT-UHFFFAOYSA-N 0 0 251.329 4.728 10 0 CJAERN Cc1cc2nc(-c3cccc(Cl)c3)oc2c(C)c1 ZINC000022344633 171385676 /nfs/dbraw/zinc/38/56/76/171385676.db2.gz LUQACMWOBBYAMX-UHFFFAOYSA-N 0 0 257.720 4.765 10 0 CJAERN Cc1cc2nc(-c3ccc(F)c(C)c3)oc2c(C)c1 ZINC000022345492 171385738 /nfs/dbraw/zinc/38/57/38/171385738.db2.gz DZJMNBHDHXLQOE-UHFFFAOYSA-N 0 0 255.292 4.559 10 0 CJAERN Cc1cc2nc(-c3ccccc3Cl)oc2c(C)c1 ZINC000022346668 171385725 /nfs/dbraw/zinc/38/57/25/171385725.db2.gz MOJOAPAFHDWALE-UHFFFAOYSA-N 0 0 257.720 4.765 10 0 CJAERN CC[C@@H](C)c1ccc(NC(=O)c2cc(Cl)ccn2)cc1 ZINC000022568541 171392447 /nfs/dbraw/zinc/39/24/47/171392447.db2.gz FDQIOQIWFQZGKZ-LLVKDONJSA-N 0 0 288.778 4.501 10 0 CJAERN CC[C@H](C)c1ccc(NC(=O)c2cc(Cl)ccn2)cc1 ZINC000022568545 171392566 /nfs/dbraw/zinc/39/25/66/171392566.db2.gz FDQIOQIWFQZGKZ-NSHDSACASA-N 0 0 288.778 4.501 10 0 CJAERN CC[C@@H](C)c1ccccc1NC(=O)c1ccc(F)c(F)c1 ZINC000022568764 171392605 /nfs/dbraw/zinc/39/26/05/171392605.db2.gz WOXUZIQYYHSJKM-LLVKDONJSA-N 0 0 289.325 4.731 10 0 CJAERN CC[C@H](C)c1ccccc1NC(=O)c1ccc(F)c(F)c1 ZINC000022568768 171392631 /nfs/dbraw/zinc/39/26/31/171392631.db2.gz WOXUZIQYYHSJKM-NSHDSACASA-N 0 0 289.325 4.731 10 0 CJAERN CC[C@@H](C)c1ccccc1NC(=O)c1cc(Cl)ccn1 ZINC000022568786 171392702 /nfs/dbraw/zinc/39/27/02/171392702.db2.gz AEKAXMRRWSUJOA-LLVKDONJSA-N 0 0 288.778 4.501 10 0 CJAERN CC[C@H](C)c1ccccc1NC(=O)c1cc(Cl)ccn1 ZINC000022568790 171392593 /nfs/dbraw/zinc/39/25/93/171392593.db2.gz AEKAXMRRWSUJOA-NSHDSACASA-N 0 0 288.778 4.501 10 0 CJAERN CC1=CC(C)(C)Nc2cc3[nH]c4ccccc4c3cc21 ZINC000024611233 581093017 /nfs/dbraw/zinc/09/30/17/581093017.db2.gz ZKBIYCLPMIOTJI-UHFFFAOYSA-N 0 0 262.356 4.929 10 0 CJAERN CC1=CC(C)(C)Nc2ccc3c(c21)Cc1ccccc1-3 ZINC000024611248 581092990 /nfs/dbraw/zinc/09/29/90/581092990.db2.gz XIEOFCDTJAVROO-UHFFFAOYSA-N 0 0 261.368 4.865 10 0 CJAERN C[C@H](Nc1nc2ccccc2s1)c1ccc(F)cc1 ZINC000025370261 171455264 /nfs/dbraw/zinc/45/52/64/171455264.db2.gz UXCFBBFODBXPNS-JTQLQIEISA-N 0 0 272.348 4.609 10 0 CJAERN C[C@@H](Nc1cnc2ccccc2n1)c1ccc(Cl)s1 ZINC000025572252 329687743 /nfs/dbraw/zinc/68/77/43/329687743.db2.gz WXPAFAVKAORRGR-SECBINFHSA-N 0 0 289.791 4.518 10 0 CJAERN C[C@H](Nc1cnc2ccccc2n1)c1ccc(Cl)s1 ZINC000025572255 329687816 /nfs/dbraw/zinc/68/78/16/329687816.db2.gz WXPAFAVKAORRGR-VIFPVBQESA-N 0 0 289.791 4.518 10 0 CJAERN C[C@@H](Nc1nc2ccccc2o1)c1ccc(Cl)s1 ZINC000025572258 171460871 /nfs/dbraw/zinc/46/08/71/171460871.db2.gz XZXKNDOVDSPJEH-MRVPVSSYSA-N 0 0 278.764 4.716 10 0 CJAERN C[C@H](Nc1ncnc2ccsc21)c1ccc(Cl)s1 ZINC000025572323 171460977 /nfs/dbraw/zinc/46/09/77/171460977.db2.gz BXHPOJAFJFVWGV-ZETCQYMHSA-N 0 0 295.820 4.579 10 0 CJAERN CCCCC[C@@H](O)c1cccc(COc2ccccc2)c1 ZINC000025987858 171469285 /nfs/dbraw/zinc/46/92/85/171469285.db2.gz JDNXWJBIMHHXJP-LJQANCHMSA-N 0 0 284.399 4.879 10 0 CJAERN CCCCC[C@H](O)c1cccc(COc2ccccc2)c1 ZINC000025987864 171469226 /nfs/dbraw/zinc/46/92/26/171469226.db2.gz JDNXWJBIMHHXJP-IBGZPJMESA-N 0 0 284.399 4.879 10 0 CJAERN C[C@@H](Sc1ccc(Br)cc1)c1ccccn1 ZINC000026286714 171478557 /nfs/dbraw/zinc/47/85/57/171478557.db2.gz ROIIAPWIQPXGSZ-SNVBAGLBSA-N 0 0 294.217 4.697 10 0 CJAERN CCCCN(Cc1ccccc1)C(=O)Nc1ccc(C)cc1 ZINC000026392780 171481781 /nfs/dbraw/zinc/48/17/81/171481781.db2.gz OPXRPBOSFMMZMA-UHFFFAOYSA-N 0 0 296.414 4.829 10 0 CJAERN CC1(C)SC(=O)N(c2ccccc2)[C@@H]1Nc1ccccc1 ZINC000026479114 171486651 /nfs/dbraw/zinc/48/66/51/171486651.db2.gz PEBDBBJBHOUFKV-HNNXBMFYSA-N 0 0 298.411 4.577 10 0 CJAERN O=Cc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000026543904 171491477 /nfs/dbraw/zinc/49/14/77/171491477.db2.gz FZVSATUMZPHEQL-UHFFFAOYSA-N 0 0 284.664 4.838 10 0 CJAERN O=Cc1cccc(-c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000026543907 171491591 /nfs/dbraw/zinc/49/15/91/171491591.db2.gz XVANCRNNFMOXFQ-UHFFFAOYSA-N 0 0 284.664 4.838 10 0 CJAERN CCC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000026544148 171491580 /nfs/dbraw/zinc/49/15/80/171491580.db2.gz WCSHJXPYSCPUHM-UHFFFAOYSA-N 0 0 278.273 4.965 10 0 CJAERN Cc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1N ZINC000026544347 171491752 /nfs/dbraw/zinc/49/17/52/171491752.db2.gz QDWMXBGYZZAGCA-UHFFFAOYSA-N 0 0 289.378 4.823 10 0 CJAERN Oc1c(Cc2cccc(Cl)c2)ccc2ccccc12 ZINC000027198156 171509943 /nfs/dbraw/zinc/50/99/43/171509943.db2.gz KWGHSFDXFQUJHX-UHFFFAOYSA-N 0 0 268.743 4.790 10 0 CJAERN CCOc1ccccc1Cc1ccc2ccccc2c1O ZINC000027205085 171509964 /nfs/dbraw/zinc/50/99/64/171509964.db2.gz DFCOUQDSJZFNGJ-UHFFFAOYSA-N 0 0 278.351 4.535 10 0 CJAERN CCOc1ccc(Cc2ccc3ccccc3c2O)cc1 ZINC000027205568 171510431 /nfs/dbraw/zinc/51/04/31/171510431.db2.gz YYFKPFDHALEREI-UHFFFAOYSA-N 0 0 278.351 4.535 10 0 CJAERN CSc1ccc(Cc2ccc3ccccc3c2O)cc1 ZINC000027206676 171510678 /nfs/dbraw/zinc/51/06/78/171510678.db2.gz HKPPQEBAMBNZNG-UHFFFAOYSA-N 0 0 280.392 4.858 10 0 CJAERN Cc1cc(O)ccc1[C@H](C)[C@@H](C)c1ccc(O)cc1C ZINC000027887027 171536789 /nfs/dbraw/zinc/53/67/89/171536789.db2.gz DDONOQVIWKZBJN-ZIAGYGMSSA-N 0 0 270.372 4.622 10 0 CJAERN Cc1cccc(Nc2ncnc3sc4c(c32)CCC4)c1C ZINC000028165782 171549343 /nfs/dbraw/zinc/54/93/43/171549343.db2.gz SSTVGTJSPXCEOE-UHFFFAOYSA-N 0 0 295.411 4.540 10 0 CJAERN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(C)cc2C)c(C)c1 ZINC000028221276 171550497 /nfs/dbraw/zinc/55/04/97/171550497.db2.gz JLTCTBHJHPDULW-INIZCTEOSA-N 0 0 296.414 4.803 10 0 CJAERN CN(C/C=C/c1ccccc1)c1cccc2ccccc21 ZINC000028247067 171553547 /nfs/dbraw/zinc/55/35/47/171553547.db2.gz VPXZGKVNSXHXRI-DHZHZOJOSA-N 0 0 273.379 4.989 10 0 CJAERN CCC(CC)C(=O)Nc1nc2c(ccc(Cl)c2C)s1 ZINC000028284509 567150172 /nfs/dbraw/zinc/15/01/72/567150172.db2.gz QEMGPRMPLVMKKF-UHFFFAOYSA-N 0 0 296.823 4.633 10 0 CJAERN C[C@H](Nc1ncnc2ccsc21)c1cccc(Cl)c1 ZINC000028624740 171567414 /nfs/dbraw/zinc/56/74/14/171567414.db2.gz GFBUXRPZZIEILV-VIFPVBQESA-N 0 0 289.791 4.518 10 0 CJAERN Clc1ccc(Nc2nnc(-c3ccccc3)s2)cc1 ZINC000028637822 171568089 /nfs/dbraw/zinc/56/80/89/171568089.db2.gz OZRPBDYWQDSFOY-UHFFFAOYSA-N 0 0 287.775 4.602 10 0 CJAERN CC(C)(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21 ZINC000028710089 171571119 /nfs/dbraw/zinc/57/11/19/171571119.db2.gz CIMXZQGTVPDIJR-UHFFFAOYSA-N 0 0 274.367 4.975 10 0 CJAERN Cc1sc2c(cccc2Nc2ccccn2)c1C ZINC000028713603 171572245 /nfs/dbraw/zinc/57/22/45/171572245.db2.gz ONBAOVWTMWHKHI-UHFFFAOYSA-N 0 0 254.358 4.657 10 0 CJAERN CC(C)(C)c1ccc(-c2nc3ccccc3o2)cc1 ZINC000028714567 570409200 /nfs/dbraw/zinc/40/92/00/570409200.db2.gz ZNBHIZVPIRZVLA-UHFFFAOYSA-N 0 0 251.329 4.792 10 0 CJAERN CCC[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000028889931 171580224 /nfs/dbraw/zinc/58/02/24/171580224.db2.gz UUVAONRNGLRUHT-SSDOTTSWSA-N 0 0 257.164 4.773 10 0 CJAERN c1ccc(-c2ccc(C3=NN[C@@H](c4ccccc4)C3)cc2)cc1 ZINC000029128996 171587109 /nfs/dbraw/zinc/58/71/09/171587109.db2.gz KXIBITNVZKITGB-HXUWFJFHSA-N 0 0 298.389 4.792 10 0 CJAERN Cc1ccc(NCCOc2ccc3ccccc3c2)cc1 ZINC000029132548 171587872 /nfs/dbraw/zinc/58/78/72/171587872.db2.gz JXGXCCVVGRBNDU-UHFFFAOYSA-N 0 0 277.367 4.639 10 0 CJAERN O=C1Cc2cc(Cl)c(C3CCCCC3)c(Cl)c2O1 ZINC000029245564 171591598 /nfs/dbraw/zinc/59/15/98/171591598.db2.gz BWHBQFJFUKLHPH-UHFFFAOYSA-N 0 0 285.170 4.503 10 0 CJAERN COC(=O)/C=C(C)/C=C/C[C@@H](C)CCCC(C)C ZINC000029314808 171593367 /nfs/dbraw/zinc/59/33/67/171593367.db2.gz UWUCKVMJFRMXLT-MWGOXHSGSA-N 0 0 252.398 4.514 10 0 CJAERN COC(=O)/C=C(C)/C=C/C[C@H](C)CCCC(C)C ZINC000029314813 171593057 /nfs/dbraw/zinc/59/30/57/171593057.db2.gz UWUCKVMJFRMXLT-PGMSKMPUSA-N 0 0 252.398 4.514 10 0 CJAERN C[C@H](Nc1nc2ccccc2o1)c1ccc(Cl)cc1 ZINC000029326916 171593978 /nfs/dbraw/zinc/59/39/78/171593978.db2.gz XBJZXTWSLQPNSX-JTQLQIEISA-N 0 0 272.735 4.654 10 0 CJAERN c1ccc(Oc2ccc(CO[C@H]3CCCCO3)cc2)cc1 ZINC000029547879 171602925 /nfs/dbraw/zinc/60/29/25/171602925.db2.gz YGPDUVCAVCHACJ-SFHVURJKSA-N 0 0 284.355 4.522 10 0 CJAERN C/C(=C\c1cc(C)c(O)c(C)c1)c1ccc(F)cc1 ZINC000029548301 171602836 /nfs/dbraw/zinc/60/28/36/171602836.db2.gz VXPAUBYOSZRWFR-DHZHZOJOSA-N 0 0 256.320 4.709 10 0 CJAERN C[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000030728922 171622550 /nfs/dbraw/zinc/62/25/50/171622550.db2.gz SVEOBRKOIXNDIJ-DQDQBAQVSA-N 0 0 270.416 4.884 10 0 in-vitro CJAERN Cc1cc2nc(-c3ccc(C(F)(F)F)cc3)[nH]c2cc1C ZINC000031943836 171665997 /nfs/dbraw/zinc/66/59/97/171665997.db2.gz ASSGIFFMJPJPMZ-UHFFFAOYSA-N 0 0 290.288 4.866 10 0 CJAERN Cc1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 ZINC000031943962 171666177 /nfs/dbraw/zinc/66/61/77/171666177.db2.gz BGJFWRWQLLKDTG-UHFFFAOYSA-N 0 0 277.154 4.845 10 0 CJAERN Fc1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 ZINC000031943965 171666197 /nfs/dbraw/zinc/66/61/97/171666197.db2.gz AHEKUYORRSFKMK-UHFFFAOYSA-N 0 0 281.117 4.676 10 0 CJAERN Fc1ccc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000031943976 171666282 /nfs/dbraw/zinc/66/62/82/171666282.db2.gz YQOMSJRMTHESIU-UHFFFAOYSA-N 0 0 295.144 4.600 10 0 CJAERN Fc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1F ZINC000031944004 171665988 /nfs/dbraw/zinc/66/59/88/171665988.db2.gz QSQIYKSGBHIDEK-UHFFFAOYSA-N 0 0 299.107 4.815 10 0 CJAERN Cc1ccc(N)cc1-c1ccc(Cl)c(Cl)c1 ZINC000032003374 171683467 /nfs/dbraw/zinc/68/34/67/171683467.db2.gz XYBBBRUDUJBUFG-UHFFFAOYSA-N 0 0 252.144 4.551 10 0 CJAERN CC(C)(C)c1ccc(-c2ccc(Cl)c(N)c2)cc1 ZINC000032003554 171683144 /nfs/dbraw/zinc/68/31/44/171683144.db2.gz FEWDHENHGBHLDQ-UHFFFAOYSA-N 0 0 259.780 4.887 10 0 CJAERN Fc1ccc2cc(-c3ccccc3)c(Cl)nc2c1 ZINC000032099739 171696816 /nfs/dbraw/zinc/69/68/16/171696816.db2.gz UXQTUYPCKAAISO-UHFFFAOYSA-N 0 0 257.695 4.694 10 0 CJAERN Cc1cc(Br)c2c(Cl)ccc(Cl)c2n1 ZINC000032099880 171696839 /nfs/dbraw/zinc/69/68/39/171696839.db2.gz XCQJHNIDKYRMBU-UHFFFAOYSA-N 0 0 290.975 4.613 10 0 CJAERN O=c1cc(-c2ccccc2)[nH]c2c(Cl)ccc(Cl)c12 ZINC000032099901 171696700 /nfs/dbraw/zinc/69/67/00/171696700.db2.gz MIYZABSFDAVJTR-UHFFFAOYSA-N 0 0 290.149 4.502 10 0 CJAERN CC[C@@H](C)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000032107328 171698717 /nfs/dbraw/zinc/69/87/17/171698717.db2.gz JFKUUGCKEKRTSK-SSDOTTSWSA-N 0 0 251.679 4.569 10 0 CJAERN CC(C)(C)c1ccccc1NCCc1ccccc1 ZINC000032108089 517392888 /nfs/dbraw/zinc/39/28/88/517392888.db2.gz WUNARCXPLDLDKU-UHFFFAOYSA-N 0 0 253.389 4.639 10 0 CJAERN CCOc1cccc(CNc2c(C)cc(C)cc2C)c1 ZINC000032117400 171709911 /nfs/dbraw/zinc/70/99/11/171709911.db2.gz JWWPUAUUQVITRT-UHFFFAOYSA-N 0 0 269.388 4.623 10 0 CJAERN Cc1ccc(C)c(NCc2ccccc2OC(C)C)c1 ZINC000032117771 171709899 /nfs/dbraw/zinc/70/98/99/171709899.db2.gz BNEYEDMGIWYKSN-UHFFFAOYSA-N 0 0 269.388 4.703 10 0 CJAERN Cc1cccc(C)c1NCc1ccccc1OC(C)C ZINC000032117778 171709907 /nfs/dbraw/zinc/70/99/07/171709907.db2.gz VSRXJJRMRPGXCU-UHFFFAOYSA-N 0 0 269.388 4.703 10 0 CJAERN CCCOc1cccc(CNc2c(C)cccc2C)c1 ZINC000032117812 171710026 /nfs/dbraw/zinc/71/00/26/171710026.db2.gz PSLWGVYKRIDJTH-UHFFFAOYSA-N 0 0 269.388 4.704 10 0 CJAERN Cc1ccc(C)c(NCc2ccc(OC(C)C)cc2)c1 ZINC000032117877 171709940 /nfs/dbraw/zinc/70/99/40/171709940.db2.gz NDEKYJXRRLVFKS-UHFFFAOYSA-N 0 0 269.388 4.703 10 0 CJAERN CC(C)Oc1ccccc1CNc1ccc(Cl)cc1 ZINC000032122247 171712658 /nfs/dbraw/zinc/71/26/58/171712658.db2.gz OKWZRAFXSCBBMO-UHFFFAOYSA-N 0 0 275.779 4.739 10 0 CJAERN CC(C)Oc1cccc(CNc2ccccc2Cl)c1 ZINC000032122250 171712813 /nfs/dbraw/zinc/71/28/13/171712813.db2.gz GWWDLEZGECQZED-UHFFFAOYSA-N 0 0 275.779 4.739 10 0 CJAERN CC(C)Oc1ccc(CNc2ccc(Cl)cc2)cc1 ZINC000032122255 171712964 /nfs/dbraw/zinc/71/29/64/171712964.db2.gz VAJLJUZSFIVGRA-UHFFFAOYSA-N 0 0 275.779 4.739 10 0 CJAERN CCCCOc1cccc(CNc2ccc(OCC)cc2)c1 ZINC000032184790 171720491 /nfs/dbraw/zinc/72/04/91/171720491.db2.gz UZDUYYHAZYUMTN-UHFFFAOYSA-N 0 0 299.414 4.876 10 0 CJAERN CC(C)(C)c1ccc(/C=C\C(=O)Nc2ccc(F)cc2)cc1 ZINC000033281581 171776567 /nfs/dbraw/zinc/77/65/67/171776567.db2.gz BCSPMKZEIWLDBW-MLPAPPSSSA-N 0 0 297.373 4.775 10 0 CJAERN Cc1sc2cc(-c3ccccc3)oc2c1C(=O)NC(C)C ZINC000033282149 171776756 /nfs/dbraw/zinc/77/67/56/171776756.db2.gz VXCNRYCRGVENMZ-UHFFFAOYSA-N 0 0 299.395 4.608 10 0 CJAERN O=C(/C=C\c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000033285325 171777085 /nfs/dbraw/zinc/77/70/85/171777085.db2.gz VJZUOEFCTHGIMC-KMKOMSMNSA-N 0 0 292.165 4.645 10 0 CJAERN Cc1ccc(OC(=O)/C=C\c2cccc3ccccc23)cc1 ZINC000033314387 171781911 /nfs/dbraw/zinc/78/19/11/171781911.db2.gz WFWIYBUTFIJGKB-KAMYIIQDSA-N 0 0 288.346 4.767 10 0 CJAERN Cc1cccc(C(C)C)c1NC(=O)/C=C\c1ccc(F)cc1 ZINC000033317310 171782676 /nfs/dbraw/zinc/78/26/76/171782676.db2.gz BPACSWQZLJKCGN-XFXZXTDPSA-N 0 0 297.373 4.909 10 0 CJAERN CC(=O)c1ccc(-c2cccc(Cl)c2Cl)cc1 ZINC000033428119 171795106 /nfs/dbraw/zinc/79/51/06/171795106.db2.gz OWURRBBJWWQWPQ-UHFFFAOYSA-N 0 0 265.139 4.863 10 0 CJAERN O=Cc1cccc(-c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000033428250 171795706 /nfs/dbraw/zinc/79/57/06/171795706.db2.gz MUSNXXWKSULFGE-UHFFFAOYSA-N 0 0 284.664 4.838 10 0 CJAERN CCOc1ccc(/C=C\c2ccc3ccccc3n2)cc1 ZINC000033470802 171804894 /nfs/dbraw/zinc/80/48/94/171804894.db2.gz QCHWONNVVNJIFQ-XFFZJAGNSA-N 0 0 275.351 4.804 10 0 CJAERN Clc1cccc2sc(Oc3ccccc3)nc21 ZINC000033506469 171808710 /nfs/dbraw/zinc/80/87/10/171808710.db2.gz NKVPWNHIBCRAPO-UHFFFAOYSA-N 0 0 261.733 4.742 10 0 CJAERN CC(C)c1ccc(Cn2cc(C=O)c3ccccc32)cc1 ZINC000033509193 171809263 /nfs/dbraw/zinc/80/92/63/171809263.db2.gz ZNFFLVYFQXKRKX-UHFFFAOYSA-N 0 0 277.367 4.626 10 0 CJAERN CC(C)(C)c1ccc(Cn2cc(C=O)c3ccccc32)cc1 ZINC000033509194 171809341 /nfs/dbraw/zinc/80/93/41/171809341.db2.gz LXRGEFIVLOHFRO-UHFFFAOYSA-N 0 0 291.394 4.800 10 0 CJAERN COc1ccc(C(=O)Oc2ccc(C)cc2C(C)(C)C)cc1 ZINC000033569860 171813586 /nfs/dbraw/zinc/81/35/86/171813586.db2.gz HVMCDFKGXPVQOR-UHFFFAOYSA-N 0 0 298.382 4.520 10 0 CJAERN Cc1ccc(C(=O)Oc2ccc(C)cc2C(C)(C)C)cc1 ZINC000033569863 171813735 /nfs/dbraw/zinc/81/37/35/171813735.db2.gz BSBIZXAVNBQMQN-UHFFFAOYSA-N 0 0 282.383 4.820 10 0 CJAERN O=C1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000033606946 171815033 /nfs/dbraw/zinc/81/50/33/171815033.db2.gz KNKXPMHZNDQQHO-GFCCVEGCSA-N 0 0 277.150 4.712 10 0 CJAERN O=C1C[C@@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc21 ZINC000033606948 171814927 /nfs/dbraw/zinc/81/49/27/171814927.db2.gz GELXXQVKIVNKCI-ZDUSSCGKSA-N 0 0 294.247 4.563 10 0 CJAERN COc1ccccc1Oc1nc2c(cccc2Cl)s1 ZINC000033608917 518169982 /nfs/dbraw/zinc/16/99/82/518169982.db2.gz YWBPXRWTPJUFDW-UHFFFAOYSA-N 0 0 291.759 4.751 10 0 CJAERN O[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000033609285 171814910 /nfs/dbraw/zinc/81/49/10/171814910.db2.gz JAIFCNUSJBEKTO-SWLSCSKDSA-N 0 0 279.166 4.562 10 0 CJAERN CC1(C)CCC(C)(C)c2cc3c(cc21)CCCC3=O ZINC000033611213 171815568 /nfs/dbraw/zinc/81/55/68/171815568.db2.gz TUWBVBYVXBXGFD-UHFFFAOYSA-N 0 0 256.389 4.555 10 0 CJAERN c1ccc(COc2ccc(NNc3ccccc3)cc2)cc1 ZINC000033611267 171815437 /nfs/dbraw/zinc/81/54/37/171815437.db2.gz DQCPCVSZUQXIDF-UHFFFAOYSA-N 0 0 290.366 4.705 10 0 in-vitro CJAERN COc1ccc(/C=C\C=C/C=C\c2ccccc2)cc1 ZINC000033622208 171815469 /nfs/dbraw/zinc/81/54/69/171815469.db2.gz WSZUPMMXEJRMRA-CTDXCEQRSA-N 0 0 262.352 4.978 10 0 CJAERN CC(C)(C)Cc1ccc(Oc2ccccc2N)cc1 ZINC000033637853 171816191 /nfs/dbraw/zinc/81/61/91/171816191.db2.gz OJQBKBWOUORGAL-UHFFFAOYSA-N 0 0 255.361 4.650 10 0 CJAERN C[C@H]1CO[C@@](C)(c2ccc3c(c2)C(C)(C)CCC3(C)C)O1 ZINC000033650098 171816741 /nfs/dbraw/zinc/81/67/41/171816741.db2.gz JEPWTUCYPWOCQV-ORAYPTAESA-N 0 0 288.431 4.644 10 0 CJAERN CC(C)(C)c1ccc(/C=C2/C(=O)Nc3ccc(F)cc32)cc1 ZINC000033696450 171818400 /nfs/dbraw/zinc/81/84/00/171818400.db2.gz ZUEFOAHOTYBBLN-MHWRWJLKSA-N 0 0 295.357 4.616 10 0 CJAERN Cc1ccc(NC(=O)/C=C\c2cccc(Cl)c2)cc1C ZINC000033765884 326900979 /nfs/dbraw/zinc/90/09/79/326900979.db2.gz GOZIUYDZAZVYKG-CLFYSBASSA-N 0 0 285.774 4.609 10 0 CJAERN CCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1 ZINC000033797894 171820924 /nfs/dbraw/zinc/82/09/24/171820924.db2.gz JYKMSGTWTZANDU-ZPHPHTNESA-N 0 0 298.386 4.608 10 0 CJAERN CC1(C)CCC[C@@]2(C)[C@H]3CC[C@H]4C[C@@]3(C=C4CO)CC[C@H]12 ZINC000033832125 560088431 /nfs/dbraw/zinc/08/84/31/560088431.db2.gz BYNLGAZDLCEGRX-UXANRKEVSA-N 0 0 288.475 4.948 10 0 biogenic,in-vitro CJAERN CC(C)Cc1ccc(/C=C\C(=O)Nc2ccc(F)cc2)cc1 ZINC000033850728 171822559 /nfs/dbraw/zinc/82/25/59/171822559.db2.gz XGSQVZXYWYPIKM-GHXNOFRVSA-N 0 0 297.373 4.676 10 0 CJAERN CCCCN(C)Oc1ccccc1Oc1ccccc1 ZINC000033878490 171823825 /nfs/dbraw/zinc/82/38/25/171823825.db2.gz XXDLEJZHGNZTSE-UHFFFAOYSA-N 0 0 271.360 4.505 10 0 CJAERN O[C@@H](c1cc2cc(Cl)ccc2o1)c1ccc(Cl)cc1 ZINC000033885790 171824464 /nfs/dbraw/zinc/82/44/64/171824464.db2.gz QNGCOUPEVFEADA-OAHLLOKOSA-N 0 0 293.149 4.821 10 0 CJAERN CC(C)=CCC/C(C)=C/[C@@H]1O[C@H](C)CC(C)(C)O1 ZINC000033953572 171828098 /nfs/dbraw/zinc/82/80/98/171828098.db2.gz GBKILRGXNOCUTQ-RTZSPXFWSA-N 0 0 252.398 4.609 10 0 CJAERN CC(=O)c1ccc(Oc2ccc(F)cc2F)c(Cl)c1 ZINC000034057749 171830463 /nfs/dbraw/zinc/83/04/63/171830463.db2.gz MCUZLSUUNSSKTK-UHFFFAOYSA-N 0 0 282.673 4.613 10 0 CJAERN Cc1ccc(C(=O)c2c(Cl)cccc2Cl)cc1 ZINC000034113549 171831590 /nfs/dbraw/zinc/83/15/90/171831590.db2.gz SAXPLHZLZBSMQE-UHFFFAOYSA-N 0 0 265.139 4.533 10 0 CJAERN Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccccc12 ZINC000034125653 171831622 /nfs/dbraw/zinc/83/16/22/171831622.db2.gz FBNLTSSMCAPSCQ-UHFFFAOYSA-N 0 0 283.758 4.600 10 0 CJAERN Oc1cc2ccccc2cc1-c1nc2ccccc2s1 ZINC000034242049 171835387 /nfs/dbraw/zinc/83/53/87/171835387.db2.gz AXQGQDRAEYMDQB-UHFFFAOYSA-N 0 0 277.348 4.822 10 0 CJAERN CCOCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000034347130 567136652 /nfs/dbraw/zinc/13/66/52/567136652.db2.gz UCKUPWJWVMQSKH-UHFFFAOYSA-N 0 0 264.409 4.524 10 0 CJAERN O=C(CCCc1ccccc1)c1ccc(Cl)cc1 ZINC000034349030 171837530 /nfs/dbraw/zinc/83/75/30/171837530.db2.gz XBNHZLYVPDVHAJ-UHFFFAOYSA-N 0 0 258.748 4.546 10 0 CJAERN CCCOc1cc(-c2ccccc2)nc2ccccc21 ZINC000034412350 171838956 /nfs/dbraw/zinc/83/89/56/171838956.db2.gz JAXAMJCZWMQEJG-UHFFFAOYSA-N 0 0 263.340 4.691 10 0 CJAERN c1ccc(N[C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000034456777 171840487 /nfs/dbraw/zinc/84/04/87/171840487.db2.gz KRRAFCHGFZAQOK-KRWDZBQOSA-N 0 0 262.356 4.657 10 0 CJAERN C[C@H](c1nc(-c2ccc(N)cc2)cs1)c1ccccc1 ZINC000034457251 171840608 /nfs/dbraw/zinc/84/06/08/171840608.db2.gz OWFOAAFVEJEFME-LBPRGKRZSA-N 0 0 280.396 4.544 10 0 CJAERN c1cc2cc(OCc3cccc4ccccc43)ccc2[nH]1 ZINC000034488095 171841499 /nfs/dbraw/zinc/84/14/99/171841499.db2.gz FNMFDALAYAOTDQ-UHFFFAOYSA-N 0 0 273.335 4.900 10 0 CJAERN COc1ccc(Oc2csc3ccccc23)cc1 ZINC000034508339 171841845 /nfs/dbraw/zinc/84/18/45/171841845.db2.gz MOONLSZHTADEJJ-UHFFFAOYSA-N 0 0 256.326 4.702 10 0 CJAERN Cc1cc(Cl)ccc1NC/C=C/c1ccccc1 ZINC000034508425 171842217 /nfs/dbraw/zinc/84/22/17/171842217.db2.gz RTWHFPMJIKNSLX-VMPITWQZSA-N 0 0 257.764 4.774 10 0 CJAERN FC(F)C(F)(F)Oc1ccc(-c2ccccc2)cc1 ZINC000034515723 171842998 /nfs/dbraw/zinc/84/29/98/171842998.db2.gz GVGJKEPWOWWQEO-UHFFFAOYSA-N 0 0 270.225 4.590 10 0 CJAERN O=C(Nc1ccc2sccc2c1)OCc1ccccc1 ZINC000034516778 171842865 /nfs/dbraw/zinc/84/28/65/171842865.db2.gz XYQUOKSWEMAIKB-UHFFFAOYSA-N 0 0 283.352 4.650 10 0 CJAERN Cc1ccsc1C(=O)c1ccc(Cl)cc1Cl ZINC000034524256 171843356 /nfs/dbraw/zinc/84/33/56/171843356.db2.gz KWPPSQDQWBZCFB-UHFFFAOYSA-N 0 0 271.168 4.594 10 0 CJAERN c1cc(-c2cn(Cc3ccccc3)c3ccccc23)c[nH]1 ZINC000034524377 171843152 /nfs/dbraw/zinc/84/31/52/171843152.db2.gz RVHCXTXWAVFSOL-UHFFFAOYSA-N 0 0 272.351 4.685 10 0 CJAERN CCCC[C@@H](CC)CNC(=O)CCCCCC(C)C ZINC000034536450 171843348 /nfs/dbraw/zinc/84/33/48/171843348.db2.gz CYJLFSMDQYFKRD-MRXNPFEDSA-N 0 0 269.473 4.926 10 0 CJAERN CC(C)(C)OC(=O)/C=C/c1ccc(-c2ccccc2)cc1 ZINC000034555813 570221250 /nfs/dbraw/zinc/22/12/50/570221250.db2.gz ZLDBJLHOWQSJHB-SDNWHVSQSA-N 0 0 280.367 4.709 10 0 CJAERN CCC(CC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1 ZINC000034577485 171844749 /nfs/dbraw/zinc/84/47/49/171844749.db2.gz PFMFCIKSWIKOSS-UHFFFAOYSA-N 0 0 284.399 4.821 10 0 CJAERN CSc1ccc(C(=O)Cc2ccc(Cl)cc2F)cc1 ZINC000034585769 171845340 /nfs/dbraw/zinc/84/53/40/171845340.db2.gz LRNASNKCDOXNLT-UHFFFAOYSA-N 0 0 294.778 4.626 10 0 CJAERN FC(F)(F)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000034606427 171845823 /nfs/dbraw/zinc/84/58/23/171845823.db2.gz CXGFIHCGWHSIQO-UHFFFAOYSA-N 0 0 271.669 4.784 10 0 CJAERN CC(C)Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000034606462 171845867 /nfs/dbraw/zinc/84/58/67/171845867.db2.gz HEGPCZMRQCWRQD-UHFFFAOYSA-N 0 0 272.775 4.770 10 0 CJAERN S=c1ssc(Nc2ccccc2)c1Cl ZINC000034611719 171845759 /nfs/dbraw/zinc/84/57/59/171845759.db2.gz MAOVFRMHILSTMH-UHFFFAOYSA-N 0 0 259.808 4.936 10 0 CJAERN Cc1ccc2sc(N[C@H](C)c3ccccc3)nc2c1 ZINC000034651807 171847360 /nfs/dbraw/zinc/84/73/60/171847360.db2.gz BNWGTFXKEQHNHI-GFCCVEGCSA-N 0 0 268.385 4.778 10 0 CJAERN Cc1ccc2sc(NCc3ccc(Cl)cc3)nc2c1 ZINC000034651809 518190188 /nfs/dbraw/zinc/19/01/88/518190188.db2.gz FUAKCRKBRYKXEN-UHFFFAOYSA-N 0 0 288.803 4.870 10 0 CJAERN Cc1ccc2sc(Nc3ccc(F)cc3F)nc2c1 ZINC000034651847 171847324 /nfs/dbraw/zinc/84/73/24/171847324.db2.gz IFZGZQAPJILFJO-UHFFFAOYSA-N 0 0 276.311 4.627 10 0 CJAERN CCCCCNc1nc2cc(Cl)ccc2s1 ZINC000034652147 171847437 /nfs/dbraw/zinc/84/74/37/171847437.db2.gz FLWLLWIEUVNMPY-UHFFFAOYSA-N 0 0 254.786 4.552 10 0 CJAERN CC(C)(C)c1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000034724134 171864547 /nfs/dbraw/zinc/86/45/47/171864547.db2.gz WVOSXIAOHUCASJ-UHFFFAOYSA-N 0 0 286.762 4.841 10 0 CJAERN C[C@H]1C(c2ccc3ccccc3n2)=Cc2ccccc2N1C ZINC000034751725 134515810 /nfs/dbraw/zinc/51/58/10/134515810.db2.gz QJNJBZCGWDYEGC-AWEZNQCLSA-N 0 0 286.378 4.614 10 0 CJAERN CCCc1c(Cl)ncnc1N[C@@H](C)c1ccc(C)cc1 ZINC000034766969 171866152 /nfs/dbraw/zinc/86/61/52/171866152.db2.gz BFPVPBOPRVCREO-LBPRGKRZSA-N 0 0 289.810 4.564 10 0 CJAERN COc1cc2oc(C)c(-c3ccc(F)cc3)c2c(OC)c1 ZINC000034809092 171868652 /nfs/dbraw/zinc/86/86/52/171868652.db2.gz DTZBDWOBKMHNMC-UHFFFAOYSA-N 0 0 286.302 4.565 10 0 CJAERN Cc1ccccc1Oc1ccc(NC(=O)CC(C)(C)C)cn1 ZINC000034840229 567851909 /nfs/dbraw/zinc/85/19/09/567851909.db2.gz AMDCDTCRFSOLCJ-UHFFFAOYSA-N 0 0 298.386 4.557 10 0 CJAERN CC[C@@H]1CCCCN1C(=O)/C=C\c1ccc(C(C)C)cc1 ZINC000034848237 171888888 /nfs/dbraw/zinc/88/88/88/171888888.db2.gz UOTKNQCWYVBOGP-ADYSOMBNSA-N 0 0 285.431 4.614 10 0 CJAERN Nc1cccc(Nc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000034959058 171904306 /nfs/dbraw/zinc/90/43/06/171904306.db2.gz AECLAASONMHWLG-UHFFFAOYSA-N 0 0 287.577 4.973 10 0 CJAERN CCCCCCSc1ccc(C(F)(F)F)cc1N ZINC000034959406 171905010 /nfs/dbraw/zinc/90/50/10/171905010.db2.gz VGQFVAKBNDIGDD-UHFFFAOYSA-N 0 0 277.355 4.960 10 0 CJAERN Nc1ccccc1SCc1cccc(C(F)(F)F)c1 ZINC000034963820 171907285 /nfs/dbraw/zinc/90/72/85/171907285.db2.gz QSJKUBLJVXLFLG-UHFFFAOYSA-N 0 0 283.318 4.580 10 0 CJAERN CCC(=O)c1ccc(-c2ccc(C)c(Cl)c2)s1 ZINC000034974643 171909663 /nfs/dbraw/zinc/90/96/63/171909663.db2.gz PZRFNMRSQMJVEJ-UHFFFAOYSA-N 0 0 264.777 4.970 10 0 CJAERN CC(C)C(=O)c1ccc(-c2cccc(Cl)c2)s1 ZINC000034974649 171909598 /nfs/dbraw/zinc/90/95/98/171909598.db2.gz UCMCRHKEICBDRV-UHFFFAOYSA-N 0 0 264.777 4.907 10 0 CJAERN CC[C@@H](C)c1noc(N)c1-c1c(Cl)cccc1Cl ZINC000034975932 171910187 /nfs/dbraw/zinc/91/01/87/171910187.db2.gz YNLZJBNCHWUPRQ-SSDOTTSWSA-N 0 0 285.174 4.744 10 0 CJAERN CC[C@H](C)c1noc(N)c1-c1c(Cl)cccc1Cl ZINC000034975933 171910325 /nfs/dbraw/zinc/91/03/25/171910325.db2.gz YNLZJBNCHWUPRQ-ZETCQYMHSA-N 0 0 285.174 4.744 10 0 CJAERN Cc1ccc(SCC(=O)c2ccc(C)cc2C)cc1 ZINC000034980606 171912532 /nfs/dbraw/zinc/91/25/32/171912532.db2.gz WOBFWWSGGGACOC-UHFFFAOYSA-N 0 0 270.397 4.587 10 0 CJAERN Cc1ccc(S[C@H](C)C(=O)c2ccc(F)c(F)c2)cc1 ZINC000034980627 171912811 /nfs/dbraw/zinc/91/28/11/171912811.db2.gz OOQNGQJKNCYXRG-LLVKDONJSA-N 0 0 292.350 4.637 10 0 CJAERN Cc1ccc(S[C@H](C)C(=O)c2ccc(C)c(C)c2)cc1 ZINC000034980635 171912696 /nfs/dbraw/zinc/91/26/96/171912696.db2.gz MVNZKJCOASCXIV-OAHLLOKOSA-N 0 0 284.424 4.975 10 0 CJAERN C[C@@H](SCc1ccccc1)C(=O)c1ccc(Cl)cc1 ZINC000034980677 171912781 /nfs/dbraw/zinc/91/27/81/171912781.db2.gz GBIQVMBEYRTJIX-GFCCVEGCSA-N 0 0 290.815 4.845 10 0 CJAERN CCc1ccc(C(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 ZINC000034980682 171912934 /nfs/dbraw/zinc/91/29/34/171912934.db2.gz RNAUJTQBEVJXJR-CQSZACIVSA-N 0 0 284.424 4.921 10 0 CJAERN CC[C@H](C)SCC(=O)c1cc(Cl)sc1Cl ZINC000034990370 171916466 /nfs/dbraw/zinc/91/64/66/171916466.db2.gz PXAQHJBVSXDUBV-LURJTMIESA-N 0 0 283.245 4.769 10 0 CJAERN CC(C)CSCC(=O)c1cc(Cl)sc1Cl ZINC000034990398 171916834 /nfs/dbraw/zinc/91/68/34/171916834.db2.gz CVPRSCHLUNSPTH-UHFFFAOYSA-N 0 0 283.245 4.627 10 0 CJAERN Cc1ccc(C(=O)COc2ccc(C(C)(C)C)cc2)s1 ZINC000034993750 518188424 /nfs/dbraw/zinc/18/84/24/518188424.db2.gz REPVVPGJDQXNJD-UHFFFAOYSA-N 0 0 288.412 4.616 10 0 CJAERN Cc1cc(C(=O)CSc2ccc(Cl)cc2)c(C)s1 ZINC000034993864 171921355 /nfs/dbraw/zinc/92/13/55/171921355.db2.gz UQYJYPWPBDWNOJ-UHFFFAOYSA-N 0 0 296.844 4.993 10 0 CJAERN Fc1ccccc1CN[C@@H](c1cccs1)c1ccccc1 ZINC000035012193 171929928 /nfs/dbraw/zinc/92/99/28/171929928.db2.gz TXMLLENCTWKVKQ-GOSISDBHSA-N 0 0 297.398 4.766 10 0 CJAERN CCCOc1ccccc1N[C@H](C)c1ccc(F)cc1 ZINC000035019343 171937856 /nfs/dbraw/zinc/93/78/56/171937856.db2.gz XBUGABUNLXFYPD-CYBMUJFWSA-N 0 0 273.351 4.788 10 0 CJAERN CCCOc1ccccc1N[C@@H](C)c1ccccc1 ZINC000035019344 171937590 /nfs/dbraw/zinc/93/75/90/171937590.db2.gz VVYBDTWTKMBYDI-AWEZNQCLSA-N 0 0 255.361 4.649 10 0 CJAERN C[C@H](Nc1cc(Cl)ccc1N(C)C)c1ccc(F)cc1 ZINC000035019411 171937451 /nfs/dbraw/zinc/93/74/51/171937451.db2.gz IQAHMJVOZOHWKN-NSHDSACASA-N 0 0 292.785 4.718 10 0 CJAERN C[C@H](Nc1cc(Cl)ccc1N(C)C)c1ccccc1 ZINC000035019413 171937526 /nfs/dbraw/zinc/93/75/26/171937526.db2.gz AXPMBDVQXIAZIJ-LBPRGKRZSA-N 0 0 274.795 4.579 10 0 CJAERN C[C@@H](Nc1cc(Cl)ccc1N(C)C)c1ccccc1 ZINC000035019414 171937801 /nfs/dbraw/zinc/93/78/01/171937801.db2.gz AXPMBDVQXIAZIJ-GFCCVEGCSA-N 0 0 274.795 4.579 10 0 CJAERN FC(F)Sc1ccc(NCCc2ccccc2)cc1 ZINC000035019813 171938619 /nfs/dbraw/zinc/93/86/19/171938619.db2.gz BIMVPLOYLQWZFQ-UHFFFAOYSA-N 0 0 279.355 4.656 10 0 CJAERN FC(F)Sc1ccc(NCC2CCCCC2)cc1 ZINC000035019817 171938415 /nfs/dbraw/zinc/93/84/15/171938415.db2.gz NJNFSKNTEXIUAF-UHFFFAOYSA-N 0 0 271.376 4.994 10 0 CJAERN CCCCCCNc1cc(C(C)(C)C)ccc1OC ZINC000035022906 171941634 /nfs/dbraw/zinc/94/16/34/171941634.db2.gz QGAZJURRLMSFSO-UHFFFAOYSA-N 0 0 263.425 4.985 10 0 CJAERN FC(F)(F)Sc1ccc(NCCc2ccccc2)cc1 ZINC000035036379 171942839 /nfs/dbraw/zinc/94/28/39/171942839.db2.gz IUSXFOYPSZHIPD-UHFFFAOYSA-N 0 0 297.345 4.953 10 0 CJAERN CCCCCNc1ccc2nc(SC)sc2c1 ZINC000035036391 171942436 /nfs/dbraw/zinc/94/24/36/171942436.db2.gz HIUILRHQVYZXCQ-UHFFFAOYSA-N 0 0 266.435 4.620 10 0 CJAERN CC(C)(C)c1ccccc1NCc1ccc(F)cc1 ZINC000035039722 171945207 /nfs/dbraw/zinc/94/52/07/171945207.db2.gz ITJDSQWZJYOTPY-UHFFFAOYSA-N 0 0 257.352 4.735 10 0 CJAERN CC(C)(C)c1ccccc1NCc1ccc(F)c(F)c1 ZINC000035039796 171945198 /nfs/dbraw/zinc/94/51/98/171945198.db2.gz PRCNOULBAXGESZ-UHFFFAOYSA-N 0 0 275.342 4.874 10 0 CJAERN CCOc1ccc(CNc2ccccc2C(C)(C)C)cc1 ZINC000035039805 171945462 /nfs/dbraw/zinc/94/54/62/171945462.db2.gz DDFKCFJCWKWMHP-UHFFFAOYSA-N 0 0 283.415 4.995 10 0 CJAERN Fc1cc(Cl)ccc1NCc1ccccc1Cl ZINC000035039861 171945285 /nfs/dbraw/zinc/94/52/85/171945285.db2.gz JUUPOGKIDKZKGF-UHFFFAOYSA-N 0 0 270.134 4.745 10 0 CJAERN COc1ccc(C(C)(C)C)cc1NCc1ccccc1C ZINC000035040198 171945177 /nfs/dbraw/zinc/94/51/77/171945177.db2.gz QEJAIMZJSLJRPO-UHFFFAOYSA-N 0 0 283.415 4.913 10 0 CJAERN FC(F)(F)Sc1ccc(NCc2ccccc2)cc1 ZINC000035041194 171945736 /nfs/dbraw/zinc/94/57/36/171945736.db2.gz NPAORROXZMAKEM-UHFFFAOYSA-N 0 0 283.318 4.911 10 0 CJAERN Cc1nc2ccc(NCc3ccc(C)cc3)cc2s1 ZINC000035043241 171946771 /nfs/dbraw/zinc/94/67/71/171946771.db2.gz SZLWUVBHHYDGQY-UHFFFAOYSA-N 0 0 268.385 4.525 10 0 CJAERN CCOc1ccc(CNc2ccc3nc(C)sc3c2)cc1 ZINC000035045258 171948103 /nfs/dbraw/zinc/94/81/03/171948103.db2.gz QILHWIXFUSEGRB-UHFFFAOYSA-N 0 0 298.411 4.616 10 0 CJAERN CN(C)c1ccc(Cl)cc1NCc1cccc(Cl)c1 ZINC000035045490 171949076 /nfs/dbraw/zinc/94/90/76/171949076.db2.gz MPFDHKHJVICSAL-UHFFFAOYSA-N 0 0 295.213 4.672 10 0 CJAERN CCc1cc(Oc2ccc(N)c(C)c2)ccc1Cl ZINC000035056306 171959159 /nfs/dbraw/zinc/95/91/59/171959159.db2.gz IESUNEDTWCDNGN-UHFFFAOYSA-N 0 0 261.752 4.585 10 0 CJAERN Cc1nc([C@H](C)Nc2cc(Cl)ccc2F)c(C)s1 ZINC000035056627 171960149 /nfs/dbraw/zinc/96/01/49/171960149.db2.gz CUHILPBVPMSWOG-ZETCQYMHSA-N 0 0 284.787 4.726 10 0 CJAERN Fc1ccc(Cl)cc1N[C@@H]1CCc2ccccc21 ZINC000035056669 171960266 /nfs/dbraw/zinc/96/02/66/171960266.db2.gz PXPFVBHGBRAESO-CQSZACIVSA-N 0 0 261.727 4.579 10 0 CJAERN CCc1ccc(CNc2cc(Cl)ccc2F)cc1 ZINC000035056717 171959722 /nfs/dbraw/zinc/95/97/22/171959722.db2.gz ZDJJUVPCGHLRKF-UHFFFAOYSA-N 0 0 263.743 4.654 10 0 CJAERN Cc1cc(C)c(NC(=S)N2CCCCCC2)c(Cl)c1 ZINC000035082263 171967373 /nfs/dbraw/zinc/96/73/73/171967373.db2.gz RHRAEGALDFFRKN-UHFFFAOYSA-N 0 0 296.867 4.530 10 0 CJAERN Fc1ccc(Cl)cc1Nc1nc2ccccc2s1 ZINC000035083111 171968496 /nfs/dbraw/zinc/96/84/96/171968496.db2.gz REGVKCXMZOQMKT-UHFFFAOYSA-N 0 0 278.739 4.832 10 0 CJAERN Fc1ccc(Cl)cc1NCc1ccc2ccccc2n1 ZINC000035083624 171970130 /nfs/dbraw/zinc/97/01/30/171970130.db2.gz GKMNLPIIKRFCGG-UHFFFAOYSA-N 0 0 286.737 4.639 10 0 CJAERN Fc1ccc(Cl)cc1NCc1cccc(Cl)c1 ZINC000035083708 171970394 /nfs/dbraw/zinc/97/03/94/171970394.db2.gz KFFKJXSXPVSLKP-UHFFFAOYSA-N 0 0 270.134 4.745 10 0 CJAERN Fc1ccc(Cl)cc1NCc1ccc(Cl)s1 ZINC000035083757 171970221 /nfs/dbraw/zinc/97/02/21/171970221.db2.gz CQSIXRCNTSFCHC-UHFFFAOYSA-N 0 0 276.163 4.806 10 0 CJAERN CC(=O)c1cc(C)ccc1OCc1ccc(F)cc1Cl ZINC000035100190 171977942 /nfs/dbraw/zinc/97/79/42/171977942.db2.gz XGTNSOAITSOXQN-UHFFFAOYSA-N 0 0 292.737 4.569 10 0 CJAERN Cc1c2cc(C)ccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000035100554 171977858 /nfs/dbraw/zinc/97/78/58/171977858.db2.gz UTDWWDUZVQMXMJ-UHFFFAOYSA-N 0 0 284.742 4.934 10 0 CJAERN Cc1c2cc(C)ccc2oc1C(=O)c1ccc(C)cc1 ZINC000035118674 171989128 /nfs/dbraw/zinc/98/91/28/171989128.db2.gz ODBFKUZLCGTPON-UHFFFAOYSA-N 0 0 264.324 4.589 10 0 CJAERN Cc1c2cc(C)ccc2oc1C(=O)c1cc(C)ccc1C ZINC000035118690 171989174 /nfs/dbraw/zinc/98/91/74/171989174.db2.gz UWDXYRXMZVZKMW-UHFFFAOYSA-N 0 0 278.351 4.897 10 0 CJAERN Cc1c2cc(C)ccc2oc1C(=O)c1ccc(C)cc1C ZINC000035118696 171989232 /nfs/dbraw/zinc/98/92/32/171989232.db2.gz WHTJEGNDEFGKOJ-UHFFFAOYSA-N 0 0 278.351 4.897 10 0 CJAERN CC(=O)c1cc(C)ccc1OCc1ccc(C(C)C)cc1 ZINC000035119596 171990077 /nfs/dbraw/zinc/99/00/77/171990077.db2.gz AQLVGVUCQMDBAH-UHFFFAOYSA-N 0 0 282.383 4.900 10 0 CJAERN Cc1ccc(C)n1[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000035120233 171990527 /nfs/dbraw/zinc/99/05/27/171990527.db2.gz WRCZWIZFRFUMED-CZVCLPBNSA-N 0 0 257.421 4.882 10 0 CJAERN C[C@@H](Nc1ncc(Cl)cc1Cl)c1cccs1 ZINC000035127970 171997170 /nfs/dbraw/zinc/99/71/70/171997170.db2.gz CDOMAICGMOIXJI-SSDOTTSWSA-N 0 0 273.188 4.623 10 0 CJAERN C[C@H](Nc1c(F)c(F)c(F)c(F)c1F)c1cccs1 ZINC000035127987 171997601 /nfs/dbraw/zinc/99/76/01/171997601.db2.gz GGVJQCSOFLNQQK-YFKPBYRVSA-N 0 0 293.260 4.617 10 0 CJAERN CC(C)c1ccccc1NC(=O)c1c[nH]c2ccccc12 ZINC000035134734 172001484 /nfs/dbraw/zinc/00/14/84/172001484.db2.gz OGBUMEDBBXTYCU-UHFFFAOYSA-N 0 0 278.355 4.544 10 0 CJAERN C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)c1ccco1 ZINC000035135089 172002154 /nfs/dbraw/zinc/00/21/54/172002154.db2.gz ZCKUOSFKFOSSRK-ZETCQYMHSA-N 0 0 290.672 4.520 10 0 CJAERN C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)c1ccco1 ZINC000035135090 172002503 /nfs/dbraw/zinc/00/25/03/172002503.db2.gz ZCKUOSFKFOSSRK-SSDOTTSWSA-N 0 0 290.672 4.520 10 0 CJAERN C[C@H](Nc1ccnc2cc(Cl)ccc21)c1ccco1 ZINC000035135101 172002141 /nfs/dbraw/zinc/00/21/41/172002141.db2.gz MMUZPSZGSKFOAO-JTQLQIEISA-N 0 0 272.735 4.654 10 0 CJAERN C[C@@H](Nc1ccnc2cc(Cl)ccc21)c1ccco1 ZINC000035135102 172002450 /nfs/dbraw/zinc/00/24/50/172002450.db2.gz MMUZPSZGSKFOAO-SNVBAGLBSA-N 0 0 272.735 4.654 10 0 CJAERN C[C@H](NC1c2ccccc2-c2ccccc21)c1ccco1 ZINC000035139221 172006693 /nfs/dbraw/zinc/00/66/93/172006693.db2.gz JREWAONOHVYLKX-ZDUSSCGKSA-N 0 0 275.351 4.700 10 0 CJAERN C[C@@H](NC1c2ccccc2-c2ccccc21)c1ccco1 ZINC000035139223 172006817 /nfs/dbraw/zinc/00/68/17/172006817.db2.gz JREWAONOHVYLKX-CYBMUJFWSA-N 0 0 275.351 4.700 10 0 CJAERN c1ccc(CCCNc2ccc3ccccc3c2)cc1 ZINC000035140462 172008381 /nfs/dbraw/zinc/00/83/81/172008381.db2.gz CQLHLVQFNJYWBF-UHFFFAOYSA-N 0 0 261.368 4.885 10 0 CJAERN CC(C)(C)c1ccc(SCc2nnsc2Cl)cc1 ZINC000035163502 172025029 /nfs/dbraw/zinc/02/50/29/172025029.db2.gz GPUGUFXAQUCMFK-UHFFFAOYSA-N 0 0 298.864 4.781 10 0 CJAERN C[C@H](Nc1ccc(N(C)C)cc1)c1nc2ccccc2s1 ZINC000035164409 172025787 /nfs/dbraw/zinc/02/57/87/172025787.db2.gz DZILOOCZPYRLQO-LBPRGKRZSA-N 0 0 297.427 4.535 10 0 CJAERN C[C@@H](Nc1ccc(N(C)C)cc1)c1nc2ccccc2s1 ZINC000035164411 172026613 /nfs/dbraw/zinc/02/66/13/172026613.db2.gz DZILOOCZPYRLQO-GFCCVEGCSA-N 0 0 297.427 4.535 10 0 CJAERN COc1ccc(C)cc1CNc1ccc(Cl)c(Cl)c1 ZINC000035164780 172026682 /nfs/dbraw/zinc/02/66/82/172026682.db2.gz CHTCTHNINZHPMO-UHFFFAOYSA-N 0 0 296.197 4.923 10 0 CJAERN COc1ccc(C)cc1CNc1cc(Cl)ccc1Cl ZINC000035164905 172026564 /nfs/dbraw/zinc/02/65/64/172026564.db2.gz MGOWCLMEFQOJLE-UHFFFAOYSA-N 0 0 296.197 4.923 10 0 CJAERN COc1ccc(C)cc1CNc1ccc(C)c(Cl)c1 ZINC000035164914 172026645 /nfs/dbraw/zinc/02/66/45/172026645.db2.gz HRYHXQNOIGDWKD-UHFFFAOYSA-N 0 0 275.779 4.578 10 0 CJAERN COc1ccc(C)cc1CNc1cccc2ccccc21 ZINC000035164916 172026421 /nfs/dbraw/zinc/02/64/21/172026421.db2.gz JUIXEJICZUJZIL-UHFFFAOYSA-N 0 0 277.367 4.769 10 0 CJAERN COc1ccc(C)cc1CNc1ccccc1C(F)(F)F ZINC000035164924 172026260 /nfs/dbraw/zinc/02/62/60/172026260.db2.gz AGUPUJVJVPZWKJ-UHFFFAOYSA-N 0 0 295.304 4.635 10 0 CJAERN COc1ccc(C)cc1CNc1cccc(C(F)(F)F)c1 ZINC000035164926 172026385 /nfs/dbraw/zinc/02/63/85/172026385.db2.gz YPOMGYSMYXEDTM-UHFFFAOYSA-N 0 0 295.304 4.635 10 0 CJAERN COc1ccc(C)cc1CNc1ccc(C(C)(C)C)cc1 ZINC000035164936 172026562 /nfs/dbraw/zinc/02/65/62/172026562.db2.gz QUZGWJQLWOVODZ-UHFFFAOYSA-N 0 0 283.415 4.913 10 0 CJAERN COc1ccc(C)cc1CNc1ccc(Cl)cc1C ZINC000035164940 172026568 /nfs/dbraw/zinc/02/65/68/172026568.db2.gz HWNOMHWIFCNKCG-UHFFFAOYSA-N 0 0 275.779 4.578 10 0 CJAERN COc1ccc(C)cc1CNc1cccc(Cl)c1C ZINC000035164944 172026660 /nfs/dbraw/zinc/02/66/60/172026660.db2.gz MAUHDPBIUSIXIR-UHFFFAOYSA-N 0 0 275.779 4.578 10 0 CJAERN COc1ccc(C)cc1CNc1ccc(Cl)cc1Cl ZINC000035164946 172026062 /nfs/dbraw/zinc/02/60/62/172026062.db2.gz YAGQCKKDMVRVSO-UHFFFAOYSA-N 0 0 296.197 4.923 10 0 CJAERN COc1ccc(C)cc1CNc1cc(Cl)cc(Cl)c1 ZINC000035164958 172026586 /nfs/dbraw/zinc/02/65/86/172026586.db2.gz XPBBZEXTERVMCG-UHFFFAOYSA-N 0 0 296.197 4.923 10 0 CJAERN COc1ccc(C)cc1CNc1ccc(C)cc1Cl ZINC000035164967 172026156 /nfs/dbraw/zinc/02/61/56/172026156.db2.gz MNAJHDCTKQFWBS-UHFFFAOYSA-N 0 0 275.779 4.578 10 0 CJAERN COc1ccc(C)cc1CNc1ccccc1C(C)C ZINC000035164984 172026631 /nfs/dbraw/zinc/02/66/31/172026631.db2.gz KEVQTXWHVZXXBZ-UHFFFAOYSA-N 0 0 269.388 4.739 10 0 CJAERN COc1ccc(C)cc1CNc1ccc(C(C)C)cc1 ZINC000035164985 172026342 /nfs/dbraw/zinc/02/63/42/172026342.db2.gz MRZLREAKBXLPBL-UHFFFAOYSA-N 0 0 269.388 4.739 10 0 CJAERN COc1ccc(C)cc1CNc1ccc(C(F)(F)F)cc1 ZINC000035164987 172026649 /nfs/dbraw/zinc/02/66/49/172026649.db2.gz ANZKSHARBOJULR-UHFFFAOYSA-N 0 0 295.304 4.635 10 0 CJAERN COc1ccc(C)cc1CNc1cccc(Cl)c1Cl ZINC000035165021 172026320 /nfs/dbraw/zinc/02/63/20/172026320.db2.gz LZAIFSCUMVDZLX-UHFFFAOYSA-N 0 0 296.197 4.923 10 0 CJAERN COc1ccc(C)cc1CNc1cc(Cl)ccc1C ZINC000035165108 172026325 /nfs/dbraw/zinc/02/63/25/172026325.db2.gz QBACRXOTFFQSDP-UHFFFAOYSA-N 0 0 275.779 4.578 10 0 CJAERN COc1ccc(C)cc1CNc1cccc(C(C)C)c1 ZINC000035174365 172027614 /nfs/dbraw/zinc/02/76/14/172027614.db2.gz XUHSVEDBCIPJNV-UHFFFAOYSA-N 0 0 269.388 4.739 10 0 CJAERN CC(=O)c1ccccc1Oc1cc(Cl)cc(Cl)c1 ZINC000035176799 172030103 /nfs/dbraw/zinc/03/01/03/172030103.db2.gz GZQTZCHUGFSGBG-UHFFFAOYSA-N 0 0 281.138 4.988 10 0 CJAERN COc1ccc(Cl)cc1CNc1cccc(Cl)c1 ZINC000035180029 172033789 /nfs/dbraw/zinc/03/37/89/172033789.db2.gz VEFHYEFPBUENRW-UHFFFAOYSA-N 0 0 282.170 4.614 10 0 CJAERN COc1ccc(Cl)cc1CNc1ccc(C)cc1Cl ZINC000035180049 172033217 /nfs/dbraw/zinc/03/32/17/172033217.db2.gz PLDXFIRSAIXHFI-UHFFFAOYSA-N 0 0 296.197 4.923 10 0 CJAERN CCCc1ccc(NCc2cc(Cl)ccc2OC)cc1 ZINC000035180210 172033450 /nfs/dbraw/zinc/03/34/50/172033450.db2.gz IKPZJAKADVLLCU-UHFFFAOYSA-N 0 0 289.806 4.913 10 0 CJAERN CC(=O)[C@H](C)Oc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000035181396 172035137 /nfs/dbraw/zinc/03/51/37/172035137.db2.gz BVKWGPVDWQLNDK-AWEZNQCLSA-N 0 0 276.420 4.757 10 0 CJAERN CC(=O)[C@@H](C)Oc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000035181398 172035135 /nfs/dbraw/zinc/03/51/35/172035135.db2.gz BVKWGPVDWQLNDK-CQSZACIVSA-N 0 0 276.420 4.757 10 0 CJAERN Cc1cc(C)c(C(=O)CSc2ccc(F)cc2)cc1C ZINC000035181448 172034809 /nfs/dbraw/zinc/03/48/09/172034809.db2.gz BGQSIFIONRYAAM-UHFFFAOYSA-N 0 0 288.387 4.726 10 0 CJAERN Cc1cc(C)c(C(=O)CSc2ccc(F)cc2)c(C)c1 ZINC000035181451 172035118 /nfs/dbraw/zinc/03/51/18/172035118.db2.gz GCMAMRQKDGUVRY-UHFFFAOYSA-N 0 0 288.387 4.726 10 0 CJAERN Cc1ccc(C)c(C(=O)[C@@H](C)Sc2ccc(F)cc2)c1 ZINC000035181498 172035713 /nfs/dbraw/zinc/03/57/13/172035713.db2.gz ZUHZRGWPVXTNBI-CYBMUJFWSA-N 0 0 288.387 4.806 10 0 CJAERN Cc1ccc(C)c(C(=O)[C@H](C)Sc2ccc(F)cc2)c1 ZINC000035181500 172035488 /nfs/dbraw/zinc/03/54/88/172035488.db2.gz ZUHZRGWPVXTNBI-ZDUSSCGKSA-N 0 0 288.387 4.806 10 0 CJAERN Cc1ccc(C(=O)[C@@H](C)Sc2ccc(F)cc2)cc1C ZINC000035181505 172035307 /nfs/dbraw/zinc/03/53/07/172035307.db2.gz KJCIMULFQNUYHG-CYBMUJFWSA-N 0 0 288.387 4.806 10 0 CJAERN Cc1ccc(C(=O)[C@H](C)Sc2ccc(F)cc2)cc1C ZINC000035181507 172035653 /nfs/dbraw/zinc/03/56/53/172035653.db2.gz KJCIMULFQNUYHG-ZDUSSCGKSA-N 0 0 288.387 4.806 10 0 CJAERN CCc1ccc(C(=O)[C@@H](C)Sc2ccc(F)cc2)cc1 ZINC000035181509 172035398 /nfs/dbraw/zinc/03/53/98/172035398.db2.gz HGLGBOXEWWNZAC-GFCCVEGCSA-N 0 0 288.387 4.752 10 0 CJAERN O=C(CSc1ccc(F)cc1)c1cc2ccccc2o1 ZINC000035181560 172035310 /nfs/dbraw/zinc/03/53/10/172035310.db2.gz MYTVXPMRWPNVAP-UHFFFAOYSA-N 0 0 286.327 4.547 10 0 CJAERN CCCSc1nc2ccccc2n1-c1ccccc1 ZINC000035181598 172035656 /nfs/dbraw/zinc/03/56/56/172035656.db2.gz HDSVTXDPOSAYGG-UHFFFAOYSA-N 0 0 268.385 4.528 10 0 CJAERN Cc1ccc(O[C@@H](C)C(=O)c2cccc(Cl)c2)c(C)c1 ZINC000035181797 172035438 /nfs/dbraw/zinc/03/54/38/172035438.db2.gz SOPBMTZFQMMEAL-ZDUSSCGKSA-N 0 0 288.774 4.607 10 0 CJAERN Cc1ccc(O[C@H](C)C(=O)c2cccc(Cl)c2)c(C)c1 ZINC000035181798 172035693 /nfs/dbraw/zinc/03/56/93/172035693.db2.gz SOPBMTZFQMMEAL-CYBMUJFWSA-N 0 0 288.774 4.607 10 0 CJAERN Cc1ccc(O[C@H](C)C(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000035181800 172035696 /nfs/dbraw/zinc/03/56/96/172035696.db2.gz FUBJUNQBALMSFA-CYBMUJFWSA-N 0 0 288.774 4.607 10 0 CJAERN Cc1ccc(O[C@@H](C)C(=O)c2cc(C)ccc2C)c(C)c1 ZINC000035181805 172035403 /nfs/dbraw/zinc/03/54/03/172035403.db2.gz ZSIQWZFCDHFNDW-INIZCTEOSA-N 0 0 282.383 4.570 10 0 CJAERN Cc1ccc(O[C@H](C)C(=O)c2cc(C)ccc2C)c(C)c1 ZINC000035181806 172035329 /nfs/dbraw/zinc/03/53/29/172035329.db2.gz ZSIQWZFCDHFNDW-MRXNPFEDSA-N 0 0 282.383 4.570 10 0 CJAERN Cc1ccc(O[C@@H](C)C(=O)c2ccc(C)c(C)c2)c(C)c1 ZINC000035181809 172035444 /nfs/dbraw/zinc/03/54/44/172035444.db2.gz BXOXKDPZZNSTIL-INIZCTEOSA-N 0 0 282.383 4.570 10 0 CJAERN Cc1ccc(O[C@H](C)C(=O)c2ccc(C)c(C)c2)c(C)c1 ZINC000035181810 172035618 /nfs/dbraw/zinc/03/56/18/172035618.db2.gz BXOXKDPZZNSTIL-MRXNPFEDSA-N 0 0 282.383 4.570 10 0 CJAERN CC(C)c1ccc(OCC(=O)c2ccccc2Cl)cc1 ZINC000035181851 172035334 /nfs/dbraw/zinc/03/53/34/172035334.db2.gz CZMQMXUPRLOAFC-UHFFFAOYSA-N 0 0 288.774 4.725 10 0 CJAERN Cc1ccc(C(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 ZINC000035181864 172035477 /nfs/dbraw/zinc/03/54/77/172035477.db2.gz PLWJVADYYKQTKB-HNNXBMFYSA-N 0 0 282.383 4.769 10 0 CJAERN CC(C)c1ccc(O[C@@H](C)C(=O)c2ccc(F)cc2)cc1 ZINC000035181869 172035602 /nfs/dbraw/zinc/03/56/02/172035602.db2.gz OLJOWNAJCGJJJH-ZDUSSCGKSA-N 0 0 286.346 4.599 10 0 CJAERN CC(C)c1ccc(O[C@H](C)C(=O)c2ccc(F)cc2)cc1 ZINC000035181870 172035285 /nfs/dbraw/zinc/03/52/85/172035285.db2.gz OLJOWNAJCGJJJH-CYBMUJFWSA-N 0 0 286.346 4.599 10 0 CJAERN CC(C)c1ccc(OCC(=O)c2ccc(Cl)s2)cc1 ZINC000035181889 172035326 /nfs/dbraw/zinc/03/53/26/172035326.db2.gz PKJRICLEPJOPKJ-UHFFFAOYSA-N 0 0 294.803 4.787 10 0 CJAERN Cc1cc(C)c(C(=O)CSc2ccccc2F)c(C)c1 ZINC000035181925 172035642 /nfs/dbraw/zinc/03/56/42/172035642.db2.gz YMTPZYUMCSWEMW-UHFFFAOYSA-N 0 0 288.387 4.726 10 0 CJAERN Cc1ccc(C)c(C(=O)[C@@H](C)Sc2ccccc2F)c1 ZINC000035181948 172035730 /nfs/dbraw/zinc/03/57/30/172035730.db2.gz RWLAQMSBZLXKFS-CYBMUJFWSA-N 0 0 288.387 4.806 10 0 CJAERN Cc1ccc(C)c(C(=O)[C@H](C)Sc2ccccc2F)c1 ZINC000035181949 172035666 /nfs/dbraw/zinc/03/56/66/172035666.db2.gz RWLAQMSBZLXKFS-ZDUSSCGKSA-N 0 0 288.387 4.806 10 0 CJAERN Cc1ccc(C(=O)[C@H](C)Sc2ccccc2F)cc1C ZINC000035181953 172035725 /nfs/dbraw/zinc/03/57/25/172035725.db2.gz PIAADXGTSRNXSU-ZDUSSCGKSA-N 0 0 288.387 4.806 10 0 CJAERN O=C(CSc1ccccc1F)c1cc2ccccc2o1 ZINC000035181981 172035597 /nfs/dbraw/zinc/03/55/97/172035597.db2.gz TUXAWKXNIWSLGQ-UHFFFAOYSA-N 0 0 286.327 4.547 10 0 CJAERN CC(C)c1cccc(OCC(=O)c2ccccc2Cl)c1 ZINC000035182001 172035548 /nfs/dbraw/zinc/03/55/48/172035548.db2.gz OTGXCGOVGZZLOV-UHFFFAOYSA-N 0 0 288.774 4.725 10 0 CJAERN CC(C)c1cccc(OCC(=O)c2ccc(Cl)cc2)c1 ZINC000035182026 172035344 /nfs/dbraw/zinc/03/53/44/172035344.db2.gz ZYRYLVLWLXWALW-UHFFFAOYSA-N 0 0 288.774 4.725 10 0 CJAERN CC(C)c1cccc(OCC(=O)c2ccc(Cl)s2)c1 ZINC000035182039 172035404 /nfs/dbraw/zinc/03/54/04/172035404.db2.gz RSPNBGKCFYFVHW-UHFFFAOYSA-N 0 0 294.803 4.787 10 0 CJAERN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)c2ccccc2)c1 ZINC000035182044 172035515 /nfs/dbraw/zinc/03/55/15/172035515.db2.gz WQUWWXIYQQAISM-HNNXBMFYSA-N 0 0 282.383 4.769 10 0 CJAERN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)c2ccccc2)c1 ZINC000035182045 172035605 /nfs/dbraw/zinc/03/56/05/172035605.db2.gz WQUWWXIYQQAISM-OAHLLOKOSA-N 0 0 282.383 4.769 10 0 CJAERN Cc1ccc(C(C)C)c(OCC(=O)c2ccc(F)cc2)c1 ZINC000035182050 172035585 /nfs/dbraw/zinc/03/55/85/172035585.db2.gz XIQFMUMUEKAXCM-UHFFFAOYSA-N 0 0 286.346 4.519 10 0 CJAERN Cc1ccc(C(C)C)c(OCC(=O)c2ccccc2F)c1 ZINC000035182059 172035613 /nfs/dbraw/zinc/03/56/13/172035613.db2.gz MZNZZBZMPGWMHQ-UHFFFAOYSA-N 0 0 286.346 4.519 10 0 CJAERN Cc1cc(OCC(=O)c2ccc(F)cc2)ccc1C(C)C ZINC000035182072 172035447 /nfs/dbraw/zinc/03/54/47/172035447.db2.gz SIKVKAVRRMEJOX-UHFFFAOYSA-N 0 0 286.346 4.519 10 0 CJAERN Cc1ccc(C(=O)COc2ccc(C(C)C)c(C)c2)cc1 ZINC000035182077 172035529 /nfs/dbraw/zinc/03/55/29/172035529.db2.gz MSIFYIIVPRSAEF-UHFFFAOYSA-N 0 0 282.383 4.689 10 0 CJAERN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1 ZINC000035182087 172035561 /nfs/dbraw/zinc/03/55/61/172035561.db2.gz FUBDMMFIIXAZOJ-AWEZNQCLSA-N 0 0 282.383 4.634 10 0 CJAERN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1 ZINC000035182088 172035722 /nfs/dbraw/zinc/03/57/22/172035722.db2.gz FUBDMMFIIXAZOJ-CQSZACIVSA-N 0 0 282.383 4.634 10 0 CJAERN O=C(CSc1ccccc1Cl)c1ccccc1Cl ZINC000035182178 172035290 /nfs/dbraw/zinc/03/52/90/172035290.db2.gz IVYURLWYNLFOAQ-UHFFFAOYSA-N 0 0 297.206 4.968 10 0 CJAERN O=C(CSc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000035182213 172035902 /nfs/dbraw/zinc/03/59/02/172035902.db2.gz XQPDHXFXXJVFBS-UHFFFAOYSA-N 0 0 297.206 4.968 10 0 CJAERN Cc1ccc(C)c(O[C@@H](C)C(=O)c2cccc(Cl)c2)c1 ZINC000035182252 172036164 /nfs/dbraw/zinc/03/61/64/172036164.db2.gz VNTJUTIKVOCYGC-ZDUSSCGKSA-N 0 0 288.774 4.607 10 0 CJAERN Cc1ccc(C)c(O[C@H](C)C(=O)c2cccc(Cl)c2)c1 ZINC000035182253 172035978 /nfs/dbraw/zinc/03/59/78/172035978.db2.gz VNTJUTIKVOCYGC-CYBMUJFWSA-N 0 0 288.774 4.607 10 0 CJAERN Cc1ccc(C)c(O[C@H](C)C(=O)c2cc(C)ccc2C)c1 ZINC000035182260 172036458 /nfs/dbraw/zinc/03/64/58/172036458.db2.gz KLABPNBJOMGCPY-MRXNPFEDSA-N 0 0 282.383 4.570 10 0 CJAERN Cc1ccc(C)c(O[C@@H](C)C(=O)c2cc(C)ccc2C)c1 ZINC000035182261 172036416 /nfs/dbraw/zinc/03/64/16/172036416.db2.gz KLABPNBJOMGCPY-INIZCTEOSA-N 0 0 282.383 4.570 10 0 CJAERN Cc1ccc(O[C@@H](C)C(=O)c2ccc(Cl)cc2)cc1C ZINC000035182314 172036398 /nfs/dbraw/zinc/03/63/98/172036398.db2.gz QSMFDGZGZXGYCL-ZDUSSCGKSA-N 0 0 288.774 4.607 10 0 CJAERN Cc1ccc(O[C@H](C)C(=O)c2ccc(Cl)cc2)cc1C ZINC000035182315 172036351 /nfs/dbraw/zinc/03/63/51/172036351.db2.gz QSMFDGZGZXGYCL-CYBMUJFWSA-N 0 0 288.774 4.607 10 0 CJAERN Cc1cc(C)cc(O[C@@H](C)C(=O)c2cccc(Cl)c2)c1 ZINC000035182368 172036319 /nfs/dbraw/zinc/03/63/19/172036319.db2.gz PWGFPLIZLAQAER-ZDUSSCGKSA-N 0 0 288.774 4.607 10 0 CJAERN Cc1cc(C)cc(O[C@@H](C)C(=O)c2ccc(Cl)cc2)c1 ZINC000035182370 172036305 /nfs/dbraw/zinc/03/63/05/172036305.db2.gz SEWRLHMJTUMTSX-ZDUSSCGKSA-N 0 0 288.774 4.607 10 0 CJAERN Cc1cc(C)cc(O[C@H](C)C(=O)c2ccc(C)c(C)c2)c1 ZINC000035182380 172035933 /nfs/dbraw/zinc/03/59/33/172035933.db2.gz BBVIEAFENHGLHE-MRXNPFEDSA-N 0 0 282.383 4.570 10 0 CJAERN Cc1cc(C)cc(O[C@@H](C)C(=O)c2ccc(C)c(C)c2)c1 ZINC000035182381 172036376 /nfs/dbraw/zinc/03/63/76/172036376.db2.gz BBVIEAFENHGLHE-INIZCTEOSA-N 0 0 282.383 4.570 10 0 CJAERN Cc1cc(C)cc(OCC(=O)c2ccc(C(C)C)cc2)c1 ZINC000035182403 172035953 /nfs/dbraw/zinc/03/59/53/172035953.db2.gz ZIZIWRGNZPZIHX-UHFFFAOYSA-N 0 0 282.383 4.689 10 0 CJAERN CCc1ccccc1O[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000035182431 172036037 /nfs/dbraw/zinc/03/60/37/172036037.db2.gz MRQYDEYYMDCRSJ-LBPRGKRZSA-N 0 0 288.774 4.553 10 0 CJAERN CCc1ccccc1O[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000035182432 172036067 /nfs/dbraw/zinc/03/60/67/172036067.db2.gz MRQYDEYYMDCRSJ-GFCCVEGCSA-N 0 0 288.774 4.553 10 0 CJAERN CC[C@@H](C)SCC(=O)c1cc(Cl)ccc1Cl ZINC000035182569 172036443 /nfs/dbraw/zinc/03/64/43/172036443.db2.gz PLXZYKXQRJOGTP-MRVPVSSYSA-N 0 0 277.216 4.708 10 0 CJAERN CC[C@H](C)SCC(=O)c1cc(Cl)ccc1Cl ZINC000035182570 172036359 /nfs/dbraw/zinc/03/63/59/172036359.db2.gz PLXZYKXQRJOGTP-QMMMGPOBSA-N 0 0 277.216 4.708 10 0 CJAERN CC[C@@H](C)SCC(=O)c1ccc(Cl)cc1Cl ZINC000035182641 172036077 /nfs/dbraw/zinc/03/60/77/172036077.db2.gz ZWYQIJMNVARYRT-MRVPVSSYSA-N 0 0 277.216 4.708 10 0 CJAERN CC[C@H](C)SCC(=O)c1ccc(Cl)cc1Cl ZINC000035182642 172035911 /nfs/dbraw/zinc/03/59/11/172035911.db2.gz ZWYQIJMNVARYRT-QMMMGPOBSA-N 0 0 277.216 4.708 10 0 CJAERN CC[C@@H](C)SCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000035182667 172036440 /nfs/dbraw/zinc/03/64/40/172036440.db2.gz QWTPIPBPIKWATE-MRVPVSSYSA-N 0 0 277.216 4.708 10 0 CJAERN CC[C@H](C)SCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000035182668 172036405 /nfs/dbraw/zinc/03/64/05/172036405.db2.gz QWTPIPBPIKWATE-QMMMGPOBSA-N 0 0 277.216 4.708 10 0 CJAERN CC[C@@H](C)SCC(=O)c1ccc(C(C)C)cc1 ZINC000035182675 172036081 /nfs/dbraw/zinc/03/60/81/172036081.db2.gz RHWJFQQFYISHDG-GFCCVEGCSA-N 0 0 250.407 4.524 10 0 CJAERN CC[C@H](C)SCC(=O)c1ccc(C(C)C)cc1 ZINC000035182676 172036372 /nfs/dbraw/zinc/03/63/72/172036372.db2.gz RHWJFQQFYISHDG-LBPRGKRZSA-N 0 0 250.407 4.524 10 0 CJAERN CCc1ccc(O[C@@H](C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000035182880 172036653 /nfs/dbraw/zinc/03/66/53/172036653.db2.gz VCLZNQSPCJSOHW-LBPRGKRZSA-N 0 0 288.774 4.553 10 0 CJAERN CC(C)CSCC(=O)c1cc(Cl)ccc1Cl ZINC000035182939 172036699 /nfs/dbraw/zinc/03/66/99/172036699.db2.gz WVFDSAKTPDSFAP-UHFFFAOYSA-N 0 0 277.216 4.565 10 0 CJAERN CC(C)CSCC(=O)c1ccc(Cl)cc1Cl ZINC000035183310 172036768 /nfs/dbraw/zinc/03/67/68/172036768.db2.gz OSWJCZBCPMMIPM-UHFFFAOYSA-N 0 0 277.216 4.565 10 0 CJAERN CC(C)CSCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000035183323 172036898 /nfs/dbraw/zinc/03/68/98/172036898.db2.gz MXAXGTVLKODLNB-UHFFFAOYSA-N 0 0 277.216 4.565 10 0 CJAERN O=C(CSc1ccc(Cl)cc1)c1ccccc1Cl ZINC000035183588 172036789 /nfs/dbraw/zinc/03/67/89/172036789.db2.gz HCQJRVYXDHROOK-UHFFFAOYSA-N 0 0 297.206 4.968 10 0 CJAERN Cc1ccc(C(=O)CSc2ccc(Cl)cc2)c(C)c1 ZINC000035183602 172036874 /nfs/dbraw/zinc/03/68/74/172036874.db2.gz SYUSTWVHDRWBIG-UHFFFAOYSA-N 0 0 290.815 4.932 10 0 CJAERN Cc1ccc(C(=O)CSc2ccc(Cl)cc2)cc1C ZINC000035183618 172036964 /nfs/dbraw/zinc/03/69/64/172036964.db2.gz RABYMACCYUGDFB-UHFFFAOYSA-N 0 0 290.815 4.932 10 0 CJAERN O=C(CSc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000035183619 172036759 /nfs/dbraw/zinc/03/67/59/172036759.db2.gz OCKMEUCADRJESI-UHFFFAOYSA-N 0 0 297.206 4.968 10 0 CJAERN Cc1ccc(OCC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000035183636 172036762 /nfs/dbraw/zinc/03/67/62/172036762.db2.gz ZGNLWKCRMQUQBF-UHFFFAOYSA-N 0 0 295.165 4.564 10 0 CJAERN Cc1ccc(OCC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000035183670 172036917 /nfs/dbraw/zinc/03/69/17/172036917.db2.gz PPJQLLJIJBQMQZ-UHFFFAOYSA-N 0 0 295.165 4.564 10 0 CJAERN Cc1ccc(OCC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000035183676 172036958 /nfs/dbraw/zinc/03/69/58/172036958.db2.gz RGQHRMACSVLYRX-UHFFFAOYSA-N 0 0 295.165 4.564 10 0 CJAERN Cc1cccc(OCC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000035183698 172036780 /nfs/dbraw/zinc/03/67/80/172036780.db2.gz RELUHMQJHXCGGE-UHFFFAOYSA-N 0 0 295.165 4.564 10 0 CJAERN Cc1cccc(OCC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000035183731 172037399 /nfs/dbraw/zinc/03/73/99/172037399.db2.gz XWQOSWVVHPLJMD-UHFFFAOYSA-N 0 0 295.165 4.564 10 0 CJAERN Cc1cccc(OCC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000035183738 172037447 /nfs/dbraw/zinc/03/74/47/172037447.db2.gz CTTWUWSPDRPKKY-UHFFFAOYSA-N 0 0 295.165 4.564 10 0 CJAERN Cc1ccccc1OCC(=O)c1cc(Cl)ccc1Cl ZINC000035183761 172037234 /nfs/dbraw/zinc/03/72/34/172037234.db2.gz XGIXCQCWLLNEMW-UHFFFAOYSA-N 0 0 295.165 4.564 10 0 CJAERN Cc1ccccc1OCC(=O)c1ccc(Cl)cc1Cl ZINC000035183797 172037493 /nfs/dbraw/zinc/03/74/93/172037493.db2.gz CWTWAYHYYNDLCI-UHFFFAOYSA-N 0 0 295.165 4.564 10 0 CJAERN Cc1cc(C)c(C(=O)CSc2ccccc2)cc1C ZINC000035183974 172037414 /nfs/dbraw/zinc/03/74/14/172037414.db2.gz CEKMEOLVVJJNBK-UHFFFAOYSA-N 0 0 270.397 4.587 10 0 CJAERN Cc1cc(C)c(C(=O)CSc2ccccc2)c(C)c1 ZINC000035183975 172037363 /nfs/dbraw/zinc/03/73/63/172037363.db2.gz PPFALUPEUMGPSO-UHFFFAOYSA-N 0 0 270.397 4.587 10 0 CJAERN O=C(CSc1ccccc1)c1cc(Cl)ccc1Cl ZINC000035183982 172037259 /nfs/dbraw/zinc/03/72/59/172037259.db2.gz QWGAJGDKZVHLGN-UHFFFAOYSA-N 0 0 297.206 4.968 10 0 CJAERN O=C(CSc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000035184007 172037200 /nfs/dbraw/zinc/03/72/00/172037200.db2.gz BWYPFTVEFSOYKL-UHFFFAOYSA-N 0 0 297.206 4.968 10 0 CJAERN O=C(COc1cccc2ccccc21)c1ccccc1Cl ZINC000035184134 172037295 /nfs/dbraw/zinc/03/72/95/172037295.db2.gz GWUQDKBBAOCNRZ-UHFFFAOYSA-N 0 0 296.753 4.755 10 0 CJAERN O=C(COc1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000035184257 172037927 /nfs/dbraw/zinc/03/79/27/172037927.db2.gz QDLWWALAVBEKGF-UHFFFAOYSA-N 0 0 294.375 4.677 10 0 CJAERN O=C(COc1ccc2ccccc2c1)c1ccccc1Cl ZINC000035184261 172037939 /nfs/dbraw/zinc/03/79/39/172037939.db2.gz CHKFROSJHMJDOP-UHFFFAOYSA-N 0 0 296.753 4.755 10 0 CJAERN O=C(COc1ccc2ccccc2c1)c1cccc(Cl)c1 ZINC000035184270 172038266 /nfs/dbraw/zinc/03/82/66/172038266.db2.gz MMFHRZGEGPJTEA-UHFFFAOYSA-N 0 0 296.753 4.755 10 0 CJAERN CC(C)(C)c1ccc(SCC(=O)c2ccco2)cc1 ZINC000035184297 172038204 /nfs/dbraw/zinc/03/82/04/172038204.db2.gz GLISDIGDCFHRAM-UHFFFAOYSA-N 0 0 274.385 4.552 10 0 CJAERN Cc1cccc(O[C@@H](C)C(=O)c2cccc(Cl)c2)c1C ZINC000035184325 172038269 /nfs/dbraw/zinc/03/82/69/172038269.db2.gz OFVUYPXVXQWWEO-ZDUSSCGKSA-N 0 0 288.774 4.607 10 0 CJAERN Cc1cccc(O[C@H](C)C(=O)c2cccc(Cl)c2)c1C ZINC000035184326 172037942 /nfs/dbraw/zinc/03/79/42/172037942.db2.gz OFVUYPXVXQWWEO-CYBMUJFWSA-N 0 0 288.774 4.607 10 0 CJAERN Cc1cccc(O[C@@H](C)C(=O)c2ccc(Cl)cc2)c1C ZINC000035184327 172038274 /nfs/dbraw/zinc/03/82/74/172038274.db2.gz XNHATNRTHOPUJA-ZDUSSCGKSA-N 0 0 288.774 4.607 10 0 CJAERN Cc1cccc(O[C@H](C)C(=O)c2ccc(Cl)cc2)c1C ZINC000035184328 172038178 /nfs/dbraw/zinc/03/81/78/172038178.db2.gz XNHATNRTHOPUJA-CYBMUJFWSA-N 0 0 288.774 4.607 10 0 CJAERN Cc1ccc(C)c(C(=O)[C@@H](C)Oc2cccc(C)c2C)c1 ZINC000035184333 172038181 /nfs/dbraw/zinc/03/81/81/172038181.db2.gz ZGXLPESKKVUACT-MRXNPFEDSA-N 0 0 282.383 4.570 10 0 CJAERN Cc1ccc(C(=O)[C@@H](C)Oc2cccc(C)c2C)cc1C ZINC000035184338 172037958 /nfs/dbraw/zinc/03/79/58/172037958.db2.gz KRRTZVQPALLNRT-MRXNPFEDSA-N 0 0 282.383 4.570 10 0 CJAERN Cc1ccc(C(=O)COc2cccc(C(C)(C)C)c2)cc1 ZINC000035184385 172037918 /nfs/dbraw/zinc/03/79/18/172037918.db2.gz PUPKGSBEQMGCFU-UHFFFAOYSA-N 0 0 282.383 4.554 10 0 CJAERN Cc1ccc(C(=O)[C@@H](C)Sc2ccc(C)c(C)c2)cc1 ZINC000035184420 172038143 /nfs/dbraw/zinc/03/81/43/172038143.db2.gz BKKOPJMIYOJPKI-OAHLLOKOSA-N 0 0 284.424 4.975 10 0 CJAERN Cc1ccc(C(=O)[C@H](C)Sc2ccc(C)c(C)c2)cc1 ZINC000035184421 172038029 /nfs/dbraw/zinc/03/80/29/172038029.db2.gz BKKOPJMIYOJPKI-HNNXBMFYSA-N 0 0 284.424 4.975 10 0 CJAERN Cc1ccc(S[C@@H](C)C(=O)c2ccc(F)cc2)cc1C ZINC000035184432 172037978 /nfs/dbraw/zinc/03/79/78/172037978.db2.gz WEKJDGVOFAVPFV-ZDUSSCGKSA-N 0 0 288.387 4.806 10 0 CJAERN Cc1ccc(S[C@H](C)C(=O)c2ccc(F)cc2)cc1C ZINC000035184433 172038100 /nfs/dbraw/zinc/03/81/00/172038100.db2.gz WEKJDGVOFAVPFV-CYBMUJFWSA-N 0 0 288.387 4.806 10 0 CJAERN Cc1ccc(SCC(=O)c2ccc(Cl)cc2)cc1C ZINC000035184441 172038048 /nfs/dbraw/zinc/03/80/48/172038048.db2.gz KMNOVEKWCMLJAW-UHFFFAOYSA-N 0 0 290.815 4.932 10 0 CJAERN Cc1ccc(C(=O)[C@@H](C)Sc2cc(C)ccc2C)cc1 ZINC000035184492 172038156 /nfs/dbraw/zinc/03/81/56/172038156.db2.gz VZGNTGUKTRPCME-OAHLLOKOSA-N 0 0 284.424 4.975 10 0 CJAERN Cc1ccc(C(=O)[C@H](C)Sc2cc(C)ccc2C)cc1 ZINC000035184493 172037966 /nfs/dbraw/zinc/03/79/66/172037966.db2.gz VZGNTGUKTRPCME-HNNXBMFYSA-N 0 0 284.424 4.975 10 0 CJAERN Cc1ccc(C)c(S[C@@H](C)C(=O)c2ccc(F)cc2)c1 ZINC000035184504 172038153 /nfs/dbraw/zinc/03/81/53/172038153.db2.gz RPVLAIPQUKHDEB-ZDUSSCGKSA-N 0 0 288.387 4.806 10 0 CJAERN Cc1ccc(C)c(S[C@H](C)C(=O)c2ccc(F)cc2)c1 ZINC000035184505 172038307 /nfs/dbraw/zinc/03/83/07/172038307.db2.gz RPVLAIPQUKHDEB-CYBMUJFWSA-N 0 0 288.387 4.806 10 0 CJAERN Cc1ccc(C)c(SCC(=O)c2ccc(Cl)cc2)c1 ZINC000035184513 172037996 /nfs/dbraw/zinc/03/79/96/172037996.db2.gz LHVLVKZLWXXSSE-UHFFFAOYSA-N 0 0 290.815 4.932 10 0 CJAERN Cc1ccc(C(=O)CSc2cc(C)ccc2C)cc1 ZINC000035184525 172037993 /nfs/dbraw/zinc/03/79/93/172037993.db2.gz MPAXVHRKCLRBEG-UHFFFAOYSA-N 0 0 270.397 4.587 10 0 CJAERN Cc1ccc(SCC(=O)c2ccccc2Cl)c(C)c1 ZINC000035184549 172038205 /nfs/dbraw/zinc/03/82/05/172038205.db2.gz ZSBQHESOSQCLPP-UHFFFAOYSA-N 0 0 290.815 4.932 10 0 CJAERN Cc1ccc(C(=O)[C@@H](C)Sc2ccc(C)cc2C)cc1 ZINC000035184563 172038236 /nfs/dbraw/zinc/03/82/36/172038236.db2.gz CKPINKRWHXJCMW-OAHLLOKOSA-N 0 0 284.424 4.975 10 0 CJAERN Cc1ccc(C(=O)[C@H](C)Sc2ccc(C)cc2C)cc1 ZINC000035184564 172038130 /nfs/dbraw/zinc/03/81/30/172038130.db2.gz CKPINKRWHXJCMW-HNNXBMFYSA-N 0 0 284.424 4.975 10 0 CJAERN Cc1ccc(S[C@@H](C)C(=O)c2ccc(F)cc2)c(C)c1 ZINC000035184575 172038103 /nfs/dbraw/zinc/03/81/03/172038103.db2.gz YGFUBVADHKABAE-ZDUSSCGKSA-N 0 0 288.387 4.806 10 0 CJAERN Cc1ccc(S[C@H](C)C(=O)c2ccc(F)cc2)c(C)c1 ZINC000035184576 172038105 /nfs/dbraw/zinc/03/81/05/172038105.db2.gz YGFUBVADHKABAE-CYBMUJFWSA-N 0 0 288.387 4.806 10 0 CJAERN Cc1ccc(SCC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000035184584 172038009 /nfs/dbraw/zinc/03/80/09/172038009.db2.gz LHOHKBBIBKGBDA-UHFFFAOYSA-N 0 0 290.815 4.932 10 0 CJAERN Cc1ccc(C(=O)CSc2ccc(C)cc2C)cc1 ZINC000035184598 172037867 /nfs/dbraw/zinc/03/78/67/172037867.db2.gz AZOVULUUHDHUPF-UHFFFAOYSA-N 0 0 270.397 4.587 10 0 CJAERN Cc1ccc(C(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 ZINC000035184631 172038078 /nfs/dbraw/zinc/03/80/78/172038078.db2.gz BDEIJWATDBBJDN-OAHLLOKOSA-N 0 0 282.383 4.769 10 0 CJAERN Cc1ccc(C(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 ZINC000035184632 172037964 /nfs/dbraw/zinc/03/79/64/172037964.db2.gz BDEIJWATDBBJDN-HNNXBMFYSA-N 0 0 282.383 4.769 10 0 CJAERN CC(C)c1ccccc1O[C@@H](C)C(=O)c1ccc(F)cc1 ZINC000035184637 172038277 /nfs/dbraw/zinc/03/82/77/172038277.db2.gz UAGKLZRWKQUDMG-ZDUSSCGKSA-N 0 0 286.346 4.599 10 0 CJAERN CC(C)c1ccccc1O[C@H](C)C(=O)c1ccc(F)cc1 ZINC000035184638 172038186 /nfs/dbraw/zinc/03/81/86/172038186.db2.gz UAGKLZRWKQUDMG-CYBMUJFWSA-N 0 0 286.346 4.599 10 0 CJAERN O=C(CSc1cc(Cl)ccc1Cl)c1ccco1 ZINC000035184958 172038686 /nfs/dbraw/zinc/03/86/86/172038686.db2.gz BGEXEJBOPOQGBS-UHFFFAOYSA-N 0 0 287.167 4.561 10 0 CJAERN O=C(CSc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000035184964 172038491 /nfs/dbraw/zinc/03/84/91/172038491.db2.gz MHKTYMFPFRGKQI-UHFFFAOYSA-N 0 0 297.206 4.968 10 0 CJAERN C[C@H](O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000035199398 172044632 /nfs/dbraw/zinc/04/46/32/172044632.db2.gz ITDDOODUJRSXFL-JTQLQIEISA-N 0 0 297.181 4.626 10 0 CJAERN C[C@@H](O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000035199401 172044520 /nfs/dbraw/zinc/04/45/20/172044520.db2.gz ITDDOODUJRSXFL-SNVBAGLBSA-N 0 0 297.181 4.626 10 0 CJAERN Cc1cc(C)nc(N[C@@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000035206250 172049796 /nfs/dbraw/zinc/04/97/96/172049796.db2.gz OCBXFMUXBIXLQD-JTQLQIEISA-N 0 0 296.201 4.573 10 0 CJAERN Cc1cc(C)nc(N[C@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000035206251 172050107 /nfs/dbraw/zinc/05/01/07/172050107.db2.gz OCBXFMUXBIXLQD-SNVBAGLBSA-N 0 0 296.201 4.573 10 0 CJAERN CC(C)c1cccc(NCc2cccc(F)c2F)c1 ZINC000035223299 172067505 /nfs/dbraw/zinc/06/75/05/172067505.db2.gz LYIFVPFRWHZQAP-UHFFFAOYSA-N 0 0 261.315 4.700 10 0 CJAERN CCCc1ccc(NCc2cccc(F)c2F)cc1 ZINC000035223302 172067579 /nfs/dbraw/zinc/06/75/79/172067579.db2.gz NTCJBBURQUYUGL-UHFFFAOYSA-N 0 0 261.315 4.529 10 0 CJAERN Cc1cccc(NCc2cc(Cl)ccc2OC(F)F)c1 ZINC000035223371 172067573 /nfs/dbraw/zinc/06/75/73/172067573.db2.gz CLJFGDWGGZVYTG-UHFFFAOYSA-N 0 0 297.732 4.862 10 0 CJAERN Fc1cccc(CNc2cccc(C(F)(F)F)c2)c1F ZINC000035223427 172067581 /nfs/dbraw/zinc/06/75/81/172067581.db2.gz PJINCDNXPXAAGB-UHFFFAOYSA-N 0 0 287.231 4.596 10 0 CJAERN CC(C)(C)c1ccc(NCc2cccc(F)c2F)cc1 ZINC000035223432 172068223 /nfs/dbraw/zinc/06/82/23/172068223.db2.gz CANWJJATMONQQK-UHFFFAOYSA-N 0 0 275.342 4.874 10 0 CJAERN CC(C)c1ccc(NCc2cccc(F)c2F)cc1 ZINC000035223475 172067822 /nfs/dbraw/zinc/06/78/22/172067822.db2.gz YJWMIVVYFCWKBY-UHFFFAOYSA-N 0 0 261.315 4.700 10 0 CJAERN CC[C@@H](C)c1ccc(NCc2ccc(OC)cc2)cc1 ZINC000035223603 172068248 /nfs/dbraw/zinc/06/82/48/172068248.db2.gz HMLUDZHFENBQBS-CQSZACIVSA-N 0 0 269.388 4.821 10 0 CJAERN CC[C@H](C)c1ccc(NCc2ccc(OC)cc2)cc1 ZINC000035223605 172068239 /nfs/dbraw/zinc/06/82/39/172068239.db2.gz HMLUDZHFENBQBS-AWEZNQCLSA-N 0 0 269.388 4.821 10 0 CJAERN Cc1ccccc1NCc1cc(Cl)ccc1OC(F)F ZINC000035223722 172068127 /nfs/dbraw/zinc/06/81/27/172068127.db2.gz RMXNXGGFRPOMLL-UHFFFAOYSA-N 0 0 297.732 4.862 10 0 CJAERN Fc1cccc(CNc2ccc(Cl)c(Cl)c2)c1F ZINC000035223868 172067967 /nfs/dbraw/zinc/06/79/67/172067967.db2.gz VSRPGUFKKDRTPT-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Fc1cccc(CNc2cc(Cl)ccc2Cl)c1F ZINC000035223901 172067935 /nfs/dbraw/zinc/06/79/35/172067935.db2.gz BVXHUBWDSXZLJR-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Cc1c(Cl)cccc1NCc1cccc(F)c1F ZINC000035223946 172067890 /nfs/dbraw/zinc/06/78/90/172067890.db2.gz GHTSFNOQDJVRTB-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Fc1cccc(CNc2ccc(Cl)cc2Cl)c1F ZINC000035223950 172068009 /nfs/dbraw/zinc/06/80/09/172068009.db2.gz IMPRHKVOTSFUBS-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Fc1cccc(CNc2cc(Cl)cc(Cl)c2)c1F ZINC000035223963 172068167 /nfs/dbraw/zinc/06/81/67/172068167.db2.gz SZSNGCCQPWMQJW-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Cc1ccc(NCc2cccc(F)c2F)c(Cl)c1 ZINC000035223969 172068221 /nfs/dbraw/zinc/06/82/21/172068221.db2.gz CXMNAVGWSUWKAD-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Fc1cccc(CNc2ccc(C(F)(F)F)cc2)c1F ZINC000035224037 172068654 /nfs/dbraw/zinc/06/86/54/172068654.db2.gz HTKXSODYBHGCHM-UHFFFAOYSA-N 0 0 287.231 4.596 10 0 CJAERN Cc1ccc(Cl)cc1NCc1cccc(F)c1F ZINC000035224180 172068527 /nfs/dbraw/zinc/06/85/27/172068527.db2.gz YMOJJUIQRUAWHM-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN FC(F)(F)COc1ccc(NCC2CCCCC2)cc1 ZINC000035224561 172068785 /nfs/dbraw/zinc/06/87/85/172068785.db2.gz QTGRXWJRZWWBJJ-UHFFFAOYSA-N 0 0 287.325 4.620 10 0 CJAERN Cc1ccc(C)c(OCC(=O)c2ccc(Cl)s2)c1C ZINC000035224868 172069437 /nfs/dbraw/zinc/06/94/37/172069437.db2.gz RSZPYUCTYUXDPJ-UHFFFAOYSA-N 0 0 294.803 4.588 10 0 CJAERN Cc1ccc(C(C)(C)C)c(OCC(=O)c2cccs2)c1 ZINC000035224878 172069574 /nfs/dbraw/zinc/06/95/74/172069574.db2.gz QUJAARODUUYLAR-UHFFFAOYSA-N 0 0 288.412 4.616 10 0 CJAERN Cc1ccc(OCC(=O)c2cccs2)c(C(C)(C)C)c1 ZINC000035224887 172069801 /nfs/dbraw/zinc/06/98/01/172069801.db2.gz ALOUPELRQCBRKA-UHFFFAOYSA-N 0 0 288.412 4.616 10 0 CJAERN Fc1ccccc1CNc1ccc2sccc2c1 ZINC000035229683 172070142 /nfs/dbraw/zinc/07/01/42/172070142.db2.gz ZLFGQYDBNOGQKE-UHFFFAOYSA-N 0 0 257.333 4.653 10 0 CJAERN Fc1cccc(CNc2ccc3sccc3c2)c1 ZINC000035229703 172070348 /nfs/dbraw/zinc/07/03/48/172070348.db2.gz YAPQFVSZWRJLJE-UHFFFAOYSA-N 0 0 257.333 4.653 10 0 CJAERN COc1cccc(CNc2ccc3sccc3c2)c1 ZINC000035229709 172070359 /nfs/dbraw/zinc/07/03/59/172070359.db2.gz OTWWNZLJPFAGSH-UHFFFAOYSA-N 0 0 269.369 4.522 10 0 CJAERN Cc1ccccc1CNc1ccc2sccc2c1 ZINC000035229711 172070054 /nfs/dbraw/zinc/07/00/54/172070054.db2.gz QHFRGFOGACWTQC-UHFFFAOYSA-N 0 0 253.370 4.822 10 0 CJAERN Cc1cccc(CNc2ccc3sccc3c2)c1 ZINC000035229718 172070357 /nfs/dbraw/zinc/07/03/57/172070357.db2.gz QBNCHHOVOUZSSR-UHFFFAOYSA-N 0 0 253.370 4.822 10 0 CJAERN Cc1ccccc1CNc1ccc(OC2CCCC2)cc1 ZINC000035230157 172070794 /nfs/dbraw/zinc/07/07/94/172070794.db2.gz KTFJIJCDPJLTOC-UHFFFAOYSA-N 0 0 281.399 4.929 10 0 CJAERN CC(C)c1ccc(SCC(=O)c2ccccc2)cc1 ZINC000035230770 172070897 /nfs/dbraw/zinc/07/08/97/172070897.db2.gz GUKIQOMOYPUOEQ-UHFFFAOYSA-N 0 0 270.397 4.785 10 0 CJAERN c1c(-c2ccccn2)c2cccccc-2c1-c1ccccn1 ZINC000035242778 172077939 /nfs/dbraw/zinc/07/79/39/172077939.db2.gz WOYZAKHOSPXCDH-UHFFFAOYSA-N 0 0 282.346 4.915 10 0 CJAERN CCCc1ccccc1NCc1ccccc1Cl ZINC000035252543 172082748 /nfs/dbraw/zinc/08/27/48/172082748.db2.gz ORPLFAITQUKOCJ-UHFFFAOYSA-N 0 0 259.780 4.905 10 0 CJAERN CCCc1ccccc1NCc1ccc(Cl)cc1 ZINC000035252545 172082933 /nfs/dbraw/zinc/08/29/33/172082933.db2.gz GPYQGCTWVKBUOI-UHFFFAOYSA-N 0 0 259.780 4.905 10 0 CJAERN C[C@H](NCc1ccc(Cl)s1)c1cc(F)ccc1F ZINC000035256179 172086354 /nfs/dbraw/zinc/08/63/54/172086354.db2.gz BFZDAJUMAQWNSL-QMMMGPOBSA-N 0 0 287.762 4.531 10 0 CJAERN C[C@@H](NCc1ccc(Cl)s1)c1cc(F)ccc1F ZINC000035256180 172086251 /nfs/dbraw/zinc/08/62/51/172086251.db2.gz BFZDAJUMAQWNSL-MRVPVSSYSA-N 0 0 287.762 4.531 10 0 CJAERN CCN(C(=O)/C=C\c1ccccc1Cl)c1ccccc1C ZINC000035272845 172093717 /nfs/dbraw/zinc/09/37/17/172093717.db2.gz LZDDBWNGNGJKIH-SEYXRHQNSA-N 0 0 299.801 4.715 10 0 CJAERN Cc1cc(NCCc2ccc(Cl)cc2Cl)ccc1N ZINC000035277741 172097619 /nfs/dbraw/zinc/09/76/19/172097619.db2.gz VSIYWUAHOMYJRJ-UHFFFAOYSA-N 0 0 295.213 4.539 10 0 CJAERN Cc1cc(Nc2cc(Cl)ccc2Cl)ccc1N ZINC000035277880 172097682 /nfs/dbraw/zinc/09/76/82/172097682.db2.gz UZDSCFPEYYOTTH-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN Cc1cc(Nc2ccc(Cl)cc2Cl)ccc1N ZINC000035277937 172097469 /nfs/dbraw/zinc/09/74/69/172097469.db2.gz NFMCFIHCDZONHT-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN Cc1cc(Nc2cc(Cl)cc(Cl)c2)ccc1N ZINC000035277999 172097378 /nfs/dbraw/zinc/09/73/78/172097378.db2.gz QKNYOXHRTQEEPG-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN Cc1cc(Nc2ccc(Cl)c(Cl)c2)ccc1N ZINC000035278017 172097400 /nfs/dbraw/zinc/09/74/00/172097400.db2.gz QGLGHYNXLSVWJS-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN Cc1cc(Nc2cccc(Cl)c2Cl)ccc1N ZINC000035278123 172097617 /nfs/dbraw/zinc/09/76/17/172097617.db2.gz XKDXLUIKXJQCAU-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN CCCCc1ccc(Nc2ccc(N)c(C)c2)cc1 ZINC000035278298 172097668 /nfs/dbraw/zinc/09/76/68/172097668.db2.gz XKQFLYKRVVTJRV-UHFFFAOYSA-N 0 0 254.377 4.663 10 0 CJAERN Cc1cc(Oc2cc(Cl)ccc2Cl)ccc1N ZINC000035278339 172097331 /nfs/dbraw/zinc/09/73/31/172097331.db2.gz VZUTZSCMIKJSMF-UHFFFAOYSA-N 0 0 268.143 4.676 10 0 CJAERN Cc1cc(Oc2ccc(Cl)cc2Cl)ccc1N ZINC000035278356 172097231 /nfs/dbraw/zinc/09/72/31/172097231.db2.gz ROPSQPNIJJKVOT-UHFFFAOYSA-N 0 0 268.143 4.676 10 0 CJAERN Cc1cc(Oc2cccc(Cl)c2Cl)ccc1N ZINC000035278452 172097623 /nfs/dbraw/zinc/09/76/23/172097623.db2.gz PWVFRINJHRKASO-UHFFFAOYSA-N 0 0 268.143 4.676 10 0 CJAERN Fc1ccc(Cl)cc1NCc1cc2ccccc2o1 ZINC000035284058 172102030 /nfs/dbraw/zinc/10/20/30/172102030.db2.gz XQQBNTUOHXBURQ-UHFFFAOYSA-N 0 0 275.710 4.837 10 0 CJAERN C[C@H](Nc1cc(Cl)ccc1F)c1cc(F)ccc1F ZINC000035284207 172102187 /nfs/dbraw/zinc/10/21/87/172102187.db2.gz KTKFBMSJIMKIPP-QMMMGPOBSA-N 0 0 285.696 4.930 10 0 CJAERN C[C@@H](Nc1cc(Cl)ccc1F)c1cc(F)ccc1F ZINC000035284208 172102201 /nfs/dbraw/zinc/10/22/01/172102201.db2.gz KTKFBMSJIMKIPP-MRVPVSSYSA-N 0 0 285.696 4.930 10 0 CJAERN C[C@H](Nc1cc(Cl)ccc1F)c1ccc(F)c(F)c1 ZINC000035284240 172102840 /nfs/dbraw/zinc/10/28/40/172102840.db2.gz WZCWUJDZVPKXRR-QMMMGPOBSA-N 0 0 285.696 4.930 10 0 CJAERN C[C@@H](Nc1cc(Cl)ccc1F)c1ccc(F)c(F)c1 ZINC000035284242 172102866 /nfs/dbraw/zinc/10/28/66/172102866.db2.gz WZCWUJDZVPKXRR-MRVPVSSYSA-N 0 0 285.696 4.930 10 0 CJAERN CC[C@H](Nc1cc(Cl)ccc1F)c1ccc(O)cc1 ZINC000035284303 172102729 /nfs/dbraw/zinc/10/27/29/172102729.db2.gz MQRJDNAAZHOXEJ-AWEZNQCLSA-N 0 0 279.742 4.748 10 0 CJAERN CC[C@@H](Nc1cc(Cl)ccc1F)c1ccc(O)cc1 ZINC000035284304 172102667 /nfs/dbraw/zinc/10/26/67/172102667.db2.gz MQRJDNAAZHOXEJ-CQSZACIVSA-N 0 0 279.742 4.748 10 0 CJAERN Cc1ccc([C@@H](C)Nc2cc(Cl)ccc2F)o1 ZINC000035284326 172102615 /nfs/dbraw/zinc/10/26/15/172102615.db2.gz QXLDSYMUNNFZIP-SECBINFHSA-N 0 0 253.704 4.554 10 0 CJAERN Cc1ccc([C@H](C)Nc2cc(Cl)ccc2F)o1 ZINC000035284328 172102679 /nfs/dbraw/zinc/10/26/79/172102679.db2.gz QXLDSYMUNNFZIP-VIFPVBQESA-N 0 0 253.704 4.554 10 0 CJAERN C[C@H](Nc1cc(Cl)ccc1F)c1cccs1 ZINC000035284354 172102805 /nfs/dbraw/zinc/10/28/05/172102805.db2.gz ZESTUGAVPUUCBO-QMMMGPOBSA-N 0 0 255.745 4.714 10 0 CJAERN C[C@@H](Nc1cc(Cl)ccc1F)c1cccs1 ZINC000035284356 172102854 /nfs/dbraw/zinc/10/28/54/172102854.db2.gz ZESTUGAVPUUCBO-MRVPVSSYSA-N 0 0 255.745 4.714 10 0 CJAERN C[C@H](Nc1cc(Cl)ccc1F)c1c(F)cccc1F ZINC000035284372 172102948 /nfs/dbraw/zinc/10/29/48/172102948.db2.gz VOPPIUKOOGJHSI-QMMMGPOBSA-N 0 0 285.696 4.930 10 0 CJAERN C[C@@H](Nc1cc(Cl)ccc1F)c1c(F)cccc1F ZINC000035284373 172102780 /nfs/dbraw/zinc/10/27/80/172102780.db2.gz VOPPIUKOOGJHSI-MRVPVSSYSA-N 0 0 285.696 4.930 10 0 CJAERN C[C@@H]1CCC[C@H](C)C1Nc1cc(Cl)ccc1F ZINC000035284436 172102799 /nfs/dbraw/zinc/10/27/99/172102799.db2.gz SWROWVNRXLGMEB-XFLKPENQSA-N 0 0 255.764 4.716 10 0 CJAERN C[C@H]1CCC[C@H](C)C1Nc1cc(Cl)ccc1F ZINC000035284437 172102743 /nfs/dbraw/zinc/10/27/43/172102743.db2.gz SWROWVNRXLGMEB-UWVGGRQHSA-N 0 0 255.764 4.716 10 0 CJAERN C[C@@H]1CCC[C@@H](C)C1Nc1cc(Cl)ccc1F ZINC000035284439 172102837 /nfs/dbraw/zinc/10/28/37/172102837.db2.gz SWROWVNRXLGMEB-NXEZZACHSA-N 0 0 255.764 4.716 10 0 CJAERN CCC1CCC(Nc2cc(Cl)ccc2F)CC1 ZINC000035284466 172102527 /nfs/dbraw/zinc/10/25/27/172102527.db2.gz YIQZICDWRJEQIK-UHFFFAOYSA-N 0 0 255.764 4.860 10 0 CJAERN CCc1ccc(CNc2cc(Cl)ccc2F)s1 ZINC000035284581 172102587 /nfs/dbraw/zinc/10/25/87/172102587.db2.gz XBQUHUSRHGNZCZ-UHFFFAOYSA-N 0 0 269.772 4.715 10 0 CJAERN Fc1ccc2sc(Nc3cc(Cl)ccc3F)nc2c1 ZINC000035284765 172102964 /nfs/dbraw/zinc/10/29/64/172102964.db2.gz XRHVJGYSYSGGCT-UHFFFAOYSA-N 0 0 296.729 4.972 10 0 CJAERN O=C(c1ccc(-c2cc(Cl)ccc2F)s1)C1CC1 ZINC000035284838 172103333 /nfs/dbraw/zinc/10/33/33/172103333.db2.gz GOIAVMFFBXOFQQ-UHFFFAOYSA-N 0 0 280.751 4.800 10 0 CJAERN CCC(=O)c1ccc(-c2cc(Cl)ccc2F)s1 ZINC000035284844 172103563 /nfs/dbraw/zinc/10/35/63/172103563.db2.gz FTMHHKKBPRELIX-UHFFFAOYSA-N 0 0 268.740 4.800 10 0 CJAERN Cc1ccccc1N[C@@H](C)c1ccc(Cl)s1 ZINC000035285957 330245678 /nfs/dbraw/zinc/24/56/78/330245678.db2.gz RVNLJZQQHQVHKF-JTQLQIEISA-N 0 0 251.782 4.883 10 0 CJAERN Cc1ccccc1N[C@H](C)c1ccc(Cl)s1 ZINC000035285958 330245630 /nfs/dbraw/zinc/24/56/30/330245630.db2.gz RVNLJZQQHQVHKF-SNVBAGLBSA-N 0 0 251.782 4.883 10 0 CJAERN C[C@H](Nc1c(F)cccc1F)c1ccc(Cl)s1 ZINC000035286372 172104385 /nfs/dbraw/zinc/10/43/85/172104385.db2.gz SYSLQLMKZQKYLH-ZETCQYMHSA-N 0 0 273.735 4.853 10 0 CJAERN C[C@@H](Nc1c(F)cccc1F)c1ccc(Cl)s1 ZINC000035286373 172104242 /nfs/dbraw/zinc/10/42/42/172104242.db2.gz SYSLQLMKZQKYLH-SSDOTTSWSA-N 0 0 273.735 4.853 10 0 CJAERN Nc1ccc(Sc2ccccc2Cl)c2ccncc12 ZINC000035333299 172131369 /nfs/dbraw/zinc/13/13/69/172131369.db2.gz RWKWYTCIJUSFOL-UHFFFAOYSA-N 0 0 286.787 4.622 10 0 CJAERN Cc1nc2cc(Oc3ccccc3Cl)c(N)cc2s1 ZINC000035342815 172135356 /nfs/dbraw/zinc/13/53/56/172135356.db2.gz IVHYVGAGCFMVCO-UHFFFAOYSA-N 0 0 290.775 4.633 10 0 CJAERN Cc1nc2cc(Oc3ccc(Cl)cc3)c(N)cc2s1 ZINC000035342818 172135017 /nfs/dbraw/zinc/13/50/17/172135017.db2.gz HPYSBUPCRGMQKP-UHFFFAOYSA-N 0 0 290.775 4.633 10 0 CJAERN Nc1ccc2nc(Sc3ccc(Cl)cc3)ccc2c1 ZINC000035343997 172135705 /nfs/dbraw/zinc/13/57/05/172135705.db2.gz PHOGQJFHVAHNAT-UHFFFAOYSA-N 0 0 286.787 4.622 10 0 CJAERN Nc1ccc2nc(Sc3ccccc3Cl)ccc2c1 ZINC000035344022 172136046 /nfs/dbraw/zinc/13/60/46/172136046.db2.gz WNFDXFFPRHGFPA-UHFFFAOYSA-N 0 0 286.787 4.622 10 0 CJAERN Cc1ccc(Nc2ccc3scnc3c2N)cc1Cl ZINC000035344417 172136639 /nfs/dbraw/zinc/13/66/39/172136639.db2.gz MQSRFGSNXOOSBM-UHFFFAOYSA-N 0 0 289.791 4.584 10 0 CJAERN Cc1ccc(Cl)cc1Nc1ccc2scnc2c1N ZINC000035344556 172136714 /nfs/dbraw/zinc/13/67/14/172136714.db2.gz LPWGESDDHDTOIT-UHFFFAOYSA-N 0 0 289.791 4.584 10 0 CJAERN Cc1cc(Oc2ccc3scnc3c2N)ccc1Cl ZINC000035344919 172137298 /nfs/dbraw/zinc/13/72/98/172137298.db2.gz IBZZYHARULUSEZ-UHFFFAOYSA-N 0 0 290.775 4.633 10 0 CJAERN CCCCCC[C@@H](C)Oc1ccc2scnc2c1N ZINC000035344956 172137023 /nfs/dbraw/zinc/13/70/23/172137023.db2.gz KLJGBJMKYKFJDD-LLVKDONJSA-N 0 0 278.421 4.616 10 0 CJAERN Cc1ccc(Sc2ccc3scnc3c2N)c(C)c1 ZINC000035345014 172136850 /nfs/dbraw/zinc/13/68/50/172136850.db2.gz ZAZOSYINZXTXMO-UHFFFAOYSA-N 0 0 286.425 4.647 10 0 CJAERN Cc1ccc(Sc2ccc3scnc3c2N)cc1C ZINC000035345034 172137167 /nfs/dbraw/zinc/13/71/67/172137167.db2.gz MPDQQTKPUIFKLL-UHFFFAOYSA-N 0 0 286.425 4.647 10 0 CJAERN Cc1ccsc1C(=O)c1c(C)c(C)cc(C)c1C ZINC000035368437 172159526 /nfs/dbraw/zinc/15/95/26/172159526.db2.gz JGNKGEYFBYVKGF-UHFFFAOYSA-N 0 0 258.386 4.521 10 0 CJAERN Cc1ccc(C(=O)c2c(C)c(C)cc(C)c2C)s1 ZINC000035368438 172159435 /nfs/dbraw/zinc/15/94/35/172159435.db2.gz SRSHWWWEOHVZQK-UHFFFAOYSA-N 0 0 258.386 4.521 10 0 CJAERN Cc1ccsc1C(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000035368466 172159854 /nfs/dbraw/zinc/15/98/54/172159854.db2.gz RONPYGBKPWAYCT-UHFFFAOYSA-N 0 0 272.413 4.830 10 0 CJAERN Cc1ccc(C(=O)c2c(C)c(C)c(C)c(C)c2C)s1 ZINC000035368467 172159385 /nfs/dbraw/zinc/15/93/85/172159385.db2.gz JLFPECULIULHIF-UHFFFAOYSA-N 0 0 272.413 4.830 10 0 CJAERN Cc1c(C)c(C)c(C(=O)c2ccsc2)c(C)c1C ZINC000035368472 172159486 /nfs/dbraw/zinc/15/94/86/172159486.db2.gz QYBOJOKGUDLQGY-UHFFFAOYSA-N 0 0 258.386 4.521 10 0 CJAERN O=C(c1cccs1)c1ccc(Oc2ccccc2)cc1 ZINC000035368549 172160101 /nfs/dbraw/zinc/16/01/01/172160101.db2.gz GTAFZUPJHQIMQV-UHFFFAOYSA-N 0 0 280.348 4.771 10 0 CJAERN O=C(c1ccsc1)c1ccc(-c2ccccc2)cc1 ZINC000035368585 172160560 /nfs/dbraw/zinc/16/05/60/172160560.db2.gz LQAFFHXRCVIRGH-UHFFFAOYSA-N 0 0 264.349 4.646 10 0 CJAERN O=C(c1cccs1)c1ccc(-c2ccccc2)cc1 ZINC000035368586 172160220 /nfs/dbraw/zinc/16/02/20/172160220.db2.gz FEHNHERBQRPCSL-UHFFFAOYSA-N 0 0 264.349 4.646 10 0 CJAERN Cc1ccsc1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000035368593 172160597 /nfs/dbraw/zinc/16/05/97/172160597.db2.gz GGHDTEYEQRNLON-UHFFFAOYSA-N 0 0 258.386 4.585 10 0 CJAERN CC[C@@H](C)c1ccc(C(=O)c2cc(C)oc2C)cc1 ZINC000035368606 172160457 /nfs/dbraw/zinc/16/04/57/172160457.db2.gz MPTZQKJTDKDXIM-LLVKDONJSA-N 0 0 256.345 4.641 10 0 CJAERN CC[C@H](C)c1ccc(C(=O)c2cc(C)oc2C)cc1 ZINC000035368607 172160195 /nfs/dbraw/zinc/16/01/95/172160195.db2.gz MPTZQKJTDKDXIM-NSHDSACASA-N 0 0 256.345 4.641 10 0 CJAERN CC[C@@H](C)c1ccc(C(=O)c2sccc2C)cc1 ZINC000035368610 172160414 /nfs/dbraw/zinc/16/04/14/172160414.db2.gz MSGFUVDYPWIUGT-LLVKDONJSA-N 0 0 258.386 4.801 10 0 CJAERN CC[C@H](C)c1ccc(C(=O)c2sccc2C)cc1 ZINC000035368611 172160338 /nfs/dbraw/zinc/16/03/38/172160338.db2.gz MSGFUVDYPWIUGT-NSHDSACASA-N 0 0 258.386 4.801 10 0 CJAERN CC[C@@H](C)c1ccc(C(=O)c2ccc(C)s2)cc1 ZINC000035368612 172160249 /nfs/dbraw/zinc/16/02/49/172160249.db2.gz HLXARNPBNFHAQL-LLVKDONJSA-N 0 0 258.386 4.801 10 0 CJAERN CC[C@H](C)c1ccc(C(=O)c2ccc(C)s2)cc1 ZINC000035368613 172160398 /nfs/dbraw/zinc/16/03/98/172160398.db2.gz HLXARNPBNFHAQL-NSHDSACASA-N 0 0 258.386 4.801 10 0 CJAERN CCCCc1ccc(C(=O)c2sccc2C)cc1 ZINC000035368636 172160112 /nfs/dbraw/zinc/16/01/12/172160112.db2.gz FJZSHDKEIRTOIP-UHFFFAOYSA-N 0 0 258.386 4.630 10 0 CJAERN CCCCc1ccc(C(=O)c2ccc(C)s2)cc1 ZINC000035368637 172160442 /nfs/dbraw/zinc/16/04/42/172160442.db2.gz UKDRRHWTQXEGEO-UHFFFAOYSA-N 0 0 258.386 4.630 10 0 CJAERN CC(C)c1ccc(C(=O)c2ccoc2)c(C(C)C)c1 ZINC000035368719 172160462 /nfs/dbraw/zinc/16/04/62/172160462.db2.gz VBNDNNXAIAFFLP-UHFFFAOYSA-N 0 0 256.345 4.757 10 0 CJAERN CC(C)c1ccc(C(=O)c2ccco2)c(C(C)C)c1 ZINC000035368724 172160149 /nfs/dbraw/zinc/16/01/49/172160149.db2.gz BNZHXLWQRQMTIV-UHFFFAOYSA-N 0 0 256.345 4.757 10 0 CJAERN O=C(c1cc2c(s1)CCCCC2)c1ccc(Cl)cc1 ZINC000035368790 172160173 /nfs/dbraw/zinc/16/01/73/172160173.db2.gz UEWHGKXMRSCHET-UHFFFAOYSA-N 0 0 290.815 4.901 10 0 CJAERN O=C(c1cc2c(s1)CCCC2)c1ccc(Cl)cc1 ZINC000035368799 172160533 /nfs/dbraw/zinc/16/05/33/172160533.db2.gz YSRICKOYEWPNQU-UHFFFAOYSA-N 0 0 276.788 4.511 10 0 CJAERN O=C(c1ccoc1)c1ccc(C2CCCCC2)cc1 ZINC000035368853 172160510 /nfs/dbraw/zinc/16/05/10/172160510.db2.gz JAHSEXSVQCZSCF-UHFFFAOYSA-N 0 0 254.329 4.558 10 0 CJAERN O=C(c1ccco1)c1ccc(C2CCCCC2)cc1 ZINC000035368858 172160584 /nfs/dbraw/zinc/16/05/84/172160584.db2.gz NQXFQVDALBVSBX-UHFFFAOYSA-N 0 0 254.329 4.558 10 0 CJAERN Cc1ccc(C(=O)c2cc3c(s2)CCCCC3)s1 ZINC000035368967 172161109 /nfs/dbraw/zinc/16/11/09/172161109.db2.gz XWCLKOMNFROPNA-UHFFFAOYSA-N 0 0 276.426 4.618 10 0 CJAERN Cc1ccc(C(=O)c2cc3c(s2)CCCCC3)cc1 ZINC000035368982 172161101 /nfs/dbraw/zinc/16/11/01/172161101.db2.gz QOFOTZLUFIJWGS-UHFFFAOYSA-N 0 0 270.397 4.556 10 0 CJAERN CCc1ccc(C(=O)c2cc3c(s2)CCCCC3)s1 ZINC000035369002 172160778 /nfs/dbraw/zinc/16/07/78/172160778.db2.gz FGVSDOFWGNWWBI-UHFFFAOYSA-N 0 0 290.453 4.872 10 0 CJAERN O=C(c1ccc(Cl)s1)c1cc2c(s1)CCCCC2 ZINC000035369018 172160944 /nfs/dbraw/zinc/16/09/44/172160944.db2.gz HYQASGWWVINRII-UHFFFAOYSA-N 0 0 296.844 4.963 10 0 CJAERN O=C(c1ccc(Cl)s1)c1cc2c(s1)CCCC2 ZINC000035369030 172161113 /nfs/dbraw/zinc/16/11/13/172161113.db2.gz GEBCQYHQAXODND-UHFFFAOYSA-N 0 0 282.817 4.573 10 0 CJAERN Cc1cc(C(=O)c2cc3c(s2)CCCCC3)c(C)s1 ZINC000035369195 172160724 /nfs/dbraw/zinc/16/07/24/172160724.db2.gz FXDMBBRBLQHRTM-UHFFFAOYSA-N 0 0 290.453 4.926 10 0 CJAERN Cc1cc(C(=O)c2cc3c(s2)CCCC3)c(C)s1 ZINC000035369209 172160901 /nfs/dbraw/zinc/16/09/01/172160901.db2.gz BIXJCNIZYBUBBG-UHFFFAOYSA-N 0 0 276.426 4.536 10 0 CJAERN Cc1ccsc1C(=O)c1csc2ccccc12 ZINC000035369412 172160857 /nfs/dbraw/zinc/16/08/57/172160857.db2.gz VQTAIVUJZAYGNF-UHFFFAOYSA-N 0 0 258.367 4.502 10 0 CJAERN Cc1ccc(C(=O)c2csc3ccccc23)s1 ZINC000035369414 172161058 /nfs/dbraw/zinc/16/10/58/172161058.db2.gz GBNPKHNRTAQBEG-UHFFFAOYSA-N 0 0 258.367 4.502 10 0 CJAERN O=C(c1cc2c(s1)CCC2)c1csc2ccccc12 ZINC000035369416 172160800 /nfs/dbraw/zinc/16/08/00/172160800.db2.gz PWMIPDWUEGUKRC-UHFFFAOYSA-N 0 0 284.405 4.683 10 0 CJAERN O=C(c1cc2c(s1)CCC2)c1ccc(Cl)c(Cl)c1 ZINC000035379341 172162224 /nfs/dbraw/zinc/16/22/24/172162224.db2.gz SVGGSHPBJZQDRQ-UHFFFAOYSA-N 0 0 297.206 4.775 10 0 CJAERN O=C(c1cc2c(s1)CCC2)c1cc(Cl)ccc1Cl ZINC000035379355 172162481 /nfs/dbraw/zinc/16/24/81/172162481.db2.gz CMQZOMOWQCHLGO-UHFFFAOYSA-N 0 0 297.206 4.775 10 0 CJAERN Cc1ccsc1C(=O)c1cc(Cl)sc1Cl ZINC000035379368 172162339 /nfs/dbraw/zinc/16/23/39/172162339.db2.gz YGLFESWUILTDOH-UHFFFAOYSA-N 0 0 277.197 4.656 10 0 CJAERN Cc1ccc(C(=O)c2cc(Cl)sc2Cl)s1 ZINC000035379369 172162485 /nfs/dbraw/zinc/16/24/85/172162485.db2.gz SXRXLQUIUIGZCV-UHFFFAOYSA-N 0 0 277.197 4.656 10 0 CJAERN CCCCCOc1c(C(C)=O)ccc2ccccc21 ZINC000035424758 172193233 /nfs/dbraw/zinc/19/32/33/172193233.db2.gz ZSMZNHXOEKJUGP-UHFFFAOYSA-N 0 0 256.345 4.611 10 0 CJAERN Clc1ccc2c(Cl)nc(-c3cccs3)nc2c1 ZINC000035440179 172203370 /nfs/dbraw/zinc/20/33/70/172203370.db2.gz UGCKRABBTKXLAO-UHFFFAOYSA-N 0 0 281.167 4.665 10 0 CJAERN Cc1ccc(Cl)cc1N[C@@H](C)CCc1ccco1 ZINC000035450476 172204495 /nfs/dbraw/zinc/20/44/95/172204495.db2.gz AGOJZOGMOIPSMX-LBPRGKRZSA-N 0 0 263.768 4.675 10 0 CJAERN Cc1ccc(Cl)cc1N[C@H](C)CCc1ccco1 ZINC000035450480 172204746 /nfs/dbraw/zinc/20/47/46/172204746.db2.gz AGOJZOGMOIPSMX-GFCCVEGCSA-N 0 0 263.768 4.675 10 0 CJAERN Cc1ccc(N[C@@H](C)CCc2ccco2)cc1Cl ZINC000035450579 172204788 /nfs/dbraw/zinc/20/47/88/172204788.db2.gz QMFDEXFKZQIDCV-LBPRGKRZSA-N 0 0 263.768 4.675 10 0 CJAERN Cc1ccc(N[C@H](C)CCc2ccco2)cc1Cl ZINC000035450584 172204591 /nfs/dbraw/zinc/20/45/91/172204591.db2.gz QMFDEXFKZQIDCV-GFCCVEGCSA-N 0 0 263.768 4.675 10 0 CJAERN C[C@@H](CCc1ccco1)Nc1ccc(F)c(Cl)c1 ZINC000035451895 172205296 /nfs/dbraw/zinc/20/52/96/172205296.db2.gz BTSBVANTJXCVEA-JTQLQIEISA-N 0 0 267.731 4.505 10 0 CJAERN C[C@H](CCc1ccco1)Nc1ccc(F)c(Cl)c1 ZINC000035451897 172205104 /nfs/dbraw/zinc/20/51/04/172205104.db2.gz BTSBVANTJXCVEA-SNVBAGLBSA-N 0 0 267.731 4.505 10 0 CJAERN Cc1ccc(N[C@@H](C)CCc2ccco2)c(Cl)c1 ZINC000035451910 172205169 /nfs/dbraw/zinc/20/51/69/172205169.db2.gz NFDHKIFSBXBAMA-LBPRGKRZSA-N 0 0 263.768 4.675 10 0 CJAERN Cc1ccc(N[C@H](C)CCc2ccco2)c(Cl)c1 ZINC000035451913 172205406 /nfs/dbraw/zinc/20/54/06/172205406.db2.gz NFDHKIFSBXBAMA-GFCCVEGCSA-N 0 0 263.768 4.675 10 0 CJAERN C[C@@H](CCc1ccco1)Nc1cccc(Cl)c1F ZINC000035451922 172205120 /nfs/dbraw/zinc/20/51/20/172205120.db2.gz ULMUDLRVAUKWJT-JTQLQIEISA-N 0 0 267.731 4.505 10 0 CJAERN C[C@H](CCc1ccco1)Nc1cccc(Cl)c1F ZINC000035451925 172205214 /nfs/dbraw/zinc/20/52/14/172205214.db2.gz ULMUDLRVAUKWJT-SNVBAGLBSA-N 0 0 267.731 4.505 10 0 CJAERN C[C@@H](CCc1ccco1)Nc1ccc(F)cc1Cl ZINC000035451977 172205252 /nfs/dbraw/zinc/20/52/52/172205252.db2.gz BUKUUSCTJFECJB-JTQLQIEISA-N 0 0 267.731 4.505 10 0 CJAERN C[C@H](CCc1ccco1)Nc1ccc(F)cc1Cl ZINC000035451979 172205250 /nfs/dbraw/zinc/20/52/50/172205250.db2.gz BUKUUSCTJFECJB-SNVBAGLBSA-N 0 0 267.731 4.505 10 0 CJAERN C[C@@H](CCc1ccco1)Nc1cc(Cl)ccc1F ZINC000035452076 172205482 /nfs/dbraw/zinc/20/54/82/172205482.db2.gz UYWIEDTVEKVXEY-JTQLQIEISA-N 0 0 267.731 4.505 10 0 CJAERN C[C@H](CCc1ccco1)Nc1cc(Cl)ccc1F ZINC000035452079 172205129 /nfs/dbraw/zinc/20/51/29/172205129.db2.gz UYWIEDTVEKVXEY-SNVBAGLBSA-N 0 0 267.731 4.505 10 0 CJAERN CN[C@@H](c1ccc(C2CCCCC2)cc1)C(F)(F)F ZINC000035496449 172229772 /nfs/dbraw/zinc/22/97/72/172229772.db2.gz HKISPQMJQTUMMZ-AWEZNQCLSA-N 0 0 271.326 4.557 10 0 CJAERN CN[C@H](c1ccc(C2CCCCC2)cc1)C(F)(F)F ZINC000035496450 172229710 /nfs/dbraw/zinc/22/97/10/172229710.db2.gz HKISPQMJQTUMMZ-CQSZACIVSA-N 0 0 271.326 4.557 10 0 CJAERN CN[C@@H](c1ccc(Cl)s1)c1c(F)cccc1Cl ZINC000035498520 172232417 /nfs/dbraw/zinc/23/24/17/172232417.db2.gz LTSOVYZFGNIOKS-LBPRGKRZSA-N 0 0 290.190 4.503 10 0 CJAERN CN[C@H](c1ccc(Cl)s1)c1c(F)cccc1Cl ZINC000035498522 172232156 /nfs/dbraw/zinc/23/21/56/172232156.db2.gz LTSOVYZFGNIOKS-GFCCVEGCSA-N 0 0 290.190 4.503 10 0 CJAERN CN[C@@H](c1cc(C)oc1C)c1cc(Cl)sc1Cl ZINC000035502054 172236269 /nfs/dbraw/zinc/23/62/69/172236269.db2.gz QSHYATNWVMAJKZ-NSHDSACASA-N 0 0 290.215 4.574 10 0 CJAERN CN[C@H](c1cc(C)oc1C)c1cc(Cl)sc1Cl ZINC000035502055 172236303 /nfs/dbraw/zinc/23/63/03/172236303.db2.gz QSHYATNWVMAJKZ-LLVKDONJSA-N 0 0 290.215 4.574 10 0 CJAERN CN[C@H](c1cc(Cl)sc1Cl)c1ccccc1F ZINC000035502229 172237783 /nfs/dbraw/zinc/23/77/83/172237783.db2.gz GCXQYHSPWYIUCE-NSHDSACASA-N 0 0 290.190 4.503 10 0 CJAERN CN[C@@H](c1cc(Cl)sc1Cl)c1ccccc1F ZINC000035502230 172237751 /nfs/dbraw/zinc/23/77/51/172237751.db2.gz GCXQYHSPWYIUCE-LLVKDONJSA-N 0 0 290.190 4.503 10 0 CJAERN CN[C@H](c1cc(Cl)sc1Cl)c1cccc(F)c1 ZINC000035502240 172237567 /nfs/dbraw/zinc/23/75/67/172237567.db2.gz TVVLTSIMNHZGMN-NSHDSACASA-N 0 0 290.190 4.503 10 0 CJAERN CN[C@@H](c1cc(Cl)sc1Cl)c1cccc(F)c1 ZINC000035502242 172237608 /nfs/dbraw/zinc/23/76/08/172237608.db2.gz TVVLTSIMNHZGMN-LLVKDONJSA-N 0 0 290.190 4.503 10 0 CJAERN CN[C@H](c1cc(Cl)sc1Cl)c1ccc(F)cc1 ZINC000035502291 172237725 /nfs/dbraw/zinc/23/77/25/172237725.db2.gz JZQYTPACDJUMSM-NSHDSACASA-N 0 0 290.190 4.503 10 0 CJAERN CN[C@@H](c1cc(Cl)sc1Cl)c1ccc(F)cc1 ZINC000035502293 172237814 /nfs/dbraw/zinc/23/78/14/172237814.db2.gz JZQYTPACDJUMSM-LLVKDONJSA-N 0 0 290.190 4.503 10 0 CJAERN CCN[C@@H](c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000035540126 172246073 /nfs/dbraw/zinc/24/60/73/172246073.db2.gz BCHGHYWIMUEVOI-HNNXBMFYSA-N 0 0 298.188 4.831 10 0 CJAERN CCN[C@H](c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000035540127 172245973 /nfs/dbraw/zinc/24/59/73/172245973.db2.gz BCHGHYWIMUEVOI-OAHLLOKOSA-N 0 0 298.188 4.831 10 0 CJAERN Cc1ccccc1NC(=O)c1cccc(-c2ccccc2)c1 ZINC000035552121 172259172 /nfs/dbraw/zinc/25/91/72/172259172.db2.gz CNMJSWOWBGXXPK-UHFFFAOYSA-N 0 0 287.362 4.914 10 0 CJAERN Cc1cccc(NC(=O)c2cccc(-c3ccccc3)c2)c1 ZINC000035552123 172259373 /nfs/dbraw/zinc/25/93/73/172259373.db2.gz FFUXJDKNGGAMLJ-UHFFFAOYSA-N 0 0 287.362 4.914 10 0 CJAERN O=C(Nc1ccc(F)cc1)c1cccc(-c2ccccc2)c1 ZINC000035552149 172259129 /nfs/dbraw/zinc/25/91/29/172259129.db2.gz LEWJKXCRBYBZRP-UHFFFAOYSA-N 0 0 291.325 4.745 10 0 CJAERN Cc1ccccc1NC(=O)c1ccc(-c2cccs2)cc1 ZINC000035552171 172259209 /nfs/dbraw/zinc/25/92/09/172259209.db2.gz DPTHDXPKKIVIMF-UHFFFAOYSA-N 0 0 293.391 4.976 10 0 CJAERN Cc1cccc(NC(=O)c2ccc(-c3cccs3)cc2)c1 ZINC000035552173 172259566 /nfs/dbraw/zinc/25/95/66/172259566.db2.gz XXBQOEUHAMNLAM-UHFFFAOYSA-N 0 0 293.391 4.976 10 0 CJAERN O=C(Nc1ccc(F)cc1)c1ccc(-c2cccs2)cc1 ZINC000035552198 172259515 /nfs/dbraw/zinc/25/95/15/172259515.db2.gz NBZHVFOQVZUFTI-UHFFFAOYSA-N 0 0 297.354 4.807 10 0 CJAERN CCN[C@@H](c1ccc(C)o1)c1cc(Cl)ccc1Cl ZINC000035558628 172264630 /nfs/dbraw/zinc/26/46/30/172264630.db2.gz YMCUSCJOXMSTTQ-CQSZACIVSA-N 0 0 284.186 4.594 10 0 CJAERN CCN[C@H](c1ccc(C)o1)c1cc(Cl)ccc1Cl ZINC000035558631 172264242 /nfs/dbraw/zinc/26/42/42/172264242.db2.gz YMCUSCJOXMSTTQ-AWEZNQCLSA-N 0 0 284.186 4.594 10 0 CJAERN CCN[C@H](c1occc1C)c1cc(Cl)ccc1Cl ZINC000035558660 172264456 /nfs/dbraw/zinc/26/44/56/172264456.db2.gz QOGKSEQUCTXKLG-ZDUSSCGKSA-N 0 0 284.186 4.594 10 0 CJAERN CCN[C@@H](c1occc1C)c1cc(Cl)ccc1Cl ZINC000035558662 172264309 /nfs/dbraw/zinc/26/43/09/172264309.db2.gz QOGKSEQUCTXKLG-CYBMUJFWSA-N 0 0 284.186 4.594 10 0 CJAERN CCN[C@@H](c1ccccc1F)c1cc(Cl)ccc1Cl ZINC000035558983 172264384 /nfs/dbraw/zinc/26/43/84/172264384.db2.gz MPGFSJMDFPGILF-HNNXBMFYSA-N 0 0 298.188 4.831 10 0 CJAERN CCN[C@H](c1ccccc1F)c1cc(Cl)ccc1Cl ZINC000035558986 172264259 /nfs/dbraw/zinc/26/42/59/172264259.db2.gz MPGFSJMDFPGILF-OAHLLOKOSA-N 0 0 298.188 4.831 10 0 CJAERN CCN[C@@H](c1ccc(C)o1)c1cc(Cl)sc1Cl ZINC000035559188 172264683 /nfs/dbraw/zinc/26/46/83/172264683.db2.gz YXNTZVYMRZCHBC-LLVKDONJSA-N 0 0 290.215 4.655 10 0 CJAERN CCN[C@H](c1ccc(C)o1)c1cc(Cl)sc1Cl ZINC000035559191 172264474 /nfs/dbraw/zinc/26/44/74/172264474.db2.gz YXNTZVYMRZCHBC-NSHDSACASA-N 0 0 290.215 4.655 10 0 CJAERN CCN[C@@H](c1cc(Cl)sc1Cl)c1occc1C ZINC000035559226 172264316 /nfs/dbraw/zinc/26/43/16/172264316.db2.gz MOTNFGLXAGPJOE-JTQLQIEISA-N 0 0 290.215 4.655 10 0 CJAERN CCN[C@H](c1cc(Cl)sc1Cl)c1occc1C ZINC000035559228 172264084 /nfs/dbraw/zinc/26/40/84/172264084.db2.gz MOTNFGLXAGPJOE-SNVBAGLBSA-N 0 0 290.215 4.655 10 0 CJAERN CCN[C@@H](c1ccoc1C)c1cc(Cl)sc1Cl ZINC000035559247 172264595 /nfs/dbraw/zinc/26/45/95/172264595.db2.gz WVEXSBMRZYQKGX-NSHDSACASA-N 0 0 290.215 4.655 10 0 CJAERN CCN[C@H](c1ccoc1C)c1cc(Cl)sc1Cl ZINC000035559250 172264745 /nfs/dbraw/zinc/26/47/45/172264745.db2.gz WVEXSBMRZYQKGX-LLVKDONJSA-N 0 0 290.215 4.655 10 0 CJAERN Clc1cccc2c1Cc1c(Cl)cccc1N2 ZINC000035569566 172264983 /nfs/dbraw/zinc/26/49/83/172264983.db2.gz GYNSSHPSYIHJSH-UHFFFAOYSA-N 0 0 250.128 4.641 10 0 CJAERN Clc1ccc2c(c1)Cc1cc(Cl)ccc1N2 ZINC000035569569 172265249 /nfs/dbraw/zinc/26/52/49/172265249.db2.gz OEFPBGNDFTWQLO-UHFFFAOYSA-N 0 0 250.128 4.641 10 0 CJAERN Cc1cnc2c(Cl)cccc2c1-c1cccc(O)c1 ZINC000035570424 172266097 /nfs/dbraw/zinc/26/60/97/172266097.db2.gz XFVUMRNXBQOKKF-UHFFFAOYSA-N 0 0 269.731 4.569 10 0 CJAERN O=Cc1ccc(-c2cc(Cl)ccc2Cl)s1 ZINC000035575780 172271983 /nfs/dbraw/zinc/27/19/83/172271983.db2.gz ITKPKGAJIHSDBW-UHFFFAOYSA-N 0 0 257.141 4.534 10 0 CJAERN S=c1nc(-c2ccccc2)[nH]c2sc3c(c21)CCC3 ZINC000035576355 172272519 /nfs/dbraw/zinc/27/25/19/172272519.db2.gz IELLHEQSSFYRNI-UHFFFAOYSA-N 0 0 284.409 4.510 10 0 CJAERN CCCN[C@@H](c1csc2ccccc12)C(F)(F)F ZINC000035583986 172282745 /nfs/dbraw/zinc/28/27/45/172282745.db2.gz QLSGPDKWSXBNTC-LBPRGKRZSA-N 0 0 273.323 4.504 10 0 CJAERN CCCN[C@H](c1csc2ccccc12)C(F)(F)F ZINC000035583987 172282384 /nfs/dbraw/zinc/28/23/84/172282384.db2.gz QLSGPDKWSXBNTC-GFCCVEGCSA-N 0 0 273.323 4.504 10 0 CJAERN CCCN[C@@H](c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000035584825 172284135 /nfs/dbraw/zinc/28/41/35/172284135.db2.gz LPUOQIFNDSTNLY-JTQLQIEISA-N 0 0 286.124 4.596 10 0 CJAERN CCCN[C@H](c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000035584826 172284302 /nfs/dbraw/zinc/28/43/02/172284302.db2.gz LPUOQIFNDSTNLY-SNVBAGLBSA-N 0 0 286.124 4.596 10 0 CJAERN CCCN[C@@H](c1ccco1)c1cc(Cl)ccc1Cl ZINC000035585022 172285053 /nfs/dbraw/zinc/28/50/53/172285053.db2.gz QEMJZMAETIETAZ-CQSZACIVSA-N 0 0 284.186 4.675 10 0 CJAERN CCCN[C@H](c1ccco1)c1cc(Cl)ccc1Cl ZINC000035585023 172284661 /nfs/dbraw/zinc/28/46/61/172284661.db2.gz QEMJZMAETIETAZ-AWEZNQCLSA-N 0 0 284.186 4.675 10 0 CJAERN CCCN[C@@H](c1cc(Cl)ccc1Cl)C(F)(F)F ZINC000035585050 172284989 /nfs/dbraw/zinc/28/49/89/172284989.db2.gz LMTZKLAUNKYXCB-JTQLQIEISA-N 0 0 286.124 4.596 10 0 CJAERN CCCN[C@H](c1cc(Cl)ccc1Cl)C(F)(F)F ZINC000035585051 172285068 /nfs/dbraw/zinc/28/50/68/172285068.db2.gz LMTZKLAUNKYXCB-SNVBAGLBSA-N 0 0 286.124 4.596 10 0 CJAERN CCCN[C@@H](c1ccco1)c1cc(Cl)sc1Cl ZINC000035585281 172284747 /nfs/dbraw/zinc/28/47/47/172284747.db2.gz HTMQHYCXWCYJDT-LLVKDONJSA-N 0 0 290.215 4.737 10 0 CJAERN CCCN[C@H](c1ccco1)c1cc(Cl)sc1Cl ZINC000035585283 172284692 /nfs/dbraw/zinc/28/46/92/172284692.db2.gz HTMQHYCXWCYJDT-NSHDSACASA-N 0 0 290.215 4.737 10 0 CJAERN CCCN[C@@H](c1ccoc1)c1cc(Cl)sc1Cl ZINC000035585284 172284804 /nfs/dbraw/zinc/28/48/04/172284804.db2.gz PXXGNUHUILOOGO-NSHDSACASA-N 0 0 290.215 4.737 10 0 CJAERN CCCN[C@H](c1ccoc1)c1cc(Cl)sc1Cl ZINC000035585285 172284955 /nfs/dbraw/zinc/28/49/55/172284955.db2.gz PXXGNUHUILOOGO-LLVKDONJSA-N 0 0 290.215 4.737 10 0 CJAERN CCCN[C@@H](c1cc(Cl)sc1Cl)C(F)(F)F ZINC000035585327 172284612 /nfs/dbraw/zinc/28/46/12/172284612.db2.gz VAIVHFLBCOHTPC-ZETCQYMHSA-N 0 0 292.153 4.658 10 0 CJAERN CCCN[C@H](c1cc(Cl)sc1Cl)C(F)(F)F ZINC000035585330 172284821 /nfs/dbraw/zinc/28/48/21/172284821.db2.gz VAIVHFLBCOHTPC-SSDOTTSWSA-N 0 0 292.153 4.658 10 0 CJAERN CC[C@H](NCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000035624745 172305165 /nfs/dbraw/zinc/30/51/65/172305165.db2.gz YFHGSFQAJXFGCI-JTQLQIEISA-N 0 0 286.124 4.596 10 0 CJAERN CC[C@@H](NCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000035624747 172304977 /nfs/dbraw/zinc/30/49/77/172304977.db2.gz YFHGSFQAJXFGCI-SNVBAGLBSA-N 0 0 286.124 4.596 10 0 CJAERN CC[C@H](Nc1cccnc1)c1ccc(Cl)cc1Cl ZINC000035624822 172304915 /nfs/dbraw/zinc/30/49/15/172304915.db2.gz SGAIWNFQHVSBOU-AWEZNQCLSA-N 0 0 281.186 4.952 10 0 CJAERN CC[C@@H](Nc1cccnc1)c1ccc(Cl)cc1Cl ZINC000035624824 172304898 /nfs/dbraw/zinc/30/48/98/172304898.db2.gz SGAIWNFQHVSBOU-CQSZACIVSA-N 0 0 281.186 4.952 10 0 CJAERN C[C@@H](O)c1ccc(OCc2ccc(C(C)(C)C)cc2)cc1 ZINC000035626328 172305855 /nfs/dbraw/zinc/30/58/55/172305855.db2.gz FVIQFDKLWOKANU-CQSZACIVSA-N 0 0 284.399 4.616 10 0 CJAERN C[C@@H](O)c1ccccc1OCc1c(Cl)cccc1Cl ZINC000035626766 172305485 /nfs/dbraw/zinc/30/54/85/172305485.db2.gz VMDLWDIPNXVMSI-SNVBAGLBSA-N 0 0 297.181 4.626 10 0 CJAERN C[C@@H](O)c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000035626770 172305509 /nfs/dbraw/zinc/30/55/09/172305509.db2.gz VAOCXLQEOXPZJA-SNVBAGLBSA-N 0 0 297.181 4.626 10 0 CJAERN C[C@@H](O)c1ccccc1OCc1ccc(C(C)(C)C)cc1 ZINC000035627043 172305623 /nfs/dbraw/zinc/30/56/23/172305623.db2.gz BTNPISCHMQDUQI-CQSZACIVSA-N 0 0 284.399 4.616 10 0 CJAERN C[C@@H](O)c1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000035627540 172306370 /nfs/dbraw/zinc/30/63/70/172306370.db2.gz SJCKQLPLEOWHQK-SNVBAGLBSA-N 0 0 297.181 4.626 10 0 CJAERN C[C@H](O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000035627543 172306300 /nfs/dbraw/zinc/30/63/00/172306300.db2.gz GTGJOLHARYXLGT-JTQLQIEISA-N 0 0 297.181 4.626 10 0 CJAERN C[C@@H](O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000035627544 172306390 /nfs/dbraw/zinc/30/63/90/172306390.db2.gz GTGJOLHARYXLGT-SNVBAGLBSA-N 0 0 297.181 4.626 10 0 CJAERN C[C@@H](O)c1cccc(OCc2ccc(C(C)(C)C)cc2)c1 ZINC000035627784 172306973 /nfs/dbraw/zinc/30/69/73/172306973.db2.gz QJMMKQKOMGIQEC-CQSZACIVSA-N 0 0 284.399 4.616 10 0 CJAERN C[C@H](O)c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000035627795 172306960 /nfs/dbraw/zinc/30/69/60/172306960.db2.gz OEYYQRCVJFHWSO-JTQLQIEISA-N 0 0 297.181 4.626 10 0 CJAERN C[C@@H](O)c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000035627796 172306750 /nfs/dbraw/zinc/30/67/50/172306750.db2.gz OEYYQRCVJFHWSO-SNVBAGLBSA-N 0 0 297.181 4.626 10 0 CJAERN CCCCCCOc1c2ccccc2ccc1[C@@H](C)O ZINC000035627935 172307047 /nfs/dbraw/zinc/30/70/47/172307047.db2.gz FRIDTUMFMJEVGQ-CQSZACIVSA-N 0 0 272.388 4.852 10 0 CJAERN C[C@H](O)c1ccc2ccccc2c1OC1CCCCC1 ZINC000035627987 172306946 /nfs/dbraw/zinc/30/69/46/172306946.db2.gz CSRSZXGPCNRJAJ-ZDUSSCGKSA-N 0 0 270.372 4.605 10 0 CJAERN C[C@@H](O)c1ccc2ccccc2c1OCc1cccs1 ZINC000035628018 172306691 /nfs/dbraw/zinc/30/66/91/172306691.db2.gz JKANOBHICGUTJT-GFCCVEGCSA-N 0 0 284.380 4.534 10 0 CJAERN Cc1cc(Oc2cccc(F)c2[C@@H](C)O)ccc1Cl ZINC000035631906 172314538 /nfs/dbraw/zinc/31/45/38/172314538.db2.gz MSQWGDWZGHQKFI-SNVBAGLBSA-N 0 0 280.726 4.633 10 0 CJAERN Cc1cc(Oc2ccc([C@H](C)O)cc2F)ccc1Cl ZINC000035631911 172314521 /nfs/dbraw/zinc/31/45/21/172314521.db2.gz YSNSLBSLJNPAOF-JTQLQIEISA-N 0 0 280.726 4.633 10 0 CJAERN Cc1cc(Oc2ccc(F)cc2[C@@H](C)O)ccc1Cl ZINC000035631914 172314583 /nfs/dbraw/zinc/31/45/83/172314583.db2.gz SQABWKGGIGBQJG-SNVBAGLBSA-N 0 0 280.726 4.633 10 0 CJAERN Cc1cc(Oc2ccc(F)cc2[C@H](C)O)ccc1Cl ZINC000035631915 172314400 /nfs/dbraw/zinc/31/44/00/172314400.db2.gz SQABWKGGIGBQJG-JTQLQIEISA-N 0 0 280.726 4.633 10 0 CJAERN C[C@H](O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000035631918 172314480 /nfs/dbraw/zinc/31/44/80/172314480.db2.gz ZZKBXSWETHEFMC-VIFPVBQESA-N 0 0 283.154 4.839 10 0 CJAERN C[C@@H](O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000035631919 172314593 /nfs/dbraw/zinc/31/45/93/172314593.db2.gz ZZKBXSWETHEFMC-SECBINFHSA-N 0 0 283.154 4.839 10 0 CJAERN C[C@H](O)c1ccc(Oc2ccccc2C(F)(F)F)cc1 ZINC000035632004 172314483 /nfs/dbraw/zinc/31/44/83/172314483.db2.gz OKHOJDKXABHCFJ-JTQLQIEISA-N 0 0 282.261 4.551 10 0 CJAERN Cc1cc(Cl)cc(C)c1Oc1cccc(F)c1[C@@H](C)O ZINC000035632024 172314409 /nfs/dbraw/zinc/31/44/09/172314409.db2.gz BDQZKDIMUORPSK-LLVKDONJSA-N 0 0 294.753 4.942 10 0 CJAERN Cc1cc(Cl)cc(C)c1Oc1ccc([C@@H](C)O)cc1 ZINC000035632026 172314495 /nfs/dbraw/zinc/31/44/95/172314495.db2.gz DMGGXJWHKMKWOA-GFCCVEGCSA-N 0 0 276.763 4.802 10 0 CJAERN Cc1cc(Cl)cc(C)c1Oc1ccc([C@H](C)O)cc1 ZINC000035632027 172314249 /nfs/dbraw/zinc/31/42/49/172314249.db2.gz DMGGXJWHKMKWOA-LBPRGKRZSA-N 0 0 276.763 4.802 10 0 CJAERN Cc1cc(Cl)cc(C)c1Oc1ccc([C@@H](C)O)cc1F ZINC000035632028 172314287 /nfs/dbraw/zinc/31/42/87/172314287.db2.gz IIEUANOCBKKOHG-LLVKDONJSA-N 0 0 294.753 4.942 10 0 CJAERN Cc1cc(Cl)cc(C)c1Oc1ccc(F)cc1[C@@H](C)O ZINC000035632030 172314447 /nfs/dbraw/zinc/31/44/47/172314447.db2.gz DHAQHVLEKNWHJW-LLVKDONJSA-N 0 0 294.753 4.942 10 0 CJAERN C[C@@H](O)c1c(F)cccc1Oc1ccccc1C(C)(C)C ZINC000035632053 172314176 /nfs/dbraw/zinc/31/41/76/172314176.db2.gz WQPOQCZBVCXWNA-GFCCVEGCSA-N 0 0 288.362 4.969 10 0 CJAERN C[C@H](O)c1ccc(Oc2ccccc2C(C)(C)C)cc1 ZINC000035632054 172314351 /nfs/dbraw/zinc/31/43/51/172314351.db2.gz ODCQNVLHDCXDLT-ZDUSSCGKSA-N 0 0 270.372 4.830 10 0 CJAERN C[C@@H](O)c1ccc(Oc2ccccc2C(C)(C)C)c(F)c1 ZINC000035632057 172314335 /nfs/dbraw/zinc/31/43/35/172314335.db2.gz WCCORNOOEVOKQK-GFCCVEGCSA-N 0 0 288.362 4.969 10 0 CJAERN C[C@@H](O)c1cc(F)ccc1Oc1ccccc1C(C)(C)C ZINC000035632059 172314306 /nfs/dbraw/zinc/31/43/06/172314306.db2.gz ODSMODPCFZCEAT-GFCCVEGCSA-N 0 0 288.362 4.969 10 0 CJAERN C[C@H](O)c1ccc(Oc2cc(Cl)ccc2Cl)cc1 ZINC000035632070 172314547 /nfs/dbraw/zinc/31/45/47/172314547.db2.gz LWYOSISFFOZNCB-VIFPVBQESA-N 0 0 283.154 4.839 10 0 CJAERN C[C@@H](O)c1ccc(Oc2cc(Cl)ccc2Cl)cc1 ZINC000035632071 172314571 /nfs/dbraw/zinc/31/45/71/172314571.db2.gz LWYOSISFFOZNCB-SECBINFHSA-N 0 0 283.154 4.839 10 0 CJAERN CC(C)c1ccc(Oc2cccc(F)c2[C@@H](C)O)cc1 ZINC000035632096 172314507 /nfs/dbraw/zinc/31/45/07/172314507.db2.gz XIHVEHWJJQBIJU-GFCCVEGCSA-N 0 0 274.335 4.795 10 0 CJAERN CC(C)c1ccc(Oc2ccc([C@@H](C)O)cc2)cc1 ZINC000035632098 172314258 /nfs/dbraw/zinc/31/42/58/172314258.db2.gz VOWHINQFSRDWET-CYBMUJFWSA-N 0 0 256.345 4.656 10 0 CJAERN CC(C)c1ccc(Oc2ccc([C@@H](C)O)cc2F)cc1 ZINC000035632100 172314219 /nfs/dbraw/zinc/31/42/19/172314219.db2.gz RMGRXYOZFZWNPK-GFCCVEGCSA-N 0 0 274.335 4.795 10 0 CJAERN CC(C)c1ccc(Oc2ccc(F)cc2[C@@H](C)O)cc1 ZINC000035632102 172314236 /nfs/dbraw/zinc/31/42/36/172314236.db2.gz ZISKVFCQEWQVMX-GFCCVEGCSA-N 0 0 274.335 4.795 10 0 CJAERN CC(C)c1cccc(Oc2cccc(F)c2[C@@H](C)O)c1 ZINC000035632112 172314471 /nfs/dbraw/zinc/31/44/71/172314471.db2.gz XKZMREQTBGZPHQ-GFCCVEGCSA-N 0 0 274.335 4.795 10 0 CJAERN CC(C)c1cccc(Oc2ccc([C@@H](C)O)cc2)c1 ZINC000035632114 172314434 /nfs/dbraw/zinc/31/44/34/172314434.db2.gz ATFUKPBPCFKAPK-CYBMUJFWSA-N 0 0 256.345 4.656 10 0 CJAERN CC(C)c1cccc(Oc2ccc([C@@H](C)O)cc2F)c1 ZINC000035632116 172314598 /nfs/dbraw/zinc/31/45/98/172314598.db2.gz QQJXZHLUGVTODU-GFCCVEGCSA-N 0 0 274.335 4.795 10 0 CJAERN CC(C)c1cccc(Oc2ccc(F)cc2[C@H](C)O)c1 ZINC000035632119 172314332 /nfs/dbraw/zinc/31/43/32/172314332.db2.gz VHTCIQKTAPCDFZ-LBPRGKRZSA-N 0 0 274.335 4.795 10 0 CJAERN Cc1ccc(C(C)C)c(Oc2ccc([C@H](C)O)cc2)c1 ZINC000035632163 172314529 /nfs/dbraw/zinc/31/45/29/172314529.db2.gz ICHBYONSFGAANY-AWEZNQCLSA-N 0 0 270.372 4.964 10 0 CJAERN Cc1cc(Oc2ccc([C@H](C)O)cc2)ccc1C(C)C ZINC000035632171 172314279 /nfs/dbraw/zinc/31/42/79/172314279.db2.gz PHROYOVCIWGBHF-AWEZNQCLSA-N 0 0 270.372 4.964 10 0 CJAERN C[C@@H](O)c1c(F)cccc1Oc1ccc(C(C)(C)C)cc1 ZINC000035632177 172314793 /nfs/dbraw/zinc/31/47/93/172314793.db2.gz UUDXXAOIEXTECV-GFCCVEGCSA-N 0 0 288.362 4.969 10 0 CJAERN C[C@H](O)c1ccc(Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000035632178 172314986 /nfs/dbraw/zinc/31/49/86/172314986.db2.gz QVNLXWZZXBQRMJ-ZDUSSCGKSA-N 0 0 270.372 4.830 10 0 CJAERN C[C@@H](O)c1ccc(Oc2ccc(C(C)(C)C)cc2)c(F)c1 ZINC000035632181 172315039 /nfs/dbraw/zinc/31/50/39/172315039.db2.gz NYFOFZSSQVBGEK-GFCCVEGCSA-N 0 0 288.362 4.969 10 0 CJAERN C[C@@H](O)c1cc(F)ccc1Oc1ccc(C(C)(C)C)cc1 ZINC000035632183 172314788 /nfs/dbraw/zinc/31/47/88/172314788.db2.gz CMCDGBIYHWCJLK-GFCCVEGCSA-N 0 0 288.362 4.969 10 0 CJAERN C[C@H](O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000035632328 172314956 /nfs/dbraw/zinc/31/49/56/172314956.db2.gz BWTCURUACKEZMR-VIFPVBQESA-N 0 0 283.154 4.839 10 0 CJAERN C[C@@H](O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000035632329 172315112 /nfs/dbraw/zinc/31/51/12/172315112.db2.gz BWTCURUACKEZMR-SECBINFHSA-N 0 0 283.154 4.839 10 0 CJAERN C[C@@H](O)c1c(F)cccc1Oc1cccc2ccccc21 ZINC000035632357 172314988 /nfs/dbraw/zinc/31/49/88/172314988.db2.gz OJBZQQXOJDQEMY-GFCCVEGCSA-N 0 0 282.314 4.825 10 0 CJAERN C[C@H](O)c1ccc(Oc2cccc3ccccc32)cc1 ZINC000035632358 172315047 /nfs/dbraw/zinc/31/50/47/172315047.db2.gz VBMUUFWOMLWKDY-ZDUSSCGKSA-N 0 0 264.324 4.685 10 0 CJAERN C[C@@H](O)c1ccc(Oc2cccc3ccccc32)c(F)c1 ZINC000035632361 172315096 /nfs/dbraw/zinc/31/50/96/172315096.db2.gz VOHAJQRFIKOPDZ-GFCCVEGCSA-N 0 0 282.314 4.825 10 0 CJAERN C[C@@H](O)c1cc(F)ccc1Oc1cccc2ccccc21 ZINC000035632363 172314820 /nfs/dbraw/zinc/31/48/20/172314820.db2.gz OXKZRMCQIWPBAY-GFCCVEGCSA-N 0 0 282.314 4.825 10 0 CJAERN C[C@@H](O)c1c(F)cccc1Oc1ccc2ccccc2c1 ZINC000035632377 172315115 /nfs/dbraw/zinc/31/51/15/172315115.db2.gz WZPQEDKNWWMZMD-GFCCVEGCSA-N 0 0 282.314 4.825 10 0 CJAERN C[C@H](O)c1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000035632378 172314898 /nfs/dbraw/zinc/31/48/98/172314898.db2.gz ABIAYLLSGGUCED-ZDUSSCGKSA-N 0 0 264.324 4.685 10 0 CJAERN C[C@@H](O)c1ccc(Oc2ccc3ccccc3c2)c(F)c1 ZINC000035632381 172315069 /nfs/dbraw/zinc/31/50/69/172315069.db2.gz RTVCHPSUZAAONM-GFCCVEGCSA-N 0 0 282.314 4.825 10 0 CJAERN C[C@@H](O)c1cc(F)ccc1Oc1ccc2ccccc2c1 ZINC000035632383 172314801 /nfs/dbraw/zinc/31/48/01/172314801.db2.gz WHHUBEFSXPYXTF-GFCCVEGCSA-N 0 0 282.314 4.825 10 0 CJAERN Cc1cc(Cl)ccc1Oc1cccc(F)c1[C@@H](C)O ZINC000035632384 172315066 /nfs/dbraw/zinc/31/50/66/172315066.db2.gz KXJPAFHLHCDVMG-SNVBAGLBSA-N 0 0 280.726 4.633 10 0 CJAERN Cc1cc(Cl)ccc1Oc1ccc([C@H](C)O)cc1F ZINC000035632389 172315045 /nfs/dbraw/zinc/31/50/45/172315045.db2.gz QDYNHOCRTDRPIZ-JTQLQIEISA-N 0 0 280.726 4.633 10 0 CJAERN Cc1cc(Cl)ccc1Oc1ccc(F)cc1[C@@H](C)O ZINC000035632392 172314868 /nfs/dbraw/zinc/31/48/68/172314868.db2.gz CXZNNLBZUMXKPQ-SNVBAGLBSA-N 0 0 280.726 4.633 10 0 CJAERN Cc1cc(Cl)ccc1Oc1ccc(F)cc1[C@H](C)O ZINC000035632393 172314955 /nfs/dbraw/zinc/31/49/55/172314955.db2.gz CXZNNLBZUMXKPQ-JTQLQIEISA-N 0 0 280.726 4.633 10 0 CJAERN CC(C)c1ccccc1Oc1cccc(F)c1[C@@H](C)O ZINC000035632396 172314796 /nfs/dbraw/zinc/31/47/96/172314796.db2.gz NPPYHFIYIBKJNG-GFCCVEGCSA-N 0 0 274.335 4.795 10 0 CJAERN CC(C)c1ccccc1Oc1ccc([C@H](C)O)cc1 ZINC000035632399 172315110 /nfs/dbraw/zinc/31/51/10/172315110.db2.gz WNUUAXDHLZYCHP-ZDUSSCGKSA-N 0 0 256.345 4.656 10 0 CJAERN CC(C)c1ccccc1Oc1ccc([C@@H](C)O)cc1F ZINC000035632400 172314980 /nfs/dbraw/zinc/31/49/80/172314980.db2.gz LNNKQKUVZLXVQR-GFCCVEGCSA-N 0 0 274.335 4.795 10 0 CJAERN CC(C)c1ccccc1Oc1ccc(F)cc1[C@@H](C)O ZINC000035632402 172314859 /nfs/dbraw/zinc/31/48/59/172314859.db2.gz VBGBPBYKSFNKSA-GFCCVEGCSA-N 0 0 274.335 4.795 10 0 CJAERN Cc1cc(C)c(C)c(Oc2cccc(F)c2[C@@H](C)O)c1 ZINC000035632474 172315034 /nfs/dbraw/zinc/31/50/34/172315034.db2.gz RLGUHOQFSPEEHX-CYBMUJFWSA-N 0 0 274.335 4.597 10 0 CJAERN Cc1cc(C)c(C)c(Oc2ccc([C@@H](C)O)cc2F)c1 ZINC000035632478 172314726 /nfs/dbraw/zinc/31/47/26/172314726.db2.gz TVOAQKGURMXTBT-CYBMUJFWSA-N 0 0 274.335 4.597 10 0 CJAERN Cc1cc(C)c(C)c(Oc2ccc(F)cc2[C@@H](C)O)c1 ZINC000035632480 172315022 /nfs/dbraw/zinc/31/50/22/172315022.db2.gz HKUJSQZUOWVQNW-CYBMUJFWSA-N 0 0 274.335 4.597 10 0 CJAERN Cc1ccc(C)c(Oc2cccc(F)c2[C@@H](C)O)c1C ZINC000035632532 172315809 /nfs/dbraw/zinc/31/58/09/172315809.db2.gz WLKNDMQRAIVCMU-CYBMUJFWSA-N 0 0 274.335 4.597 10 0 CJAERN Cc1ccc(C)c(Oc2ccc([C@@H](C)O)cc2F)c1C ZINC000035632536 172315688 /nfs/dbraw/zinc/31/56/88/172315688.db2.gz GZFDJGBTVXQLKI-CYBMUJFWSA-N 0 0 274.335 4.597 10 0 CJAERN Cc1ccc(C)c(Oc2ccc(F)cc2[C@@H](C)O)c1C ZINC000035632538 172315730 /nfs/dbraw/zinc/31/57/30/172315730.db2.gz AKIXXLYRWQPISS-CYBMUJFWSA-N 0 0 274.335 4.597 10 0 CJAERN C[C@@H](O)c1c(F)cccc1Oc1cccc(C(C)(C)C)c1 ZINC000035632541 172315741 /nfs/dbraw/zinc/31/57/41/172315741.db2.gz SKZUHQDBQCGDIM-GFCCVEGCSA-N 0 0 288.362 4.969 10 0 CJAERN C[C@H](O)c1ccc(Oc2cccc(C(C)(C)C)c2)cc1 ZINC000035632542 172315467 /nfs/dbraw/zinc/31/54/67/172315467.db2.gz PWOGGRSPFIHTMB-ZDUSSCGKSA-N 0 0 270.372 4.830 10 0 CJAERN C[C@@H](O)c1ccc(Oc2cccc(C(C)(C)C)c2)c(F)c1 ZINC000035632545 172315344 /nfs/dbraw/zinc/31/53/44/172315344.db2.gz HJVBBHFCMSVBBE-GFCCVEGCSA-N 0 0 288.362 4.969 10 0 CJAERN C[C@@H](O)c1cc(F)ccc1Oc1cccc(C(C)(C)C)c1 ZINC000035632548 172315483 /nfs/dbraw/zinc/31/54/83/172315483.db2.gz HLVCDKCQISHHRQ-GFCCVEGCSA-N 0 0 288.362 4.969 10 0 CJAERN Cc1ccc(Cl)c(Oc2cccc(F)c2[C@@H](C)O)c1 ZINC000035632584 172315636 /nfs/dbraw/zinc/31/56/36/172315636.db2.gz NJJYQJWWEGZCSZ-SNVBAGLBSA-N 0 0 280.726 4.633 10 0 CJAERN Cc1ccc(Cl)c(Oc2ccc([C@H](C)O)cc2F)c1 ZINC000035632592 172315682 /nfs/dbraw/zinc/31/56/82/172315682.db2.gz VSFDIJRDWMUBLQ-JTQLQIEISA-N 0 0 280.726 4.633 10 0 CJAERN Cc1ccc(Cl)c(Oc2ccc(F)cc2[C@@H](C)O)c1 ZINC000035632598 172315420 /nfs/dbraw/zinc/31/54/20/172315420.db2.gz YSDRTTVLANHYFF-SNVBAGLBSA-N 0 0 280.726 4.633 10 0 CJAERN Cc1cc(Oc2cccc(F)c2[C@@H](C)O)cc(C)c1Cl ZINC000035632601 172315310 /nfs/dbraw/zinc/31/53/10/172315310.db2.gz GFFRHGIQXKNTMO-LLVKDONJSA-N 0 0 294.753 4.942 10 0 CJAERN Cc1cc(Oc2ccc([C@@H](C)O)cc2)cc(C)c1Cl ZINC000035632603 172315223 /nfs/dbraw/zinc/31/52/23/172315223.db2.gz JOPPGKOERADZFK-GFCCVEGCSA-N 0 0 276.763 4.802 10 0 CJAERN Cc1cc(Oc2ccc([C@H](C)O)cc2)cc(C)c1Cl ZINC000035632604 172315820 /nfs/dbraw/zinc/31/58/20/172315820.db2.gz JOPPGKOERADZFK-LBPRGKRZSA-N 0 0 276.763 4.802 10 0 CJAERN Cc1cc(Oc2ccc([C@H](C)O)cc2F)cc(C)c1Cl ZINC000035632606 172315630 /nfs/dbraw/zinc/31/56/30/172315630.db2.gz PLRZILWJSDSYSK-NSHDSACASA-N 0 0 294.753 4.942 10 0 CJAERN Cc1cc(Oc2ccc(F)cc2[C@@H](C)O)cc(C)c1Cl ZINC000035632607 172315756 /nfs/dbraw/zinc/31/57/56/172315756.db2.gz HPVUCBLTVNRGMY-LLVKDONJSA-N 0 0 294.753 4.942 10 0 CJAERN CCc1cc(Oc2cccc(F)c2[C@@H](C)O)ccc1Cl ZINC000035632609 172315723 /nfs/dbraw/zinc/31/57/23/172315723.db2.gz GEJWWAUSGUVONV-SNVBAGLBSA-N 0 0 294.753 4.887 10 0 CJAERN CCc1cc(Oc2ccc([C@H](C)O)cc2)ccc1Cl ZINC000035632614 172315626 /nfs/dbraw/zinc/31/56/26/172315626.db2.gz YMXBLYIEOQMQMG-NSHDSACASA-N 0 0 276.763 4.748 10 0 CJAERN CCc1cc(Oc2ccc([C@@H](C)O)cc2F)ccc1Cl ZINC000035632616 172315759 /nfs/dbraw/zinc/31/57/59/172315759.db2.gz LFLMPRPNADCESC-SNVBAGLBSA-N 0 0 294.753 4.887 10 0 CJAERN CCc1cc(Oc2ccc(F)cc2[C@@H](C)O)ccc1Cl ZINC000035632620 172315679 /nfs/dbraw/zinc/31/56/79/172315679.db2.gz GCWSIDVYIXZKQF-SNVBAGLBSA-N 0 0 294.753 4.887 10 0 CJAERN OC1CCC(/C(=C/c2ccccn2)C2CCCCC2)CC1 ZINC000035643634 172321263 /nfs/dbraw/zinc/32/12/63/172321263.db2.gz YIGXAELTRGXHLY-XMHGGMMESA-N 0 0 285.431 4.596 10 0 in-vitro CJAERN Cc1c(N)cccc1CSc1ccc(Cl)cc1 ZINC000035649506 172325912 /nfs/dbraw/zinc/32/59/12/172325912.db2.gz DJNXTYDAAZIOOP-UHFFFAOYSA-N 0 0 263.793 4.523 10 0 CJAERN Cc1c(N)cccc1CSc1ccccc1Cl ZINC000035649518 172326086 /nfs/dbraw/zinc/32/60/86/172326086.db2.gz JZHQARMGQPBZAO-UHFFFAOYSA-N 0 0 263.793 4.523 10 0 CJAERN CC(C)(C)CC(C)(C)c1ccc(OCCCCO)cc1 ZINC000035650209 172326155 /nfs/dbraw/zinc/32/61/55/172326155.db2.gz UGFYLYJDGQTZSR-UHFFFAOYSA-N 0 0 278.436 4.552 10 0 CJAERN C[C@H](O)c1ccccc1Oc1cccc(Cl)c1Cl ZINC000035650597 172326472 /nfs/dbraw/zinc/32/64/72/172326472.db2.gz COKWHQJPEOWMDR-VIFPVBQESA-N 0 0 283.154 4.839 10 0 CJAERN C[C@@H](O)c1ccccc1Oc1cccc(Cl)c1Cl ZINC000035650598 172326847 /nfs/dbraw/zinc/32/68/47/172326847.db2.gz COKWHQJPEOWMDR-SECBINFHSA-N 0 0 283.154 4.839 10 0 CJAERN C[C@H](O)c1ccccc1Oc1ccccc1C(F)(F)F ZINC000035650621 172326542 /nfs/dbraw/zinc/32/65/42/172326542.db2.gz HGKIYJQLJGIMIF-JTQLQIEISA-N 0 0 282.261 4.551 10 0 CJAERN Cc1cc(Cl)cc(C)c1Oc1ccccc1[C@H](C)O ZINC000035650630 172326944 /nfs/dbraw/zinc/32/69/44/172326944.db2.gz RDFOHGSGMHGERZ-LBPRGKRZSA-N 0 0 276.763 4.802 10 0 CJAERN C[C@H](O)c1ccccc1Oc1ccccc1C(C)(C)C ZINC000035650635 172326808 /nfs/dbraw/zinc/32/68/08/172326808.db2.gz ZYWVWGKTOBXNON-ZDUSSCGKSA-N 0 0 270.372 4.830 10 0 CJAERN C[C@H](O)c1ccccc1Oc1cc(Cl)ccc1Cl ZINC000035650639 172326675 /nfs/dbraw/zinc/32/66/75/172326675.db2.gz KZDGMKROUUPGLI-VIFPVBQESA-N 0 0 283.154 4.839 10 0 CJAERN C[C@@H](O)c1ccccc1Oc1cc(Cl)ccc1Cl ZINC000035650640 172327022 /nfs/dbraw/zinc/32/70/22/172327022.db2.gz KZDGMKROUUPGLI-SECBINFHSA-N 0 0 283.154 4.839 10 0 CJAERN CC(C)c1ccc(Oc2ccccc2[C@@H](C)O)cc1 ZINC000035650645 172326655 /nfs/dbraw/zinc/32/66/55/172326655.db2.gz NQVCRDQLNGOPDE-CYBMUJFWSA-N 0 0 256.345 4.656 10 0 CJAERN CC(C)c1ccc(Oc2ccccc2[C@H](C)O)cc1 ZINC000035650646 172326558 /nfs/dbraw/zinc/32/65/58/172326558.db2.gz NQVCRDQLNGOPDE-ZDUSSCGKSA-N 0 0 256.345 4.656 10 0 CJAERN CC(C)c1cccc(Oc2ccccc2[C@H](C)O)c1 ZINC000035650650 172326452 /nfs/dbraw/zinc/32/64/52/172326452.db2.gz IJYRDLJEJKSCFK-ZDUSSCGKSA-N 0 0 256.345 4.656 10 0 CJAERN Cc1ccc(C(C)C)c(Oc2ccccc2[C@H](C)O)c1 ZINC000035650662 172327001 /nfs/dbraw/zinc/32/70/01/172327001.db2.gz JSFCFFOSPINMIH-AWEZNQCLSA-N 0 0 270.372 4.964 10 0 CJAERN Cc1cc(Oc2ccccc2[C@H](C)O)ccc1C(C)C ZINC000035650664 172326618 /nfs/dbraw/zinc/32/66/18/172326618.db2.gz NZGOKBNIDUSKLF-AWEZNQCLSA-N 0 0 270.372 4.964 10 0 CJAERN C[C@H](O)c1ccccc1Oc1ccc(C(C)(C)C)cc1 ZINC000035650665 172327077 /nfs/dbraw/zinc/32/70/77/172327077.db2.gz FTOCLPXWTDTRQE-ZDUSSCGKSA-N 0 0 270.372 4.830 10 0 CJAERN C[C@H](O)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000035650695 172326907 /nfs/dbraw/zinc/32/69/07/172326907.db2.gz IPJMMCWUUJPAKW-VIFPVBQESA-N 0 0 283.154 4.839 10 0 CJAERN C[C@@H](O)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000035650696 172326711 /nfs/dbraw/zinc/32/67/11/172326711.db2.gz IPJMMCWUUJPAKW-SECBINFHSA-N 0 0 283.154 4.839 10 0 CJAERN C[C@H](O)c1ccccc1Oc1cccc2ccccc21 ZINC000035650701 172326923 /nfs/dbraw/zinc/32/69/23/172326923.db2.gz WGQZUYGRLFEMMA-ZDUSSCGKSA-N 0 0 264.324 4.685 10 0 CJAERN C[C@H](O)c1ccccc1Oc1ccc2ccccc2c1 ZINC000035650707 172326812 /nfs/dbraw/zinc/32/68/12/172326812.db2.gz ZLNPQDOELOELLM-ZDUSSCGKSA-N 0 0 264.324 4.685 10 0 CJAERN CC(C)c1ccccc1Oc1ccccc1[C@@H](C)O ZINC000035650713 172327050 /nfs/dbraw/zinc/32/70/50/172327050.db2.gz FVPPTHHTBQXYSP-CYBMUJFWSA-N 0 0 256.345 4.656 10 0 CJAERN C[C@H](O)c1ccccc1Oc1cccc(C(C)(C)C)c1 ZINC000035650747 172326592 /nfs/dbraw/zinc/32/65/92/172326592.db2.gz TZPYOXRHRURQBQ-ZDUSSCGKSA-N 0 0 270.372 4.830 10 0 CJAERN Cc1cc(Oc2ccccc2[C@@H](C)O)cc(C)c1Cl ZINC000035650761 172326968 /nfs/dbraw/zinc/32/69/68/172326968.db2.gz JAQHEEHLYJJLJI-GFCCVEGCSA-N 0 0 276.763 4.802 10 0 CJAERN Cc1cc(Oc2ccccc2[C@H](C)O)cc(C)c1Cl ZINC000035650762 172326622 /nfs/dbraw/zinc/32/66/22/172326622.db2.gz JAQHEEHLYJJLJI-LBPRGKRZSA-N 0 0 276.763 4.802 10 0 CJAERN CCc1cc(Oc2ccccc2[C@@H](C)O)ccc1Cl ZINC000035650763 172327024 /nfs/dbraw/zinc/32/70/24/172327024.db2.gz HRKZPWZYRBBKSQ-LLVKDONJSA-N 0 0 276.763 4.748 10 0 CJAERN FC(F)(F)c1ccc(Cl)c(NC2CCSCC2)c1 ZINC000035651877 172328168 /nfs/dbraw/zinc/32/81/68/172328168.db2.gz QPGBSFVVKHAJKF-UHFFFAOYSA-N 0 0 295.757 4.666 10 0 CJAERN Clc1cc(Cl)c(NC2CCSCC2)cc1Cl ZINC000035651903 172328116 /nfs/dbraw/zinc/32/81/16/172328116.db2.gz NOLDWJPIFBLQCH-UHFFFAOYSA-N 0 0 296.650 4.954 10 0 CJAERN FC(F)(F)c1cc(Cl)ccc1NC1CCSCC1 ZINC000035651918 172328068 /nfs/dbraw/zinc/32/80/68/172328068.db2.gz FWOURYQFDUSQOQ-UHFFFAOYSA-N 0 0 295.757 4.666 10 0 CJAERN CCCCCc1ccc(NC2CCSCC2)cc1 ZINC000035651994 172328362 /nfs/dbraw/zinc/32/83/62/172328362.db2.gz UMRNZXGSNRLJOR-UHFFFAOYSA-N 0 0 263.450 4.727 10 0 CJAERN FC(F)(F)c1cccc(Cl)c1NC1CCSCC1 ZINC000035652016 172328690 /nfs/dbraw/zinc/32/86/90/172328690.db2.gz DOTNQBREPKFEPD-UHFFFAOYSA-N 0 0 295.757 4.666 10 0 CJAERN Clc1cc(Cl)c(NC2CCSCC2)c(Cl)c1 ZINC000035652027 172328995 /nfs/dbraw/zinc/32/89/95/172328995.db2.gz WCFUKWNBBPRWHG-UHFFFAOYSA-N 0 0 296.650 4.954 10 0 CJAERN FC(F)(F)c1cc(NC2CCSCC2)ccc1Cl ZINC000035652030 172329176 /nfs/dbraw/zinc/32/91/76/172329176.db2.gz TVRAEPRNKPAPDT-UHFFFAOYSA-N 0 0 295.757 4.666 10 0 CJAERN Clc1ccc(Cl)c(NC2Cc3ccccc3C2)c1 ZINC000035657832 172332631 /nfs/dbraw/zinc/33/26/31/172332631.db2.gz KPGDDPGGAAUPKN-UHFFFAOYSA-N 0 0 278.182 4.573 10 0 CJAERN Clc1ccc(NC2Cc3ccccc3C2)c(Cl)c1 ZINC000035657853 172332326 /nfs/dbraw/zinc/33/23/26/172332326.db2.gz IEYQUXZASZADRA-UHFFFAOYSA-N 0 0 278.182 4.573 10 0 CJAERN Clc1cc(Cl)cc(NC2Cc3ccccc3C2)c1 ZINC000035657878 172332537 /nfs/dbraw/zinc/33/25/37/172332537.db2.gz GILDJNXEGFLROK-UHFFFAOYSA-N 0 0 278.182 4.573 10 0 CJAERN Clc1ccc(NC2Cc3ccccc3C2)cc1Cl ZINC000035657888 172332133 /nfs/dbraw/zinc/33/21/33/172332133.db2.gz JVIVFVFNKOPLKO-UHFFFAOYSA-N 0 0 278.182 4.573 10 0 CJAERN Clc1cccc(NC2Cc3ccccc3C2)c1Cl ZINC000035658099 172333072 /nfs/dbraw/zinc/33/30/72/172333072.db2.gz MLYRBPNDQDHSDV-UHFFFAOYSA-N 0 0 278.182 4.573 10 0 CJAERN Cc1sc2nc(-c3cccc(F)c3)nc(Cl)c2c1C ZINC000035660465 172336978 /nfs/dbraw/zinc/33/69/78/172336978.db2.gz FKHNAKCPJMUAQB-UHFFFAOYSA-N 0 0 292.766 4.768 10 0 CJAERN Cc1cccc(COc2c(Cl)cc(Cl)cc2C=O)c1 ZINC000035662224 172340624 /nfs/dbraw/zinc/34/06/24/172340624.db2.gz MHWGROVEGSDADN-UHFFFAOYSA-N 0 0 295.165 4.693 10 0 CJAERN CCCCCCOc1c(Cl)cc(Cl)cc1C=O ZINC000035662255 172340664 /nfs/dbraw/zinc/34/06/64/172340664.db2.gz KIYQEQGIHOCVLM-UHFFFAOYSA-N 0 0 275.175 4.765 10 0 CJAERN O=Cc1cc(Cl)cc(Cl)c1OC1CCCCC1 ZINC000035662376 172340685 /nfs/dbraw/zinc/34/06/85/172340685.db2.gz WHZJDMBKBHNTJF-UHFFFAOYSA-N 0 0 273.159 4.517 10 0 CJAERN Nc1ccc(Sc2ccc3ccccc3c2)cc1 ZINC000035676431 172347553 /nfs/dbraw/zinc/34/75/53/172347553.db2.gz LCAVSQBFSWAFEI-UHFFFAOYSA-N 0 0 251.354 4.573 10 0 CJAERN Nc1ccccc1Sc1ccc2ccccc2c1 ZINC000035676435 172347245 /nfs/dbraw/zinc/34/72/45/172347245.db2.gz YTRKJTLPWRRULQ-UHFFFAOYSA-N 0 0 251.354 4.573 10 0 CJAERN c1cc2c(ccnc2NC2CCCCCCC2)s1 ZINC000035687706 172355960 /nfs/dbraw/zinc/35/59/60/172355960.db2.gz HELRMYZFALVRMC-UHFFFAOYSA-N 0 0 260.406 4.821 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2nccc3sccc32)[C@@H]1C ZINC000035687720 172355783 /nfs/dbraw/zinc/35/57/83/172355783.db2.gz CUTZBXDCAIYUIT-WZRBSPASSA-N 0 0 260.406 4.533 10 0 CJAERN C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1nccc2sccc21 ZINC000035687721 172356028 /nfs/dbraw/zinc/35/60/28/172356028.db2.gz CUTZBXDCAIYUIT-LOWVWBTDSA-N 0 0 260.406 4.533 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2nccc3sccc32)[C@@H]1C ZINC000035687722 172355812 /nfs/dbraw/zinc/35/58/12/172355812.db2.gz CUTZBXDCAIYUIT-NQBHXWOUSA-N 0 0 260.406 4.533 10 0 CJAERN C[C@H]1[C@H](Nc2nccc3sccc32)CCC[C@@H]1C ZINC000035687723 172355886 /nfs/dbraw/zinc/35/58/86/172355886.db2.gz CUTZBXDCAIYUIT-DMDPSCGWSA-N 0 0 260.406 4.533 10 0 CJAERN Fc1ccc(Nc2nccc3sccc32)cc1Cl ZINC000035687749 172355710 /nfs/dbraw/zinc/35/57/10/172355710.db2.gz BFZVAWAVMRUPMM-UHFFFAOYSA-N 0 0 278.739 4.832 10 0 CJAERN C[C@H](Nc1nc2cc(Cl)ccc2s1)c1cccnc1 ZINC000035692442 172361696 /nfs/dbraw/zinc/36/16/96/172361696.db2.gz QNKFXWSSZDFZIG-VIFPVBQESA-N 0 0 289.791 4.518 10 0 CJAERN C[C@@H](Nc1nc2cc(Cl)ccc2s1)c1cccnc1 ZINC000035692444 172361580 /nfs/dbraw/zinc/36/15/80/172361580.db2.gz QNKFXWSSZDFZIG-SECBINFHSA-N 0 0 289.791 4.518 10 0 CJAERN Clc1ccnc2c(Cl)cc(Cl)c(Cl)c12 ZINC000035731073 172381544 /nfs/dbraw/zinc/38/15/44/172381544.db2.gz KJBBQEFKNXWHJJ-UHFFFAOYSA-N 0 0 266.942 4.848 10 0 CJAERN Cc1ccc(Oc2ccc3nccc(Cl)c3c2)cc1 ZINC000035731091 172381647 /nfs/dbraw/zinc/38/16/47/172381647.db2.gz HBAUKSZCFAOFPY-UHFFFAOYSA-N 0 0 269.731 4.989 10 0 CJAERN Cc1ccc(Oc2cccc3c(Cl)ccnc23)cc1 ZINC000035731092 172381247 /nfs/dbraw/zinc/38/12/47/172381247.db2.gz JINFJSJMRLVYAZ-UHFFFAOYSA-N 0 0 269.731 4.989 10 0 CJAERN C[C@H](Nc1nccc2sccc21)c1cccs1 ZINC000035737098 172390245 /nfs/dbraw/zinc/39/02/45/172390245.db2.gz KUMUIXVTPPMQHR-VIFPVBQESA-N 0 0 260.387 4.531 10 0 CJAERN C[C@@H](Nc1nccc2sccc21)c1cccs1 ZINC000035737099 172390679 /nfs/dbraw/zinc/39/06/79/172390679.db2.gz KUMUIXVTPPMQHR-SECBINFHSA-N 0 0 260.387 4.531 10 0 CJAERN C[C@H](Nc1nc2cc(F)ccc2s1)c1cccs1 ZINC000035737226 172390603 /nfs/dbraw/zinc/39/06/03/172390603.db2.gz SHVFSOZKEMYJCR-QMMMGPOBSA-N 0 0 278.377 4.670 10 0 CJAERN C[C@@H](Nc1nc2cc(F)ccc2s1)c1cccs1 ZINC000035737227 172390688 /nfs/dbraw/zinc/39/06/88/172390688.db2.gz SHVFSOZKEMYJCR-MRVPVSSYSA-N 0 0 278.377 4.670 10 0 CJAERN Cc1ccc2sc(N[C@@H](C)c3cccs3)nc2c1 ZINC000035737228 172390634 /nfs/dbraw/zinc/39/06/34/172390634.db2.gz HSNKUTWIKAUDPD-JTQLQIEISA-N 0 0 274.414 4.839 10 0 CJAERN Cc1ccc2sc(N[C@H](C)c3cccs3)nc2c1 ZINC000035737229 172390267 /nfs/dbraw/zinc/39/02/67/172390267.db2.gz HSNKUTWIKAUDPD-SNVBAGLBSA-N 0 0 274.414 4.839 10 0 CJAERN C[C@H](Nc1nc2cccc(Cl)c2s1)c1ccco1 ZINC000035739630 172394202 /nfs/dbraw/zinc/39/42/02/172394202.db2.gz UYXLCXKWTGXUHX-QMMMGPOBSA-N 0 0 278.764 4.716 10 0 CJAERN C[C@@H](Nc1nc2cccc(Cl)c2s1)c1ccco1 ZINC000035739631 172394077 /nfs/dbraw/zinc/39/40/77/172394077.db2.gz UYXLCXKWTGXUHX-MRVPVSSYSA-N 0 0 278.764 4.716 10 0 CJAERN C[C@H](Nc1nc2cc(Cl)ccc2s1)c1ccco1 ZINC000035739638 172394204 /nfs/dbraw/zinc/39/42/04/172394204.db2.gz XQUJNWAIBCYMBA-QMMMGPOBSA-N 0 0 278.764 4.716 10 0 CJAERN C[C@@H](Nc1nc2cc(Cl)ccc2s1)c1ccco1 ZINC000035739639 172394146 /nfs/dbraw/zinc/39/41/46/172394146.db2.gz XQUJNWAIBCYMBA-MRVPVSSYSA-N 0 0 278.764 4.716 10 0 CJAERN C[C@@H](Nc1cccnc1)c1c(Cl)ccc(F)c1Cl ZINC000035789874 172418615 /nfs/dbraw/zinc/41/86/15/172418615.db2.gz YARMLSYWFYEMAK-MRVPVSSYSA-N 0 0 285.149 4.701 10 0 CJAERN C[C@H](NCc1ccccc1)c1c(Cl)ccc(F)c1Cl ZINC000035789892 330251269 /nfs/dbraw/zinc/25/12/69/330251269.db2.gz DQGLPXVUTKZDSG-JTQLQIEISA-N 0 0 298.188 4.983 10 0 CJAERN C[C@@H](NCc1ccccc1)c1c(Cl)ccc(F)c1Cl ZINC000035789896 330251321 /nfs/dbraw/zinc/25/13/21/330251321.db2.gz DQGLPXVUTKZDSG-SNVBAGLBSA-N 0 0 298.188 4.983 10 0 CJAERN CCCCc1nc2sc3c(c2c(Cl)n1)CCCC3 ZINC000035847963 172424048 /nfs/dbraw/zinc/42/40/48/172424048.db2.gz QHECKVVMXVSWGW-UHFFFAOYSA-N 0 0 280.824 4.566 10 0 CJAERN CC(C)(C)OC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000035856382 172424028 /nfs/dbraw/zinc/42/40/28/172424028.db2.gz WIURVMHVEPTKHB-UHFFFAOYSA-N 0 0 281.440 4.889 10 0 CJAERN C[C@H]1CC[C@@H](Nc2nc3ccccc3[nH]2)c2ccccc21 ZINC000035905364 172424475 /nfs/dbraw/zinc/42/44/75/172424475.db2.gz AFQJPONMXLXQKC-SWLSCSKDSA-N 0 0 277.371 4.613 10 0 CJAERN c1c(CCCCOCc2ccccc2)[nH]c2ccccc12 ZINC000035963761 172426164 /nfs/dbraw/zinc/42/61/64/172426164.db2.gz DHEABPOFBWQDBI-UHFFFAOYSA-N 0 0 279.383 4.707 10 0 CJAERN CCOc1ccc2nc(-c3ccccc3)cc(Cl)c2c1 ZINC000036075408 172431827 /nfs/dbraw/zinc/43/18/27/172431827.db2.gz MVYUKOCECHDADL-UHFFFAOYSA-N 0 0 283.758 4.954 10 0 CJAERN Fc1cc(F)c2c(Cl)cc(-c3ccccc3)nc2c1 ZINC000036075677 172431411 /nfs/dbraw/zinc/43/14/11/172431411.db2.gz UZWORYLJDZPDFO-UHFFFAOYSA-N 0 0 275.685 4.833 10 0 CJAERN CCCc1cc(Cl)c2cccc(OC(F)(F)F)c2n1 ZINC000036075715 172431797 /nfs/dbraw/zinc/43/17/97/172431797.db2.gz BFMQGUIUPSNNIX-UHFFFAOYSA-N 0 0 289.684 4.739 10 0 CJAERN CCCc1cc(Cl)c2ccc(Br)c(C)c2n1 ZINC000036075734 172431601 /nfs/dbraw/zinc/43/16/01/172431601.db2.gz COSPGAOVJFFOTP-UHFFFAOYSA-N 0 0 298.611 4.912 10 0 CJAERN CCCc1cc(Cl)c2cc(C)cc(Br)c2n1 ZINC000036075742 172431530 /nfs/dbraw/zinc/43/15/30/172431530.db2.gz IPNLJAZJDJTDGM-UHFFFAOYSA-N 0 0 298.611 4.912 10 0 CJAERN COc1c(-c2ccccc2)cc(N)cc1-c1ccccc1 ZINC000036138890 172462643 /nfs/dbraw/zinc/46/26/43/172462643.db2.gz JCXHSUMMXWSAHI-UHFFFAOYSA-N 0 0 275.351 4.611 10 0 CJAERN CCCSCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000036192521 172503824 /nfs/dbraw/zinc/50/38/24/172503824.db2.gz QJDOBUSMVQWTHA-UHFFFAOYSA-N 0 0 270.397 4.680 10 0 CJAERN Cc1cc(C)c(C(=O)CSC2CCCCC2)c(C)c1 ZINC000036193622 172505439 /nfs/dbraw/zinc/50/54/39/172505439.db2.gz INZVNJMOBLXNEX-UHFFFAOYSA-N 0 0 276.445 4.860 10 0 CJAERN CCCCN(CC)c1nc(Cl)nc2sc(CC)cc21 ZINC000036276840 172567633 /nfs/dbraw/zinc/56/76/33/172567633.db2.gz AROCATXTZPGVDV-UHFFFAOYSA-N 0 0 297.855 4.534 10 0 CJAERN Cc1cc2c(nc(Cl)nc2Nc2cccc(C)c2)s1 ZINC000036277209 172568733 /nfs/dbraw/zinc/56/87/33/172568733.db2.gz PSQHKXCHZWPIKQ-UHFFFAOYSA-N 0 0 289.791 4.705 10 0 CJAERN Cc1cc2c(nc(Cl)nc2Nc2ccc(C)cc2)s1 ZINC000036277223 172568472 /nfs/dbraw/zinc/56/84/72/172568472.db2.gz SLQRDDYDOOVWPG-UHFFFAOYSA-N 0 0 289.791 4.705 10 0 CJAERN Clc1nc2sccc2c(Nc2ccccc2Cl)n1 ZINC000036277401 172568897 /nfs/dbraw/zinc/56/88/97/172568897.db2.gz MITCIQIFKALOIJ-UHFFFAOYSA-N 0 0 296.182 4.742 10 0 CJAERN Cc1ccc(Nc2nc(Cl)nc3sccc32)c(C)c1 ZINC000036277451 172568626 /nfs/dbraw/zinc/56/86/26/172568626.db2.gz WYEDUTYQIPVTDE-UHFFFAOYSA-N 0 0 289.791 4.705 10 0 CJAERN Cc1cc(C)cc(Nc2nc(Cl)nc3sccc32)c1 ZINC000036277453 172568836 /nfs/dbraw/zinc/56/88/36/172568836.db2.gz JCAIAVHSPIAOLU-UHFFFAOYSA-N 0 0 289.791 4.705 10 0 CJAERN Clc1ccc(Nc2nc(Cl)nc3sccc32)cc1 ZINC000036277493 172568934 /nfs/dbraw/zinc/56/89/34/172568934.db2.gz RRASLNYFZGDDIF-UHFFFAOYSA-N 0 0 296.182 4.742 10 0 CJAERN Cc1cc(C)c(C)c(OCC(=O)c2ccc(Cl)s2)c1 ZINC000036324595 172609149 /nfs/dbraw/zinc/60/91/49/172609149.db2.gz BCSNEGGOLXPKJU-UHFFFAOYSA-N 0 0 294.803 4.588 10 0 CJAERN O=C(CCc1cccc2ccccc21)c1ccccc1 ZINC000036457602 172637339 /nfs/dbraw/zinc/63/73/39/172637339.db2.gz ZBOAAXGNGPABFW-UHFFFAOYSA-N 0 0 260.336 4.655 10 0 CJAERN CC(C)c1cccc2sc(NC(=O)C3CCCC3)nc21 ZINC000036661464 172645802 /nfs/dbraw/zinc/64/58/02/172645802.db2.gz YKXPTBYBDZRCCA-UHFFFAOYSA-N 0 0 288.416 4.548 10 0 CJAERN CC(=O)c1ccc(-c2cc(Cl)ccc2Cl)s1 ZINC000036666700 172646011 /nfs/dbraw/zinc/64/60/11/172646011.db2.gz PMMWZTQDVIONQB-UHFFFAOYSA-N 0 0 271.168 4.925 10 0 CJAERN CCCCc1ccc(-c2ccc(C(C)=O)s2)cc1 ZINC000036666873 172646534 /nfs/dbraw/zinc/64/65/34/172646534.db2.gz KVKSEZAYZYZKBB-UHFFFAOYSA-N 0 0 258.386 4.960 10 0 CJAERN CC(=O)c1ccccc1Oc1cc(C)ccc1Cl ZINC000036668709 172647464 /nfs/dbraw/zinc/64/74/64/172647464.db2.gz PACXBLVBFNGLGZ-UHFFFAOYSA-N 0 0 260.720 4.643 10 0 CJAERN O=C(CCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000036683692 172654031 /nfs/dbraw/zinc/65/40/31/172654031.db2.gz CMBSTZZWCGNIQK-UHFFFAOYSA-N 0 0 279.166 4.809 10 0 CJAERN O=C(CCc1c(Cl)cccc1Cl)c1ccccc1 ZINC000036683702 172654196 /nfs/dbraw/zinc/65/41/96/172654196.db2.gz LPRLBDBWAZSKFL-UHFFFAOYSA-N 0 0 279.166 4.809 10 0 CJAERN C[C@H](Nc1cccc(N)c1)c1ccc(Cl)cc1Cl ZINC000036720300 172657281 /nfs/dbraw/zinc/65/72/81/172657281.db2.gz QFTOJPMTTUUJHR-VIFPVBQESA-N 0 0 281.186 4.749 10 0 CJAERN Nc1cc(C(F)(F)F)ccc1SC1CCCCC1 ZINC000036722563 172660026 /nfs/dbraw/zinc/66/00/26/172660026.db2.gz UEBNVQVFOPPMSL-UHFFFAOYSA-N 0 0 275.339 4.712 10 0 CJAERN Nc1cc(C(F)(F)F)ccc1SCc1cccs1 ZINC000036722602 172660131 /nfs/dbraw/zinc/66/01/31/172660131.db2.gz HYHXEYFKVDGXFT-UHFFFAOYSA-N 0 0 289.347 4.641 10 0 CJAERN CC[C@H](Nc1c(C)n[nH]c1C)c1ccc(Cl)cc1Cl ZINC000036734264 172665990 /nfs/dbraw/zinc/66/59/90/172665990.db2.gz YEIDCWJCSBVNOW-ZDUSSCGKSA-N 0 0 298.217 4.897 10 0 CJAERN CCC[C@H](Nc1c(C)n[nH]c1C)c1ccc(Cl)cc1 ZINC000036734487 172666273 /nfs/dbraw/zinc/66/62/73/172666273.db2.gz KMJVXOSFHYJFMG-AWEZNQCLSA-N 0 0 277.799 4.633 10 0 CJAERN Cc1n[nH]c(C)c1N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000036734655 172665993 /nfs/dbraw/zinc/66/59/93/172665993.db2.gz JWVDBXRJLPYLFG-SSDOTTSWSA-N 0 0 284.190 4.506 10 0 CJAERN Cc1n[nH]c(C)c1N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000036736035 172666724 /nfs/dbraw/zinc/66/67/24/172666724.db2.gz AVTYDZMIMQDKIA-ZETCQYMHSA-N 0 0 284.190 4.506 10 0 CJAERN C[C@@H](Nc1cc(Br)ccc1F)c1ccccc1 ZINC000036751387 172677809 /nfs/dbraw/zinc/67/78/09/172677809.db2.gz FOXCQZOBAZIMHX-SNVBAGLBSA-N 0 0 294.167 4.761 10 0 CJAERN Cc1cccc(CNc2cc(Br)ccc2F)c1 ZINC000036751529 172677734 /nfs/dbraw/zinc/67/77/34/172677734.db2.gz LDDOPYCPOBPPBC-UHFFFAOYSA-N 0 0 294.167 4.509 10 0 CJAERN Clc1cc(-c2ccccc2)nc(-c2cccs2)n1 ZINC000036755612 567889661 /nfs/dbraw/zinc/88/96/61/567889661.db2.gz AKZJLEUSZSROFN-UHFFFAOYSA-N 0 0 272.760 4.526 10 0 CJAERN Cc1cccc(-c2nc(Cl)cc(-c3ccccc3)n2)c1 ZINC000036755621 172679666 /nfs/dbraw/zinc/67/96/66/172679666.db2.gz ADAPKBHMDIJXAJ-UHFFFAOYSA-N 0 0 280.758 4.772 10 0 CJAERN Cc1ccc(-c2nc(Cl)cc(-c3ccccc3)n2)s1 ZINC000036755751 172679511 /nfs/dbraw/zinc/67/95/11/172679511.db2.gz CQRYSRNFRZOBIS-UHFFFAOYSA-N 0 0 286.787 4.834 10 0 CJAERN CSc1ccc(-c2nc(Cl)cc(C(C)(C)C)n2)cc1 ZINC000036755853 172679592 /nfs/dbraw/zinc/67/95/92/172679592.db2.gz BFRMCZNHVBFRDT-UHFFFAOYSA-N 0 0 292.835 4.816 10 0 CJAERN CC(C)(C)c1cc(Cl)nc(-c2ccc(Cl)s2)n1 ZINC000036755869 172679740 /nfs/dbraw/zinc/67/97/40/172679740.db2.gz PUGVPCGTOCEFLQ-UHFFFAOYSA-N 0 0 287.215 4.809 10 0 CJAERN CCc1cc(Cl)nc(-c2c(Cl)cccc2Cl)n1 ZINC000036755888 172679343 /nfs/dbraw/zinc/67/93/43/172679343.db2.gz FQGAOBXVLFXYJA-UHFFFAOYSA-N 0 0 287.577 4.666 10 0 CJAERN CCc1ccccc1NC1CC(c2ccccc2)C1 ZINC000036840435 172745908 /nfs/dbraw/zinc/74/59/08/172745908.db2.gz SCARXKWUZZZOHY-UHFFFAOYSA-N 0 0 251.373 4.607 10 0 CJAERN Fc1ccc(C2CC(Nc3ccccc3Cl)C2)cc1 ZINC000036842369 172745923 /nfs/dbraw/zinc/74/59/23/172745923.db2.gz QPOJERNCYGDZNW-UHFFFAOYSA-N 0 0 275.754 4.837 10 0 CJAERN Fc1ccccc1C1CC(Nc2ccccc2Cl)C1 ZINC000036842376 172746445 /nfs/dbraw/zinc/74/64/45/172746445.db2.gz ZDGGBQAXNNEDOE-UHFFFAOYSA-N 0 0 275.754 4.837 10 0 CJAERN Cc1ccc(NC2CC(c3ccc(C)cc3)C2)cc1 ZINC000036842898 172746954 /nfs/dbraw/zinc/74/69/54/172746954.db2.gz BOMAVRPAFIZVGD-UHFFFAOYSA-N 0 0 251.373 4.662 10 0 CJAERN Cc1ccccc1NC1CC(c2ccccc2C)C1 ZINC000036842952 172746379 /nfs/dbraw/zinc/74/63/79/172746379.db2.gz SPKCKILIUQCXBO-UHFFFAOYSA-N 0 0 251.373 4.662 10 0 CJAERN S=c1[nH]c2cc(Cl)ccc2n1CCc1ccccc1 ZINC000036889475 172783734 /nfs/dbraw/zinc/78/37/34/172783734.db2.gz DPYRNZAKMJMJJE-UHFFFAOYSA-N 0 0 288.803 4.595 10 0 CJAERN CCc1ccccc1-n1c(=S)[nH]c2cc(Cl)ccc21 ZINC000036889873 172784439 /nfs/dbraw/zinc/78/44/39/172784439.db2.gz QJMAMVMVOZHMFY-UHFFFAOYSA-N 0 0 288.803 4.904 10 0 CJAERN Cc1ccc(-n2c3ccc(Cl)cc3[nH]c2=S)cc1F ZINC000036889897 172784654 /nfs/dbraw/zinc/78/46/54/172784654.db2.gz HIVJKYTZBMVEMA-UHFFFAOYSA-N 0 0 292.766 4.789 10 0 CJAERN CCc1cccc(-n2c(=S)[nH]c3cc(Cl)ccc32)c1 ZINC000036889930 172784249 /nfs/dbraw/zinc/78/42/49/172784249.db2.gz WAMUWLUEDNRQKC-UHFFFAOYSA-N 0 0 288.803 4.904 10 0 CJAERN Fc1cc(F)cc(-n2c3ccc(Cl)cc3[nH]c2=S)c1 ZINC000036889932 172784206 /nfs/dbraw/zinc/78/42/06/172784206.db2.gz ZUSJXGBTRDHLMV-UHFFFAOYSA-N 0 0 296.729 4.620 10 0 CJAERN Cc1ccc(F)c(-n2c3ccc(Cl)cc3[nH]c2=S)c1 ZINC000036889986 172784424 /nfs/dbraw/zinc/78/44/24/172784424.db2.gz FCPLPPYSRKVLFR-UHFFFAOYSA-N 0 0 292.766 4.789 10 0 CJAERN Cc1ccc2c(c1)[nH]c(=S)n2[C@@H](C)c1ccccc1 ZINC000036891122 172784532 /nfs/dbraw/zinc/78/45/32/172784532.db2.gz NCAXSXJNRVVDGI-LBPRGKRZSA-N 0 0 268.385 4.617 10 0 CJAERN Cc1ccc2c(c1)[nH]c(=S)n2[C@H](C)c1ccccc1 ZINC000036891124 172784646 /nfs/dbraw/zinc/78/46/46/172784646.db2.gz NCAXSXJNRVVDGI-GFCCVEGCSA-N 0 0 268.385 4.617 10 0 CJAERN Cn1c2ccccc2c(Br)c1-c1ccccc1 ZINC000036893189 567889718 /nfs/dbraw/zinc/88/97/18/567889718.db2.gz SOYJVFMQOKCVQX-UHFFFAOYSA-N 0 0 286.172 4.608 10 0 CJAERN C[C@@H]1[C@@H](C)CCC[C@@H]1n1c2ccc(F)cc2[nH]c1=S ZINC000036897475 172788537 /nfs/dbraw/zinc/78/85/37/172788537.db2.gz PZZOKJUUEAUUJA-CWSCBRNRSA-N 0 0 278.396 4.835 10 0 CJAERN Fc1ccc(Cn2c(=S)[nH]c3cccc(Cl)c32)cc1 ZINC000036897498 172788517 /nfs/dbraw/zinc/78/85/17/172788517.db2.gz KGVMSMBXNUXYRJ-UHFFFAOYSA-N 0 0 292.766 4.540 10 0 CJAERN Cc1ccc2c(c1)[nH]c(=S)n2-c1ccc(C)c(Cl)c1 ZINC000036897840 172788878 /nfs/dbraw/zinc/78/88/78/172788878.db2.gz FKRSQRXOSWPTBA-UHFFFAOYSA-N 0 0 288.803 4.958 10 0 CJAERN CCc1ccc(-c2nc(-c3ccc(N)cc3)sc2C)cc1 ZINC000036912230 172799511 /nfs/dbraw/zinc/79/95/11/172799511.db2.gz PPKKBLLODBRCDY-UHFFFAOYSA-N 0 0 294.423 4.930 10 0 CJAERN Cc1cc(C)c(-c2csc(-c3ccc(N)cc3)n2)c(C)c1 ZINC000036912260 172799517 /nfs/dbraw/zinc/79/95/17/172799517.db2.gz VXMKCFIXAAQYMI-UHFFFAOYSA-N 0 0 294.423 4.985 10 0 CJAERN Nc1ccc(-c2nc(-c3ccccc3Cl)cs2)cc1 ZINC000036912268 172799700 /nfs/dbraw/zinc/79/97/00/172799700.db2.gz OUUCGAWFFJRZLQ-UHFFFAOYSA-N 0 0 286.787 4.713 10 0 CJAERN Cc1sc(-c2ccc(N)cc2)nc1-c1ccc(C)cc1 ZINC000036912273 172799780 /nfs/dbraw/zinc/79/97/80/172799780.db2.gz DVQRUSLIAGERIC-UHFFFAOYSA-N 0 0 280.396 4.676 10 0 CJAERN Nc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1 ZINC000036912288 172799556 /nfs/dbraw/zinc/79/95/56/172799556.db2.gz CYCYPKQNAXBYIN-UHFFFAOYSA-N 0 0 286.787 4.713 10 0 CJAERN Nc1cccc(-c2nc(-c3ccc(Cl)s3)cs2)c1 ZINC000036912310 172799226 /nfs/dbraw/zinc/79/92/26/172799226.db2.gz RSRURIQXXAPVDI-UHFFFAOYSA-N 0 0 292.816 4.774 10 0 CJAERN FC(F)(F)c1cc(Cl)c2ccc3c(c2n1)CCCC3 ZINC000036912906 172799286 /nfs/dbraw/zinc/79/92/86/172799286.db2.gz XSJZNXAHXKUNRB-UHFFFAOYSA-N 0 0 285.696 4.786 10 0 CJAERN Cc1ccc(C)c2c(Cl)cc(C(F)(F)F)nc12 ZINC000036913011 172799626 /nfs/dbraw/zinc/79/96/26/172799626.db2.gz SYGLXPYNUJXSHR-UHFFFAOYSA-N 0 0 259.658 4.524 10 0 CJAERN Cc1nc([C@@H](C)Nc2cccc3c2CCCC3)cs1 ZINC000036914431 330313443 /nfs/dbraw/zinc/31/34/43/330313443.db2.gz GOTNTSGHYOIIRV-LLVKDONJSA-N 0 0 272.417 4.503 10 0 CJAERN Cc1nc([C@H](C)Nc2cccc3c2CCCC3)cs1 ZINC000036914432 330313512 /nfs/dbraw/zinc/31/35/12/330313512.db2.gz GOTNTSGHYOIIRV-NSHDSACASA-N 0 0 272.417 4.503 10 0 CJAERN Cc1nc([C@@H](C)Nc2ccc(C(F)(F)F)cc2)cs1 ZINC000036914465 330313445 /nfs/dbraw/zinc/31/34/45/330313445.db2.gz FOJYIGJEMYPVEK-MRVPVSSYSA-N 0 0 286.322 4.643 10 0 CJAERN Cc1nc([C@H](C)Nc2ccc(C(F)(F)F)cc2)cs1 ZINC000036914466 330313536 /nfs/dbraw/zinc/31/35/36/330313536.db2.gz FOJYIGJEMYPVEK-QMMMGPOBSA-N 0 0 286.322 4.643 10 0 CJAERN Cc1nc([C@@H](C)N[C@@H](C)c2cccc(Cl)c2)cs1 ZINC000036915253 527032946 /nfs/dbraw/zinc/03/29/46/527032946.db2.gz RHXITTHPBFAZOU-VHSXEESVSA-N 0 0 280.824 4.517 10 0 CJAERN Cc1nc([C@H](C)N[C@@H](C)c2cccc(Cl)c2)cs1 ZINC000036915254 527065918 /nfs/dbraw/zinc/06/59/18/527065918.db2.gz RHXITTHPBFAZOU-UWVGGRQHSA-N 0 0 280.824 4.517 10 0 CJAERN CCCCC[C@@H](C)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000036918816 172804282 /nfs/dbraw/zinc/80/42/82/172804282.db2.gz YAINZNOSDHUYPA-LLVKDONJSA-N 0 0 283.799 4.507 10 0 CJAERN CCCC(CCC)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000036918941 172804326 /nfs/dbraw/zinc/80/43/26/172804326.db2.gz JDBUHMCTRIJISK-UHFFFAOYSA-N 0 0 283.799 4.507 10 0 CJAERN CCC[C@@H](C)CNc1ccc(SC(F)F)cc1 ZINC000036919373 172804374 /nfs/dbraw/zinc/80/43/74/172804374.db2.gz URHDNJGQQSNKHS-SNVBAGLBSA-N 0 0 259.365 4.849 10 0 CJAERN C[C@H]1CCCC[C@@H]1Nc1ccc(SC(F)F)cc1 ZINC000036919432 172804591 /nfs/dbraw/zinc/80/45/91/172804591.db2.gz KIYVIGAWJCBDNX-GWCFXTLKSA-N 0 0 271.376 4.992 10 0 CJAERN CC(C)C[C@@H](C)Nc1ccc(SC(F)F)cc1 ZINC000036919540 172804512 /nfs/dbraw/zinc/80/45/12/172804512.db2.gz PTZDALMVZQAVON-SNVBAGLBSA-N 0 0 259.365 4.848 10 0 CJAERN C[C@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(F)c(F)c1 ZINC000036921874 330313907 /nfs/dbraw/zinc/31/39/07/330313907.db2.gz NQHFXAGVSPYSKW-UWVGGRQHSA-N 0 0 297.295 4.655 10 0 CJAERN C[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(F)c(F)c1 ZINC000036921875 330313821 /nfs/dbraw/zinc/31/38/21/330313821.db2.gz NQHFXAGVSPYSKW-ZJUUUORDSA-N 0 0 297.295 4.655 10 0 CJAERN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1cc(F)ccc1F ZINC000036921876 330313891 /nfs/dbraw/zinc/31/38/91/330313891.db2.gz NQHFXAGVSPYSKW-VHSXEESVSA-N 0 0 297.295 4.655 10 0 CJAERN C[C@@H](N[C@H](C)c1cc(F)ccc1F)c1ccc(F)c(F)c1 ZINC000036921877 330313885 /nfs/dbraw/zinc/31/38/85/330313885.db2.gz NQHFXAGVSPYSKW-NXEZZACHSA-N 0 0 297.295 4.655 10 0 CJAERN Cc1cc(Cl)c(NC2CCCCC2)c2cccnc12 ZINC000036922715 172805797 /nfs/dbraw/zinc/80/57/97/172805797.db2.gz IITSHWGQNMPHON-UHFFFAOYSA-N 0 0 274.795 4.941 10 0 CJAERN C[C@H](Nc1c2ncsc2ccc1Cl)c1ccccn1 ZINC000036923127 172805831 /nfs/dbraw/zinc/80/58/31/172805831.db2.gz ITOOKQTTZMATHD-VIFPVBQESA-N 0 0 289.791 4.518 10 0 CJAERN Nc1cc(Cl)ccc1Sc1ccc2c(c1)CCC2 ZINC000036926402 172809368 /nfs/dbraw/zinc/80/93/68/172809368.db2.gz MLIVBRFKFRVSCQ-UHFFFAOYSA-N 0 0 275.804 4.562 10 0 CJAERN O=C(c1ccc(-c2cccc(Cl)c2)s1)C1CC1 ZINC000036927405 172809969 /nfs/dbraw/zinc/80/99/69/172809969.db2.gz WXMCQNQOYSKWHG-UHFFFAOYSA-N 0 0 262.761 4.661 10 0 CJAERN CCC(=O)c1ccc(-c2ccc(C)cc2Cl)s1 ZINC000036927437 172809768 /nfs/dbraw/zinc/80/97/68/172809768.db2.gz FCEYLNSGANBALI-UHFFFAOYSA-N 0 0 264.777 4.970 10 0 CJAERN Clc1ccccc1-c1cc2ncnc(Cl)c2s1 ZINC000036929340 172810807 /nfs/dbraw/zinc/81/08/07/172810807.db2.gz YEIUHQJLFFTCCS-UHFFFAOYSA-N 0 0 281.167 4.665 10 0 CJAERN CCCCc1noc(N)c1-c1c(Cl)cccc1Cl ZINC000036936334 172815684 /nfs/dbraw/zinc/81/56/84/172815684.db2.gz WRSZJFFGSLRCDM-UHFFFAOYSA-N 0 0 285.174 4.573 10 0 CJAERN CC(C)(C)Cc1noc(N)c1-c1c(Cl)cccc1Cl ZINC000036936338 172815761 /nfs/dbraw/zinc/81/57/61/172815761.db2.gz JPVFFVZBBUEMGV-UHFFFAOYSA-N 0 0 299.201 4.819 10 0 CJAERN COCc1ccccc1N[C@@H](C)c1cc2ccccc2o1 ZINC000036938732 330315205 /nfs/dbraw/zinc/31/52/05/330315205.db2.gz MKKROKJLHWBDAP-ZDUSSCGKSA-N 0 0 281.355 4.752 10 0 CJAERN COCc1ccccc1N[C@H](C)c1cc2ccccc2o1 ZINC000036938734 330315149 /nfs/dbraw/zinc/31/51/49/330315149.db2.gz MKKROKJLHWBDAP-CYBMUJFWSA-N 0 0 281.355 4.752 10 0 CJAERN CC(C)(C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000036941687 172818227 /nfs/dbraw/zinc/81/82/27/172818227.db2.gz BTURVZXTTLNSRJ-UHFFFAOYSA-N 0 0 258.748 4.501 10 0 CJAERN CCC(=O)Nc1ccc(Cl)c(N[C@H](C)[C@H](C)CC)c1 ZINC000036941940 172818334 /nfs/dbraw/zinc/81/83/34/172818334.db2.gz DVKNYLMFEHLLGG-GHMZBOCLSA-N 0 0 282.815 4.535 10 0 CJAERN CCC(=O)Nc1ccc(Cl)c(N[C@@H](C)[C@H](C)CC)c1 ZINC000036941944 172818372 /nfs/dbraw/zinc/81/83/72/172818372.db2.gz DVKNYLMFEHLLGG-MNOVXSKESA-N 0 0 282.815 4.535 10 0 CJAERN CCC(=O)Nc1ccc(Cl)c(N[C@@H](C)[C@@H](C)CC)c1 ZINC000036941946 172818065 /nfs/dbraw/zinc/81/80/65/172818065.db2.gz DVKNYLMFEHLLGG-QWRGUYRKSA-N 0 0 282.815 4.535 10 0 CJAERN CCc1ccc(C(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000036943035 172818765 /nfs/dbraw/zinc/81/87/65/172818765.db2.gz ROXNEIOZUBGWRA-UHFFFAOYSA-N 0 0 272.413 4.839 10 0 CJAERN Cc1cc(C(=O)c2ccccc2C(F)(F)F)c(C)s1 ZINC000036944053 172819796 /nfs/dbraw/zinc/81/97/96/172819796.db2.gz NFSBIHNCUWAUMH-UHFFFAOYSA-N 0 0 284.302 4.615 10 0 CJAERN Cc1cc(N)ccc1Oc1cccc(Cl)c1Cl ZINC000036950268 172824887 /nfs/dbraw/zinc/82/48/87/172824887.db2.gz ZKZJIUWUWGLBGV-UHFFFAOYSA-N 0 0 268.143 4.676 10 0 CJAERN CC[C@H](C)[C@@H](C)Nc1cc(C(C)(C)C)ccc1OC ZINC000036953757 172826365 /nfs/dbraw/zinc/82/63/65/172826365.db2.gz IUAFXVOTCCDWKO-QWHCGFSZSA-N 0 0 263.425 4.839 10 0 CJAERN COc1ccc(C(C)(C)C)cc1NCc1ccsc1 ZINC000036953794 172826084 /nfs/dbraw/zinc/82/60/84/172826084.db2.gz FOKPPIKKZPJFRW-UHFFFAOYSA-N 0 0 275.417 4.666 10 0 CJAERN CCC(CC)CNc1cc(C(C)(C)C)ccc1OC ZINC000036953795 172826163 /nfs/dbraw/zinc/82/61/63/172826163.db2.gz GBIUNSKZSKXHEL-UHFFFAOYSA-N 0 0 263.425 4.841 10 0 CJAERN Cc1ccc([C@H](C)Nc2cccc3cnccc32)s1 ZINC000036954029 172826560 /nfs/dbraw/zinc/82/65/60/172826560.db2.gz OLZQMVZNIJWVCQ-LBPRGKRZSA-N 0 0 268.385 4.778 10 0 CJAERN CCCOc1ccccc1NC1CCC(CC)CC1 ZINC000036955438 172827226 /nfs/dbraw/zinc/82/72/26/172827226.db2.gz BKRGICGJVUQZBI-UHFFFAOYSA-N 0 0 261.409 4.856 10 0 CJAERN Cc1nc2ccc(NC3[C@@H](C)CCC[C@@H]3C)cc2s1 ZINC000036956041 172828023 /nfs/dbraw/zinc/82/80/23/172828023.db2.gz MFMISDOCANWHHO-QWRGUYRKSA-N 0 0 274.433 4.841 10 0 CJAERN Cc1ccc(CNc2ccccc2C(C)(C)C)s1 ZINC000036956429 172827901 /nfs/dbraw/zinc/82/79/01/172827901.db2.gz HEJOXUFEXZFJNK-UHFFFAOYSA-N 0 0 259.418 4.966 10 0 CJAERN CSc1ccccc1N[C@@H](C)c1cc(F)ccc1F ZINC000036957383 172828083 /nfs/dbraw/zinc/82/80/83/172828083.db2.gz RVDAEODTTCTMGL-JTQLQIEISA-N 0 0 279.355 4.860 10 0 CJAERN CSc1ccccc1N[C@H](C)c1cc(F)ccc1F ZINC000036957384 172827943 /nfs/dbraw/zinc/82/79/43/172827943.db2.gz RVDAEODTTCTMGL-SNVBAGLBSA-N 0 0 279.355 4.860 10 0 CJAERN C[C@@H](Nc1ccccc1N1CCCC1)c1cccs1 ZINC000036958695 172828685 /nfs/dbraw/zinc/82/86/85/172828685.db2.gz YEAQHMFFIGDQDC-CYBMUJFWSA-N 0 0 272.417 4.521 10 0 CJAERN C[C@H]1C[C@@H](OCc2ccc(Cl)c(N)c2)CC(C)(C)C1 ZINC000036964766 172832814 /nfs/dbraw/zinc/83/28/14/172832814.db2.gz KVJSPAJEAHTMOQ-WCQYABFASA-N 0 0 281.827 4.654 10 0 CJAERN CCCc1ccccc1NC[C@H](C)c1ccccc1 ZINC000036974108 172841579 /nfs/dbraw/zinc/84/15/79/172841579.db2.gz YBJBNWJXGDCASK-HNNXBMFYSA-N 0 0 253.389 4.855 10 0 CJAERN CCCc1ccccc1NCc1ccc(F)cc1F ZINC000036974234 172841733 /nfs/dbraw/zinc/84/17/33/172841733.db2.gz KHRLQENXZSACOX-UHFFFAOYSA-N 0 0 261.315 4.529 10 0 CJAERN CCCc1ccccc1N[C@H](C)c1ccc(O)cc1 ZINC000036974578 172841431 /nfs/dbraw/zinc/84/14/31/172841431.db2.gz MJDKTQFSTOTNTN-CYBMUJFWSA-N 0 0 255.361 4.518 10 0 CJAERN CCCc1ccccc1N[C@@H](C)c1ccc(F)cc1 ZINC000036974656 172841743 /nfs/dbraw/zinc/84/17/43/172841743.db2.gz CDTUNVRPRLSLGB-ZDUSSCGKSA-N 0 0 257.352 4.951 10 0 CJAERN Clc1ncccc1NCc1cccc2ccccc21 ZINC000036982584 172849166 /nfs/dbraw/zinc/84/91/66/172849166.db2.gz YMVUQSGTEIQWIC-UHFFFAOYSA-N 0 0 268.747 4.500 10 0 CJAERN FC(F)(F)c1cc(NC(C2CC2)C2CC2)ccc1Cl ZINC000036984111 172849852 /nfs/dbraw/zinc/84/98/52/172849852.db2.gz CPFJTVDWILEKJM-UHFFFAOYSA-N 0 0 289.728 4.959 10 0 CJAERN Cc1nc([C@@H](C)N[C@@H](C)c2ccc(Cl)s2)cs1 ZINC000036992431 333452500 /nfs/dbraw/zinc/45/25/00/333452500.db2.gz OQCKWBWCPJOWLU-SFYZADRCSA-N 0 0 286.853 4.578 10 0 CJAERN Cc1nc([C@@H](C)N[C@H](C)c2ccc(Cl)s2)cs1 ZINC000036992433 328638941 /nfs/dbraw/zinc/63/89/41/328638941.db2.gz OQCKWBWCPJOWLU-HTQZYQBOSA-N 0 0 286.853 4.578 10 0 CJAERN Cc1nc([C@H](C)N[C@H](C)c2ccc(Cl)s2)cs1 ZINC000036992434 328639018 /nfs/dbraw/zinc/63/90/18/328639018.db2.gz OQCKWBWCPJOWLU-JGVFFNPUSA-N 0 0 286.853 4.578 10 0 CJAERN CCC1CCC(Nc2cccc(OC(F)F)c2)CC1 ZINC000037006083 172865447 /nfs/dbraw/zinc/86/54/47/172865447.db2.gz YIENEGFGZVLNLV-UHFFFAOYSA-N 0 0 269.335 4.669 10 0 CJAERN FC(F)(F)c1cc(NCc2ccccc2)ccc1Cl ZINC000037009222 172867379 /nfs/dbraw/zinc/86/73/79/172867379.db2.gz VWRYQACNZAAWLB-UHFFFAOYSA-N 0 0 285.696 4.971 10 0 CJAERN CCC(C)(C)Nc1nc2cc(C(F)(F)F)ccc2s1 ZINC000037011886 172869795 /nfs/dbraw/zinc/86/97/95/172869795.db2.gz SKQDYWNUNRVZFF-UHFFFAOYSA-N 0 0 288.338 4.916 10 0 CJAERN CCc1cc(OCc2cc(N)ccc2Cl)ccc1Cl ZINC000037024197 172888427 /nfs/dbraw/zinc/88/84/27/172888427.db2.gz RWWUYSWXAKRTIZ-UHFFFAOYSA-N 0 0 296.197 4.717 10 0 CJAERN CC[C@H](C)[C@@H](C)Nc1cccc(-c2csc(C)n2)c1 ZINC000037047157 172913649 /nfs/dbraw/zinc/91/36/49/172913649.db2.gz XGJVVWFCPWRNKC-NWDGAFQWSA-N 0 0 274.433 4.965 10 0 CJAERN CC[C@@H](C)[C@H](C)Nc1cccc(-c2csc(C)n2)c1 ZINC000037047158 172913998 /nfs/dbraw/zinc/91/39/98/172913998.db2.gz XGJVVWFCPWRNKC-NEPJUHHUSA-N 0 0 274.433 4.965 10 0 CJAERN FC(F)(F)c1ccc(NC(C2CC2)C2CC2)c(Cl)c1 ZINC000037047668 172914490 /nfs/dbraw/zinc/91/44/90/172914490.db2.gz AEOAHAIJLBKGCT-UHFFFAOYSA-N 0 0 289.728 4.959 10 0 CJAERN CCCCC[C@@H](C)Nc1cc(C(=O)OC)ccc1Cl ZINC000037047807 172914782 /nfs/dbraw/zinc/91/47/82/172914782.db2.gz QQNKLZSCAWMUMI-LLVKDONJSA-N 0 0 283.799 4.507 10 0 CJAERN CC[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(C)cc1 ZINC000037048124 260065939 /nfs/dbraw/zinc/06/59/39/260065939.db2.gz SJXVZKWVNJMPRV-ZWKOTPCHSA-N 0 0 281.399 4.560 10 0 CJAERN CC[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(C)cc1 ZINC000037048125 260065830 /nfs/dbraw/zinc/06/58/30/260065830.db2.gz SJXVZKWVNJMPRV-QZTJIDSGSA-N 0 0 281.399 4.560 10 0 CJAERN CC[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(C)cc1 ZINC000037048126 260065909 /nfs/dbraw/zinc/06/59/09/260065909.db2.gz SJXVZKWVNJMPRV-ROUUACIJSA-N 0 0 281.399 4.560 10 0 CJAERN CC[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(C)cc1 ZINC000037048127 260066029 /nfs/dbraw/zinc/06/60/29/260066029.db2.gz SJXVZKWVNJMPRV-MSOLQXFVSA-N 0 0 281.399 4.560 10 0 CJAERN C[C@H](Nc1ccc(Cl)cc1F)c1ccc(F)c(F)c1 ZINC000037056414 172923356 /nfs/dbraw/zinc/92/33/56/172923356.db2.gz XKDXWUBNGLKJER-QMMMGPOBSA-N 0 0 285.696 4.930 10 0 CJAERN C[C@@H](Nc1ccc(Cl)cc1F)c1ccc(F)c(F)c1 ZINC000037056415 172923524 /nfs/dbraw/zinc/92/35/24/172923524.db2.gz XKDXWUBNGLKJER-MRVPVSSYSA-N 0 0 285.696 4.930 10 0 CJAERN C[C@@H](Nc1ccc(Cl)cc1F)c1ccc(F)cc1F ZINC000037056417 172923510 /nfs/dbraw/zinc/92/35/10/172923510.db2.gz NZWOSRDSKIUWMQ-MRVPVSSYSA-N 0 0 285.696 4.930 10 0 CJAERN CC[C@H](Nc1ccc(Cl)c(F)c1)c1ccc(O)cc1 ZINC000037069971 172931051 /nfs/dbraw/zinc/93/10/51/172931051.db2.gz WSBCKYWUYPAEMQ-HNNXBMFYSA-N 0 0 279.742 4.748 10 0 CJAERN Fc1cc(NC2C3CC4CC(C3)CC2C4)ccc1Cl ZINC000037070218 172931209 /nfs/dbraw/zinc/93/12/09/172931209.db2.gz MCYOVYWMPQWJDI-UHFFFAOYSA-N 0 0 279.786 4.716 10 0 CJAERN COc1ncccc1N[C@H](C)c1ccc(Cl)cc1Cl ZINC000037070715 172931960 /nfs/dbraw/zinc/93/19/60/172931960.db2.gz KTHNNNUODXRVPO-SECBINFHSA-N 0 0 297.185 4.570 10 0 CJAERN CCOc1cc(F)ccc1N[C@H](CC)C[C@H](C)CC ZINC000037092082 172946990 /nfs/dbraw/zinc/94/69/90/172946990.db2.gz BVUQAMBTSWFRGM-TZMCWYRMSA-N 0 0 267.388 4.851 10 0 CJAERN CCOc1cc(F)ccc1N[C@H](CC)C[C@@H](C)CC ZINC000037092083 172947340 /nfs/dbraw/zinc/94/73/40/172947340.db2.gz BVUQAMBTSWFRGM-GXTWGEPZSA-N 0 0 267.388 4.851 10 0 CJAERN CCOc1cc(F)ccc1N[C@@H](CC)C[C@@H](C)CC ZINC000037092085 172947342 /nfs/dbraw/zinc/94/73/42/172947342.db2.gz BVUQAMBTSWFRGM-JSGCOSHPSA-N 0 0 267.388 4.851 10 0 CJAERN CCOc1cc(F)ccc1N[C@@H](C)c1ccc(C)s1 ZINC000037092095 172946865 /nfs/dbraw/zinc/94/68/65/172946865.db2.gz WQGBWGCLISMOEM-NSHDSACASA-N 0 0 279.380 4.767 10 0 CJAERN CCCC(CCC)Nc1cccc(-n2cccc2)c1 ZINC000037104238 172957266 /nfs/dbraw/zinc/95/72/66/172957266.db2.gz MSBPPKCOFOGFSD-UHFFFAOYSA-N 0 0 256.393 4.858 10 0 CJAERN CC(=O)Nc1cc(N[C@@H]2C[C@H](C)CC(C)(C)C2)ccc1C ZINC000037120425 333487065 /nfs/dbraw/zinc/48/70/65/333487065.db2.gz FUGKVNWMAUYJLX-BLLLJJGKSA-N 0 0 288.435 4.580 10 0 CJAERN CC(=O)Nc1cc(N[C@H]2C[C@H](C)CC(C)(C)C2)ccc1C ZINC000037120426 333487046 /nfs/dbraw/zinc/48/70/46/333487046.db2.gz FUGKVNWMAUYJLX-LRDDRELGSA-N 0 0 288.435 4.580 10 0 CJAERN CC(=O)Nc1cc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)ccc1C ZINC000037120427 333487064 /nfs/dbraw/zinc/48/70/64/333487064.db2.gz FUGKVNWMAUYJLX-MLGOLLRUSA-N 0 0 288.435 4.580 10 0 CJAERN CC(=O)Nc1cc(N[C@H]2C[C@@H](C)CC(C)(C)C2)ccc1C ZINC000037120428 333487048 /nfs/dbraw/zinc/48/70/48/333487048.db2.gz FUGKVNWMAUYJLX-WBMJQRKESA-N 0 0 288.435 4.580 10 0 CJAERN COc1c(C)ccc(NC2CCCCCCC2)c1C ZINC000037125710 172972288 /nfs/dbraw/zinc/97/22/88/172972288.db2.gz OYUZXOJGKFOLIM-UHFFFAOYSA-N 0 0 261.409 4.837 10 0 CJAERN CC[C@H](C)C[C@H](CC)Nc1ccc(C)c(OC)c1C ZINC000037125819 172972420 /nfs/dbraw/zinc/97/24/20/172972420.db2.gz XMYHDURERKJCNS-WFASDCNBSA-N 0 0 263.425 4.939 10 0 CJAERN Cc1ccc([C@@H](C)Nc2cc(Cl)ccc2N(C)C)s1 ZINC000037129449 172973389 /nfs/dbraw/zinc/97/33/89/172973389.db2.gz IFFBWHBKOIAUHG-LLVKDONJSA-N 0 0 294.851 4.949 10 0 CJAERN Cc1ccc(NCc2ccc(Cl)c(Cl)c2)c(C)c1O ZINC000037130315 172974058 /nfs/dbraw/zinc/97/40/58/172974058.db2.gz SCCZPBFUWPHCSJ-UHFFFAOYSA-N 0 0 296.197 4.928 10 0 CJAERN CCCCC[C@@H](C)Nc1cccc2c(O)cccc12 ZINC000037132238 172974757 /nfs/dbraw/zinc/97/47/57/172974757.db2.gz HUYKJUSUWBVGDK-CYBMUJFWSA-N 0 0 257.377 4.926 10 0 CJAERN Cc1ccc(CNc2cccc3c(O)cccc23)s1 ZINC000037132256 172974840 /nfs/dbraw/zinc/97/48/40/172974840.db2.gz LJBODYMSVUJHJA-UHFFFAOYSA-N 0 0 269.369 4.527 10 0 CJAERN CC1CCC(Nc2cccc3c(O)cccc23)CC1 ZINC000037132295 172974774 /nfs/dbraw/zinc/97/47/74/172974774.db2.gz AAZYJPPGZJIEPT-UHFFFAOYSA-N 0 0 255.361 4.536 10 0 CJAERN C[C@H]1CCCC[C@@H]1Nc1cccc2c(O)cccc12 ZINC000037132307 172974938 /nfs/dbraw/zinc/97/49/38/172974938.db2.gz XYMDOUOHWBOIBD-WFASDCNBSA-N 0 0 255.361 4.536 10 0 CJAERN C[C@H]1CCCC[C@H]1Nc1cccc2c(O)cccc12 ZINC000037132309 172974721 /nfs/dbraw/zinc/97/47/21/172974721.db2.gz XYMDOUOHWBOIBD-SWLSCSKDSA-N 0 0 255.361 4.536 10 0 CJAERN CC(C)CC[C@H](C)Nc1cccc2c(O)cccc12 ZINC000037132348 172974740 /nfs/dbraw/zinc/97/47/40/172974740.db2.gz HWDQAAYNIQMJHZ-ZDUSSCGKSA-N 0 0 257.377 4.782 10 0 CJAERN CCC[C@@H](C)CNc1ccc2oc(C(C)C)nc2c1 ZINC000037136702 172977278 /nfs/dbraw/zinc/97/72/78/172977278.db2.gz JQXXRQALZUJKKB-GFCCVEGCSA-N 0 0 260.381 4.799 10 0 CJAERN Cc1ccc(-c2nc(Cl)cc(C(C)(C)C)n2)cc1C ZINC000037169427 173004349 /nfs/dbraw/zinc/00/43/49/173004349.db2.gz JVWJNFODNNWAML-UHFFFAOYSA-N 0 0 274.795 4.711 10 0 CJAERN Nc1ccc(SCc2ccc(C(F)(F)F)cc2)cc1 ZINC000037181800 173013516 /nfs/dbraw/zinc/01/35/16/173013516.db2.gz DNQUBMOQOOTMDY-UHFFFAOYSA-N 0 0 283.318 4.580 10 0 CJAERN Nc1ccc(SCc2csc(-c3ccccc3)n2)cc1 ZINC000037182012 173014202 /nfs/dbraw/zinc/01/42/02/173014202.db2.gz KDGWDGZLZBCJBN-UHFFFAOYSA-N 0 0 298.436 4.685 10 0 CJAERN CC(C)(C)c1ccc(CSc2ccc(N)cc2)cc1 ZINC000037182215 173014369 /nfs/dbraw/zinc/01/43/69/173014369.db2.gz XBOQCMUTODSZFA-UHFFFAOYSA-N 0 0 271.429 4.859 10 0 CJAERN Cc1ccc(CNc2cc(Cl)ccc2C)cc1C ZINC000037184754 173016500 /nfs/dbraw/zinc/01/65/00/173016500.db2.gz NXGSWSOHACFMEQ-UHFFFAOYSA-N 0 0 259.780 4.877 10 0 CJAERN Cc1ccc([C@H](Nc2cccc(C)c2)C2CC2)cc1 ZINC000037185349 173016877 /nfs/dbraw/zinc/01/68/77/173016877.db2.gz FRZZSGLPPQJSPI-SFHVURJKSA-N 0 0 251.373 4.867 10 0 CJAERN Cc1ccc([C@@H](Nc2cccc(C)c2)C2CC2)cc1 ZINC000037185350 173016451 /nfs/dbraw/zinc/01/64/51/173016451.db2.gz FRZZSGLPPQJSPI-GOSISDBHSA-N 0 0 251.373 4.867 10 0 CJAERN COc1ccc([C@@H](Nc2cccc(C)c2)C2CC2)cc1 ZINC000037185384 333509982 /nfs/dbraw/zinc/50/99/82/333509982.db2.gz VDLPLFACBXGWHN-SFHVURJKSA-N 0 0 267.372 4.567 10 0 CJAERN c1ccc(N[C@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC000037186111 173017220 /nfs/dbraw/zinc/01/72/20/173017220.db2.gz MNNHGKMXTSNKEZ-ROUUACIJSA-N 0 0 251.373 4.825 10 0 CJAERN c1ccc(N[C@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000037186112 173017115 /nfs/dbraw/zinc/01/71/15/173017115.db2.gz MNNHGKMXTSNKEZ-MSOLQXFVSA-N 0 0 251.373 4.825 10 0 CJAERN c1ccc(N[C@@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC000037186113 173017277 /nfs/dbraw/zinc/01/72/77/173017277.db2.gz MNNHGKMXTSNKEZ-ZWKOTPCHSA-N 0 0 251.373 4.825 10 0 CJAERN c1ccc(N[C@@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000037186114 173017759 /nfs/dbraw/zinc/01/77/59/173017759.db2.gz MNNHGKMXTSNKEZ-QZTJIDSGSA-N 0 0 251.373 4.825 10 0 CJAERN Clc1cc(Cl)c2c(c1)[C@H](Nc1ccccc1)CCO2 ZINC000037186156 173017063 /nfs/dbraw/zinc/01/70/63/173017063.db2.gz QONDTIMFQKHIRE-CQSZACIVSA-N 0 0 294.181 4.929 10 0 CJAERN Clc1cc(Cl)c2c(c1)[C@@H](Nc1ccccc1)CCO2 ZINC000037186157 173017582 /nfs/dbraw/zinc/01/75/82/173017582.db2.gz QONDTIMFQKHIRE-AWEZNQCLSA-N 0 0 294.181 4.929 10 0 CJAERN Cc1nc(C(C)(C)C)sc1[C@@H](C)Nc1ccccc1 ZINC000037186170 173017612 /nfs/dbraw/zinc/01/76/12/173017612.db2.gz VXCHQLXEDPJXHA-LLVKDONJSA-N 0 0 274.433 4.922 10 0 CJAERN Cc1nc(C(C)(C)C)sc1[C@H](C)Nc1ccccc1 ZINC000037186171 173017647 /nfs/dbraw/zinc/01/76/47/173017647.db2.gz VXCHQLXEDPJXHA-NSHDSACASA-N 0 0 274.433 4.922 10 0 CJAERN c1cncc(N[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000037187133 173017438 /nfs/dbraw/zinc/01/74/38/173017438.db2.gz ZCMGHUWUNQDUQO-IAGOWNOFSA-N 0 0 258.409 4.633 10 0 CJAERN c1cncc(N[C@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000037187134 173017169 /nfs/dbraw/zinc/01/71/69/173017169.db2.gz ZCMGHUWUNQDUQO-SJORKVTESA-N 0 0 258.409 4.633 10 0 CJAERN c1cncc(N[C@@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC000037187135 173017543 /nfs/dbraw/zinc/01/75/43/173017543.db2.gz ZCMGHUWUNQDUQO-DLBZAZTESA-N 0 0 258.409 4.633 10 0 CJAERN Clc1ccc(Cl)c(N[C@H]2CCc3ccccc3C2)c1 ZINC000037188169 173018313 /nfs/dbraw/zinc/01/83/13/173018313.db2.gz SWAJMICUIGBWSD-AWEZNQCLSA-N 0 0 292.209 4.963 10 0 CJAERN Clc1ccc(Cl)c(N[C@@H]2CCc3ccccc3C2)c1 ZINC000037188170 173018407 /nfs/dbraw/zinc/01/84/07/173018407.db2.gz SWAJMICUIGBWSD-CQSZACIVSA-N 0 0 292.209 4.963 10 0 CJAERN COc1ccc([C@H](Nc2cccc(SC)c2)C2CC2)cc1 ZINC000037188343 333510216 /nfs/dbraw/zinc/51/02/16/333510216.db2.gz NTPKSDZOYQVQRH-GOSISDBHSA-N 0 0 299.439 4.980 10 0 CJAERN COc1ccc([C@@H](Nc2cccc(SC)c2)C2CC2)cc1 ZINC000037188344 333510132 /nfs/dbraw/zinc/51/01/32/333510132.db2.gz NTPKSDZOYQVQRH-SFHVURJKSA-N 0 0 299.439 4.980 10 0 CJAERN CSc1cccc(NCc2cc(C)c(C)cc2C)c1 ZINC000037188349 173018439 /nfs/dbraw/zinc/01/84/39/173018439.db2.gz OXRJPLHJEQDTCU-UHFFFAOYSA-N 0 0 271.429 4.946 10 0 CJAERN Cc1ccc(CNc2ccc(C)c(Cl)c2)cc1C ZINC000037188545 173018019 /nfs/dbraw/zinc/01/80/19/173018019.db2.gz UJVYOUZSTSVKIX-UHFFFAOYSA-N 0 0 259.780 4.877 10 0 CJAERN Cc1ncsc1[C@@H](C)Nc1cccc2ccccc21 ZINC000037188663 173019137 /nfs/dbraw/zinc/01/91/37/173019137.db2.gz XKHKKTKOODNJOX-GFCCVEGCSA-N 0 0 268.385 4.778 10 0 CJAERN Cc1ncsc1[C@H](C)Nc1cccc2ccccc21 ZINC000037188664 173018942 /nfs/dbraw/zinc/01/89/42/173018942.db2.gz XKHKKTKOODNJOX-LBPRGKRZSA-N 0 0 268.385 4.778 10 0 CJAERN Cc1ccc(SCCSc2ccc(F)cc2)c(N)c1 ZINC000037192751 173021705 /nfs/dbraw/zinc/02/17/05/173021705.db2.gz NNBFZRGFUOUXHR-UHFFFAOYSA-N 0 0 293.432 4.601 10 0 CJAERN Cc1ccc(SCc2csc(C(C)(C)C)n2)c(N)c1 ZINC000037192779 173022254 /nfs/dbraw/zinc/02/22/54/173022254.db2.gz FTUBLAQZTFPRAX-UHFFFAOYSA-N 0 0 292.473 4.624 10 0 CJAERN Cc1ccc(SCc2c(F)cccc2Cl)c(N)c1 ZINC000037193108 173021876 /nfs/dbraw/zinc/02/18/76/173021876.db2.gz BSOPYFULAROLMR-UHFFFAOYSA-N 0 0 281.783 4.662 10 0 CJAERN Cc1ccc(SCc2ccccc2Cl)c(N)c1 ZINC000037193272 173022372 /nfs/dbraw/zinc/02/23/72/173022372.db2.gz GQFMFIRIJCDCQV-UHFFFAOYSA-N 0 0 263.793 4.523 10 0 CJAERN Cc1ccc(SCc2ccc(Cl)cc2)c(N)c1 ZINC000037193310 173023313 /nfs/dbraw/zinc/02/33/13/173023313.db2.gz TYPIXANJOMUEPA-UHFFFAOYSA-N 0 0 263.793 4.523 10 0 CJAERN Cc1cc(N)ccc1SCCSc1ccc(F)cc1 ZINC000037193405 173023137 /nfs/dbraw/zinc/02/31/37/173023137.db2.gz OIUIUWFTKAYDDJ-UHFFFAOYSA-N 0 0 293.432 4.601 10 0 CJAERN COc1ccc(Cl)cc1CSc1ccc(N)cc1C ZINC000037193586 173023301 /nfs/dbraw/zinc/02/33/01/173023301.db2.gz VXODOJORMHIEHP-UHFFFAOYSA-N 0 0 293.819 4.532 10 0 CJAERN Cc1cc(N)ccc1SCc1ccc(C(C)C)cc1 ZINC000037193780 173022839 /nfs/dbraw/zinc/02/28/39/173022839.db2.gz STWJWHGZCWJPES-UHFFFAOYSA-N 0 0 271.429 4.993 10 0 CJAERN Cc1cc(N)ccc1SCc1ccc(F)cc1Cl ZINC000037193942 173022780 /nfs/dbraw/zinc/02/27/80/173022780.db2.gz YLZBDLAUGNZPBS-UHFFFAOYSA-N 0 0 281.783 4.662 10 0 CJAERN CCOc1ccc(CSc2c(N)cccc2Cl)cc1 ZINC000037195421 173024313 /nfs/dbraw/zinc/02/43/13/173024313.db2.gz QOFZCRWQFHVGDW-UHFFFAOYSA-N 0 0 293.819 4.613 10 0 CJAERN CCOc1ccccc1N[C@@H](c1cccs1)C(C)C ZINC000037195844 173024354 /nfs/dbraw/zinc/02/43/54/173024354.db2.gz YPBMOLMRYRAVSR-MRXNPFEDSA-N 0 0 275.417 4.956 10 0 CJAERN COc1ccc([C@H](Nc2ccc(SC)cc2)C2CC2)cc1 ZINC000037197640 333512554 /nfs/dbraw/zinc/51/25/54/333512554.db2.gz VQTXLNHZBKWIIO-GOSISDBHSA-N 0 0 299.439 4.980 10 0 CJAERN COc1ccc([C@@H](Nc2ccc(SC)cc2)C2CC2)cc1 ZINC000037197641 333512518 /nfs/dbraw/zinc/51/25/18/333512518.db2.gz VQTXLNHZBKWIIO-SFHVURJKSA-N 0 0 299.439 4.980 10 0 CJAERN C[C@H](Nc1cccc2ncccc21)C1CCCCC1 ZINC000037197876 173024871 /nfs/dbraw/zinc/02/48/71/173024871.db2.gz BRNJTGKWQILBNP-ZDUSSCGKSA-N 0 0 254.377 4.616 10 0 CJAERN C[C@@H](Nc1cccc2ncccc21)C1CCCCC1 ZINC000037197877 173024764 /nfs/dbraw/zinc/02/47/64/173024764.db2.gz BRNJTGKWQILBNP-CYBMUJFWSA-N 0 0 254.377 4.616 10 0 CJAERN COc1ccc(CNc2ccccc2C(C)C)cc1C ZINC000037198123 173024775 /nfs/dbraw/zinc/02/47/75/173024775.db2.gz SCJBUMFRYIRNDA-UHFFFAOYSA-N 0 0 269.388 4.739 10 0 CJAERN C[C@H](NCc1ccccc1Cl)c1ccc(F)cc1Cl ZINC000037198966 333512666 /nfs/dbraw/zinc/51/26/66/333512666.db2.gz BOPFOKPAKTVDBI-JTQLQIEISA-N 0 0 298.188 4.983 10 0 CJAERN COc1ccc([C@@H](Nc2ccc(F)c(F)c2)C2CC2)cc1 ZINC000037201707 333512905 /nfs/dbraw/zinc/51/29/05/333512905.db2.gz ZSZPLTTUFMTCEO-KRWDZBQOSA-N 0 0 289.325 4.537 10 0 CJAERN C[C@H](Nc1ccc(F)c(F)c1)c1ccc(F)cc1Cl ZINC000037201722 173025360 /nfs/dbraw/zinc/02/53/60/173025360.db2.gz VDPHELHAPMCWGC-QMMMGPOBSA-N 0 0 285.696 4.930 10 0 CJAERN C[C@@H](Nc1ccc(F)c(F)c1)c1ccc(F)cc1Cl ZINC000037201723 173025430 /nfs/dbraw/zinc/02/54/30/173025430.db2.gz VDPHELHAPMCWGC-MRVPVSSYSA-N 0 0 285.696 4.930 10 0 CJAERN CC(C)[C@H](Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000037201768 173025633 /nfs/dbraw/zinc/02/56/33/173025633.db2.gz DORALJNZBPDDCJ-INIZCTEOSA-N 0 0 261.315 4.774 10 0 CJAERN CC(C)[C@@H](Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000037201769 173025332 /nfs/dbraw/zinc/02/53/32/173025332.db2.gz DORALJNZBPDDCJ-MRXNPFEDSA-N 0 0 261.315 4.774 10 0 CJAERN Cc1ccc(NCc2cc(C)c(C)cc2C)cc1C ZINC000037202327 173025919 /nfs/dbraw/zinc/02/59/19/173025919.db2.gz OHVCIOUTFNPFMI-UHFFFAOYSA-N 0 0 253.389 4.841 10 0 CJAERN COc1ccc([C@H](C)Nc2cccc(Cl)c2)c(F)c1 ZINC000037202488 173025889 /nfs/dbraw/zinc/02/58/89/173025889.db2.gz URHVAWSLWYKRPQ-JTQLQIEISA-N 0 0 279.742 4.661 10 0 CJAERN COc1ccc([C@@H](C)Nc2cccc(Cl)c2)c(F)c1 ZINC000037202489 173026373 /nfs/dbraw/zinc/02/63/73/173026373.db2.gz URHVAWSLWYKRPQ-SNVBAGLBSA-N 0 0 279.742 4.661 10 0 CJAERN COc1cc(C)ccc1[C@@H](C)Nc1cccc(Cl)c1 ZINC000037202530 173026254 /nfs/dbraw/zinc/02/62/54/173026254.db2.gz YVHWWPPBLXKVRK-GFCCVEGCSA-N 0 0 275.779 4.830 10 0 CJAERN COc1cc(C)ccc1[C@H](C)Nc1cccc(Cl)c1 ZINC000037202531 173026176 /nfs/dbraw/zinc/02/61/76/173026176.db2.gz YVHWWPPBLXKVRK-LBPRGKRZSA-N 0 0 275.779 4.830 10 0 CJAERN COc1ccc([C@H](C)Nc2ccc(Cl)cc2)c(F)c1 ZINC000037202851 173026179 /nfs/dbraw/zinc/02/61/79/173026179.db2.gz GYUDFOAHWBBFMB-JTQLQIEISA-N 0 0 279.742 4.661 10 0 CJAERN COc1ccc([C@@H](C)Nc2ccc(Cl)cc2)c(F)c1 ZINC000037202852 173026165 /nfs/dbraw/zinc/02/61/65/173026165.db2.gz GYUDFOAHWBBFMB-SNVBAGLBSA-N 0 0 279.742 4.661 10 0 CJAERN COc1cc(C)ccc1[C@@H](C)Nc1ccc(Cl)cc1 ZINC000037202893 173026279 /nfs/dbraw/zinc/02/62/79/173026279.db2.gz OKDXIDIXDXYFIT-GFCCVEGCSA-N 0 0 275.779 4.830 10 0 CJAERN COc1cc(C)ccc1[C@H](C)Nc1ccc(Cl)cc1 ZINC000037202894 173025810 /nfs/dbraw/zinc/02/58/10/173025810.db2.gz OKDXIDIXDXYFIT-LBPRGKRZSA-N 0 0 275.779 4.830 10 0 CJAERN CSc1ccc(CSc2c(N)cccc2Cl)cc1 ZINC000037204043 173026978 /nfs/dbraw/zinc/02/69/78/173026978.db2.gz XRJOJOMTSSFZST-UHFFFAOYSA-N 0 0 295.860 4.936 10 0 CJAERN Cc1ccc(CSc2c(N)cccc2Cl)cc1 ZINC000037204313 173026558 /nfs/dbraw/zinc/02/65/58/173026558.db2.gz FRMATFLIJWGFOY-UHFFFAOYSA-N 0 0 263.793 4.523 10 0 CJAERN Nc1cccc(Cl)c1SCc1cccc(Cl)c1 ZINC000037204332 173026764 /nfs/dbraw/zinc/02/67/64/173026764.db2.gz HIVFXPCGIDOYDQ-UHFFFAOYSA-N 0 0 284.211 4.868 10 0 CJAERN Nc1cccc(Cl)c1SCc1ccccc1Cl ZINC000037204343 173026738 /nfs/dbraw/zinc/02/67/38/173026738.db2.gz XUZXAYYPKFUXDT-UHFFFAOYSA-N 0 0 284.211 4.868 10 0 CJAERN CCc1ccc(CSc2c(N)cccc2Cl)s1 ZINC000037204345 173026958 /nfs/dbraw/zinc/02/69/58/173026958.db2.gz KMDADELQVFAOJU-UHFFFAOYSA-N 0 0 283.849 4.838 10 0 CJAERN Nc1cccc(Cl)c1SC/C=C/c1ccccc1 ZINC000037204391 173026545 /nfs/dbraw/zinc/02/65/45/173026545.db2.gz YUHYEXUJPDCENI-VMPITWQZSA-N 0 0 275.804 4.728 10 0 CJAERN Nc1ccc(SCCCc2ccccc2)c(Cl)c1 ZINC000037204507 173026507 /nfs/dbraw/zinc/02/65/07/173026507.db2.gz FZIFCDKRXZDCGW-UHFFFAOYSA-N 0 0 277.820 4.647 10 0 CJAERN CSc1ccc(CSc2ccc(N)cc2Cl)cc1 ZINC000037204759 173026827 /nfs/dbraw/zinc/02/68/27/173026827.db2.gz ZPHBMDLYAWXQQN-UHFFFAOYSA-N 0 0 295.860 4.936 10 0 CJAERN Cc1cc(C)cc(CSc2ccc(N)cc2Cl)c1 ZINC000037204839 173026707 /nfs/dbraw/zinc/02/67/07/173026707.db2.gz DRDOQRXAJMBCQM-UHFFFAOYSA-N 0 0 277.820 4.831 10 0 CJAERN Cc1cccc(CSc2ccc(N)cc2Cl)c1 ZINC000037205026 173027549 /nfs/dbraw/zinc/02/75/49/173027549.db2.gz YSPDXSRVPYPEEP-UHFFFAOYSA-N 0 0 263.793 4.523 10 0 CJAERN Clc1cccc2nc(-c3ccc4c(c3)CCN4)sc21 ZINC000037205985 173027349 /nfs/dbraw/zinc/02/73/49/173027349.db2.gz DVYAPQVCOVESQJ-UHFFFAOYSA-N 0 0 286.787 4.585 10 0 CJAERN Clc1cccc2nc([C@H]3Cc4ccccc4N3)sc21 ZINC000037205987 173027256 /nfs/dbraw/zinc/02/72/56/173027256.db2.gz GOKQAWIRHYSALA-CYBMUJFWSA-N 0 0 286.787 4.659 10 0 CJAERN Clc1cccc2nc([C@@H]3Cc4ccccc4N3)sc21 ZINC000037205988 173027197 /nfs/dbraw/zinc/02/71/97/173027197.db2.gz GOKQAWIRHYSALA-ZDUSSCGKSA-N 0 0 286.787 4.659 10 0 CJAERN CNc1ccccc1-c1nc2cccc(Cl)c2s1 ZINC000037205996 173027364 /nfs/dbraw/zinc/02/73/64/173027364.db2.gz RJOMJVOCHCPQIK-UHFFFAOYSA-N 0 0 274.776 4.658 10 0 CJAERN Cc1ccc(-c2nc3cccc(Cl)c3s2)cc1N ZINC000037205998 173027429 /nfs/dbraw/zinc/02/74/29/173027429.db2.gz NCKFUTFUSGQTGW-UHFFFAOYSA-N 0 0 274.776 4.507 10 0 CJAERN Nc1cc(Cl)ccc1-c1nc2cccc(Cl)c2s1 ZINC000037206059 173027603 /nfs/dbraw/zinc/02/76/03/173027603.db2.gz MNXWOKDNWXANNP-UHFFFAOYSA-N 0 0 295.194 4.852 10 0 CJAERN Cc1cccc(-c2nc3cccc(Cl)c3s2)c1N ZINC000037206061 173027507 /nfs/dbraw/zinc/02/75/07/173027507.db2.gz OXSOLXLNCXBNEL-UHFFFAOYSA-N 0 0 274.776 4.507 10 0 CJAERN Cc1ccc(N)c(-c2nc3cccc(Cl)c3s2)c1 ZINC000037206062 173027857 /nfs/dbraw/zinc/02/78/57/173027857.db2.gz NQFZCKTUIRCGMI-UHFFFAOYSA-N 0 0 274.776 4.507 10 0 CJAERN Clc1ccc2sc(NC3CCCCC3)nc2c1 ZINC000037206151 173027282 /nfs/dbraw/zinc/02/72/82/173027282.db2.gz CPNIEYRZIDSBHS-UHFFFAOYSA-N 0 0 266.797 4.694 10 0 CJAERN COc1ccccc1Nc1nc2cccc(Cl)c2s1 ZINC000037206274 173027789 /nfs/dbraw/zinc/02/77/89/173027789.db2.gz LWKRFWRRPLWKSQ-UHFFFAOYSA-N 0 0 290.775 4.702 10 0 CJAERN COc1ccccc1Nc1nc2cc(Cl)ccc2s1 ZINC000037206278 173027645 /nfs/dbraw/zinc/02/76/45/173027645.db2.gz RYWZLIXMPHTTCI-UHFFFAOYSA-N 0 0 290.775 4.702 10 0 CJAERN Clc1cccc2nc(NCc3ccccc3)sc21 ZINC000037206301 173027397 /nfs/dbraw/zinc/02/73/97/173027397.db2.gz DCRDZKRAQUXRSJ-UHFFFAOYSA-N 0 0 274.776 4.562 10 0 CJAERN Cc1ccc2sc(Nc3ccc(F)c(F)c3)nc2c1 ZINC000037206561 173027382 /nfs/dbraw/zinc/02/73/82/173027382.db2.gz ULFHEFVQDRRPIA-UHFFFAOYSA-N 0 0 276.311 4.627 10 0 CJAERN Cc1ccc2sc(Nc3cc(C)ccc3C)nc2c1 ZINC000037206566 173027447 /nfs/dbraw/zinc/02/74/47/173027447.db2.gz ATLUPBQDKNGBGH-UHFFFAOYSA-N 0 0 268.385 4.965 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2nc3cc(F)ccc3s2)[C@@H]1C ZINC000037206584 173027277 /nfs/dbraw/zinc/02/72/77/173027277.db2.gz XFGWZXNVMVVWES-FOGDFJRCSA-N 0 0 278.396 4.672 10 0 CJAERN C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1nc2cc(F)ccc2s1 ZINC000037206585 173027721 /nfs/dbraw/zinc/02/77/21/173027721.db2.gz XFGWZXNVMVVWES-UMNHJUIQSA-N 0 0 278.396 4.672 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2nc3cc(F)ccc3s2)[C@@H]1C ZINC000037206586 173027286 /nfs/dbraw/zinc/02/72/86/173027286.db2.gz XFGWZXNVMVVWES-CKYFFXLPSA-N 0 0 278.396 4.672 10 0 CJAERN C[C@H]1[C@H](Nc2nc3cc(F)ccc3s2)CCC[C@@H]1C ZINC000037206587 173027864 /nfs/dbraw/zinc/02/78/64/173027864.db2.gz XFGWZXNVMVVWES-HOSYDEDBSA-N 0 0 278.396 4.672 10 0 CJAERN Cc1ccc(Nc2nc3cc(F)ccc3s2)c(C)c1 ZINC000037206594 173027642 /nfs/dbraw/zinc/02/76/42/173027642.db2.gz HPDSXRBAQYDKIF-UHFFFAOYSA-N 0 0 272.348 4.796 10 0 CJAERN Fc1cccc(Nc2nc3cccc(Cl)c3s2)c1 ZINC000037206601 173027759 /nfs/dbraw/zinc/02/77/59/173027759.db2.gz DPUMSMMIZGFELV-UHFFFAOYSA-N 0 0 278.739 4.832 10 0 CJAERN Fc1ccc2sc(Nc3ccc(Cl)cc3)nc2c1 ZINC000037206607 173027847 /nfs/dbraw/zinc/02/78/47/173027847.db2.gz VRWVUDFTBSQLJT-UHFFFAOYSA-N 0 0 278.739 4.832 10 0 CJAERN Fc1ccc(Nc2nc3cccc(Cl)c3s2)cc1 ZINC000037206625 173027180 /nfs/dbraw/zinc/02/71/80/173027180.db2.gz AQZJOGBEUIITOH-UHFFFAOYSA-N 0 0 278.739 4.832 10 0 CJAERN Fc1ccc(Nc2nc3cc(Cl)ccc3s2)cc1 ZINC000037206628 173027724 /nfs/dbraw/zinc/02/77/24/173027724.db2.gz MXDKINWOGPSMHG-UHFFFAOYSA-N 0 0 278.739 4.832 10 0 CJAERN Fc1ccc(Nc2nc3cccc(Cl)c3s2)c(F)c1 ZINC000037206683 173027837 /nfs/dbraw/zinc/02/78/37/173027837.db2.gz MAUMEENHSXPRHT-UHFFFAOYSA-N 0 0 296.729 4.972 10 0 CJAERN CCc1ccc(Nc2nc3cc(F)ccc3s2)cc1 ZINC000037206702 173027869 /nfs/dbraw/zinc/02/78/69/173027869.db2.gz ASHLRTAXPDXWBC-UHFFFAOYSA-N 0 0 272.348 4.741 10 0 CJAERN CCc1ccccc1Nc1nc2cc(F)ccc2s1 ZINC000037206712 173027437 /nfs/dbraw/zinc/02/74/37/173027437.db2.gz KYUMAASULUPMDA-UHFFFAOYSA-N 0 0 272.348 4.741 10 0 CJAERN CCc1cccc(Nc2nc3cc(F)ccc3s2)c1 ZINC000037206749 173027403 /nfs/dbraw/zinc/02/74/03/173027403.db2.gz TXQAORSHMJMPEP-UHFFFAOYSA-N 0 0 272.348 4.741 10 0 CJAERN CCc1cccc(Nc2nc3cc(C)ccc3s2)c1 ZINC000037206750 173027762 /nfs/dbraw/zinc/02/77/62/173027762.db2.gz GQWCCWIINXACAL-UHFFFAOYSA-N 0 0 268.385 4.911 10 0 CJAERN Cc1ccc2sc(Nc3cccc(C)c3C)nc2c1 ZINC000037206763 173027649 /nfs/dbraw/zinc/02/76/49/173027649.db2.gz LGDCSBFLHXLIMB-UHFFFAOYSA-N 0 0 268.385 4.965 10 0 CJAERN CC1CCC(Nc2nc3cc(Cl)ccc3s2)CC1 ZINC000037206784 173027393 /nfs/dbraw/zinc/02/73/93/173027393.db2.gz URFWGYOQXIICBV-UHFFFAOYSA-N 0 0 280.824 4.940 10 0 CJAERN Cc1ccc2sc(Nc3ccc(C)c(C)c3)nc2c1 ZINC000037206793 173027813 /nfs/dbraw/zinc/02/78/13/173027813.db2.gz ASKBGCAQKCYAMR-UHFFFAOYSA-N 0 0 268.385 4.965 10 0 CJAERN Fc1cccc(F)c1Nc1nc2cccc(Cl)c2s1 ZINC000037206838 173027672 /nfs/dbraw/zinc/02/76/72/173027672.db2.gz NDBWYMDSTGLVHU-UHFFFAOYSA-N 0 0 296.729 4.972 10 0 CJAERN Cc1ccc2sc(Nc3c(F)cccc3F)nc2c1 ZINC000037206841 173027780 /nfs/dbraw/zinc/02/77/80/173027780.db2.gz VCFOTZAUPCESBZ-UHFFFAOYSA-N 0 0 276.311 4.627 10 0 CJAERN Cc1cc(C)c([C@@H](C)Nc2ccccc2Cl)c(C)n1 ZINC000037210861 173032937 /nfs/dbraw/zinc/03/29/37/173032937.db2.gz AJGIGRRMNSZRFY-CYBMUJFWSA-N 0 0 274.795 4.833 10 0 CJAERN Cc1cc(C)c([C@H](C)Nc2ccccc2Cl)c(C)n1 ZINC000037210862 173032842 /nfs/dbraw/zinc/03/28/42/173032842.db2.gz AJGIGRRMNSZRFY-ZDUSSCGKSA-N 0 0 274.795 4.833 10 0 CJAERN Fc1ccc([C@H](Nc2ccccc2F)C2CC2)cc1 ZINC000037211333 173033015 /nfs/dbraw/zinc/03/30/15/173033015.db2.gz QKTZPQDUBXWYQZ-MRXNPFEDSA-N 0 0 259.299 4.528 10 0 CJAERN Fc1ccc([C@@H](Nc2ccccc2F)C2CC2)cc1 ZINC000037211334 173033296 /nfs/dbraw/zinc/03/32/96/173033296.db2.gz QKTZPQDUBXWYQZ-INIZCTEOSA-N 0 0 259.299 4.528 10 0 CJAERN Fc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000037212298 173033586 /nfs/dbraw/zinc/03/35/86/173033586.db2.gz GQCGBUMLUYHSJW-OUCADQQQSA-N 0 0 265.347 4.736 10 0 CJAERN Fc1ccc(N[C@H]2CC[C@@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000037212299 173033728 /nfs/dbraw/zinc/03/37/28/173033728.db2.gz GQCGBUMLUYHSJW-SCRDCRAPSA-N 0 0 265.347 4.736 10 0 CJAERN Fc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000037212300 173033634 /nfs/dbraw/zinc/03/36/34/173033634.db2.gz GQCGBUMLUYHSJW-YRGRVCCFSA-N 0 0 265.347 4.736 10 0 CJAERN Fc1ccc(N[C@H]2CC[C@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000037212301 173033660 /nfs/dbraw/zinc/03/36/60/173033660.db2.gz GQCGBUMLUYHSJW-BZPMIXESSA-N 0 0 265.347 4.736 10 0 CJAERN CC(C)[C@H](Nc1ccc(F)cc1F)c1ccccc1 ZINC000037212373 173033752 /nfs/dbraw/zinc/03/37/52/173033752.db2.gz XRFCSWJNBRVERS-INIZCTEOSA-N 0 0 261.315 4.774 10 0 CJAERN CC(C)[C@@H](Nc1ccc(F)cc1F)c1ccccc1 ZINC000037212374 173033613 /nfs/dbraw/zinc/03/36/13/173033613.db2.gz XRFCSWJNBRVERS-MRXNPFEDSA-N 0 0 261.315 4.774 10 0 CJAERN Cc1cc(F)ccc1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000037214033 173034885 /nfs/dbraw/zinc/03/48/85/173034885.db2.gz ZDWBSTBEYMBFAK-SQWLQELKSA-N 0 0 261.384 4.905 10 0 CJAERN Cc1cc(F)ccc1N[C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000037214034 173034639 /nfs/dbraw/zinc/03/46/39/173034639.db2.gz ZDWBSTBEYMBFAK-LZWOXQAQSA-N 0 0 261.384 4.905 10 0 CJAERN Cc1cc(F)ccc1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000037214035 173033970 /nfs/dbraw/zinc/03/39/70/173033970.db2.gz ZDWBSTBEYMBFAK-IIAWOOMASA-N 0 0 261.384 4.905 10 0 CJAERN Cc1cc(F)ccc1N[C@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000037214036 173034490 /nfs/dbraw/zinc/03/44/90/173034490.db2.gz ZDWBSTBEYMBFAK-FMKPAKJESA-N 0 0 261.384 4.905 10 0 CJAERN Cc1cc(F)ccc1N[C@@H]1CSCc2ccccc21 ZINC000037214135 173034842 /nfs/dbraw/zinc/03/48/42/173034842.db2.gz DVELORHLHYOENC-MRXNPFEDSA-N 0 0 273.376 4.534 10 0 CJAERN Cc1cc(F)ccc1N[C@H]1CSCc2ccccc21 ZINC000037214136 173034018 /nfs/dbraw/zinc/03/40/18/173034018.db2.gz DVELORHLHYOENC-INIZCTEOSA-N 0 0 273.376 4.534 10 0 CJAERN Fc1cc(F)cc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000037214223 173034656 /nfs/dbraw/zinc/03/46/56/173034656.db2.gz JZTYIKDVCOFQPP-YWPYICTPSA-N 0 0 265.347 4.736 10 0 CJAERN Fc1cc(F)cc(N[C@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000037214224 173034845 /nfs/dbraw/zinc/03/48/45/173034845.db2.gz JZTYIKDVCOFQPP-ZOWXZIJZSA-N 0 0 265.347 4.736 10 0 CJAERN Fc1cc(F)cc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000037214225 173034767 /nfs/dbraw/zinc/03/47/67/173034767.db2.gz JZTYIKDVCOFQPP-LALPHHSUSA-N 0 0 265.347 4.736 10 0 CJAERN Fc1cc(F)cc(N[C@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000037214226 173034603 /nfs/dbraw/zinc/03/46/03/173034603.db2.gz JZTYIKDVCOFQPP-JMSVASOKSA-N 0 0 265.347 4.736 10 0 CJAERN COc1ccc([C@H](Nc2ccc(C)cc2)C2CC2)cc1 ZINC000037215852 333515845 /nfs/dbraw/zinc/51/58/45/333515845.db2.gz YFTXLIIGRABPJJ-GOSISDBHSA-N 0 0 267.372 4.567 10 0 CJAERN COc1ccc([C@@H](Nc2ccc(C)cc2)C2CC2)cc1 ZINC000037215853 333515771 /nfs/dbraw/zinc/51/57/71/333515771.db2.gz YFTXLIIGRABPJJ-SFHVURJKSA-N 0 0 267.372 4.567 10 0 CJAERN Cc1cc(Cl)ccc1N[C@@H]1CCc2ccccc2C1 ZINC000037217185 173036055 /nfs/dbraw/zinc/03/60/55/173036055.db2.gz XPZMKNROTCHEFI-MRXNPFEDSA-N 0 0 271.791 4.618 10 0 CJAERN Cc1cc(Cl)ccc1N[C@H]1CCc2ccccc2C1 ZINC000037217186 173035805 /nfs/dbraw/zinc/03/58/05/173035805.db2.gz XPZMKNROTCHEFI-INIZCTEOSA-N 0 0 271.791 4.618 10 0 CJAERN Cc1ccc(CNc2ccc(Cl)cc2C)cc1C ZINC000037217201 173035860 /nfs/dbraw/zinc/03/58/60/173035860.db2.gz IGSJNKOKIQNSHG-UHFFFAOYSA-N 0 0 259.780 4.877 10 0 CJAERN Nc1ccc2ccn(Cc3c(Cl)cccc3Cl)c2c1 ZINC000037222326 173042421 /nfs/dbraw/zinc/04/24/21/173042421.db2.gz VIZSCCAJFGMWPG-UHFFFAOYSA-N 0 0 291.181 4.579 10 0 CJAERN Nc1ccc2ccn(Cc3ccc(Cl)c(Cl)c3)c2c1 ZINC000037222328 173041391 /nfs/dbraw/zinc/04/13/91/173041391.db2.gz XMKCQHHASPQFRS-UHFFFAOYSA-N 0 0 291.181 4.579 10 0 CJAERN CCc1ccc([C@@H](CC)Nc2cccc(F)c2)cc1 ZINC000037223757 173043854 /nfs/dbraw/zinc/04/38/54/173043854.db2.gz XJMKWOYZEKHTLM-QGZVFWFLSA-N 0 0 257.352 4.951 10 0 CJAERN CCc1ccc([C@H](CC)Nc2cccc(F)c2)cc1 ZINC000037223758 173043676 /nfs/dbraw/zinc/04/36/76/173043676.db2.gz XJMKWOYZEKHTLM-KRWDZBQOSA-N 0 0 257.352 4.951 10 0 CJAERN CCc1ccc([C@@H](CC)Nc2ccccc2F)cc1 ZINC000037223805 173044792 /nfs/dbraw/zinc/04/47/92/173044792.db2.gz MVXFUTBSXRLKRC-MRXNPFEDSA-N 0 0 257.352 4.951 10 0 CJAERN CCc1ccc([C@H](CC)Nc2ccccc2F)cc1 ZINC000037223806 173044599 /nfs/dbraw/zinc/04/45/99/173044599.db2.gz MVXFUTBSXRLKRC-INIZCTEOSA-N 0 0 257.352 4.951 10 0 CJAERN Cc1ccc(Cl)cc1NCc1cc(F)ccc1F ZINC000037228218 173047824 /nfs/dbraw/zinc/04/78/24/173047824.db2.gz PMLSJOJSWWONDS-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Fc1ccc(F)c(CNc2cccc3ccccc32)c1 ZINC000037228251 173048168 /nfs/dbraw/zinc/04/81/68/173048168.db2.gz JMYQRQUZMIWYJN-UHFFFAOYSA-N 0 0 269.294 4.730 10 0 CJAERN Cc1c(Cl)cccc1NCc1cc(F)ccc1F ZINC000037228277 173048025 /nfs/dbraw/zinc/04/80/25/173048025.db2.gz QRWBXSFIBJYMFQ-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Fc1ccc(F)c(CNc2ccc(Cl)cc2Cl)c1 ZINC000037228278 173048013 /nfs/dbraw/zinc/04/80/13/173048013.db2.gz XBUJKGRZZPHVEP-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN CC(C)c1ccccc1NCc1cc(F)ccc1F ZINC000037228294 173047984 /nfs/dbraw/zinc/04/79/84/173047984.db2.gz MUZHSYOVUUTISP-UHFFFAOYSA-N 0 0 261.315 4.700 10 0 CJAERN Fc1ccc(F)c(CNc2cc(Cl)cc(Cl)c2)c1 ZINC000037228314 173048212 /nfs/dbraw/zinc/04/82/12/173048212.db2.gz NQRFUMXHRQDCGY-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN CC(C)c1ccc(NCc2cc(F)ccc2F)cc1 ZINC000037228325 173048199 /nfs/dbraw/zinc/04/81/99/173048199.db2.gz WVMNIOPFGBTKRM-UHFFFAOYSA-N 0 0 261.315 4.700 10 0 CJAERN Fc1ccc(F)c(CNc2ccc(Cl)c(Cl)c2)c1 ZINC000037228332 173048039 /nfs/dbraw/zinc/04/80/39/173048039.db2.gz JMWYWVWFDOWLQN-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN CCCCCc1ccc(N[C@@H]2C[C@H]3CC=C[C@@H]32)cc1 ZINC000037231248 173050257 /nfs/dbraw/zinc/05/02/57/173050257.db2.gz VIDIXLFMCPWIOH-BPQIPLTHSA-N 0 0 255.405 4.796 10 0 CJAERN CCCCCc1ccc(N[C@@H]2C[C@@H]3CC=C[C@H]23)cc1 ZINC000037231250 173050255 /nfs/dbraw/zinc/05/02/55/173050255.db2.gz VIDIXLFMCPWIOH-RYQLBKOJSA-N 0 0 255.405 4.796 10 0 CJAERN CCCCc1ccc(N[C@@H](C)c2scnc2C)cc1 ZINC000037232714 173051715 /nfs/dbraw/zinc/05/17/15/173051715.db2.gz KINUHWDONSRHCM-ZDUSSCGKSA-N 0 0 274.433 4.967 10 0 CJAERN Cc1cc(Cl)ccc1NCc1cc(F)ccc1F ZINC000037233067 173052103 /nfs/dbraw/zinc/05/21/03/173052103.db2.gz JRZFXHBVYMQWCX-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN CC(C)c1cccc(NCc2cc(F)ccc2F)c1 ZINC000037233194 173052779 /nfs/dbraw/zinc/05/27/79/173052779.db2.gz YJZAOYRMAHDEQT-UHFFFAOYSA-N 0 0 261.315 4.700 10 0 CJAERN Cc1ccc(NCc2cc(F)ccc2F)c(Cl)c1 ZINC000037233359 173052638 /nfs/dbraw/zinc/05/26/38/173052638.db2.gz BQLOSGZWNKWJSG-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Oc1cccc(N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000037238028 173055587 /nfs/dbraw/zinc/05/55/87/173055587.db2.gz PHEAOJPNUWUIQV-MRXNPFEDSA-N 0 0 273.763 4.609 10 0 CJAERN Oc1cccc(N[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000037238030 173055085 /nfs/dbraw/zinc/05/50/85/173055085.db2.gz PHEAOJPNUWUIQV-INIZCTEOSA-N 0 0 273.763 4.609 10 0 CJAERN CC(C)(C)n1cc(CNc2cccc(Cl)c2Cl)cn1 ZINC000037243786 173058946 /nfs/dbraw/zinc/05/89/46/173058946.db2.gz IJSJZMDRJYAWDA-UHFFFAOYSA-N 0 0 298.217 4.557 10 0 CJAERN Cc1ccc(NCc2cc(C)c(C)cc2C)c(F)c1 ZINC000037244033 173059741 /nfs/dbraw/zinc/05/97/41/173059741.db2.gz YNAGOKUVQBDFOU-UHFFFAOYSA-N 0 0 257.352 4.671 10 0 CJAERN Cc1ccc(CNc2ccc(F)c(Cl)c2)cc1C ZINC000037244415 173059411 /nfs/dbraw/zinc/05/94/11/173059411.db2.gz RSIRXFOFNAJZFG-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1ccc(N[C@@H]2CCc3ccccc3C2)c(Cl)c1 ZINC000037245209 173059766 /nfs/dbraw/zinc/05/97/66/173059766.db2.gz CAMZUCOPYAFMSI-OAHLLOKOSA-N 0 0 271.791 4.618 10 0 CJAERN Cc1ccc(N[C@H]2CCc3ccccc3C2)c(Cl)c1 ZINC000037245212 173059743 /nfs/dbraw/zinc/05/97/43/173059743.db2.gz CAMZUCOPYAFMSI-HNNXBMFYSA-N 0 0 271.791 4.618 10 0 CJAERN Cc1ccc(NCc2ccc(C)c(C)c2)c(Cl)c1 ZINC000037245241 173059311 /nfs/dbraw/zinc/05/93/11/173059311.db2.gz ANTMJWKVBISJCG-UHFFFAOYSA-N 0 0 259.780 4.877 10 0 CJAERN COc1ccc(CNc2ccc(C)cc2Cl)cc1C ZINC000037245267 173059641 /nfs/dbraw/zinc/05/96/41/173059641.db2.gz CPPCGKSMDSESAU-UHFFFAOYSA-N 0 0 275.779 4.578 10 0 CJAERN Cc1ccc(CNc2cccc(Cl)c2F)cc1C ZINC000037246499 173060407 /nfs/dbraw/zinc/06/04/07/173060407.db2.gz CZWIBJNDXXZYBG-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Fc1c(Cl)cccc1N[C@H]1CSCc2ccccc21 ZINC000037246632 173060470 /nfs/dbraw/zinc/06/04/70/173060470.db2.gz LIUVAUNWJKFCEI-AWEZNQCLSA-N 0 0 293.794 4.879 10 0 CJAERN Fc1c(Cl)cccc1N[C@@H]1CSCc2ccccc21 ZINC000037246634 173060464 /nfs/dbraw/zinc/06/04/64/173060464.db2.gz LIUVAUNWJKFCEI-CQSZACIVSA-N 0 0 293.794 4.879 10 0 CJAERN FC(F)(F)c1cnc(NCC2CCCCC2)c(Cl)c1 ZINC000037247297 173060212 /nfs/dbraw/zinc/06/02/12/173060212.db2.gz BWNQOFBNDFHTGU-UHFFFAOYSA-N 0 0 292.732 4.746 10 0 CJAERN Clc1ccc2c(c1)nccc2NCC1CCCCC1 ZINC000037247302 173060129 /nfs/dbraw/zinc/06/01/29/173060129.db2.gz UHJDDHQIMSMTIO-UHFFFAOYSA-N 0 0 274.795 4.880 10 0 CJAERN Cc1ccc(CNc2ccc(F)cc2Cl)cc1C ZINC000037250295 173062197 /nfs/dbraw/zinc/06/21/97/173062197.db2.gz UXAWTAMXBRVYAB-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN FC(F)(F)c1cc(N[C@@H]2C[C@H]3CC=C[C@@H]32)ccc1Cl ZINC000037250761 173062768 /nfs/dbraw/zinc/06/27/68/173062768.db2.gz UINRMBVFBDRIAB-DFAYQTQMSA-N 0 0 287.712 4.735 10 0 CJAERN FC(F)(F)c1cc(N[C@@H]2C[C@@H]3CC=C[C@H]23)ccc1Cl ZINC000037250765 173062991 /nfs/dbraw/zinc/06/29/91/173062991.db2.gz UINRMBVFBDRIAB-GMOODISLSA-N 0 0 287.712 4.735 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2nc3cccc(Cl)c3s2)C1 ZINC000037256524 173067610 /nfs/dbraw/zinc/06/76/10/173067610.db2.gz NNKDLLJOZYXFHD-ZJUUUORDSA-N 0 0 280.824 4.940 10 0 CJAERN C[C@H]1CCC[C@H](Nc2nc3cccc(Cl)c3s2)C1 ZINC000037256526 173067579 /nfs/dbraw/zinc/06/75/79/173067579.db2.gz NNKDLLJOZYXFHD-UWVGGRQHSA-N 0 0 280.824 4.940 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2nc3cccc(Cl)c3s2)C1 ZINC000037256528 173067694 /nfs/dbraw/zinc/06/76/94/173067694.db2.gz NNKDLLJOZYXFHD-NXEZZACHSA-N 0 0 280.824 4.940 10 0 CJAERN C[C@H]1CCC[C@@H](Nc2nc3cccc(Cl)c3s2)C1 ZINC000037256530 173067486 /nfs/dbraw/zinc/06/74/86/173067486.db2.gz NNKDLLJOZYXFHD-VHSXEESVSA-N 0 0 280.824 4.940 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2nc3cc(Cl)ccc3s2)C1 ZINC000037256556 173067656 /nfs/dbraw/zinc/06/76/56/173067656.db2.gz ALSVFXXUWCBQDE-KOLCDFICSA-N 0 0 280.824 4.940 10 0 CJAERN C[C@H]1CCC[C@H](Nc2nc3cc(Cl)ccc3s2)C1 ZINC000037256558 173068005 /nfs/dbraw/zinc/06/80/05/173068005.db2.gz ALSVFXXUWCBQDE-ONGXEEELSA-N 0 0 280.824 4.940 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2nc3cc(Cl)ccc3s2)C1 ZINC000037256560 173067444 /nfs/dbraw/zinc/06/74/44/173067444.db2.gz ALSVFXXUWCBQDE-MWLCHTKSSA-N 0 0 280.824 4.940 10 0 CJAERN C[C@H]1CCC[C@@H](Nc2nc3cc(Cl)ccc3s2)C1 ZINC000037256562 173067575 /nfs/dbraw/zinc/06/75/75/173067575.db2.gz ALSVFXXUWCBQDE-GXSJLCMTSA-N 0 0 280.824 4.940 10 0 CJAERN Cc1ccc(CNc2cc(Cl)ccc2F)cc1C ZINC000037256779 173067845 /nfs/dbraw/zinc/06/78/45/173067845.db2.gz YCMRWFDZIRIZKB-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Clc1cccc2nc(NCC3CCCC3)sc21 ZINC000037258894 173068917 /nfs/dbraw/zinc/06/89/17/173068917.db2.gz XQVUWNFIKFEZPP-UHFFFAOYSA-N 0 0 266.797 4.552 10 0 CJAERN Clc1ccc2sc(NCC3CCCC3)nc2c1 ZINC000037258902 173069220 /nfs/dbraw/zinc/06/92/20/173069220.db2.gz VMPWGHOHDICGLR-UHFFFAOYSA-N 0 0 266.797 4.552 10 0 CJAERN Clc1cccc2nc(NCC3CCCCC3)sc21 ZINC000037259955 173069990 /nfs/dbraw/zinc/06/99/90/173069990.db2.gz KXXDKZCJLBDBRI-UHFFFAOYSA-N 0 0 280.824 4.942 10 0 CJAERN CCCCCC(CCCCC)Nc1cnn(CC)c1 ZINC000037261209 173070555 /nfs/dbraw/zinc/07/05/55/173070555.db2.gz UWXFJVXFPPKXNX-UHFFFAOYSA-N 0 0 265.445 4.844 10 0 CJAERN CC[C@H](Nc1c(C)n[nH]c1C)c1ccc(Cl)c(Cl)c1 ZINC000037261596 173071562 /nfs/dbraw/zinc/07/15/62/173071562.db2.gz SKKYWCHOVYQQBO-ZDUSSCGKSA-N 0 0 298.217 4.897 10 0 CJAERN CC[C@@H](Nc1c(C)n[nH]c1C)c1ccc(Cl)c(Cl)c1 ZINC000037261597 173071202 /nfs/dbraw/zinc/07/12/02/173071202.db2.gz SKKYWCHOVYQQBO-CYBMUJFWSA-N 0 0 298.217 4.897 10 0 CJAERN CC(C)C[C@@H](C)Nc1ncc(C(F)(F)F)cc1Cl ZINC000037265114 173074101 /nfs/dbraw/zinc/07/41/01/173074101.db2.gz WNPUXHUYLVLIAZ-MRVPVSSYSA-N 0 0 280.721 4.600 10 0 CJAERN CC(C)C[C@H](C)Nc1ncc(C(F)(F)F)cc1Cl ZINC000037265115 173073808 /nfs/dbraw/zinc/07/38/08/173073808.db2.gz WNPUXHUYLVLIAZ-QMMMGPOBSA-N 0 0 280.721 4.600 10 0 CJAERN CC(C)C[C@@H](C)Nc1nc2cccc(Cl)c2s1 ZINC000037265276 173073778 /nfs/dbraw/zinc/07/37/78/173073778.db2.gz AEWIOVONBZYZAP-SECBINFHSA-N 0 0 268.813 4.796 10 0 CJAERN CC(C)C[C@H](C)Nc1nc2cccc(Cl)c2s1 ZINC000037265277 173074033 /nfs/dbraw/zinc/07/40/33/173074033.db2.gz AEWIOVONBZYZAP-VIFPVBQESA-N 0 0 268.813 4.796 10 0 CJAERN CC(C)C[C@@H](C)Nc1nc2cc(Cl)ccc2s1 ZINC000037265284 173074114 /nfs/dbraw/zinc/07/41/14/173074114.db2.gz JTNSOUGQXAMAAC-SECBINFHSA-N 0 0 268.813 4.796 10 0 CJAERN CC(C)C[C@H](C)Nc1nc2cc(Cl)ccc2s1 ZINC000037265285 173074158 /nfs/dbraw/zinc/07/41/58/173074158.db2.gz JTNSOUGQXAMAAC-VIFPVBQESA-N 0 0 268.813 4.796 10 0 CJAERN CC(C)[C@H](Nc1ccc(N(C)C)cc1)c1cccs1 ZINC000037270168 173082550 /nfs/dbraw/zinc/08/25/50/173082550.db2.gz XOPVCMUSUVOJQF-INIZCTEOSA-N 0 0 274.433 4.623 10 0 CJAERN CC(C)[C@@H](Nc1ccc(N(C)C)cc1)c1cccs1 ZINC000037270170 173081993 /nfs/dbraw/zinc/08/19/93/173081993.db2.gz XOPVCMUSUVOJQF-MRXNPFEDSA-N 0 0 274.433 4.623 10 0 CJAERN FC(F)(F)Sc1ccccc1N[C@@H]1C[C@H]2CC=C[C@@H]21 ZINC000037274064 173086364 /nfs/dbraw/zinc/08/63/64/173086364.db2.gz XIPJSJZVTSVMND-JFGNBEQYSA-N 0 0 285.334 4.675 10 0 CJAERN FC(F)(F)Sc1ccccc1N[C@@H]1C[C@@H]2CC=C[C@H]12 ZINC000037274068 173086380 /nfs/dbraw/zinc/08/63/80/173086380.db2.gz XIPJSJZVTSVMND-JBLDHEPKSA-N 0 0 285.334 4.675 10 0 CJAERN COCc1ccccc1N[C@H](c1cccs1)C(C)C ZINC000037274895 173086961 /nfs/dbraw/zinc/08/69/61/173086961.db2.gz UUBQGTKRPAKYSV-INIZCTEOSA-N 0 0 275.417 4.704 10 0 CJAERN COCc1ccccc1N[C@@H](c1cccs1)C(C)C ZINC000037274897 173087266 /nfs/dbraw/zinc/08/72/66/173087266.db2.gz UUBQGTKRPAKYSV-MRXNPFEDSA-N 0 0 275.417 4.704 10 0 CJAERN CCCC[C@@H](C)Nc1ccc(OC)cc1C(F)(F)F ZINC000037275153 173087006 /nfs/dbraw/zinc/08/70/06/173087006.db2.gz QPCXCXGHFQZVFK-SNVBAGLBSA-N 0 0 275.314 4.705 10 0 CJAERN CCCC[C@H](C)Nc1ccc(OC)cc1C(F)(F)F ZINC000037275156 173087406 /nfs/dbraw/zinc/08/74/06/173087406.db2.gz QPCXCXGHFQZVFK-JTQLQIEISA-N 0 0 275.314 4.705 10 0 CJAERN CCCC[C@@H](C)Nc1cc(NC(=O)CC)ccc1Cl ZINC000037275697 173087440 /nfs/dbraw/zinc/08/74/40/173087440.db2.gz MFSXSLUNIADNTG-LLVKDONJSA-N 0 0 282.815 4.679 10 0 CJAERN CCCC[C@H](C)Nc1cc(NC(=O)CC)ccc1Cl ZINC000037275699 173087736 /nfs/dbraw/zinc/08/77/36/173087736.db2.gz MFSXSLUNIADNTG-NSHDSACASA-N 0 0 282.815 4.679 10 0 CJAERN CC[C@H](Nc1ccc(N(C)C(C)C)c(F)c1)C(C)C ZINC000037275807 173087695 /nfs/dbraw/zinc/08/76/95/173087695.db2.gz XBUUMXTXLRYJSW-HNNXBMFYSA-N 0 0 266.404 4.517 10 0 CJAERN CC[C@@H](Nc1ccc(N(C)C(C)C)c(F)c1)C(C)C ZINC000037275809 173087080 /nfs/dbraw/zinc/08/70/80/173087080.db2.gz XBUUMXTXLRYJSW-OAHLLOKOSA-N 0 0 266.404 4.517 10 0 CJAERN CC[C@H](Nc1cc(C(C)(C)C)ccc1OC)C(C)C ZINC000037277624 173087947 /nfs/dbraw/zinc/08/79/47/173087947.db2.gz UPXVRCRLBCHSQB-AWEZNQCLSA-N 0 0 263.425 4.839 10 0 CJAERN CC[C@@H](Nc1cc(C(C)(C)C)ccc1OC)C(C)C ZINC000037277625 173088283 /nfs/dbraw/zinc/08/82/83/173088283.db2.gz UPXVRCRLBCHSQB-CQSZACIVSA-N 0 0 263.425 4.839 10 0 CJAERN C[C@H](Nc1cccc2cnccc21)C1CCCCC1 ZINC000037277682 173088139 /nfs/dbraw/zinc/08/81/39/173088139.db2.gz DBRBRWIZFCDSQH-ZDUSSCGKSA-N 0 0 254.377 4.616 10 0 CJAERN C[C@@H](Nc1cccc2cnccc21)C1CCCCC1 ZINC000037277684 173088144 /nfs/dbraw/zinc/08/81/44/173088144.db2.gz DBRBRWIZFCDSQH-CYBMUJFWSA-N 0 0 254.377 4.616 10 0 CJAERN CCCC[C@@H](C)Nc1ccc(N2CCCC2)cc1C ZINC000037278265 173088386 /nfs/dbraw/zinc/08/83/86/173088386.db2.gz YVUPWAWEPQDZLK-OAHLLOKOSA-N 0 0 260.425 4.586 10 0 CJAERN CCCC[C@H](C)Nc1ccc(N2CCCC2)cc1C ZINC000037278267 173088564 /nfs/dbraw/zinc/08/85/64/173088564.db2.gz YVUPWAWEPQDZLK-HNNXBMFYSA-N 0 0 260.425 4.586 10 0 CJAERN Cc1nc2ccc(N[C@@H](C)C3CCCCC3)cc2s1 ZINC000037278431 173088002 /nfs/dbraw/zinc/08/80/02/173088002.db2.gz DNJNWZUWFVREBR-NSHDSACASA-N 0 0 274.433 4.985 10 0 CJAERN Cc1nc2ccc(N[C@H](C)C3CCCCC3)cc2s1 ZINC000037278433 173087951 /nfs/dbraw/zinc/08/79/51/173087951.db2.gz DNJNWZUWFVREBR-LLVKDONJSA-N 0 0 274.433 4.985 10 0 CJAERN Cc1nc2ccc(N[C@H](C)c3scnc3C)cc2s1 ZINC000037278488 173088157 /nfs/dbraw/zinc/08/81/57/173088157.db2.gz IKCQNVOZBLUBBJ-SECBINFHSA-N 0 0 289.429 4.543 10 0 CJAERN Cc1nc2ccc(N[C@@H](C)c3scnc3C)cc2s1 ZINC000037278490 173087979 /nfs/dbraw/zinc/08/79/79/173087979.db2.gz IKCQNVOZBLUBBJ-VIFPVBQESA-N 0 0 289.429 4.543 10 0 CJAERN CSc1ccccc1NCc1cc(C)c(C)cc1C ZINC000037279133 173088265 /nfs/dbraw/zinc/08/82/65/173088265.db2.gz WQPDJGPGWOIBCU-UHFFFAOYSA-N 0 0 271.429 4.946 10 0 CJAERN CSc1ccccc1NCc1ccc(C)c(C)c1 ZINC000037279168 173088107 /nfs/dbraw/zinc/08/81/07/173088107.db2.gz KNEBOXCJAJEMNB-UHFFFAOYSA-N 0 0 257.402 4.637 10 0 CJAERN CCCc1ccc(Nc2ccc(N)cc2Cl)cc1 ZINC000037287400 173093383 /nfs/dbraw/zinc/09/33/83/173093383.db2.gz GMYFGZPXEKOAMF-UHFFFAOYSA-N 0 0 260.768 4.618 10 0 CJAERN COc1ccc(C(=O)c2c(Cl)cccc2Cl)cc1C ZINC000037289089 173093659 /nfs/dbraw/zinc/09/36/59/173093659.db2.gz DUFHKYJOKBLUHW-UHFFFAOYSA-N 0 0 295.165 4.541 10 0 CJAERN COc1ccc(C(=O)c2cccc(Cl)c2Cl)cc1C ZINC000037289092 173093781 /nfs/dbraw/zinc/09/37/81/173093781.db2.gz RTHNGSCHNXVDOD-UHFFFAOYSA-N 0 0 295.165 4.541 10 0 CJAERN COc1ccc(C(=O)c2cc(Cl)cc(Cl)c2)cc1C ZINC000037289111 173093851 /nfs/dbraw/zinc/09/38/51/173093851.db2.gz PICGCALEVXKACX-UHFFFAOYSA-N 0 0 295.165 4.541 10 0 CJAERN COc1ccc(NC(CC(C)C)CC(C)C)cc1F ZINC000037290202 173095536 /nfs/dbraw/zinc/09/55/36/173095536.db2.gz RZJZLQRNKNSZSR-UHFFFAOYSA-N 0 0 267.388 4.707 10 0 CJAERN Cc1ccc(CNc2ccc(Cl)cc2F)cc1C ZINC000037297275 173101045 /nfs/dbraw/zinc/10/10/45/173101045.db2.gz NSPSCRFGHFMTIX-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1ccc(CNc2ccc(Cl)c(F)c2)cc1C ZINC000037301012 173106212 /nfs/dbraw/zinc/10/62/12/173106212.db2.gz GQJLATWZBIDNPM-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Fc1cc(N[C@H]2CSCc3ccccc32)ccc1Cl ZINC000037301156 173107094 /nfs/dbraw/zinc/10/70/94/173107094.db2.gz UZXYFIVCZQEGBB-HNNXBMFYSA-N 0 0 293.794 4.879 10 0 CJAERN Fc1cc(N[C@@H]2CSCc3ccccc32)ccc1Cl ZINC000037301158 173107121 /nfs/dbraw/zinc/10/71/21/173107121.db2.gz UZXYFIVCZQEGBB-OAHLLOKOSA-N 0 0 293.794 4.879 10 0 CJAERN CC(=O)c1ccc(O)c(CSc2ccccc2Cl)c1 ZINC000037313609 173115867 /nfs/dbraw/zinc/11/58/67/173115867.db2.gz CLLIIXKXWVOAFO-UHFFFAOYSA-N 0 0 292.787 4.541 10 0 CJAERN COc1c(C)ccc(N[C@@H](C)C2CCCCC2)c1C ZINC000037315560 173116680 /nfs/dbraw/zinc/11/66/80/173116680.db2.gz LVRGKNLILWOBQO-AWEZNQCLSA-N 0 0 261.409 4.693 10 0 CJAERN COc1c(C)ccc(N[C@H](C)C2CCCCC2)c1C ZINC000037315561 173116558 /nfs/dbraw/zinc/11/65/58/173116558.db2.gz LVRGKNLILWOBQO-CQSZACIVSA-N 0 0 261.409 4.693 10 0 CJAERN Oc1ccc(N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000037316847 173117303 /nfs/dbraw/zinc/11/73/03/173117303.db2.gz CJNICRINRYJKKI-MRXNPFEDSA-N 0 0 273.763 4.609 10 0 CJAERN Oc1ccc(N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000037316848 173117766 /nfs/dbraw/zinc/11/77/66/173117766.db2.gz CJNICRINRYJKKI-INIZCTEOSA-N 0 0 273.763 4.609 10 0 CJAERN Oc1ccc(NC(c2cccs2)c2cccs2)cc1 ZINC000037316870 173117170 /nfs/dbraw/zinc/11/71/70/173117170.db2.gz SSRGHDITFSUCIP-UHFFFAOYSA-N 0 0 287.409 4.717 10 0 CJAERN Oc1ccc(NCc2cc(-c3cccs3)cs2)cc1 ZINC000037316894 173117385 /nfs/dbraw/zinc/11/73/85/173117385.db2.gz FNTYLCGBAZIEFB-UHFFFAOYSA-N 0 0 287.409 4.794 10 0 CJAERN C[C@@H]1CCCC[C@@H]1n1c(-c2ccccc2)c[nH]c1=S ZINC000037325309 173125389 /nfs/dbraw/zinc/12/53/89/173125389.db2.gz SEBURFYUACBPLR-OCCSQVGLSA-N 0 0 272.417 4.964 10 0 CJAERN C[C@H]1CCCC[C@@H]1n1c(-c2ccccc2)c[nH]c1=S ZINC000037325310 173125672 /nfs/dbraw/zinc/12/56/72/173125672.db2.gz SEBURFYUACBPLR-JSGCOSHPSA-N 0 0 272.417 4.964 10 0 CJAERN C[C@@H]1CCCC[C@H]1n1c(-c2ccccc2)c[nH]c1=S ZINC000037325311 173125616 /nfs/dbraw/zinc/12/56/16/173125616.db2.gz SEBURFYUACBPLR-TZMCWYRMSA-N 0 0 272.417 4.964 10 0 CJAERN C[C@H]1CCCC[C@H]1n1c(-c2ccccc2)c[nH]c1=S ZINC000037325312 173125572 /nfs/dbraw/zinc/12/55/72/173125572.db2.gz SEBURFYUACBPLR-GXTWGEPZSA-N 0 0 272.417 4.964 10 0 CJAERN CC1CCC(n2c(-c3ccccc3)c[nH]c2=S)CC1 ZINC000037325315 173125580 /nfs/dbraw/zinc/12/55/80/173125580.db2.gz NOUXHIAFZXONQT-UHFFFAOYSA-N 0 0 272.417 4.964 10 0 CJAERN CCC(C)(C)OCc1nc2sc(C)c(C)c2c(Cl)n1 ZINC000037328419 173129369 /nfs/dbraw/zinc/12/93/69/173129369.db2.gz SMTIOJIJQQQWKE-UHFFFAOYSA-N 0 0 298.839 4.667 10 0 CJAERN CC(C)(C)c1ccc(Sc2ccc(N)cc2F)cc1 ZINC000037333152 173134263 /nfs/dbraw/zinc/13/42/63/173134263.db2.gz SXEZJPWHPMMHHA-UHFFFAOYSA-N 0 0 275.392 4.857 10 0 CJAERN CCC(=O)c1ccc(-c2cccc3cccnc32)s1 ZINC000037335309 173136448 /nfs/dbraw/zinc/13/64/48/173136448.db2.gz HKGDGXGUCAVXRN-UHFFFAOYSA-N 0 0 267.353 4.556 10 0 CJAERN CCCC(=O)c1ccc(-c2ccc(F)c(F)c2F)s1 ZINC000037335362 173136898 /nfs/dbraw/zinc/13/68/98/173136898.db2.gz RTLJYPPFIKLARR-UHFFFAOYSA-N 0 0 284.302 4.815 10 0 CJAERN Cc1ccc(-c2cc3ncnc(Cl)c3s2)c(C)c1 ZINC000037337874 173138151 /nfs/dbraw/zinc/13/81/51/173138151.db2.gz NCEXCJPJTAZNTO-UHFFFAOYSA-N 0 0 274.776 4.629 10 0 CJAERN Cc1ccc(-c2cc3ncnc(Cl)c3s2)cc1C ZINC000037337913 173139383 /nfs/dbraw/zinc/13/93/83/173139383.db2.gz LQNTTXYYGDIGHJ-UHFFFAOYSA-N 0 0 274.776 4.629 10 0 CJAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)c1cc(C)sc1C ZINC000037342349 173142457 /nfs/dbraw/zinc/14/24/57/173142457.db2.gz GIHGNQOMSRVKFL-CJNGLKHVSA-N 0 0 280.433 4.533 10 0 CJAERN CC[C@H]1CCCC[C@H]1OCC(=O)c1cc(C)sc1C ZINC000037342352 173142364 /nfs/dbraw/zinc/14/23/64/173142364.db2.gz GIHGNQOMSRVKFL-XJKSGUPXSA-N 0 0 280.433 4.533 10 0 CJAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)c1cccc(Cl)c1 ZINC000037342377 173142302 /nfs/dbraw/zinc/14/23/02/173142302.db2.gz DUDVAQOUAUPJIX-WBMJQRKESA-N 0 0 280.795 4.508 10 0 CJAERN CC[C@H]1CCCC[C@H]1OCC(=O)c1cccc(Cl)c1 ZINC000037342380 173142329 /nfs/dbraw/zinc/14/23/29/173142329.db2.gz DUDVAQOUAUPJIX-BLLLJJGKSA-N 0 0 280.795 4.508 10 0 CJAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)c1ccc(Cl)cc1 ZINC000037342429 173142185 /nfs/dbraw/zinc/14/21/85/173142185.db2.gz LHUQGIGPSQNSCY-WBMJQRKESA-N 0 0 280.795 4.508 10 0 CJAERN CC[C@H]1CCCC[C@@H]1OCC(=O)c1ccc(Cl)cc1 ZINC000037342430 173142433 /nfs/dbraw/zinc/14/24/33/173142433.db2.gz LHUQGIGPSQNSCY-LRDDRELGSA-N 0 0 280.795 4.508 10 0 CJAERN CC[C@@H]1CCCC[C@H]1OCC(=O)c1ccc(Cl)cc1 ZINC000037342431 173142601 /nfs/dbraw/zinc/14/26/01/173142601.db2.gz LHUQGIGPSQNSCY-MLGOLLRUSA-N 0 0 280.795 4.508 10 0 CJAERN CC[C@H]1CCCC[C@H]1OCC(=O)c1ccc(Cl)cc1 ZINC000037342432 173142334 /nfs/dbraw/zinc/14/23/34/173142334.db2.gz LHUQGIGPSQNSCY-BLLLJJGKSA-N 0 0 280.795 4.508 10 0 CJAERN Cc1cccc(O[C@@H](C)C(=O)c2ccc(Cl)s2)c1C ZINC000037347305 173144093 /nfs/dbraw/zinc/14/40/93/173144093.db2.gz PUDKDCPGILNPLA-NSHDSACASA-N 0 0 294.803 4.669 10 0 CJAERN Cc1cccc(O[C@H](C)C(=O)c2ccc(Cl)s2)c1C ZINC000037347307 173143659 /nfs/dbraw/zinc/14/36/59/173143659.db2.gz PUDKDCPGILNPLA-LLVKDONJSA-N 0 0 294.803 4.669 10 0 CJAERN Cc1cc(C)cc(O[C@@H](C)C(=O)c2ccc(Cl)s2)c1 ZINC000037347493 173143749 /nfs/dbraw/zinc/14/37/49/173143749.db2.gz CNNCZUDFFCHZGT-NSHDSACASA-N 0 0 294.803 4.669 10 0 CJAERN Cc1cc(C)cc(O[C@H](C)C(=O)c2ccc(Cl)s2)c1 ZINC000037347495 173143745 /nfs/dbraw/zinc/14/37/45/173143745.db2.gz CNNCZUDFFCHZGT-LLVKDONJSA-N 0 0 294.803 4.669 10 0 CJAERN Nc1n[nH]c(C2CCCC2)c1-c1c(Cl)cccc1Cl ZINC000037348188 173144281 /nfs/dbraw/zinc/14/42/81/173144281.db2.gz LQDXTLFUSPORSK-UHFFFAOYSA-N 0 0 296.201 4.623 10 0 CJAERN CCC(CC)c1[nH]nc(N)c1-c1c(Cl)cccc1Cl ZINC000037348198 173144007 /nfs/dbraw/zinc/14/40/07/173144007.db2.gz FETGVZOROZDMPS-UHFFFAOYSA-N 0 0 298.217 4.869 10 0 CJAERN CCCC[C@@H](CC)COCC(=O)c1ccc(CC)s1 ZINC000037349023 173144273 /nfs/dbraw/zinc/14/42/73/173144273.db2.gz HXHPWCBHHDZDLJ-CYBMUJFWSA-N 0 0 282.449 4.726 10 0 CJAERN CCCC[C@H](CC)COCC(=O)c1ccc(CC)s1 ZINC000037349025 173143877 /nfs/dbraw/zinc/14/38/77/173143877.db2.gz HXHPWCBHHDZDLJ-ZDUSSCGKSA-N 0 0 282.449 4.726 10 0 CJAERN CC(C)CCc1[nH]nc(N)c1-c1ccc(Cl)cc1Cl ZINC000037349066 173144304 /nfs/dbraw/zinc/14/43/04/173144304.db2.gz IYBKLKSKNNJUEZ-UHFFFAOYSA-N 0 0 298.217 4.554 10 0 CJAERN CC(C)(C)Cc1[nH]nc(N)c1-c1ccc(Cl)cc1Cl ZINC000037349070 173144339 /nfs/dbraw/zinc/14/43/39/173144339.db2.gz CRRIKKVTEXFJOE-UHFFFAOYSA-N 0 0 298.217 4.554 10 0 CJAERN Nc1onc(C2CCCC2)c1-c1c(Cl)cccc1Cl ZINC000037349694 173144450 /nfs/dbraw/zinc/14/44/50/173144450.db2.gz JFGUCDSYQICMTD-UHFFFAOYSA-N 0 0 297.185 4.888 10 0 CJAERN CC(C)CCc1noc(N)c1-c1c(Cl)cccc1Cl ZINC000037349699 173144731 /nfs/dbraw/zinc/14/47/31/173144731.db2.gz BFHXXPTWSYPYCI-UHFFFAOYSA-N 0 0 299.201 4.819 10 0 CJAERN CCC[C@@H](C)c1noc(N)c1-c1c(F)cccc1Cl ZINC000037349958 173144934 /nfs/dbraw/zinc/14/49/34/173144934.db2.gz NSPDDDLQZCAPIL-MRVPVSSYSA-N 0 0 282.746 4.620 10 0 CJAERN CCC[C@H](C)c1noc(N)c1-c1c(F)cccc1Cl ZINC000037349960 173144590 /nfs/dbraw/zinc/14/45/90/173144590.db2.gz NSPDDDLQZCAPIL-QMMMGPOBSA-N 0 0 282.746 4.620 10 0 CJAERN CC(C)CCc1noc(N)c1-c1ccc(Cl)cc1Cl ZINC000037350564 173144601 /nfs/dbraw/zinc/14/46/01/173144601.db2.gz NDKHVIPIKSHFRI-UHFFFAOYSA-N 0 0 299.201 4.819 10 0 CJAERN Cc1ccc(C)c(C(=O)Cc2c(F)cccc2Cl)c1 ZINC000037353515 173146044 /nfs/dbraw/zinc/14/60/44/173146044.db2.gz JOOWJFIAMDBQGD-UHFFFAOYSA-N 0 0 276.738 4.521 10 0 CJAERN Cc1ccc(C)c(C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000037353537 173146389 /nfs/dbraw/zinc/14/63/89/173146389.db2.gz RETDOFNQXNNILB-UHFFFAOYSA-N 0 0 279.166 4.841 10 0 CJAERN Cc1ccc(C)c(C(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000037353627 173146141 /nfs/dbraw/zinc/14/61/41/173146141.db2.gz BGFXIVKXSIKATG-UHFFFAOYSA-N 0 0 279.166 4.841 10 0 CJAERN Cc1cc(C)c(C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c(C)c1 ZINC000037354279 173147061 /nfs/dbraw/zinc/14/70/61/173147061.db2.gz RQZVBIGWSOEFSN-XHSDSOJGSA-N 0 0 256.389 4.621 10 0 CJAERN Cc1cc(C)c(C(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)c(C)c1 ZINC000037354281 173147027 /nfs/dbraw/zinc/14/70/27/173147027.db2.gz RQZVBIGWSOEFSN-ARFHVFGLSA-N 0 0 256.389 4.621 10 0 CJAERN CC[C@@H](C)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000037354507 173147131 /nfs/dbraw/zinc/14/71/31/173147131.db2.gz DZZOJWYDSAKRTB-CYBMUJFWSA-N 0 0 254.329 4.708 10 0 CJAERN CC[C@H](C)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000037354509 173146782 /nfs/dbraw/zinc/14/67/82/173146782.db2.gz DZZOJWYDSAKRTB-ZDUSSCGKSA-N 0 0 254.329 4.708 10 0 CJAERN O=C(c1ccc(Oc2ccccc2)cc1)C1CCCC1 ZINC000037354520 173146877 /nfs/dbraw/zinc/14/68/77/173146877.db2.gz MQAZOPMEKKICFT-UHFFFAOYSA-N 0 0 266.340 4.852 10 0 CJAERN CC(C)CC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000037354523 173147043 /nfs/dbraw/zinc/14/70/43/173147043.db2.gz RJZUVATXBRSMIE-UHFFFAOYSA-N 0 0 254.329 4.708 10 0 CJAERN CC(C)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000037354699 173146958 /nfs/dbraw/zinc/14/69/58/173146958.db2.gz NHXYKIOYWGCGOA-UHFFFAOYSA-N 0 0 252.357 4.973 10 0 CJAERN Cc1cccc(C(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000037354717 173146835 /nfs/dbraw/zinc/14/68/35/173146835.db2.gz MYYLFDRHMOSOJJ-UHFFFAOYSA-N 0 0 272.347 4.893 10 0 CJAERN O=C(c1ccc(-c2ccccc2)cc1)C1CCCC1 ZINC000037354727 173146726 /nfs/dbraw/zinc/14/67/26/173146726.db2.gz VUBPPMBKGNEPRL-UHFFFAOYSA-N 0 0 250.341 4.727 10 0 CJAERN O=C(c1ccc(-c2ccccc2)cc1)c1ccccc1F ZINC000037354731 173146973 /nfs/dbraw/zinc/14/69/73/173146973.db2.gz NNIALUUXPNVPRJ-UHFFFAOYSA-N 0 0 276.310 4.724 10 0 CJAERN Cc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000037356738 173147792 /nfs/dbraw/zinc/14/77/92/173147792.db2.gz CNYAIAGQIOSNMH-UHFFFAOYSA-N 0 0 279.166 4.841 10 0 CJAERN CCCC[C@@H](CC)C(=O)c1ccc2c(c1)CCCC2 ZINC000037357490 173147951 /nfs/dbraw/zinc/14/79/51/173147951.db2.gz CKYVCEHVVONFHB-CQSZACIVSA-N 0 0 258.405 4.965 10 0 CJAERN CCCC[C@H](CC)C(=O)c1ccc2c(c1)CCCC2 ZINC000037357493 173147505 /nfs/dbraw/zinc/14/75/05/173147505.db2.gz CKYVCEHVVONFHB-AWEZNQCLSA-N 0 0 258.405 4.965 10 0 CJAERN O=C(c1ccc(F)c(F)c1)c1cccc(Cl)c1Cl ZINC000037357815 173147912 /nfs/dbraw/zinc/14/79/12/173147912.db2.gz ZJYJSTSTOFWACH-UHFFFAOYSA-N 0 0 287.092 4.503 10 0 CJAERN O=C(c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000037357941 173147590 /nfs/dbraw/zinc/14/75/90/173147590.db2.gz XZUMSVDKXOELLE-UHFFFAOYSA-N 0 0 266.727 4.724 10 0 CJAERN CCc1ccc(C(=O)[C@@H](CC)c2ccccc2)cc1 ZINC000037358098 173147674 /nfs/dbraw/zinc/14/76/74/173147674.db2.gz GCIDSORXAZWWAK-KRWDZBQOSA-N 0 0 252.357 4.626 10 0 CJAERN CCc1ccc(C(=O)[C@H](CC)c2ccccc2)cc1 ZINC000037358101 173147896 /nfs/dbraw/zinc/14/78/96/173147896.db2.gz GCIDSORXAZWWAK-QGZVFWFLSA-N 0 0 252.357 4.626 10 0 CJAERN CCc1ccc(C(=O)c2cccc3ccccc32)cc1 ZINC000037358172 173147957 /nfs/dbraw/zinc/14/79/57/173147957.db2.gz KRWDBBDJTKUIJW-UHFFFAOYSA-N 0 0 260.336 4.633 10 0 CJAERN CCOc1ccc(C(=O)c2cccc(Cl)c2Cl)cc1 ZINC000037358324 173148308 /nfs/dbraw/zinc/14/83/08/173148308.db2.gz ZZOMESGQKBGTCJ-UHFFFAOYSA-N 0 0 295.165 4.623 10 0 CJAERN CCc1ccc(C(=O)c2cccc3ccccc32)s1 ZINC000037360089 173150283 /nfs/dbraw/zinc/15/02/83/173150283.db2.gz SMWTZPDOZIKREU-UHFFFAOYSA-N 0 0 266.365 4.695 10 0 CJAERN CCc1ccc(C(=O)c2ccccc2C(F)(F)F)s1 ZINC000037360109 173150335 /nfs/dbraw/zinc/15/03/35/173150335.db2.gz QFIYXUQYGDZOMC-UHFFFAOYSA-N 0 0 284.302 4.560 10 0 CJAERN O=C(c1ccc2c(c1)CCC2)c1ccc(Cl)cc1Cl ZINC000037360218 173150047 /nfs/dbraw/zinc/15/00/47/173150047.db2.gz CBOGLEDIHBETOJ-UHFFFAOYSA-N 0 0 291.177 4.713 10 0 CJAERN O=C(CCC1CCCCC1)c1ccc2c(c1)CCC2 ZINC000037360278 173150385 /nfs/dbraw/zinc/15/03/85/173150385.db2.gz SKNPFYMQRWMGLL-UHFFFAOYSA-N 0 0 256.389 4.719 10 0 CJAERN O=C(c1ccc2c(c1)CCC2)c1cc(Cl)ccc1Cl ZINC000037360296 173150338 /nfs/dbraw/zinc/15/03/38/173150338.db2.gz LYKBEXMTOCNOSK-UHFFFAOYSA-N 0 0 291.177 4.713 10 0 CJAERN O=C(c1ccc2c(c1)CCC2)c1cc(Cl)cc(Cl)c1 ZINC000037360338 173150141 /nfs/dbraw/zinc/15/01/41/173150141.db2.gz LGSFAJQMKVTZQX-UHFFFAOYSA-N 0 0 291.177 4.713 10 0 CJAERN CCCC[C@@H](CC)C(=O)c1c(C)[nH]c2ccccc21 ZINC000037361214 173151164 /nfs/dbraw/zinc/15/11/64/173151164.db2.gz VEFCEKMMSFXDPE-CYBMUJFWSA-N 0 0 257.377 4.875 10 0 CJAERN CCCC[C@H](CC)C(=O)c1c(C)[nH]c2ccccc21 ZINC000037361217 173150711 /nfs/dbraw/zinc/15/07/11/173150711.db2.gz VEFCEKMMSFXDPE-ZDUSSCGKSA-N 0 0 257.377 4.875 10 0 CJAERN O=C(c1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl ZINC000037361389 173151226 /nfs/dbraw/zinc/15/12/26/173151226.db2.gz UJNPSALSOXGLTQ-UHFFFAOYSA-N 0 0 290.149 4.706 10 0 CJAERN O=C(c1c[nH]c2ccccc12)c1cc(Cl)cc(Cl)c1 ZINC000037361524 173150802 /nfs/dbraw/zinc/15/08/02/173150802.db2.gz BTPKHJMJPLSQRI-UHFFFAOYSA-N 0 0 290.149 4.706 10 0 CJAERN Cc1cc(C(=O)c2ccc(C(F)(F)F)cc2)c(C)s1 ZINC000037361988 173151597 /nfs/dbraw/zinc/15/15/97/173151597.db2.gz HJOWMWWGCPHLRG-UHFFFAOYSA-N 0 0 284.302 4.615 10 0 CJAERN Cc1cc(C(=O)c2cccc(C(F)(F)F)c2)c(C)s1 ZINC000037362030 173151542 /nfs/dbraw/zinc/15/15/42/173151542.db2.gz CILYBSSDSWAPAQ-UHFFFAOYSA-N 0 0 284.302 4.615 10 0 CJAERN Cc1cc(C(=O)c2cccc3ccccc32)c(C)s1 ZINC000037362034 173151957 /nfs/dbraw/zinc/15/19/57/173151957.db2.gz LSZQJEIVEVRZLN-UHFFFAOYSA-N 0 0 266.365 4.749 10 0 CJAERN Cc1cc(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)s1 ZINC000037362047 173151591 /nfs/dbraw/zinc/15/15/91/173151591.db2.gz WJTQNBWRAJZOEU-UHFFFAOYSA-N 0 0 274.429 4.764 10 0 CJAERN Cc1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1C ZINC000037363133 173151913 /nfs/dbraw/zinc/15/19/13/173151913.db2.gz OOFOOWDNCQSCIE-UHFFFAOYSA-N 0 0 279.166 4.841 10 0 CJAERN Cc1ccc(CC(=O)c2csc3ccccc23)cc1 ZINC000037363282 173152606 /nfs/dbraw/zinc/15/26/06/173152606.db2.gz BWKJSOLQUKXSPR-UHFFFAOYSA-N 0 0 266.365 4.635 10 0 CJAERN O=C(c1csc2ccccc12)c1ccccc1Cl ZINC000037363304 173152686 /nfs/dbraw/zinc/15/26/86/173152686.db2.gz QXRXYWYECNEAPK-UHFFFAOYSA-N 0 0 272.756 4.786 10 0 CJAERN O=C(c1csc2ccccc12)c1ccc(Cl)cc1F ZINC000037363320 173153370 /nfs/dbraw/zinc/15/33/70/173153370.db2.gz ILESAFFKKVSKFA-UHFFFAOYSA-N 0 0 290.746 4.925 10 0 CJAERN O=C(c1csc2ccccc12)c1c(F)cccc1Cl ZINC000037363348 173152399 /nfs/dbraw/zinc/15/23/99/173152399.db2.gz ONQCQSGOTXFYFY-UHFFFAOYSA-N 0 0 290.746 4.925 10 0 CJAERN Cc1ccc(C(=O)c2csc3ccccc23)cc1C ZINC000037363362 173153191 /nfs/dbraw/zinc/15/31/91/173153191.db2.gz YHMLLNUBMCYFIT-UHFFFAOYSA-N 0 0 266.365 4.749 10 0 CJAERN Cc1ccc(C(=O)c2csc3ccccc23)cc1F ZINC000037363376 173153200 /nfs/dbraw/zinc/15/32/00/173153200.db2.gz JQRDUIKABZHOEH-UHFFFAOYSA-N 0 0 270.328 4.580 10 0 CJAERN Cc1ccc(C(=O)c2csc3ccccc23)c(C)c1 ZINC000037363386 173152791 /nfs/dbraw/zinc/15/27/91/173152791.db2.gz YACOSVBEOYXDJG-UHFFFAOYSA-N 0 0 266.365 4.749 10 0 CJAERN CCCCC(=O)c1cc(OCC)c(OCC)cc1Cl ZINC000037364811 173154032 /nfs/dbraw/zinc/15/40/32/173154032.db2.gz AFUUIAYXPDNEGD-UHFFFAOYSA-N 0 0 284.783 4.510 10 0 CJAERN O=C(CCC1CCCC1)c1c[nH]c2cc(Cl)ccc12 ZINC000037367885 173157845 /nfs/dbraw/zinc/15/78/45/173157845.db2.gz WOMKCJRGWWGWTM-UHFFFAOYSA-N 0 0 275.779 4.974 10 0 CJAERN Cc1cc(N)ccc1NCCc1ccc(Cl)cc1Cl ZINC000037371750 173160625 /nfs/dbraw/zinc/16/06/25/173160625.db2.gz GFURMMLVWGEREI-UHFFFAOYSA-N 0 0 295.213 4.539 10 0 CJAERN Cc1cc(N)ccc1Nc1ccccc1SC(F)F ZINC000037371778 173161033 /nfs/dbraw/zinc/16/10/33/173161033.db2.gz XGGZDEHBXKOVNM-UHFFFAOYSA-N 0 0 280.343 4.636 10 0 CJAERN Clc1nsnc1Nc1ccccc1-c1ccccc1 ZINC000037372067 173161372 /nfs/dbraw/zinc/16/13/72/173161372.db2.gz YKQNESMFCJDPPW-UHFFFAOYSA-N 0 0 287.775 4.602 10 0 CJAERN O[C@@]1(c2ccccc2)CCCC[C@@H]1C1CCCCC1 ZINC000037375738 173165505 /nfs/dbraw/zinc/16/55/05/173165505.db2.gz ZXMHSMPUQNDYOU-QZTJIDSGSA-N 0 0 258.405 4.645 10 0 CJAERN O[C@]1(c2ccccc2)CCCC[C@@H]1C1CCCCC1 ZINC000037375741 173164924 /nfs/dbraw/zinc/16/49/24/173164924.db2.gz ZXMHSMPUQNDYOU-MSOLQXFVSA-N 0 0 258.405 4.645 10 0 CJAERN O[C@@]1(c2ccccc2)CCCC[C@H]1C1CCCCC1 ZINC000037375744 173165261 /nfs/dbraw/zinc/16/52/61/173165261.db2.gz ZXMHSMPUQNDYOU-ZWKOTPCHSA-N 0 0 258.405 4.645 10 0 CJAERN O[C@]1(c2ccccc2)CCCC[C@H]1C1CCCCC1 ZINC000037375746 173165500 /nfs/dbraw/zinc/16/55/00/173165500.db2.gz ZXMHSMPUQNDYOU-ROUUACIJSA-N 0 0 258.405 4.645 10 0 CJAERN O=C(Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000037377406 173166359 /nfs/dbraw/zinc/16/63/59/173166359.db2.gz WUWOMOCXUVSFLK-UHFFFAOYSA-N 0 0 283.129 4.558 10 0 CJAERN Cc1ccc(CC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000037378061 173165998 /nfs/dbraw/zinc/16/59/98/173165998.db2.gz IDEICLGMWZUSAT-UHFFFAOYSA-N 0 0 279.166 4.727 10 0 CJAERN COc1cc(C(=O)c2cc(Cl)ccc2Cl)ccc1C ZINC000037378117 173166236 /nfs/dbraw/zinc/16/62/36/173166236.db2.gz BXWQRHDHDCGJKZ-UHFFFAOYSA-N 0 0 295.165 4.541 10 0 CJAERN Nc1c(Sc2ccc(Cl)cc2)ccc2ncccc12 ZINC000037378727 173167151 /nfs/dbraw/zinc/16/71/51/173167151.db2.gz UODCXTUPQOUQCM-UHFFFAOYSA-N 0 0 286.787 4.622 10 0 CJAERN O=C(Cc1ccc(F)cc1)c1cc(Cl)sc1Cl ZINC000037378817 173167361 /nfs/dbraw/zinc/16/73/61/173167361.db2.gz DOQIMODTUSPJOR-UHFFFAOYSA-N 0 0 289.158 4.619 10 0 CJAERN O=C(Cc1ccccc1F)c1cc(Cl)sc1Cl ZINC000037378820 173167254 /nfs/dbraw/zinc/16/72/54/173167254.db2.gz OMDLFMQOJMMYJI-UHFFFAOYSA-N 0 0 289.158 4.619 10 0 CJAERN Cc1ccccc1CC(=O)c1cc(Cl)sc1Cl ZINC000037378892 173167122 /nfs/dbraw/zinc/16/71/22/173167122.db2.gz RTQAMDNFTXFXLA-UHFFFAOYSA-N 0 0 285.195 4.789 10 0 CJAERN O=C(c1cc(Cl)sc1Cl)c1ccc(F)cc1F ZINC000037379011 173167041 /nfs/dbraw/zinc/16/70/41/173167041.db2.gz YFAXBUSXWJHLIA-UHFFFAOYSA-N 0 0 293.121 4.564 10 0 CJAERN Cc1ccc(C)c(Oc2ccc(Cl)cc2N)c1C ZINC000037382167 173167994 /nfs/dbraw/zinc/16/79/94/173167994.db2.gz UJSLDUQPOWGJBQ-UHFFFAOYSA-N 0 0 261.752 4.640 10 0 CJAERN CC(=O)c1ccccc1Oc1c(C)ccc(C)c1C ZINC000037382425 173167616 /nfs/dbraw/zinc/16/76/16/173167616.db2.gz UQLFFNFAJNXIMW-UHFFFAOYSA-N 0 0 254.329 4.607 10 0 CJAERN CC(=O)c1ccc(Oc2c(C)ccc(C)c2C)cc1 ZINC000037382431 173167742 /nfs/dbraw/zinc/16/77/42/173167742.db2.gz JYERAFXZRZCCQG-UHFFFAOYSA-N 0 0 254.329 4.607 10 0 CJAERN Cc1ccc(C)c(Oc2cccc(Cl)c2CO)c1C ZINC000037382506 173168117 /nfs/dbraw/zinc/16/81/17/173168117.db2.gz YBWAFNCKMDFGDQ-UHFFFAOYSA-N 0 0 276.763 4.550 10 0 CJAERN FC(F)(F)c1cnc(NC2CCCCCC2)c(Cl)c1 ZINC000037387322 173170653 /nfs/dbraw/zinc/17/06/53/173170653.db2.gz AGAAFSKWPMESFK-UHFFFAOYSA-N 0 0 292.732 4.889 10 0 CJAERN Cc1ccc(Nc2ccc(C(C)(C)C)cc2)c(N)c1 ZINC000037401353 173178517 /nfs/dbraw/zinc/17/85/17/173178517.db2.gz YEKVOGLFFGANIX-UHFFFAOYSA-N 0 0 254.377 4.618 10 0 CJAERN Cc1ccc(Nc2ccc(Cl)cc2Cl)c(N)c1 ZINC000037401355 173178334 /nfs/dbraw/zinc/17/83/34/173178334.db2.gz HZCRWRZWRAFIMF-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN Cc1ccc(Nc2ccccc2SC(F)F)c(N)c1 ZINC000037401365 173178300 /nfs/dbraw/zinc/17/83/00/173178300.db2.gz CRXXUQKZXNEBKL-UHFFFAOYSA-N 0 0 280.343 4.636 10 0 CJAERN Cc1ccc(Nc2cc(Cl)cc(Cl)c2)c(N)c1 ZINC000037401383 173178051 /nfs/dbraw/zinc/17/80/51/173178051.db2.gz ZUVDQAGIPCJMBK-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN Cc1ccc(Oc2ccccc2C(C)(C)C)c(N)c1 ZINC000037401504 173178297 /nfs/dbraw/zinc/17/82/97/173178297.db2.gz MAODLLINVRAGDY-UHFFFAOYSA-N 0 0 255.361 4.667 10 0 CJAERN Cc1ccc(Oc2ccc(C(C)C)c(C)c2)c(N)c1 ZINC000037401513 173178426 /nfs/dbraw/zinc/17/84/26/173178426.db2.gz FUVRUEMTKSEEAM-UHFFFAOYSA-N 0 0 255.361 4.801 10 0 CJAERN Cc1ccc(Sc2ccc(C(C)C)cc2)c(N)c1 ZINC000037401668 173178499 /nfs/dbraw/zinc/17/84/99/173178499.db2.gz WPJXVIKMISVYFC-UHFFFAOYSA-N 0 0 257.402 4.852 10 0 CJAERN CC(C)c1ccc(OCc2ccc(Cl)c(N)c2)cc1 ZINC000037402651 173178623 /nfs/dbraw/zinc/17/86/23/173178623.db2.gz UDKXXFPQYONKJE-UHFFFAOYSA-N 0 0 275.779 4.625 10 0 CJAERN Cc1ccc(SCc2ccc(Cl)c(N)c2)cc1 ZINC000037402911 173179450 /nfs/dbraw/zinc/17/94/50/173179450.db2.gz ZGFLKPIKLMLOCH-UHFFFAOYSA-N 0 0 263.793 4.523 10 0 CJAERN Cc1cc(Cl)cc(C)c1OCc1cc(N)ccc1Cl ZINC000037403246 173179567 /nfs/dbraw/zinc/17/95/67/173179567.db2.gz NIPSHLHEZPCPJV-UHFFFAOYSA-N 0 0 296.197 4.771 10 0 CJAERN CC(C)c1cccc(OCc2cc(N)ccc2Cl)c1 ZINC000037403266 173179636 /nfs/dbraw/zinc/17/96/36/173179636.db2.gz GKDUKXLBZJPKIE-UHFFFAOYSA-N 0 0 275.779 4.625 10 0 CJAERN C[C@@H]1C[C@H](OCc2cc(N)ccc2Cl)CC(C)(C)C1 ZINC000037403474 173179475 /nfs/dbraw/zinc/17/94/75/173179475.db2.gz APHAJCBACCGBQK-RISCZKNCSA-N 0 0 281.827 4.654 10 0 CJAERN C[C@H]1C[C@H](OCc2cc(N)ccc2Cl)CC(C)(C)C1 ZINC000037403476 173179298 /nfs/dbraw/zinc/17/92/98/173179298.db2.gz APHAJCBACCGBQK-FZMZJTMJSA-N 0 0 281.827 4.654 10 0 CJAERN C[C@@H]1C[C@@H](OCc2cc(N)ccc2Cl)CC(C)(C)C1 ZINC000037403479 173179286 /nfs/dbraw/zinc/17/92/86/173179286.db2.gz APHAJCBACCGBQK-BXUZGUMPSA-N 0 0 281.827 4.654 10 0 CJAERN C[C@H]1C[C@@H](OCc2cc(N)ccc2Cl)CC(C)(C)C1 ZINC000037403481 173179284 /nfs/dbraw/zinc/17/92/84/173179284.db2.gz APHAJCBACCGBQK-SMDDNHRTSA-N 0 0 281.827 4.654 10 0 CJAERN Nc1ccc(Cl)c(CSc2ccc(Cl)cc2)c1 ZINC000037403529 173179601 /nfs/dbraw/zinc/17/96/01/173179601.db2.gz SJMCSTDMUYPJPK-UHFFFAOYSA-N 0 0 284.211 4.868 10 0 CJAERN Cc1ccc(SCc2cc(N)ccc2Cl)cc1C ZINC000037403585 173179933 /nfs/dbraw/zinc/17/99/33/173179933.db2.gz DLDIENWCUSRISP-UHFFFAOYSA-N 0 0 277.820 4.831 10 0 CJAERN Cc1ccccc1-c1nc(Cl)cc(-c2ccccc2)n1 ZINC000037409124 173185642 /nfs/dbraw/zinc/18/56/42/173185642.db2.gz ZGYTUCLLINJFPS-UHFFFAOYSA-N 0 0 280.758 4.772 10 0 CJAERN CC(C)c1ccc(C(=O)CCc2ccccc2)cc1 ZINC000037409577 173185680 /nfs/dbraw/zinc/18/56/80/173185680.db2.gz CNZNZQJLVDYRKU-UHFFFAOYSA-N 0 0 252.357 4.626 10 0 CJAERN CCCc1cc(Cl)c2cc(OC(C)C)ccc2n1 ZINC000037413110 173189711 /nfs/dbraw/zinc/18/97/11/173189711.db2.gz JQKJAPFVIIMOIC-UHFFFAOYSA-N 0 0 263.768 4.628 10 0 CJAERN CC(=O)c1ccccc1Oc1cccc(C(C)(C)C)c1 ZINC000037417888 173195694 /nfs/dbraw/zinc/19/56/94/173195694.db2.gz AMSJCEAJWRDKAZ-UHFFFAOYSA-N 0 0 268.356 4.979 10 0 CJAERN C[C@H](Nc1cccc(F)c1N)c1ccc(Cl)cc1Cl ZINC000037419126 173196034 /nfs/dbraw/zinc/19/60/34/173196034.db2.gz KFUPBVXKXMFFTF-QMMMGPOBSA-N 0 0 299.176 4.888 10 0 CJAERN C[C@@H](Nc1cccc(F)c1N)c1ccc(Cl)cc1Cl ZINC000037419128 173196342 /nfs/dbraw/zinc/19/63/42/173196342.db2.gz KFUPBVXKXMFFTF-MRVPVSSYSA-N 0 0 299.176 4.888 10 0 CJAERN Nc1c(F)cccc1Oc1ccc(Cl)cc1Cl ZINC000037420073 173197780 /nfs/dbraw/zinc/19/77/80/173197780.db2.gz RXRSYTSWLVWFSG-UHFFFAOYSA-N 0 0 272.106 4.507 10 0 CJAERN Nc1c(F)cccc1Sc1cc(Cl)ccc1Cl ZINC000037420522 173197802 /nfs/dbraw/zinc/19/78/02/173197802.db2.gz SBVZYEDIPLXWDO-UHFFFAOYSA-N 0 0 288.174 4.866 10 0 CJAERN CC(C)c1ccc(Sc2cccc(F)c2N)cc1 ZINC000037420541 173197714 /nfs/dbraw/zinc/19/77/14/173197714.db2.gz LQWYXRSAWSFVOP-UHFFFAOYSA-N 0 0 261.365 4.683 10 0 CJAERN Cc1ccc(Cl)cc1-n1c2cccc(F)c2[nH]c1=S ZINC000037422438 173198247 /nfs/dbraw/zinc/19/82/47/173198247.db2.gz JOCRYILGYSFPTA-UHFFFAOYSA-N 0 0 292.766 4.789 10 0 CJAERN CSc1ccc(-n2c3cccc(F)c3[nH]c2=S)cc1 ZINC000037422621 173198442 /nfs/dbraw/zinc/19/84/42/173198442.db2.gz MGJIUSUWGXDHOH-UHFFFAOYSA-N 0 0 290.388 4.549 10 0 CJAERN Fc1ccc(-n2c3cccc(F)c3[nH]c2=S)c(Cl)c1 ZINC000037422759 173198683 /nfs/dbraw/zinc/19/86/83/173198683.db2.gz BABAVOHIZXGNTE-UHFFFAOYSA-N 0 0 296.729 4.620 10 0 CJAERN Fc1cccc2c1[nH]c(=S)n2C1CCCCCC1 ZINC000037422767 173198666 /nfs/dbraw/zinc/19/86/66/173198666.db2.gz XCTIEAPQEPMEAI-UHFFFAOYSA-N 0 0 264.369 4.733 10 0 CJAERN C[C@@H]1CCC[C@H](n2c3cccc(F)c3[nH]c2=S)C1 ZINC000037422782 173198051 /nfs/dbraw/zinc/19/80/51/173198051.db2.gz PXFKNTDSGBJSHE-ZJUUUORDSA-N 0 0 264.369 4.589 10 0 CJAERN C[C@H]1CCC[C@H](n2c3cccc(F)c3[nH]c2=S)C1 ZINC000037422784 173198505 /nfs/dbraw/zinc/19/85/05/173198505.db2.gz PXFKNTDSGBJSHE-UWVGGRQHSA-N 0 0 264.369 4.589 10 0 CJAERN C[C@@H]1CCC[C@@H](n2c3cccc(F)c3[nH]c2=S)C1 ZINC000037422785 173198159 /nfs/dbraw/zinc/19/81/59/173198159.db2.gz PXFKNTDSGBJSHE-NXEZZACHSA-N 0 0 264.369 4.589 10 0 CJAERN C[C@H]1CCC[C@@H](n2c3cccc(F)c3[nH]c2=S)C1 ZINC000037422787 173198358 /nfs/dbraw/zinc/19/83/58/173198358.db2.gz PXFKNTDSGBJSHE-VHSXEESVSA-N 0 0 264.369 4.589 10 0 CJAERN Cc1cccc(NCc2cc(Cl)cc(Cl)c2)c1 ZINC000037423267 173198312 /nfs/dbraw/zinc/19/83/12/173198312.db2.gz YFBWGTRYXWKUGH-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN Fc1ccc(NCc2cc(Cl)cc(Cl)c2)cc1F ZINC000037423428 173198527 /nfs/dbraw/zinc/19/85/27/173198527.db2.gz USDIDOBEMBWMTO-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Fc1ccc(NCc2cc(Cl)cc(Cl)c2)cc1 ZINC000037423449 173198647 /nfs/dbraw/zinc/19/86/47/173198647.db2.gz IVEXWOWWQHAKHH-UHFFFAOYSA-N 0 0 270.134 4.745 10 0 CJAERN Fc1cc(F)cc(NCc2cc(Cl)cc(Cl)c2)c1 ZINC000037423490 173199588 /nfs/dbraw/zinc/19/95/88/173199588.db2.gz IPXHMMACBGHTFP-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Cc1ccc(NCc2cc(Cl)cc(Cl)c2)cc1 ZINC000037423511 173199533 /nfs/dbraw/zinc/19/95/33/173199533.db2.gz YPJJKRJORVJHDT-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN Cc1ccccc1NCc1cc(Cl)cc(Cl)c1 ZINC000037423514 173199446 /nfs/dbraw/zinc/19/94/46/173199446.db2.gz LIBRQZBSUABAOP-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN Clc1cc(Cl)cc(CNc2ccc3c(c2)CCO3)c1 ZINC000037424481 173199430 /nfs/dbraw/zinc/19/94/30/173199430.db2.gz QNHMIRVMVBMARE-UHFFFAOYSA-N 0 0 294.181 4.540 10 0 CJAERN Cc1cc(C(C)(C)C)ccc1Oc1ccccc1N ZINC000037428920 173200173 /nfs/dbraw/zinc/20/01/73/173200173.db2.gz QXKLUAWCUQCBST-UHFFFAOYSA-N 0 0 255.361 4.667 10 0 CJAERN Cc1cc(Cl)c(C(C)C)cc1Oc1ccncc1N ZINC000037429084 173200137 /nfs/dbraw/zinc/20/01/37/173200137.db2.gz DZSYKJJPCPGVLO-UHFFFAOYSA-N 0 0 276.767 4.541 10 0 CJAERN CC(C)n1c2ccc(Cl)cc2nc1-c1sccc1N ZINC000037440611 173210230 /nfs/dbraw/zinc/21/02/30/173210230.db2.gz OXTYEATYYWWVQC-UHFFFAOYSA-N 0 0 291.807 4.581 10 0 CJAERN CC(C)n1c2ccc(Cl)cc2nc1-c1cccc(N)c1 ZINC000037440614 173210669 /nfs/dbraw/zinc/21/06/69/173210669.db2.gz ZEGPZVLVDVUISR-UHFFFAOYSA-N 0 0 285.778 4.520 10 0 CJAERN CC(C)n1c2ccc(Cl)cc2nc1-c1ccc(N)cc1 ZINC000037440677 173210129 /nfs/dbraw/zinc/21/01/29/173210129.db2.gz UCEKVDCQARHUGC-UHFFFAOYSA-N 0 0 285.778 4.520 10 0 CJAERN FC(F)(F)c1ccc(Cl)c(NC(C2CC2)C2CC2)c1 ZINC000037466466 173226497 /nfs/dbraw/zinc/22/64/97/173226497.db2.gz AEBBOTDGVSZUDA-UHFFFAOYSA-N 0 0 289.728 4.959 10 0 CJAERN C[C@H](Nc1ccccc1-c1ccccc1)C1(C)CC1 ZINC000037467594 173227215 /nfs/dbraw/zinc/22/72/15/173227215.db2.gz IRXCUGKJQPZWLR-AWEZNQCLSA-N 0 0 251.373 4.954 10 0 CJAERN C[C@@H](Nc1ccccc1-c1ccccc1)C1(C)CC1 ZINC000037467596 173227578 /nfs/dbraw/zinc/22/75/78/173227578.db2.gz IRXCUGKJQPZWLR-CQSZACIVSA-N 0 0 251.373 4.954 10 0 CJAERN C[C@H](Nc1ccc(Cl)cc1C(F)(F)F)C1(C)CC1 ZINC000037467756 173227441 /nfs/dbraw/zinc/22/74/41/173227441.db2.gz CUKRABXNCSITPA-QMMMGPOBSA-N 0 0 277.717 4.959 10 0 CJAERN C[C@H](Nc1ccc(OC(F)F)c(Cl)c1)C1(C)CC1 ZINC000037468046 173227273 /nfs/dbraw/zinc/22/72/73/173227273.db2.gz KYSFIBUBUHBACK-QMMMGPOBSA-N 0 0 275.726 4.542 10 0 CJAERN FC(F)(F)c1ccc(NCc2ccc(Cl)o2)cc1 ZINC000037503822 328805826 /nfs/dbraw/zinc/80/58/26/328805826.db2.gz MXVFUWZAAVLTBL-UHFFFAOYSA-N 0 0 275.657 4.564 10 0 CJAERN Cc1cc(Cl)c2cccc(Cc3ccccc3)c2n1 ZINC000037507603 173241918 /nfs/dbraw/zinc/24/19/18/173241918.db2.gz XFWLSQVQJOLQAQ-UHFFFAOYSA-N 0 0 267.759 4.787 10 0 CJAERN O=Cc1c(Cl)cccc1OCc1ccc(F)cc1Cl ZINC000037519297 173249896 /nfs/dbraw/zinc/24/98/96/173249896.db2.gz ZIFNYBPZLPFTIW-UHFFFAOYSA-N 0 0 299.128 4.524 10 0 CJAERN CCC(C)(C)C1CCC(O)(c2ccc(F)cc2)CC1 ZINC000037528958 173252551 /nfs/dbraw/zinc/25/25/51/173252551.db2.gz BTRHMBXWFRJBQB-UHFFFAOYSA-N 0 0 264.384 4.640 10 0 CJAERN CCC(C)(C)C1CCC(O)(c2cccc(C)c2)CC1 ZINC000037528960 173252370 /nfs/dbraw/zinc/25/23/70/173252370.db2.gz OHLRFLJAMNNUAP-UHFFFAOYSA-N 0 0 260.421 4.809 10 0 CJAERN CCC(C)(C)C1CCC(O)(c2ccccc2C)CC1 ZINC000037528963 173252559 /nfs/dbraw/zinc/25/25/59/173252559.db2.gz PPDGHCBTYIRELB-UHFFFAOYSA-N 0 0 260.421 4.809 10 0 CJAERN CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)Cc1ccc(Cl)cc1 ZINC000037529833 173252853 /nfs/dbraw/zinc/25/28/53/173252853.db2.gz IADASSLFARBXKD-KBRIMQKVSA-N 0 0 280.839 4.706 10 0 CJAERN CC(C)[C@H]1CC[C@H](C)C[C@@]1(O)Cc1ccc(Cl)cc1 ZINC000037529834 173252879 /nfs/dbraw/zinc/25/28/79/173252879.db2.gz IADASSLFARBXKD-IAOVAPTHSA-N 0 0 280.839 4.706 10 0 CJAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)Cc1ccc(Cl)cc1 ZINC000037529835 173253045 /nfs/dbraw/zinc/25/30/45/173253045.db2.gz IADASSLFARBXKD-XOKHGSTOSA-N 0 0 280.839 4.706 10 0 CJAERN CC(C)[C@@H]1CC[C@H](C)C[C@@]1(O)Cc1ccc(Cl)cc1 ZINC000037529836 173253035 /nfs/dbraw/zinc/25/30/35/173253035.db2.gz IADASSLFARBXKD-RRQGHBQHSA-N 0 0 280.839 4.706 10 0 CJAERN Cc1cccc(CC2(O)CCC(C(C)(C)C)CC2)c1 ZINC000037529972 173252813 /nfs/dbraw/zinc/25/28/13/173252813.db2.gz UIXUUFBYHYJRBA-UHFFFAOYSA-N 0 0 260.421 4.505 10 0 CJAERN CC(C)(C)[C@@H]1CCCC[C@]1(O)Cc1cccc(Cl)c1 ZINC000037530029 173253032 /nfs/dbraw/zinc/25/30/32/173253032.db2.gz ZVZXOGQOCLYASO-RDJZCZTQSA-N 0 0 280.839 4.850 10 0 CJAERN CC(C)(C)[C@H]1CCCC[C@]1(O)Cc1cccc(Cl)c1 ZINC000037530030 173253075 /nfs/dbraw/zinc/25/30/75/173253075.db2.gz ZVZXOGQOCLYASO-WBVHZDCISA-N 0 0 280.839 4.850 10 0 CJAERN CC(C)(C)[C@@H]1CCCC[C@@]1(O)Cc1cccc(Cl)c1 ZINC000037530031 173252752 /nfs/dbraw/zinc/25/27/52/173252752.db2.gz ZVZXOGQOCLYASO-DOTOQJQBSA-N 0 0 280.839 4.850 10 0 CJAERN CC(C)(C)[C@H]1CCCC[C@@]1(O)Cc1cccc(Cl)c1 ZINC000037530032 173252912 /nfs/dbraw/zinc/25/29/12/173252912.db2.gz ZVZXOGQOCLYASO-NVXWUHKLSA-N 0 0 280.839 4.850 10 0 CJAERN Cc1ccccc1C[C@]1(O)CCCC[C@@H]1C(C)(C)C ZINC000037530081 173252821 /nfs/dbraw/zinc/25/28/21/173252821.db2.gz UAJLVSQOPJQSFP-SJLPKXTDSA-N 0 0 260.421 4.505 10 0 CJAERN Cc1ccccc1C[C@@]1(O)CCCC[C@@H]1C(C)(C)C ZINC000037530082 173252809 /nfs/dbraw/zinc/25/28/09/173252809.db2.gz UAJLVSQOPJQSFP-AEFFLSMTSA-N 0 0 260.421 4.505 10 0 CJAERN Cc1ccccc1C[C@]1(O)CCCC[C@H]1C(C)(C)C ZINC000037530083 173253084 /nfs/dbraw/zinc/25/30/84/173253084.db2.gz UAJLVSQOPJQSFP-FUHWJXTLSA-N 0 0 260.421 4.505 10 0 CJAERN Cc1ccccc1C[C@@]1(O)CCCC[C@H]1C(C)(C)C ZINC000037530084 173252865 /nfs/dbraw/zinc/25/28/65/173252865.db2.gz UAJLVSQOPJQSFP-WMZOPIPTSA-N 0 0 260.421 4.505 10 0 CJAERN CC(C)(C)[C@@H]1CCCC[C@]1(O)CCc1ccccc1 ZINC000037531637 173253294 /nfs/dbraw/zinc/25/32/94/173253294.db2.gz WJJOTXJIZBNFCM-WMZOPIPTSA-N 0 0 260.421 4.587 10 0 CJAERN CC(C)(C)[C@H]1CCCC[C@]1(O)CCc1ccccc1 ZINC000037531638 173253604 /nfs/dbraw/zinc/25/36/04/173253604.db2.gz WJJOTXJIZBNFCM-AEFFLSMTSA-N 0 0 260.421 4.587 10 0 CJAERN CC(C)(C)[C@@H]1CCCC[C@@]1(O)CCc1ccccc1 ZINC000037531639 173253243 /nfs/dbraw/zinc/25/32/43/173253243.db2.gz WJJOTXJIZBNFCM-FUHWJXTLSA-N 0 0 260.421 4.587 10 0 CJAERN CC(C)(C)[C@H]1CCCC[C@@]1(O)CCc1ccccc1 ZINC000037531640 173253313 /nfs/dbraw/zinc/25/33/13/173253313.db2.gz WJJOTXJIZBNFCM-SJLPKXTDSA-N 0 0 260.421 4.587 10 0 CJAERN Cc1ccc(C(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000037531973 173253303 /nfs/dbraw/zinc/25/33/03/173253303.db2.gz HNAVOMCPFPYWLO-UHFFFAOYSA-N 0 0 279.166 4.727 10 0 CJAERN Cc1ccccc1C(=O)Cc1ccc(Cl)cc1Cl ZINC000037531977 173253380 /nfs/dbraw/zinc/25/33/80/173253380.db2.gz SGKIBGUEZFJHAI-UHFFFAOYSA-N 0 0 279.166 4.727 10 0 CJAERN CC(C)c1ccc([C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000037532394 173253976 /nfs/dbraw/zinc/25/39/76/173253976.db2.gz LRJMNBRXYLWPHO-QGZVFWFLSA-N 0 0 274.791 4.740 10 0 CJAERN CC(C)c1ccc([C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000037532395 173253967 /nfs/dbraw/zinc/25/39/67/173253967.db2.gz LRJMNBRXYLWPHO-KRWDZBQOSA-N 0 0 274.791 4.740 10 0 CJAERN Cc1cc(C(C)(C)C)cc(C)c1C[C@H](O)CC(C)C ZINC000037532677 173253916 /nfs/dbraw/zinc/25/39/16/173253916.db2.gz QZVBDKWLXNJNBQ-MRXNPFEDSA-N 0 0 262.437 4.550 10 0 CJAERN Cc1cc(C(C)(C)C)cc(C)c1C[C@@H](O)CC(C)C ZINC000037532678 173254070 /nfs/dbraw/zinc/25/40/70/173254070.db2.gz QZVBDKWLXNJNBQ-INIZCTEOSA-N 0 0 262.437 4.550 10 0 CJAERN Cc1ccc([C@H](O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000037532798 173253764 /nfs/dbraw/zinc/25/37/64/173253764.db2.gz FNFBYULAYMQZRI-OAHLLOKOSA-N 0 0 281.182 4.578 10 0 CJAERN Cc1ccc([C@@H](O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000037532799 173253789 /nfs/dbraw/zinc/25/37/89/173253789.db2.gz FNFBYULAYMQZRI-HNNXBMFYSA-N 0 0 281.182 4.578 10 0 CJAERN O[C@@H](CCc1ccccc1)Cc1ccc(Cl)cc1Cl ZINC000037532804 173254058 /nfs/dbraw/zinc/25/40/58/173254058.db2.gz UZRXZPMICSVAMH-HNNXBMFYSA-N 0 0 295.209 4.530 10 0 CJAERN O[C@H](CCc1ccccc1)Cc1ccc(Cl)cc1Cl ZINC000037532805 173253858 /nfs/dbraw/zinc/25/38/58/173253858.db2.gz UZRXZPMICSVAMH-OAHLLOKOSA-N 0 0 295.209 4.530 10 0 CJAERN Cn1ccc(NC2CCCCCCCCCCC2)n1 ZINC000037560433 173270341 /nfs/dbraw/zinc/27/03/41/173270341.db2.gz CHBWBQYEVGSRSW-UHFFFAOYSA-N 0 0 263.429 4.505 10 0 CJAERN Fc1ccc2sc(CNc3cccc(Cl)c3)nc2c1 ZINC000037600287 173554106 /nfs/dbraw/zinc/55/41/06/173554106.db2.gz JUYDTCSJQHESTA-UHFFFAOYSA-N 0 0 292.766 4.701 10 0 CJAERN Clc1ccc([C@@H]2O[C@H]2c2ccc(Cl)cc2)cc1 ZINC000037631223 173580909 /nfs/dbraw/zinc/58/09/09/173580909.db2.gz UJXDFUPWDONDCO-KBPBESRZSA-N 0 0 265.139 4.806 10 0 CJAERN Nc1ccc(Cl)c(-c2nc3cccc(Cl)c3s2)c1 ZINC000037641931 173585755 /nfs/dbraw/zinc/58/57/55/173585755.db2.gz QJOPFNLSENXDSG-UHFFFAOYSA-N 0 0 295.194 4.852 10 0 CJAERN CC(C)c1ccc([C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000037658113 173606371 /nfs/dbraw/zinc/60/63/71/173606371.db2.gz IKZLTAALODNWCM-MRXNPFEDSA-N 0 0 260.764 4.545 10 0 CJAERN Cc1ccc([C@](C)(O)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000037735298 173654803 /nfs/dbraw/zinc/65/48/03/173654803.db2.gz DGUWDMPGDPBJAK-HNNXBMFYSA-N 0 0 299.172 4.697 10 0 CJAERN Nc1ccc(Nc2cccc(Cl)c2)c(C(F)(F)F)c1 ZINC000037754476 173678265 /nfs/dbraw/zinc/67/82/65/173678265.db2.gz BFLMUEMDNKFIMU-UHFFFAOYSA-N 0 0 286.684 4.685 10 0 CJAERN Nc1ccc(Nc2ccc(Cl)cc2)c(C(F)(F)F)c1 ZINC000037754478 173677997 /nfs/dbraw/zinc/67/79/97/173677997.db2.gz VWLOQZFJKADROA-UHFFFAOYSA-N 0 0 286.684 4.685 10 0 CJAERN CC(C)C[C@@H](C)OCc1cc2ccccc2nc1Cl ZINC000037758380 173683235 /nfs/dbraw/zinc/68/32/35/173683235.db2.gz FBZKMXIDWXVJSI-GFCCVEGCSA-N 0 0 277.795 4.839 10 0 CJAERN CC(C)CCCOCc1cc2ccccc2nc1Cl ZINC000037758388 173683182 /nfs/dbraw/zinc/68/31/82/173683182.db2.gz QGCLESUQTASNCO-UHFFFAOYSA-N 0 0 277.795 4.841 10 0 CJAERN CCC(C)(C)OCc1cc2ccccc2nc1Cl ZINC000037758389 173683062 /nfs/dbraw/zinc/68/30/62/173683062.db2.gz YQGCDMDAQFHJJW-UHFFFAOYSA-N 0 0 263.768 4.593 10 0 CJAERN Cc1cc(C)c(N[C@H]2CCc3ccccc32)c(C)c1 ZINC000037763513 173690714 /nfs/dbraw/zinc/69/07/14/173690714.db2.gz KZIPPCHGNDZNLB-KRWDZBQOSA-N 0 0 251.373 4.711 10 0 CJAERN CCc1cccc(C)c1N[C@H](C)c1nc(C)sc1C ZINC000037763940 173690280 /nfs/dbraw/zinc/69/02/80/173690280.db2.gz SRKMOPLFWUKMFQ-LLVKDONJSA-N 0 0 274.433 4.804 10 0 CJAERN C[C@H](Nc1ccc(-c2nccs2)cc1)c1ccco1 ZINC000037765033 173691739 /nfs/dbraw/zinc/69/17/39/173691739.db2.gz RHVKJFHDKXZFPY-NSHDSACASA-N 0 0 270.357 4.576 10 0 CJAERN CC1CCC(Nc2ccc(-c3nccs3)cc2)CC1 ZINC000037765444 173693344 /nfs/dbraw/zinc/69/33/44/173693344.db2.gz POSFZUPIPBXWSQ-UHFFFAOYSA-N 0 0 272.417 4.801 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2ccc(-c3nccs3)cc2)C1 ZINC000037765487 173693394 /nfs/dbraw/zinc/69/33/94/173693394.db2.gz UBBNDPJAXCVRJF-DOMZBBRYSA-N 0 0 272.417 4.801 10 0 CJAERN Cc1ccsc1CNc1ccc(-c2nccs2)cc1 ZINC000037765504 173693981 /nfs/dbraw/zinc/69/39/81/173693981.db2.gz RKEHAKLYHBYBBH-UHFFFAOYSA-N 0 0 286.425 4.792 10 0 CJAERN CC[C@@H](Nc1ccc(-c2nccs2)cc1)C(C)C ZINC000037765679 173693406 /nfs/dbraw/zinc/69/34/06/173693406.db2.gz WCDZXANTZKAOKA-CQSZACIVSA-N 0 0 260.406 4.657 10 0 CJAERN CCC[C@H](C)CNc1ccc(-c2nccs2)cc1 ZINC000037766019 173694280 /nfs/dbraw/zinc/69/42/80/173694280.db2.gz ITEKORDBDGQVQC-LBPRGKRZSA-N 0 0 260.406 4.658 10 0 CJAERN CC[C@H](C)[C@@H](C)Nc1ccc(-c2nccs2)cc1 ZINC000037766031 173694783 /nfs/dbraw/zinc/69/47/83/173694783.db2.gz UQOXIMVIMGXISK-NWDGAFQWSA-N 0 0 260.406 4.657 10 0 CJAERN C[C@@H](Nc1ccc(Cl)c2cccnc12)c1ccco1 ZINC000037767040 173696678 /nfs/dbraw/zinc/69/66/78/173696678.db2.gz OTUXIEPMEMCSLX-SNVBAGLBSA-N 0 0 272.735 4.654 10 0 CJAERN Cc1ccsc1CNc1ccc(Cl)c2cccnc12 ZINC000037767326 173696961 /nfs/dbraw/zinc/69/69/61/173696961.db2.gz PITARWRYLZGMFC-UHFFFAOYSA-N 0 0 288.803 4.870 10 0 CJAERN Cc1ccc(CNc2ccc(Cl)c3cccnc23)s1 ZINC000037767855 173697712 /nfs/dbraw/zinc/69/77/12/173697712.db2.gz VWWNXBHSPUYKLE-UHFFFAOYSA-N 0 0 288.803 4.870 10 0 CJAERN Cc1ccc(CNc2c(C)cc(Br)cc2C)o1 ZINC000037772355 173704706 /nfs/dbraw/zinc/70/47/06/173704706.db2.gz WLBDTXQMDSGNIW-UHFFFAOYSA-N 0 0 294.192 4.579 10 0 CJAERN CCOc1ccc(NCc2sccc2C)cc1Cl ZINC000037773360 173705691 /nfs/dbraw/zinc/70/56/91/173705691.db2.gz AKMXNOHIFMXUJS-UHFFFAOYSA-N 0 0 281.808 4.721 10 0 CJAERN CC(C)CC[C@H](C)Nc1cccc(N2CCCC2)c1 ZINC000037775025 173706655 /nfs/dbraw/zinc/70/66/55/173706655.db2.gz HRSYZFZMSMEPTM-HNNXBMFYSA-N 0 0 260.425 4.523 10 0 CJAERN C[C@@H](Nc1cccc(N2CCCC2)c1)c1cccs1 ZINC000037775041 173706878 /nfs/dbraw/zinc/70/68/78/173706878.db2.gz CSHOXFFTIQDDCG-CYBMUJFWSA-N 0 0 272.417 4.521 10 0 CJAERN CCCCC[C@@H](C)Nc1cccc(N2CCCC2)c1 ZINC000037775218 173707388 /nfs/dbraw/zinc/70/73/88/173707388.db2.gz DXCLOUPEPOSFPV-OAHLLOKOSA-N 0 0 260.425 4.668 10 0 CJAERN CCOc1cc(C)ccc1N[C@H](C)c1ccc(C)s1 ZINC000037778025 173709230 /nfs/dbraw/zinc/70/92/30/173709230.db2.gz ZFWSORLAHXORLD-CYBMUJFWSA-N 0 0 275.417 4.937 10 0 CJAERN C[C@H]1CCC[C@H](Nc2cccc(-c3nccs3)c2)C1 ZINC000037778332 173709237 /nfs/dbraw/zinc/70/92/37/173709237.db2.gz SQBJDQVWWGFLBF-JSGCOSHPSA-N 0 0 272.417 4.801 10 0 CJAERN c1csc(-c2cccc(NCC3CCCCC3)c2)n1 ZINC000037778346 173708952 /nfs/dbraw/zinc/70/89/52/173708952.db2.gz INYDMMJPYJRPDT-UHFFFAOYSA-N 0 0 272.417 4.802 10 0 CJAERN CCCC[C@H](C)Nc1cccc(-c2nccs2)c1 ZINC000037778389 173709157 /nfs/dbraw/zinc/70/91/57/173709157.db2.gz ALLFSXYEWOUDQA-LBPRGKRZSA-N 0 0 260.406 4.801 10 0 CJAERN CC[C@H](Nc1cccc(-c2nccs2)c1)C(C)C ZINC000037778390 173709247 /nfs/dbraw/zinc/70/92/47/173709247.db2.gz RYBUIKNFOUBIDO-AWEZNQCLSA-N 0 0 260.406 4.657 10 0 CJAERN CC[C@H](C)[C@@H](C)Nc1cccc(-c2nccs2)c1 ZINC000037778466 173709062 /nfs/dbraw/zinc/70/90/62/173709062.db2.gz XSQXGEAWYGPZQN-NWDGAFQWSA-N 0 0 260.406 4.657 10 0 CJAERN CC[C@@H](C)[C@H](C)Nc1cccc(-c2nccs2)c1 ZINC000037778467 173709208 /nfs/dbraw/zinc/70/92/08/173709208.db2.gz XSQXGEAWYGPZQN-NEPJUHHUSA-N 0 0 260.406 4.657 10 0 CJAERN CCSc1ccccc1N[C@@H]1CCc2ccccc21 ZINC000037779104 173709644 /nfs/dbraw/zinc/70/96/44/173709644.db2.gz AIRKDJRBPOASIP-OAHLLOKOSA-N 0 0 269.413 4.898 10 0 CJAERN CCSc1ccccc1N[C@@H](C)c1ccccc1 ZINC000037779106 173709495 /nfs/dbraw/zinc/70/94/95/173709495.db2.gz LKRDLBCLYLVHBD-ZDUSSCGKSA-N 0 0 257.402 4.972 10 0 CJAERN CCSc1ccccc1N[C@@H](C)c1ccc(O)cc1 ZINC000037779171 173709709 /nfs/dbraw/zinc/70/97/09/173709709.db2.gz NZPAZYYIALUTPW-LBPRGKRZSA-N 0 0 273.401 4.677 10 0 CJAERN CCSc1ccccc1NCc1ccccc1C ZINC000037779202 173709775 /nfs/dbraw/zinc/70/97/75/173709775.db2.gz BBQGODQDBLTCJV-UHFFFAOYSA-N 0 0 257.402 4.719 10 0 CJAERN CCSc1ccccc1NCc1ccc(F)c(F)c1 ZINC000037779206 173709791 /nfs/dbraw/zinc/70/97/91/173709791.db2.gz GYLCQGDGLNXLDR-UHFFFAOYSA-N 0 0 279.355 4.689 10 0 CJAERN CCSc1ccccc1NCc1sccc1C ZINC000037779223 173709891 /nfs/dbraw/zinc/70/98/91/173709891.db2.gz YNBCXSZIEHZAAV-UHFFFAOYSA-N 0 0 263.431 4.781 10 0 CJAERN CCSc1ccccc1NCc1ccc(F)cc1F ZINC000037779243 173709642 /nfs/dbraw/zinc/70/96/42/173709642.db2.gz CDEFRPFGOZZEAC-UHFFFAOYSA-N 0 0 279.355 4.689 10 0 CJAERN CCSc1ccccc1N[C@@H](C)c1ccc(C)o1 ZINC000037779250 173709361 /nfs/dbraw/zinc/70/93/61/173709361.db2.gz HLZLMMAOUKVHPA-LBPRGKRZSA-N 0 0 261.390 4.873 10 0 CJAERN CCSc1ccccc1N[C@H](C)c1ccc(C)o1 ZINC000037779251 173709683 /nfs/dbraw/zinc/70/96/83/173709683.db2.gz HLZLMMAOUKVHPA-GFCCVEGCSA-N 0 0 261.390 4.873 10 0 CJAERN CCOc1cccc(N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000037780207 173710117 /nfs/dbraw/zinc/71/01/17/173710117.db2.gz ZJRZEBMNWZYPKG-LBPRGKRZSA-N 0 0 275.779 4.912 10 0 CJAERN CCOc1cccc(N[C@@H](C)c2ccc(C)cc2)c1 ZINC000037780243 173710076 /nfs/dbraw/zinc/71/00/76/173710076.db2.gz CQJGPYFVIOCVDE-AWEZNQCLSA-N 0 0 255.361 4.567 10 0 CJAERN CCOc1ccc(Cl)cc1NCc1sccc1C ZINC000037780895 173711010 /nfs/dbraw/zinc/71/10/10/173711010.db2.gz DBNBDPKNRTVIGI-UHFFFAOYSA-N 0 0 281.808 4.721 10 0 CJAERN Cc1ccc([C@H](C)Nc2ccc(N(C)C)c(Cl)c2)s1 ZINC000037781267 173711787 /nfs/dbraw/zinc/71/17/87/173711787.db2.gz WVLIDBISBKTRRN-NSHDSACASA-N 0 0 294.851 4.949 10 0 CJAERN CCOc1ccc(N[C@@H](C)c2ccc(C)s2)c(C)c1 ZINC000037781816 173712364 /nfs/dbraw/zinc/71/23/64/173712364.db2.gz CUPYYUYKMMZRLL-ZDUSSCGKSA-N 0 0 275.417 4.937 10 0 CJAERN CCOc1ccc(NCc2ccc(Cl)s2)c(C)c1 ZINC000037781933 173712051 /nfs/dbraw/zinc/71/20/51/173712051.db2.gz NGGRSSSMUXZOLB-UHFFFAOYSA-N 0 0 281.808 4.721 10 0 CJAERN COc1cc(C)ccc1NCc1cccc(Cl)c1Cl ZINC000037783235 173714062 /nfs/dbraw/zinc/71/40/62/173714062.db2.gz GTWKBTBOXYWUNS-UHFFFAOYSA-N 0 0 296.197 4.923 10 0 CJAERN CC[C@@H](C)c1ccc(NCc2cnc(C)s2)cc1 ZINC000037797246 173731882 /nfs/dbraw/zinc/73/18/82/173731882.db2.gz VCRXKKBALTYOBO-LLVKDONJSA-N 0 0 260.406 4.577 10 0 CJAERN Nc1cccc(Cl)c1Oc1ccc(F)cc1Cl ZINC000037902058 173832942 /nfs/dbraw/zinc/83/29/42/173832942.db2.gz ZMEYCQQRDUHARJ-UHFFFAOYSA-N 0 0 272.106 4.507 10 0 CJAERN C[C@@H](Nc1cc(Cl)c(Cl)cc1Cl)c1cc[nH]n1 ZINC000037906434 173838774 /nfs/dbraw/zinc/83/87/74/173838774.db2.gz XFABIEQFEZLFJV-ZCFIWIBFSA-N 0 0 290.581 4.543 10 0 CJAERN C[C@@H](Nc1c(Cl)cc(Cl)cc1Cl)c1cc[nH]n1 ZINC000037907038 173838906 /nfs/dbraw/zinc/83/89/06/173838906.db2.gz FYOXNPLYHXIANZ-ZCFIWIBFSA-N 0 0 290.581 4.543 10 0 CJAERN CCc1ncc(CNc2ccc(Cl)cc2Cl)s1 ZINC000037923694 173862009 /nfs/dbraw/zinc/86/20/09/173862009.db2.gz FGMWWPNRFNBKTE-UHFFFAOYSA-N 0 0 287.215 4.624 10 0 CJAERN CCc1ncc(CNc2ccc3sccc3c2)s1 ZINC000037924221 173862647 /nfs/dbraw/zinc/86/26/47/173862647.db2.gz XXJUZUMMOUSNFN-UHFFFAOYSA-N 0 0 274.414 4.532 10 0 CJAERN CSc1cccc(NCc2nc3ccccc3s2)c1 ZINC000037977639 173934100 /nfs/dbraw/zinc/93/41/00/173934100.db2.gz LSTAVSJLSHXJFK-UHFFFAOYSA-N 0 0 286.425 4.630 10 0 CJAERN Clc1ccc(Oc2ccc(Cl)c3ccccc23)nn1 ZINC000037977893 173934983 /nfs/dbraw/zinc/93/49/83/173934983.db2.gz CTELSDOICPKHKF-UHFFFAOYSA-N 0 0 291.137 4.729 10 0 CJAERN Clc1ccc(Oc2ccc(-c3ccccc3)cc2)nn1 ZINC000037977904 173934308 /nfs/dbraw/zinc/93/43/08/173934308.db2.gz AVBKESLLCJXVTI-UHFFFAOYSA-N 0 0 282.730 4.589 10 0 CJAERN C[C@H](Nc1ncccc1Cl)c1cccc(Cl)c1 ZINC000037979397 173938249 /nfs/dbraw/zinc/93/82/49/173938249.db2.gz UMNIGUGNZCDRMS-VIFPVBQESA-N 0 0 267.159 4.562 10 0 CJAERN CCc1ccc([C@H](C)Nc2nc3ccccc3o2)cc1 ZINC000037981235 173941242 /nfs/dbraw/zinc/94/12/42/173941242.db2.gz OSIOSRRJSLVENN-LBPRGKRZSA-N 0 0 266.344 4.563 10 0 CJAERN Cc1nc(-c2ccc(C(C)C)cc2)nc(Cl)c1C ZINC000038000979 173963823 /nfs/dbraw/zinc/96/38/23/173963823.db2.gz CQPSNYMNMQWVCV-UHFFFAOYSA-N 0 0 260.768 4.537 10 0 CJAERN O=Cc1ccc(Oc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000038001502 173964855 /nfs/dbraw/zinc/96/48/55/173964855.db2.gz OFSPRAJNZAMKTR-UHFFFAOYSA-N 0 0 285.101 4.737 10 0 CJAERN C[C@H](O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1 ZINC000038001526 173964509 /nfs/dbraw/zinc/96/45/09/173964509.db2.gz DMEYKHFHFDVDIA-VIFPVBQESA-N 0 0 283.154 4.839 10 0 CJAERN Cc1ccccc1N[C@H](C)c1ccc(Br)s1 ZINC000038001824 173964600 /nfs/dbraw/zinc/96/46/00/173964600.db2.gz NFXXJMTVRPPBNZ-SNVBAGLBSA-N 0 0 296.233 4.992 10 0 CJAERN Oc1cccc(NCc2cc(-c3ccccc3)cs2)c1 ZINC000038030756 174024074 /nfs/dbraw/zinc/02/40/74/174024074.db2.gz YAEMXQKSZRZDEE-UHFFFAOYSA-N 0 0 281.380 4.733 10 0 CJAERN Oc1ccc(NCc2cc(-c3ccccc3)cs2)cc1 ZINC000038030830 174023538 /nfs/dbraw/zinc/02/35/38/174023538.db2.gz RLZGQLPSCFSPMP-UHFFFAOYSA-N 0 0 281.380 4.733 10 0 CJAERN CCCOc1cccc(CNc2ccc(F)c(F)c2F)c1 ZINC000038038250 174038465 /nfs/dbraw/zinc/03/84/65/174038465.db2.gz XEQLPYMWVUKGJY-UHFFFAOYSA-N 0 0 295.304 4.505 10 0 CJAERN CCCOc1cccc(CNc2ccc3[nH]ccc3c2)c1 ZINC000038038263 174038390 /nfs/dbraw/zinc/03/83/90/174038390.db2.gz IOILZOKZQGKPKP-UHFFFAOYSA-N 0 0 280.371 4.569 10 0 CJAERN CCCOc1cccc(CNc2ccccc2SC)c1 ZINC000038038300 174038278 /nfs/dbraw/zinc/03/82/78/174038278.db2.gz IDQFEHQVVGPXAZ-UHFFFAOYSA-N 0 0 287.428 4.809 10 0 CJAERN Nc1cc(F)c(Nc2cc(Cl)ccc2Cl)c(F)c1 ZINC000038039946 174039535 /nfs/dbraw/zinc/03/95/35/174039535.db2.gz BZKYUEMPIPHJLS-UHFFFAOYSA-N 0 0 289.112 4.597 10 0 CJAERN Nc1cc(F)c(Nc2ccc(Cl)cc2Cl)c(F)c1 ZINC000038039962 174039824 /nfs/dbraw/zinc/03/98/24/174039824.db2.gz VLSMDANQUNEITP-UHFFFAOYSA-N 0 0 289.112 4.597 10 0 CJAERN Nc1cc(F)c(Nc2cc(Cl)cc(Cl)c2)c(F)c1 ZINC000038039980 174039493 /nfs/dbraw/zinc/03/94/93/174039493.db2.gz VFAUTKYPCJXYKC-UHFFFAOYSA-N 0 0 289.112 4.597 10 0 CJAERN Nc1cc(F)c(Nc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000038039985 174039833 /nfs/dbraw/zinc/03/98/33/174039833.db2.gz DNSCNPSCDSAVEG-UHFFFAOYSA-N 0 0 289.112 4.597 10 0 CJAERN Nc1cc(F)c(Nc2cccc(Cl)c2Cl)c(F)c1 ZINC000038040023 174040465 /nfs/dbraw/zinc/04/04/65/174040465.db2.gz JDGJCAXWUPAPQS-UHFFFAOYSA-N 0 0 289.112 4.597 10 0 CJAERN Nc1cc(F)c(Oc2cc(Cl)ccc2Cl)c(F)c1 ZINC000038040252 174040224 /nfs/dbraw/zinc/04/02/24/174040224.db2.gz GKFBFDKOPVQWDP-UHFFFAOYSA-N 0 0 290.096 4.646 10 0 CJAERN Cc1ccc(C(C)C)c(Oc2c(F)cc(N)cc2F)c1 ZINC000038040263 174040457 /nfs/dbraw/zinc/04/04/57/174040457.db2.gz PSACDUSLUXVBGK-UHFFFAOYSA-N 0 0 277.314 4.771 10 0 CJAERN Nc1cc(F)c(Oc2ccc(Cl)cc2Cl)c(F)c1 ZINC000038040278 174040441 /nfs/dbraw/zinc/04/04/41/174040441.db2.gz JSMABOHRTZHDNT-UHFFFAOYSA-N 0 0 290.096 4.646 10 0 CJAERN CC[C@@H](C)c1ccccc1Oc1c(F)cc(N)cc1F ZINC000038040287 174040198 /nfs/dbraw/zinc/04/01/98/174040198.db2.gz ZFWRINTYDHRSNI-SNVBAGLBSA-N 0 0 277.314 4.853 10 0 CJAERN CC[C@H](C)c1ccccc1Oc1c(F)cc(N)cc1F ZINC000038040288 174040583 /nfs/dbraw/zinc/04/05/83/174040583.db2.gz ZFWRINTYDHRSNI-JTQLQIEISA-N 0 0 277.314 4.853 10 0 CJAERN Nc1cc(F)c(Oc2cccc(Cl)c2Cl)c(F)c1 ZINC000038040332 174040461 /nfs/dbraw/zinc/04/04/61/174040461.db2.gz ZWOLBAHWVBUHPS-UHFFFAOYSA-N 0 0 290.096 4.646 10 0 CJAERN Nc1cc(F)c(Oc2cc(Cl)cc(Cl)c2)c(F)c1 ZINC000038040386 174040253 /nfs/dbraw/zinc/04/02/53/174040253.db2.gz YKKWFWIGCAXKJB-UHFFFAOYSA-N 0 0 290.096 4.646 10 0 CJAERN Nc1cc(F)c(Oc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000038040393 174040481 /nfs/dbraw/zinc/04/04/81/174040481.db2.gz GWVJYNMFUHXRBV-UHFFFAOYSA-N 0 0 290.096 4.646 10 0 CJAERN CCn1c(CNc2cc(Cl)ccc2C)nc2ccccc21 ZINC000038046545 174055277 /nfs/dbraw/zinc/05/52/77/174055277.db2.gz XYCXHEVXEAIKRD-UHFFFAOYSA-N 0 0 299.805 4.630 10 0 CJAERN CCn1c(CNc2ccc(C)c(Cl)c2)nc2ccccc21 ZINC000038046566 174055290 /nfs/dbraw/zinc/05/52/90/174055290.db2.gz POLSBMVGOXDHHT-UHFFFAOYSA-N 0 0 299.805 4.630 10 0 CJAERN CCn1c(CNc2cccc(Cl)c2C)nc2ccccc21 ZINC000038046578 174055432 /nfs/dbraw/zinc/05/54/32/174055432.db2.gz WVFUANKZZCXBES-UHFFFAOYSA-N 0 0 299.805 4.630 10 0 CJAERN CCCn1c(CNc2ccccc2Cl)nc2ccccc21 ZINC000038046608 174055064 /nfs/dbraw/zinc/05/50/64/174055064.db2.gz RUOGFJKMSODCEQ-UHFFFAOYSA-N 0 0 299.805 4.712 10 0 CJAERN CCn1c(CNc2ccc(Cl)cc2C)nc2ccccc21 ZINC000038046649 174054971 /nfs/dbraw/zinc/05/49/71/174054971.db2.gz LHGDQVLYWBEKCM-UHFFFAOYSA-N 0 0 299.805 4.630 10 0 CJAERN CCn1c(CNc2ccc(C)cc2Cl)nc2ccccc21 ZINC000038046717 174054994 /nfs/dbraw/zinc/05/49/94/174054994.db2.gz ZFNYXJFFASSGAU-UHFFFAOYSA-N 0 0 299.805 4.630 10 0 CJAERN COc1ccc(Cl)cc1CNc1cnc2ccccc2c1 ZINC000038051548 174062601 /nfs/dbraw/zinc/06/26/01/174062601.db2.gz JFHMEUZZWAVYHF-UHFFFAOYSA-N 0 0 298.773 4.509 10 0 CJAERN Cc1cccc2oc(-c3cc4ccccc4cc3N)nc21 ZINC000038052781 174064099 /nfs/dbraw/zinc/06/40/99/174064099.db2.gz QJODVAJXUIWSQG-UHFFFAOYSA-N 0 0 274.323 4.539 10 0 CJAERN Cc1ccc(C(C)C)cc1OCc1cccc(N)c1C ZINC000038052938 174064692 /nfs/dbraw/zinc/06/46/92/174064692.db2.gz JVYALIPLIAWMNT-UHFFFAOYSA-N 0 0 269.388 4.588 10 0 CJAERN Nc1cccc(OCc2sc3ccccc3c2Cl)c1 ZINC000038055027 174066339 /nfs/dbraw/zinc/06/63/39/174066339.db2.gz FSFZLJKSFMXFMR-UHFFFAOYSA-N 0 0 289.787 4.716 10 0 CJAERN Nc1ccccc1OCc1sc2ccccc2c1Cl ZINC000038055950 174066783 /nfs/dbraw/zinc/06/67/83/174066783.db2.gz UMNGTQWGUQWPLY-UHFFFAOYSA-N 0 0 289.787 4.716 10 0 CJAERN Clc1cnc(Oc2cccc3c2NCCC3)c(Cl)c1 ZINC000038068078 174079948 /nfs/dbraw/zinc/07/99/48/174079948.db2.gz SLDOOWUBXIKWFB-UHFFFAOYSA-N 0 0 295.169 4.539 10 0 CJAERN Cc1ccc(-c2ccc(SC(F)F)cc2)cc1N ZINC000038069070 174080290 /nfs/dbraw/zinc/08/02/90/174080290.db2.gz HSRCXJXCFQEPDJ-UHFFFAOYSA-N 0 0 265.328 4.559 10 0 CJAERN Cc1cc(N)ccc1-c1ccc(SC(F)F)cc1 ZINC000038069078 174080596 /nfs/dbraw/zinc/08/05/96/174080596.db2.gz CWWKZQPNKOCICW-UHFFFAOYSA-N 0 0 265.328 4.559 10 0 CJAERN Cc1ccc(N)c(-c2ccc(SC(F)F)cc2)c1 ZINC000038069079 174080402 /nfs/dbraw/zinc/08/04/02/174080402.db2.gz OSJRIXFPDLJMMZ-UHFFFAOYSA-N 0 0 265.328 4.559 10 0 CJAERN Cc1cc(-c2ccc(SC(F)F)cc2)ccc1N ZINC000038069080 174080473 /nfs/dbraw/zinc/08/04/73/174080473.db2.gz HRBBUWCKOPZRHO-UHFFFAOYSA-N 0 0 265.328 4.559 10 0 CJAERN Cc1c(C)c(C)c(-c2ccc(N)c(F)c2)c(C)c1C ZINC000038069187 174081172 /nfs/dbraw/zinc/08/11/72/174081172.db2.gz SYHDQUCLNSEXQV-UHFFFAOYSA-N 0 0 257.352 4.617 10 0 CJAERN CC(C)c1ccc(-c2cccc(N)n2)c(C(C)C)c1 ZINC000038069282 174080944 /nfs/dbraw/zinc/08/09/44/174080944.db2.gz GSKBADCYYIVCCP-UHFFFAOYSA-N 0 0 254.377 4.578 10 0 CJAERN CC(C)c1ccc(-c2cnc(N)s2)c(C(C)C)c1 ZINC000038069283 174081111 /nfs/dbraw/zinc/08/11/11/174081111.db2.gz JTYTVXKTRXBCLY-UHFFFAOYSA-N 0 0 260.406 4.639 10 0 CJAERN O=Cc1ccc(-c2cccc(Cl)c2Cl)cc1F ZINC000038069588 174080992 /nfs/dbraw/zinc/08/09/92/174080992.db2.gz VWNZKBZCKRQSAG-UHFFFAOYSA-N 0 0 269.102 4.612 10 0 CJAERN CC(=O)c1ccccc1-c1cccc(Cl)c1Cl ZINC000038069589 174081050 /nfs/dbraw/zinc/08/10/50/174081050.db2.gz XZJDNTWGDFRLIH-UHFFFAOYSA-N 0 0 265.139 4.863 10 0 CJAERN CC(=O)c1cccc(-c2cccc(Cl)c2Cl)c1 ZINC000038069590 174080962 /nfs/dbraw/zinc/08/09/62/174080962.db2.gz QLFAYFYLVUEQJP-UHFFFAOYSA-N 0 0 265.139 4.863 10 0 CJAERN O=Cc1cc(-c2cccc(Cl)c2Cl)ccc1F ZINC000038069592 174081126 /nfs/dbraw/zinc/08/11/26/174081126.db2.gz RHHZKVDLENGQAG-UHFFFAOYSA-N 0 0 269.102 4.612 10 0 CJAERN O=Cc1ccc(F)c(-c2cccc(Cl)c2Cl)c1 ZINC000038069593 174081029 /nfs/dbraw/zinc/08/10/29/174081029.db2.gz IIQBAPKIPGPWSD-UHFFFAOYSA-N 0 0 269.102 4.612 10 0 CJAERN CCC(=O)c1ccc(-c2cc(Cl)ccc2OC)cc1 ZINC000038069671 174081135 /nfs/dbraw/zinc/08/11/35/174081135.db2.gz GOHGABXLHYSOQG-UHFFFAOYSA-N 0 0 274.747 4.608 10 0 CJAERN O=Cc1ccc(-c2cc(Cl)ccc2Cl)cc1F ZINC000038069689 174081151 /nfs/dbraw/zinc/08/11/51/174081151.db2.gz TUZZMIJGXQCQIC-UHFFFAOYSA-N 0 0 269.102 4.612 10 0 CJAERN CC(=O)c1ccccc1-c1cc(Cl)ccc1Cl ZINC000038069690 174080940 /nfs/dbraw/zinc/08/09/40/174080940.db2.gz AGYOMKKEYXANPW-UHFFFAOYSA-N 0 0 265.139 4.863 10 0 CJAERN O=Cc1cc(-c2cc(Cl)ccc2Cl)ccc1F ZINC000038069692 174080846 /nfs/dbraw/zinc/08/08/46/174080846.db2.gz NQOHCMHPQYNKRB-UHFFFAOYSA-N 0 0 269.102 4.612 10 0 CJAERN CC(=O)c1ccc(-c2ccc(SC(F)F)cc2)cc1 ZINC000038069705 174080959 /nfs/dbraw/zinc/08/09/59/174080959.db2.gz HKDJVGVWZNOBHF-UHFFFAOYSA-N 0 0 278.323 4.871 10 0 CJAERN O=Cc1ccc(-c2ccc(SC(F)F)cc2)cc1F ZINC000038069707 174080835 /nfs/dbraw/zinc/08/08/35/174080835.db2.gz UQLHBSRNGCFKPQ-UHFFFAOYSA-N 0 0 282.286 4.620 10 0 CJAERN CC(=O)c1ccccc1-c1ccc(SC(F)F)cc1 ZINC000038069708 174081010 /nfs/dbraw/zinc/08/10/10/174081010.db2.gz RXJPIWBJUCMGIJ-UHFFFAOYSA-N 0 0 278.323 4.871 10 0 CJAERN CC(=O)c1cccc(-c2ccc(SC(F)F)cc2)c1 ZINC000038069710 174080837 /nfs/dbraw/zinc/08/08/37/174080837.db2.gz SZQGKWMOYRKVOL-UHFFFAOYSA-N 0 0 278.323 4.871 10 0 CJAERN O=Cc1cc(-c2ccc(SC(F)F)cc2)ccc1F ZINC000038069712 174080988 /nfs/dbraw/zinc/08/09/88/174080988.db2.gz YLKDVDIVNPQLFQ-UHFFFAOYSA-N 0 0 282.286 4.620 10 0 CJAERN O=Cc1ccc(F)c(-c2ccc(SC(F)F)cc2)c1 ZINC000038069713 174081156 /nfs/dbraw/zinc/08/11/56/174081156.db2.gz GFLXSXWFJIOMAX-UHFFFAOYSA-N 0 0 282.286 4.620 10 0 CJAERN CC(=O)c1ccc(-c2c(C)c(C)cc(C)c2C)cc1 ZINC000038071682 174082751 /nfs/dbraw/zinc/08/27/51/174082751.db2.gz UKRVBQYOLFAWAR-UHFFFAOYSA-N 0 0 252.357 4.790 10 0 CJAERN Cc1cc(C)c(C)c(-c2ccc(C=O)c(F)c2)c1C ZINC000038071684 174082839 /nfs/dbraw/zinc/08/28/39/174082839.db2.gz URRZELIDAXTUNQ-UHFFFAOYSA-N 0 0 256.320 4.539 10 0 CJAERN CC(=O)c1ccccc1-c1c(C)c(C)cc(C)c1C ZINC000038071685 174082765 /nfs/dbraw/zinc/08/27/65/174082765.db2.gz ZYAZVLSMDOROSG-UHFFFAOYSA-N 0 0 252.357 4.790 10 0 CJAERN CC(=O)c1cccc(-c2c(C)c(C)cc(C)c2C)c1 ZINC000038071687 174082695 /nfs/dbraw/zinc/08/26/95/174082695.db2.gz SIYFWOMCGVZCFH-UHFFFAOYSA-N 0 0 252.357 4.790 10 0 CJAERN Cc1cc(C)c(C)c(-c2ccc(F)c(C=O)c2)c1C ZINC000038071689 174082717 /nfs/dbraw/zinc/08/27/17/174082717.db2.gz SQFFSIDNIFUYFV-UHFFFAOYSA-N 0 0 256.320 4.539 10 0 CJAERN Cc1cc(C)c(C)c(-c2cc(C=O)ccc2F)c1C ZINC000038071690 174082491 /nfs/dbraw/zinc/08/24/91/174082491.db2.gz YXAVTLUZTDMCPO-UHFFFAOYSA-N 0 0 256.320 4.539 10 0 CJAERN CCC(=O)c1ccc(-c2c(C)cc(C)cc2C)cc1 ZINC000038071721 174082941 /nfs/dbraw/zinc/08/29/41/174082941.db2.gz JQZDMBKCTQTAPH-UHFFFAOYSA-N 0 0 252.357 4.872 10 0 CJAERN CCC(=O)c1cccc(-c2c(C)cc(C)cc2C)c1 ZINC000038071726 174082618 /nfs/dbraw/zinc/08/26/18/174082618.db2.gz XZPOOAAMGLLNBC-UHFFFAOYSA-N 0 0 252.357 4.872 10 0 CJAERN CCC(=O)c1ccc(-c2ccc(OC)c(Cl)c2)cc1 ZINC000038071878 174082774 /nfs/dbraw/zinc/08/27/74/174082774.db2.gz HNJMAWZQMKBERM-UHFFFAOYSA-N 0 0 274.747 4.608 10 0 CJAERN CCC(=O)c1cccc(-c2ccc(OC)c(Cl)c2)c1 ZINC000038071884 174082585 /nfs/dbraw/zinc/08/25/85/174082585.db2.gz XYZKUVPHBFFOJH-UHFFFAOYSA-N 0 0 274.747 4.608 10 0 CJAERN CC(C)c1ccc([C@H](O)c2ccccc2Cl)cc1 ZINC000038078391 174088532 /nfs/dbraw/zinc/08/85/32/174088532.db2.gz SRHFRCQNJMFMDP-INIZCTEOSA-N 0 0 260.764 4.545 10 0 CJAERN CC(C)c1ccc([C@@H](O)c2ccccc2Cl)cc1 ZINC000038078392 174088625 /nfs/dbraw/zinc/08/86/25/174088625.db2.gz SRHFRCQNJMFMDP-MRXNPFEDSA-N 0 0 260.764 4.545 10 0 CJAERN Cc1ccc(SCCSc2ccc(O)cc2)cc1 ZINC000038078834 174088683 /nfs/dbraw/zinc/08/86/83/174088683.db2.gz KXOOCGAHWOAJNM-UHFFFAOYSA-N 0 0 276.426 4.585 10 0 CJAERN Cc1ccc(C(C)(C)C)c(Oc2cncc(Cl)n2)c1 ZINC000038082165 174091178 /nfs/dbraw/zinc/09/11/78/174091178.db2.gz AGZDQEAEQMEZBN-UHFFFAOYSA-N 0 0 276.767 4.528 10 0 CJAERN Cc1ccc(C(C)(C)C)c(Oc2ccc(Cl)nn2)c1 ZINC000038082166 174091046 /nfs/dbraw/zinc/09/10/46/174091046.db2.gz JJJGYLVMKXDWMN-UHFFFAOYSA-N 0 0 276.767 4.528 10 0 CJAERN Clc1nsnc1Oc1ccccc1-c1ccccc1 ZINC000038082211 174091275 /nfs/dbraw/zinc/09/12/75/174091275.db2.gz GGXHSEWTFOIADU-UHFFFAOYSA-N 0 0 288.759 4.651 10 0 CJAERN Cc1ccc(Oc2cncc(Cl)n2)c(C(C)(C)C)c1 ZINC000038082212 174091135 /nfs/dbraw/zinc/09/11/35/174091135.db2.gz VIJCRGOPGSSIIS-UHFFFAOYSA-N 0 0 276.767 4.528 10 0 CJAERN Cc1ccc(Oc2ccc(Cl)nn2)c(C(C)(C)C)c1 ZINC000038082213 174091283 /nfs/dbraw/zinc/09/12/83/174091283.db2.gz BWUIBQHXVBEKCW-UHFFFAOYSA-N 0 0 276.767 4.528 10 0 CJAERN Cc1cc(C(C)(C)C)ccc1Oc1cncc(Cl)n1 ZINC000038082396 174091090 /nfs/dbraw/zinc/09/10/90/174091090.db2.gz POBYWTWHBMCYFM-UHFFFAOYSA-N 0 0 276.767 4.528 10 0 CJAERN Cc1csc(CN[C@@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000038090677 526360372 /nfs/dbraw/zinc/36/03/72/526360372.db2.gz KAFHYOZSFYBYMZ-AWEZNQCLSA-N 0 0 288.460 4.501 10 0 CJAERN Cc1csc(CN[C@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000038090678 526360558 /nfs/dbraw/zinc/36/05/58/526360558.db2.gz KAFHYOZSFYBYMZ-CQSZACIVSA-N 0 0 288.460 4.501 10 0 CJAERN C[C@H](Nc1ccc(Cl)cn1)c1cccc(Cl)c1 ZINC000038093155 174106919 /nfs/dbraw/zinc/10/69/19/174106919.db2.gz MAOSJBMPBAIBMO-VIFPVBQESA-N 0 0 267.159 4.562 10 0 CJAERN O=C(Cc1c(F)cccc1Cl)c1ccccc1Cl ZINC000038125735 174131028 /nfs/dbraw/zinc/13/10/28/174131028.db2.gz QOEXSOKHZRSTIG-UHFFFAOYSA-N 0 0 283.129 4.558 10 0 CJAERN O=C(Cc1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000038126342 174131034 /nfs/dbraw/zinc/13/10/34/174131034.db2.gz DVTGJPFYQAPPEE-UHFFFAOYSA-N 0 0 283.129 4.558 10 0 CJAERN O=C(Cc1cccc(F)c1)c1ccc(Cl)cc1Cl ZINC000038126713 174131755 /nfs/dbraw/zinc/13/17/55/174131755.db2.gz KPCBZKITRLISPK-UHFFFAOYSA-N 0 0 283.129 4.558 10 0 CJAERN CC(=O)N(c1ccccc1)c1c(Cl)cccc1Cl ZINC000038171553 174136142 /nfs/dbraw/zinc/13/61/42/174136142.db2.gz WKSKHBFEWVRZEZ-UHFFFAOYSA-N 0 0 280.154 4.678 10 0 CJAERN CCCCC(=O)C(c1ccccc1)c1ccccc1 ZINC000038222382 174137705 /nfs/dbraw/zinc/13/77/05/174137705.db2.gz KTJGHGADNRQNLD-UHFFFAOYSA-N 0 0 252.357 4.578 10 0 CJAERN CCOP(=O)(Cc1ccc2ccccc2c1)OCC ZINC000038242036 174137442 /nfs/dbraw/zinc/13/74/42/174137442.db2.gz HKUMHFGGEGJHLP-UHFFFAOYSA-N 0 0 278.288 4.606 10 0 CJAERN Cc1ccc(-c2cc(Cl)c3ccccc3n2)cc1 ZINC000038273050 174138230 /nfs/dbraw/zinc/13/82/30/174138230.db2.gz PTDZYJPNFDIGTA-UHFFFAOYSA-N 0 0 253.732 4.864 10 0 CJAERN ClC1(Cl)SC(Cl)(Cl)c2ccccc21 ZINC000038295127 174138978 /nfs/dbraw/zinc/13/89/78/174138978.db2.gz WHFXPMCWVCLWLK-UHFFFAOYSA-N 0 0 273.999 4.609 10 0 CJAERN Clc1ccccc1Nc1ccnc2ccccc21 ZINC000038303052 174138898 /nfs/dbraw/zinc/13/88/98/174138898.db2.gz RQNWFHHJWJJNKY-UHFFFAOYSA-N 0 0 254.720 4.632 10 0 CJAERN c1ccc(OCc2ccccc2COc2ccccc2)cc1 ZINC000038316304 174139502 /nfs/dbraw/zinc/13/95/02/174139502.db2.gz JTWBMEAENZGSOQ-UHFFFAOYSA-N 0 0 290.362 4.845 10 0 CJAERN Cc1cc2c(Cl)cc(C(F)(F)F)nc2cc1Cl ZINC000038337516 174140272 /nfs/dbraw/zinc/14/02/72/174140272.db2.gz ZPVJINJQOSTNAE-UHFFFAOYSA-N 0 0 280.076 4.869 10 0 CJAERN Cc1ccc2[nH]c(-c3ccccc3-c3ccccn3)nc2c1 ZINC000038352503 174141096 /nfs/dbraw/zinc/14/10/96/174141096.db2.gz VIBLMFDSXXNFCT-UHFFFAOYSA-N 0 0 285.350 4.600 10 0 CJAERN Clc1cccc(-c2nc(-c3ccccn3)co2)c1Cl ZINC000038352665 174141093 /nfs/dbraw/zinc/14/10/93/174141093.db2.gz AAWCNLJAPJLNKK-UHFFFAOYSA-N 0 0 291.137 4.710 10 0 CJAERN CC(C)CCc1ccc(Oc2ccccc2N)cc1 ZINC000038611847 174149692 /nfs/dbraw/zinc/14/96/92/174149692.db2.gz HHKMQCXXNDCKGE-UHFFFAOYSA-N 0 0 255.361 4.650 10 0 CJAERN O[C@@H](Cc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000038612134 174149871 /nfs/dbraw/zinc/14/98/71/174149871.db2.gz OXYJSBOMTWSWCH-FQEVSTJZSA-N 0 0 274.363 4.630 10 0 CJAERN O[C@H](Cc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000038612135 174150258 /nfs/dbraw/zinc/15/02/58/174150258.db2.gz OXYJSBOMTWSWCH-HXUWFJFHSA-N 0 0 274.363 4.630 10 0 CJAERN CCOC(=O)/C=C/c1ccc(C(C)C)cc1C(C)C ZINC000038612185 174149957 /nfs/dbraw/zinc/14/99/57/174149957.db2.gz XRLCQRMNGQRGOC-MDZDMXLPSA-N 0 0 260.377 4.510 10 0 CJAERN CCCCCC/C(=C\c1ccccc1)C(OC)OC ZINC000038632939 174149730 /nfs/dbraw/zinc/14/97/30/174149730.db2.gz MYVSPFCEDINMQL-JQIJEIRASA-N 0 0 262.393 4.659 10 0 CJAERN CCCCCC/C(=C/c1ccccc1)C(OC)OC ZINC000038632942 174149822 /nfs/dbraw/zinc/14/98/22/174149822.db2.gz MYVSPFCEDINMQL-PEZBUJJGSA-N 0 0 262.393 4.659 10 0 CJAERN CC[C@]1(C)CC(C)(C)c2cc3c(cc21)[C@@H](C)COC3 ZINC000038634474 174150296 /nfs/dbraw/zinc/15/02/96/174150296.db2.gz QHYRRSDBBBZQKI-KPZWWZAWSA-N 0 0 258.405 4.669 10 0 CJAERN CC[C@@]1(C)CC(C)(C)c2cc3c(cc21)[C@@H](C)COC3 ZINC000038634476 174150226 /nfs/dbraw/zinc/15/02/26/174150226.db2.gz QHYRRSDBBBZQKI-SGTLLEGYSA-N 0 0 258.405 4.669 10 0 CJAERN CC[C@]1(C)CC(C)(C)c2cc3c(cc21)[C@H](C)COC3 ZINC000038634479 174150003 /nfs/dbraw/zinc/15/00/03/174150003.db2.gz QHYRRSDBBBZQKI-KZULUSFZSA-N 0 0 258.405 4.669 10 0 CJAERN CC[C@@]1(C)CC(C)(C)c2cc3c(cc21)[C@H](C)COC3 ZINC000038634482 174149854 /nfs/dbraw/zinc/14/98/54/174149854.db2.gz QHYRRSDBBBZQKI-XIKOKIGWSA-N 0 0 258.405 4.669 10 0 CJAERN C[C@@H]1CC[C@H](CCC[C@H](O)c2ccccc2)C1(C)C ZINC000038637601 174150989 /nfs/dbraw/zinc/15/09/89/174150989.db2.gz RRRMRASQZQTKRU-PVAVHDDUSA-N 0 0 260.421 4.963 10 0 CJAERN C[C@H]1CC[C@H](CCC[C@H](O)c2ccccc2)C1(C)C ZINC000038637603 174150742 /nfs/dbraw/zinc/15/07/42/174150742.db2.gz RRRMRASQZQTKRU-XIRDDKMYSA-N 0 0 260.421 4.963 10 0 CJAERN C[C@@H]1CC[C@@H](CCC[C@H](O)c2ccccc2)C1(C)C ZINC000038637605 174150764 /nfs/dbraw/zinc/15/07/64/174150764.db2.gz RRRMRASQZQTKRU-OIISXLGYSA-N 0 0 260.421 4.963 10 0 CJAERN C[C@H]1CC[C@@H](CCC[C@H](O)c2ccccc2)C1(C)C 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CJAERN Fc1cccc2c(Nc3ccc(Cl)cc3)ccnc12 ZINC000039963759 174179960 /nfs/dbraw/zinc/17/99/60/174179960.db2.gz NCHDHSQCBAEXOU-UHFFFAOYSA-N 0 0 272.710 4.771 10 0 CJAERN Cc1ccc(Nc2ccnc3c(Cl)cccc23)cc1 ZINC000039963766 174179563 /nfs/dbraw/zinc/17/95/63/174179563.db2.gz PJMNJRVWWIAPHQ-UHFFFAOYSA-N 0 0 268.747 4.940 10 0 CJAERN COc1ccc(Nc2ccnc3c(Cl)cccc23)cc1 ZINC000039963767 174179876 /nfs/dbraw/zinc/17/98/76/174179876.db2.gz BQNIGOPFWFVTHO-UHFFFAOYSA-N 0 0 284.746 4.640 10 0 CJAERN COc1ccccc1Nc1ccnc2c(Cl)cccc12 ZINC000039963769 174179822 /nfs/dbraw/zinc/17/98/22/174179822.db2.gz UOHUVDUNXXZVTG-UHFFFAOYSA-N 0 0 284.746 4.640 10 0 CJAERN Clc1cccc2c(Nc3ccccc3)ccnc12 ZINC000039963772 174179542 /nfs/dbraw/zinc/17/95/42/174179542.db2.gz BYUMZCIYLAICCT-UHFFFAOYSA-N 0 0 254.720 4.632 10 0 CJAERN Cc1ccccc1Nc1ccnc2c(Cl)cccc12 ZINC000039963773 174179561 /nfs/dbraw/zinc/17/95/61/174179561.db2.gz UOIWVTMFVQYMNP-UHFFFAOYSA-N 0 0 268.747 4.940 10 0 CJAERN Clc1cccc2c(N3CCc4ccccc43)ccnc12 ZINC000039963777 174179904 /nfs/dbraw/zinc/17/99/04/174179904.db2.gz DFZPZKYTKARQMO-UHFFFAOYSA-N 0 0 280.758 4.582 10 0 CJAERN Cc1cccc(Nc2ccnc3c(Cl)cccc23)c1 ZINC000039963781 174179682 /nfs/dbraw/zinc/17/96/82/174179682.db2.gz DQSJDIRRSBAVHN-UHFFFAOYSA-N 0 0 268.747 4.940 10 0 CJAERN Fc1ccccc1Nc1ccnc2c(Cl)cccc12 ZINC000039963786 174179490 /nfs/dbraw/zinc/17/94/90/174179490.db2.gz BHZBTVAJDCTNNB-UHFFFAOYSA-N 0 0 272.710 4.771 10 0 CJAERN Fc1ccc(Nc2ccnc3c(Cl)cccc23)c(F)c1 ZINC000039963787 174179915 /nfs/dbraw/zinc/17/99/15/174179915.db2.gz BRLFIBFCXJSMJD-UHFFFAOYSA-N 0 0 290.700 4.910 10 0 CJAERN Fc1ccc(Nc2ccnc3c(Cl)cccc23)cc1 ZINC000039963788 174179529 /nfs/dbraw/zinc/17/95/29/174179529.db2.gz ZFHRSDKKSKANFP-UHFFFAOYSA-N 0 0 272.710 4.771 10 0 CJAERN COc1cccc(Nc2ccnc3c(Cl)cccc23)c1 ZINC000039963789 174179773 /nfs/dbraw/zinc/17/97/73/174179773.db2.gz GDHPOKPBFYEKIR-UHFFFAOYSA-N 0 0 284.746 4.640 10 0 CJAERN Clc1cccc2c(NCc3ccccc3)ccnc12 ZINC000039963806 174179736 /nfs/dbraw/zinc/17/97/36/174179736.db2.gz HNZLDTAFPYXTRN-UHFFFAOYSA-N 0 0 268.747 4.500 10 0 CJAERN Clc1cccc2c(NCCc3ccccc3)ccnc12 ZINC000039963807 174179676 /nfs/dbraw/zinc/17/96/76/174179676.db2.gz QGQKOFRNSHJKGG-UHFFFAOYSA-N 0 0 282.774 4.543 10 0 CJAERN Clc1cccc2c(NCCc3cccs3)ccnc12 ZINC000039963808 174179805 /nfs/dbraw/zinc/17/98/05/174179805.db2.gz XCMGOWKXRATEKF-UHFFFAOYSA-N 0 0 288.803 4.604 10 0 CJAERN CC(=O)c1ccccc1Nc1ccnc2c(Cl)cccc12 ZINC000039963809 174179523 /nfs/dbraw/zinc/17/95/23/174179523.db2.gz CKQBFGKHCQNFJS-UHFFFAOYSA-N 0 0 296.757 4.834 10 0 CJAERN CC(=O)c1cccc(Nc2ccnc3c(Cl)cccc23)c1 ZINC000039963810 174179880 /nfs/dbraw/zinc/17/98/80/174179880.db2.gz ZORDCSBTWSIKNN-UHFFFAOYSA-N 0 0 296.757 4.834 10 0 CJAERN Fc1cc(F)cc(Nc2ccnc3c(Cl)cccc23)c1 ZINC000039963812 174179879 /nfs/dbraw/zinc/17/98/79/174179879.db2.gz IRCUCYYKQLTXND-UHFFFAOYSA-N 0 0 290.700 4.910 10 0 CJAERN FC(F)(F)c1cccc2c(Nc3ccccc3)ccnc21 ZINC000039963829 174179810 /nfs/dbraw/zinc/17/98/10/174179810.db2.gz VBSDKAMTMSDDQM-UHFFFAOYSA-N 0 0 288.272 4.997 10 0 CJAERN Nc1ccc(-c2nc3ccc(Cl)cc3s2)c(Cl)c1 ZINC000039964931 174179715 /nfs/dbraw/zinc/17/97/15/174179715.db2.gz JJYARMJTBAZIAJ-UHFFFAOYSA-N 0 0 295.194 4.852 10 0 CJAERN CCc1ccc2oc(C(=O)Nc3ccc(C)cc3)c(C)c2c1 ZINC000040037304 174184506 /nfs/dbraw/zinc/18/45/06/174184506.db2.gz FJIRYIQHWQFZJF-UHFFFAOYSA-N 0 0 293.366 4.864 10 0 CJAERN CCc1ccc2oc(C(=O)Nc3ccc(F)cc3)c(C)c2c1 ZINC000040037334 174184544 /nfs/dbraw/zinc/18/45/44/174184544.db2.gz RXZQRUVKAIADQX-UHFFFAOYSA-N 0 0 297.329 4.695 10 0 CJAERN CCCCC1CCC(C(=O)Nc2ccccc2C)CC1 ZINC000040037770 174184039 /nfs/dbraw/zinc/18/40/39/174184039.db2.gz WLEKYOGPSJTNPG-UHFFFAOYSA-N 0 0 273.420 4.930 10 0 CJAERN CCCCC1CCC(C(=O)Nc2cccc(C)c2)CC1 ZINC000040037771 174184446 /nfs/dbraw/zinc/18/44/46/174184446.db2.gz RJXLFVZHPQWHBN-UHFFFAOYSA-N 0 0 273.420 4.930 10 0 CJAERN Cc1cc(Oc2ccc(Nc3ccccc3)cc2)nc(C)n1 ZINC000040051197 174185137 /nfs/dbraw/zinc/18/51/37/174185137.db2.gz YZFGSNJHZSCQGK-UHFFFAOYSA-N 0 0 291.354 4.629 10 0 CJAERN CCc1ccc(-c2c(C)sc3[nH]cnc(=S)c32)cc1 ZINC000040163789 174197134 /nfs/dbraw/zinc/19/71/34/174197134.db2.gz JWHCUBJABNYXLW-UHFFFAOYSA-N 0 0 286.425 4.892 10 0 CJAERN CCOC1=C[C@H](c2ccc(OC)cc2)Oc2ccc(C)cc21 ZINC000040165664 174197448 /nfs/dbraw/zinc/19/74/48/174197448.db2.gz KYXFPJSQLRNJFA-GOSISDBHSA-N 0 0 296.366 4.515 10 0 CJAERN CCOC1=C[C@@H](c2ccc(OC)cc2)Oc2ccc(C)cc21 ZINC000040165665 174197667 /nfs/dbraw/zinc/19/76/67/174197667.db2.gz KYXFPJSQLRNJFA-SFHVURJKSA-N 0 0 296.366 4.515 10 0 CJAERN Cc1ccc(CSc2ccc3ccccc3n2)cc1 ZINC000040165954 174197764 /nfs/dbraw/zinc/19/77/64/174197764.db2.gz IIXNGMKBPWGYIG-UHFFFAOYSA-N 0 0 265.381 4.836 10 0 CJAERN Cc1ccccc1CSc1ccc2ccccc2n1 ZINC000040165965 174197637 /nfs/dbraw/zinc/19/76/37/174197637.db2.gz MAYLZBMEJMCYHL-UHFFFAOYSA-N 0 0 265.381 4.836 10 0 CJAERN Cc1cccc(CSc2ccc3ccccc3n2)c1 ZINC000040165968 174197563 /nfs/dbraw/zinc/19/75/63/174197563.db2.gz NQORRNNCLBRXKJ-UHFFFAOYSA-N 0 0 265.381 4.836 10 0 CJAERN Cc1ccc(OCCSc2ccc3ccccc3n2)cc1 ZINC000040165992 174197564 /nfs/dbraw/zinc/19/75/64/174197564.db2.gz PAOHNFBLHBKYKP-UHFFFAOYSA-N 0 0 295.407 4.714 10 0 CJAERN Cc1cc(SCCc2ccccc2)nc2ccccc12 ZINC000040166024 174197381 /nfs/dbraw/zinc/19/73/81/174197381.db2.gz HAXSALJMQYDRTM-UHFFFAOYSA-N 0 0 279.408 4.878 10 0 CJAERN Cc1cc(SCc2ccc(F)cc2)nc2ccccc12 ZINC000040166028 174197818 /nfs/dbraw/zinc/19/78/18/174197818.db2.gz BMOGSAIZIFMSJV-UHFFFAOYSA-N 0 0 283.371 4.975 10 0 CJAERN COc1cccc2c(C)cc(SCc3ccccc3)nc12 ZINC000040167507 174199176 /nfs/dbraw/zinc/19/91/76/174199176.db2.gz WHUHHCNSCZFGSS-UHFFFAOYSA-N 0 0 295.407 4.844 10 0 CJAERN CC(C)c1ccccc1O[C@@H](C)c1nc2ccccc2[nH]1 ZINC000040169859 174199951 /nfs/dbraw/zinc/19/99/51/174199951.db2.gz JUHFQOPLPYASHS-ZDUSSCGKSA-N 0 0 280.371 4.826 10 0 CJAERN CC(C)c1ccc(O[C@@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000040169866 174199866 /nfs/dbraw/zinc/19/98/66/174199866.db2.gz XBAWGWDVCTYAJM-ZDUSSCGKSA-N 0 0 280.371 4.826 10 0 CJAERN CC(C)c1ccc(O[C@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000040169868 174199966 /nfs/dbraw/zinc/19/99/66/174199966.db2.gz XBAWGWDVCTYAJM-CYBMUJFWSA-N 0 0 280.371 4.826 10 0 CJAERN Cc1cc(C)c2nc(C)cc(NC(=O)C3CCCCC3)c2c1 ZINC000040177077 174202333 /nfs/dbraw/zinc/20/23/33/174202333.db2.gz ZRXCAKHUSPAXOU-UHFFFAOYSA-N 0 0 296.414 4.679 10 0 CJAERN CCC(CC)C(=O)Nc1cc(C)nc2c(C)cc(C)cc12 ZINC000040177098 174202447 /nfs/dbraw/zinc/20/24/47/174202447.db2.gz WVNWIWIGZZCFCG-UHFFFAOYSA-N 0 0 284.403 4.535 10 0 CJAERN Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(C)cc1 ZINC000040178591 174203087 /nfs/dbraw/zinc/20/30/87/174203087.db2.gz SLUXHZZFQUTOGF-UHFFFAOYSA-N 0 0 291.350 4.816 10 0 CJAERN Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(C)c1 ZINC000040178592 174202801 /nfs/dbraw/zinc/20/28/01/174202801.db2.gz MDJQMAKRAGUFTK-UHFFFAOYSA-N 0 0 291.350 4.816 10 0 CJAERN Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccccc1F ZINC000040178603 174202930 /nfs/dbraw/zinc/20/29/30/174202930.db2.gz RILGMTJJFHJNOY-UHFFFAOYSA-N 0 0 295.313 4.646 10 0 CJAERN Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(F)c1 ZINC000040178604 174203241 /nfs/dbraw/zinc/20/32/41/174203241.db2.gz HTAOCBYSGFULHB-UHFFFAOYSA-N 0 0 295.313 4.646 10 0 CJAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1ccccc1 ZINC000040178685 174203267 /nfs/dbraw/zinc/20/32/67/174203267.db2.gz PGBARMXEEYWXRE-UHFFFAOYSA-N 0 0 291.350 4.816 10 0 CJAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)NC1CCCCC1 ZINC000040178753 174203237 /nfs/dbraw/zinc/20/32/37/174203237.db2.gz VNMFARGTVMBNHM-UHFFFAOYSA-N 0 0 297.398 4.626 10 0 CJAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1ccccc1 ZINC000040178797 174203199 /nfs/dbraw/zinc/20/31/99/174203199.db2.gz JALIDKRDUPFLJA-UHFFFAOYSA-N 0 0 295.313 4.646 10 0 CJAERN CCc1ccccc1NC(=O)c1oc2ccc(C)cc2c1C ZINC000040179609 174202856 /nfs/dbraw/zinc/20/28/56/174202856.db2.gz YPDXIHISCPMEAK-UHFFFAOYSA-N 0 0 293.366 4.864 10 0 CJAERN Cn1c2ccccc2nc1Cc1ccc(-c2ccccc2)cc1 ZINC000040210533 174203505 /nfs/dbraw/zinc/20/35/05/174203505.db2.gz XGXVPFXWQQNSPF-UHFFFAOYSA-N 0 0 298.389 4.831 10 0 CJAERN CCCn1c2ccccc2nc1-c1ccc(C)cc1C ZINC000040210676 174203631 /nfs/dbraw/zinc/20/36/31/174203631.db2.gz NCNJFABMBXCRJC-UHFFFAOYSA-N 0 0 264.372 4.730 10 0 CJAERN Cc1ccc(-c2nc3ccccc3n2CC(C)C)c(C)c1 ZINC000040210677 174203642 /nfs/dbraw/zinc/20/36/42/174203642.db2.gz STWMOXQSTISVOY-UHFFFAOYSA-N 0 0 278.399 4.976 10 0 CJAERN Cc1ccc(C(C)C)c(OCCn2cnc3ccccc32)c1 ZINC000040223917 174207346 /nfs/dbraw/zinc/20/73/46/174207346.db2.gz CCESXGLRFAVYAI-UHFFFAOYSA-N 0 0 294.398 4.547 10 0 CJAERN CC(C)c1ccc(OCCCn2cnc3ccccc32)cc1 ZINC000040223954 174207400 /nfs/dbraw/zinc/20/74/00/174207400.db2.gz NTMUZNKCULCVJW-UHFFFAOYSA-N 0 0 294.398 4.629 10 0 CJAERN Cc1cccc(C)c1OCCCCn1cnc2ccccc21 ZINC000040223966 174207382 /nfs/dbraw/zinc/20/73/82/174207382.db2.gz XSVSFTQXGMGYLZ-UHFFFAOYSA-N 0 0 294.398 4.512 10 0 CJAERN Cc1cc(C)cc(OCCCCn2cnc3ccccc32)c1 ZINC000040223976 174207357 /nfs/dbraw/zinc/20/73/57/174207357.db2.gz BTODPDNKGMNVLJ-UHFFFAOYSA-N 0 0 294.398 4.512 10 0 CJAERN Cc1nc2ccccc2n1CCOc1ccccc1C(C)C ZINC000040224639 174207863 /nfs/dbraw/zinc/20/78/63/174207863.db2.gz LNHHBSMPYVPASE-UHFFFAOYSA-N 0 0 294.398 4.547 10 0 CJAERN Cc1nc2ccccc2n1CCOc1ccc(C(C)C)cc1 ZINC000040224656 174208279 /nfs/dbraw/zinc/20/82/79/174208279.db2.gz IKTIVHBDHFJVQS-UHFFFAOYSA-N 0 0 294.398 4.547 10 0 CJAERN CCCn1c2ccccc2nc1Cc1ccccc1Cl ZINC000040225624 174208890 /nfs/dbraw/zinc/20/88/90/174208890.db2.gz PCJJXBDTPYEREN-UHFFFAOYSA-N 0 0 284.790 4.691 10 0 CJAERN CC(C)Cn1c2ccccc2nc1Cc1ccccc1Cl ZINC000040225626 174208492 /nfs/dbraw/zinc/20/84/92/174208492.db2.gz OHROMXBTNIGOMW-UHFFFAOYSA-N 0 0 298.817 4.937 10 0 CJAERN CCCn1c2ccccc2nc1Cc1ccc(Cl)cc1 ZINC000040225946 174208883 /nfs/dbraw/zinc/20/88/83/174208883.db2.gz BDSNCQDYHNHRIP-UHFFFAOYSA-N 0 0 284.790 4.691 10 0 CJAERN Cc1ccccc1Cc1nc2ccccc2n1CC(C)C ZINC000040226376 174208501 /nfs/dbraw/zinc/20/85/01/174208501.db2.gz CISDKAMKFFKBAX-UHFFFAOYSA-N 0 0 278.399 4.592 10 0 CJAERN CCCCn1c2ccccc2nc1Cc1ccccc1C ZINC000040226386 174208927 /nfs/dbraw/zinc/20/89/27/174208927.db2.gz SZFUKICNJSKSGJ-UHFFFAOYSA-N 0 0 278.399 4.736 10 0 CJAERN Cc1ccccc1Cc1nc2ccccc2n1CCC(C)C ZINC000040226392 174208725 /nfs/dbraw/zinc/20/87/25/174208725.db2.gz NTXVIQHKKCHWNU-UHFFFAOYSA-N 0 0 292.426 4.982 10 0 CJAERN CC(C)c1nc2ccccc2n1CCCc1ccccc1 ZINC000040231233 174210212 /nfs/dbraw/zinc/21/02/12/174210212.db2.gz NRDVUYZJEIPWLF-UHFFFAOYSA-N 0 0 278.399 4.793 10 0 CJAERN Cc1ccccc1OCCn1c2ccccc2nc1C(C)C ZINC000040231234 174209809 /nfs/dbraw/zinc/20/98/09/174209809.db2.gz XPOPOTVVPYQVMC-UHFFFAOYSA-N 0 0 294.398 4.547 10 0 CJAERN Cc1cccc(OCCn2c3ccccc3nc2C(C)C)c1 ZINC000040231257 174209899 /nfs/dbraw/zinc/20/98/99/174209899.db2.gz WQZNCBZTOUTKEX-UHFFFAOYSA-N 0 0 294.398 4.547 10 0 CJAERN CCCCCCn1c2ccccc2nc1C(F)(F)F ZINC000040231758 174210488 /nfs/dbraw/zinc/21/04/88/174210488.db2.gz SCRFTVABWMOXNI-UHFFFAOYSA-N 0 0 270.298 4.635 10 0 CJAERN Cc1cccc(OCc2nc3ccccc3n2CC(C)C)c1 ZINC000040233980 174211405 /nfs/dbraw/zinc/21/14/05/174211405.db2.gz KZOUQJQWAUKALC-UHFFFAOYSA-N 0 0 294.398 4.580 10 0 CJAERN CCCCn1c(COc2cccc(C)c2)nc2ccccc21 ZINC000040233990 174211009 /nfs/dbraw/zinc/21/10/09/174211009.db2.gz LODZJDFLBLFIJC-UHFFFAOYSA-N 0 0 294.398 4.724 10 0 CJAERN CCCn1c(COc2ccc(CC)cc2)nc2ccccc21 ZINC000040234966 174212268 /nfs/dbraw/zinc/21/22/68/174212268.db2.gz UWOJWXLMXWHHOY-UHFFFAOYSA-N 0 0 294.398 4.588 10 0 CJAERN CCn1c(COc2ccc(C(C)C)cc2)nc2ccccc21 ZINC000040235573 174212065 /nfs/dbraw/zinc/21/20/65/174212065.db2.gz JYCQQKUBABNCLV-UHFFFAOYSA-N 0 0 294.398 4.759 10 0 CJAERN CCCCCCn1c2ccccc2nc1-c1ccco1 ZINC000040238987 174212092 /nfs/dbraw/zinc/21/20/92/174212092.db2.gz PXPSMMJFPAQEQT-UHFFFAOYSA-N 0 0 268.360 4.877 10 0 CJAERN Cc1ccccc1Cn1c2ccccc2nc1-c1ccco1 ZINC000040238990 174212239 /nfs/dbraw/zinc/21/22/39/174212239.db2.gz BJIYRQPNTXGYAZ-UHFFFAOYSA-N 0 0 288.350 4.653 10 0 CJAERN Cc1cccc(Cn2c3ccccc3nc2-c2ccco2)c1 ZINC000040238991 174212090 /nfs/dbraw/zinc/21/20/90/174212090.db2.gz UHBHXPCMZUOJAD-UHFFFAOYSA-N 0 0 288.350 4.653 10 0 CJAERN CCCCCCn1c2ccccc2nc1C(C)(C)C ZINC000040239210 174212179 /nfs/dbraw/zinc/21/21/79/174212179.db2.gz JTRWLKVOWCIJFK-UHFFFAOYSA-N 0 0 258.409 4.914 10 0 CJAERN CC(C)(C)c1nc2ccccc2n1CCCc1ccccc1 ZINC000040239217 174212320 /nfs/dbraw/zinc/21/23/20/174212320.db2.gz BAULDXWZNNCFTF-UHFFFAOYSA-N 0 0 292.426 4.967 10 0 CJAERN Cc1ccccc1-c1nc2ccccc2n1CC(C)C ZINC000040239444 174212087 /nfs/dbraw/zinc/21/20/87/174212087.db2.gz AKIKZMNICJZXIQ-UHFFFAOYSA-N 0 0 264.372 4.668 10 0 CJAERN CCCCn1c2ccccc2nc1-c1ccccc1C ZINC000040239448 174212055 /nfs/dbraw/zinc/21/20/55/174212055.db2.gz CFHWQLIEMRQNSU-UHFFFAOYSA-N 0 0 264.372 4.812 10 0 CJAERN CCc1ccc([C@H](O)c2ccc(C(C)C)cc2)s1 ZINC000040242740 174213681 /nfs/dbraw/zinc/21/36/81/174213681.db2.gz WRHXWUWDVSCALR-MRXNPFEDSA-N 0 0 260.402 4.516 10 0 CJAERN CCc1ccc([C@@H](O)c2ccc(C(C)C)cc2)s1 ZINC000040242741 174213358 /nfs/dbraw/zinc/21/33/58/174213358.db2.gz WRHXWUWDVSCALR-INIZCTEOSA-N 0 0 260.402 4.516 10 0 CJAERN O[C@@H](c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000040243827 174214221 /nfs/dbraw/zinc/21/42/21/174214221.db2.gz LLELCYHOZXLHTP-ZDUSSCGKSA-N 0 0 287.573 4.729 10 0 CJAERN O[C@H](c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000040243828 174214156 /nfs/dbraw/zinc/21/41/56/174214156.db2.gz LLELCYHOZXLHTP-CYBMUJFWSA-N 0 0 287.573 4.729 10 0 CJAERN O[C@H](c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 ZINC000040245078 174214659 /nfs/dbraw/zinc/21/46/59/174214659.db2.gz YLQXJVHKKDTJBJ-IBGZPJMESA-N 0 0 278.326 4.574 10 0 CJAERN O[C@@H](c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 ZINC000040245079 174214599 /nfs/dbraw/zinc/21/45/99/174214599.db2.gz YLQXJVHKKDTJBJ-LJQANCHMSA-N 0 0 278.326 4.574 10 0 CJAERN Cc1cccc([C@H](O)c2ccc(-c3ccccc3)cc2)c1 ZINC000040245080 174214611 /nfs/dbraw/zinc/21/46/11/174214611.db2.gz GSSQEWOYQPQCQE-HXUWFJFHSA-N 0 0 274.363 4.744 10 0 CJAERN Cc1cccc([C@@H](O)c2ccc(-c3ccccc3)cc2)c1 ZINC000040245081 174214591 /nfs/dbraw/zinc/21/45/91/174214591.db2.gz GSSQEWOYQPQCQE-FQEVSTJZSA-N 0 0 274.363 4.744 10 0 CJAERN O[C@@H](c1ccc(-c2ccccc2)cc1)c1cccc(F)c1 ZINC000040245086 174214587 /nfs/dbraw/zinc/21/45/87/174214587.db2.gz YNMMBPYXAAQFLA-IBGZPJMESA-N 0 0 278.326 4.574 10 0 CJAERN O[C@H](c1ccc(-c2ccccc2)cc1)c1cccc(F)c1 ZINC000040245087 174214536 /nfs/dbraw/zinc/21/45/36/174214536.db2.gz YNMMBPYXAAQFLA-LJQANCHMSA-N 0 0 278.326 4.574 10 0 CJAERN O[C@@H](c1ccc(-c2ccccc2)cc1)c1ccccc1F ZINC000040245092 174214641 /nfs/dbraw/zinc/21/46/41/174214641.db2.gz YYKUTLQPRCALFX-IBGZPJMESA-N 0 0 278.326 4.574 10 0 CJAERN O[C@H](c1ccc(-c2ccccc2)cc1)c1ccccc1F ZINC000040245093 174214636 /nfs/dbraw/zinc/21/46/36/174214636.db2.gz YYKUTLQPRCALFX-LJQANCHMSA-N 0 0 278.326 4.574 10 0 CJAERN Cc1ccc([C@H](O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000040245100 174214650 /nfs/dbraw/zinc/21/46/50/174214650.db2.gz KMPXXOXHTAWMCH-FQEVSTJZSA-N 0 0 274.363 4.744 10 0 CJAERN Cc1ccc([C@@H](O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000040245101 174214602 /nfs/dbraw/zinc/21/46/02/174214602.db2.gz KMPXXOXHTAWMCH-HXUWFJFHSA-N 0 0 274.363 4.744 10 0 CJAERN Cc1ccccc1[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000040245112 174214548 /nfs/dbraw/zinc/21/45/48/174214548.db2.gz CNLZFAVUNXSZIP-HXUWFJFHSA-N 0 0 274.363 4.744 10 0 CJAERN Cc1ccccc1[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000040245113 174214615 /nfs/dbraw/zinc/21/46/15/174214615.db2.gz CNLZFAVUNXSZIP-FQEVSTJZSA-N 0 0 274.363 4.744 10 0 CJAERN Cc1ccc([C@H](O)c2ccc(Cl)cc2Cl)c(C)c1 ZINC000040245792 328326812 /nfs/dbraw/zinc/32/68/12/328326812.db2.gz ANVBJPPJPDODPR-HNNXBMFYSA-N 0 0 281.182 4.692 10 0 CJAERN Cc1ccc([C@@H](O)c2ccc(Cl)cc2Cl)c(C)c1 ZINC000040245793 328326909 /nfs/dbraw/zinc/32/69/09/328326909.db2.gz ANVBJPPJPDODPR-OAHLLOKOSA-N 0 0 281.182 4.692 10 0 CJAERN Cc1ccc([C@H](O)c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000040245804 328326918 /nfs/dbraw/zinc/32/69/18/328326918.db2.gz JPJBWBOUBITBMV-OAHLLOKOSA-N 0 0 281.182 4.692 10 0 CJAERN Cc1ccc([C@@H](O)c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000040245805 328326940 /nfs/dbraw/zinc/32/69/40/328326940.db2.gz JPJBWBOUBITBMV-HNNXBMFYSA-N 0 0 281.182 4.692 10 0 CJAERN CCCCn1c2ccccc2nc1-c1cccc(OC)c1 ZINC000040250089 174215382 /nfs/dbraw/zinc/21/53/82/174215382.db2.gz ZAVYCTYPQMAYCU-UHFFFAOYSA-N 0 0 280.371 4.512 10 0 CJAERN COc1cccc(-c2nc3ccccc3n2CCC(C)C)c1 ZINC000040250092 174215513 /nfs/dbraw/zinc/21/55/13/174215513.db2.gz NRFQPNQSQMOKKO-UHFFFAOYSA-N 0 0 294.398 4.758 10 0 CJAERN CCCCCn1c2ccccc2nc1-c1cccc(OC)c1 ZINC000040250093 174215528 /nfs/dbraw/zinc/21/55/28/174215528.db2.gz HRHKYGVUTIDELE-UHFFFAOYSA-N 0 0 294.398 4.902 10 0 CJAERN CCCn1c2ccccc2nc1-c1cccc(Cl)c1 ZINC000040250366 174215733 /nfs/dbraw/zinc/21/57/33/174215733.db2.gz GLDKOVGONLRQMC-UHFFFAOYSA-N 0 0 270.763 4.767 10 0 CJAERN CCc1ccc([C@H](O)c2ccc(Cl)cc2Cl)cc1 ZINC000040254751 328326950 /nfs/dbraw/zinc/32/69/50/328326950.db2.gz LOBRMGAVLAHRPS-HNNXBMFYSA-N 0 0 281.182 4.638 10 0 CJAERN CCc1ccc([C@@H](O)c2ccc(Cl)cc2Cl)cc1 ZINC000040254753 328326956 /nfs/dbraw/zinc/32/69/56/328326956.db2.gz LOBRMGAVLAHRPS-OAHLLOKOSA-N 0 0 281.182 4.638 10 0 CJAERN CCc1ccc([C@H](O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000040254765 328326896 /nfs/dbraw/zinc/32/68/96/328326896.db2.gz VZSTTZVATXJRKH-HNNXBMFYSA-N 0 0 281.182 4.638 10 0 CJAERN CCc1ccc([C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000040254767 328326921 /nfs/dbraw/zinc/32/69/21/328326921.db2.gz VZSTTZVATXJRKH-OAHLLOKOSA-N 0 0 281.182 4.638 10 0 CJAERN O[C@@H](c1ccccc1Cl)c1cc(Cl)ccc1Cl ZINC000040260649 174217009 /nfs/dbraw/zinc/21/70/09/174217009.db2.gz MPHRKFCCDVRPOD-ZDUSSCGKSA-N 0 0 287.573 4.729 10 0 CJAERN O[C@H](c1ccccc1Cl)c1cc(Cl)ccc1Cl ZINC000040260650 174216942 /nfs/dbraw/zinc/21/69/42/174216942.db2.gz MPHRKFCCDVRPOD-CYBMUJFWSA-N 0 0 287.573 4.729 10 0 CJAERN CC(C)c1ccc([C@H](O)c2cccc(Cl)c2)cc1 ZINC000040263787 174217659 /nfs/dbraw/zinc/21/76/59/174217659.db2.gz ZCGIMQGDNBVKFE-INIZCTEOSA-N 0 0 260.764 4.545 10 0 CJAERN CC(C)c1ccc([C@@H](O)c2cccc(Cl)c2)cc1 ZINC000040263788 174218107 /nfs/dbraw/zinc/21/81/07/174218107.db2.gz ZCGIMQGDNBVKFE-MRXNPFEDSA-N 0 0 260.764 4.545 10 0 CJAERN Clc1cccc(Nc2nc3ccccc3nc2Cl)c1 ZINC000040312258 174230802 /nfs/dbraw/zinc/23/08/02/174230802.db2.gz BIKGGUHEIDNCGB-UHFFFAOYSA-N 0 0 290.153 4.680 10 0 CJAERN Cc1cc(C)cc(Nc2nc3ccccc3nc2Cl)c1 ZINC000040312260 174230958 /nfs/dbraw/zinc/23/09/58/174230958.db2.gz ODDZTYYNMJGEAO-UHFFFAOYSA-N 0 0 283.762 4.644 10 0 CJAERN Cc1c(Cl)ccc2c(NNc3ccccc3)ccnc12 ZINC000040358906 174246303 /nfs/dbraw/zinc/24/63/03/174246303.db2.gz IPNYKXPWNYDQNV-UHFFFAOYSA-N 0 0 283.762 4.636 10 0 CJAERN COc1ccc(Nc2ccnc3c(C)c(Cl)ccc23)cc1 ZINC000040358918 174246308 /nfs/dbraw/zinc/24/63/08/174246308.db2.gz YHSVAZSFJMJREO-UHFFFAOYSA-N 0 0 298.773 4.949 10 0 CJAERN COc1ccccc1Nc1ccnc2c(C)c(Cl)ccc12 ZINC000040358922 174246088 /nfs/dbraw/zinc/24/60/88/174246088.db2.gz BQUOWJVGIPHPKN-UHFFFAOYSA-N 0 0 298.773 4.949 10 0 CJAERN Cc1c(Cl)ccc2c(Nc3ccccc3)ccnc12 ZINC000040358928 174246273 /nfs/dbraw/zinc/24/62/73/174246273.db2.gz SAJWBOUDBCACKK-UHFFFAOYSA-N 0 0 268.747 4.940 10 0 CJAERN COc1cccc(Nc2ccnc3c(C)c(Cl)ccc23)c1 ZINC000040358958 174246312 /nfs/dbraw/zinc/24/63/12/174246312.db2.gz RHFZWCUMWCWKCQ-UHFFFAOYSA-N 0 0 298.773 4.949 10 0 CJAERN Cc1c(Cl)ccc2c(NCc3ccccc3)ccnc12 ZINC000040358978 174246358 /nfs/dbraw/zinc/24/63/58/174246358.db2.gz ILZLMLPISLQQDV-UHFFFAOYSA-N 0 0 282.774 4.809 10 0 CJAERN Cc1c(Cl)ccc2c(NCCc3ccccc3)ccnc12 ZINC000040358980 174246043 /nfs/dbraw/zinc/24/60/43/174246043.db2.gz TUSPVRVYNYBWLG-UHFFFAOYSA-N 0 0 296.801 4.851 10 0 CJAERN Oc1ccc(-c2ccc(-c3ccccc3)s2)cc1 ZINC000040379444 174250254 /nfs/dbraw/zinc/25/02/54/174250254.db2.gz CSKBVNGOXRUSFF-UHFFFAOYSA-N 0 0 252.338 4.788 10 0 CJAERN CCc1ccc(-c2cn3cc(Cl)cc(C)c3n2)cc1 ZINC000040383795 174251637 /nfs/dbraw/zinc/25/16/37/174251637.db2.gz OTYYLYKQAKJJEM-UHFFFAOYSA-N 0 0 270.763 4.526 10 0 CJAERN Cc1cc(Cl)cn2cc(-c3ccc(Cl)cc3)nc12 ZINC000040383800 174251536 /nfs/dbraw/zinc/25/15/36/174251536.db2.gz PQWLTLIUBZWKQR-UHFFFAOYSA-N 0 0 277.154 4.617 10 0 CJAERN Cc1cc(Cl)cn2cc(-c3ccc(C)c(C)c3)nc12 ZINC000040383809 174251387 /nfs/dbraw/zinc/25/13/87/174251387.db2.gz JRMYJEUOZXAKQO-UHFFFAOYSA-N 0 0 270.763 4.580 10 0 CJAERN Cc1c(Cl)cn2cc(-c3ccccc3)nc2c1Cl ZINC000040383824 174251701 /nfs/dbraw/zinc/25/17/01/174251701.db2.gz IDEIAILQBPJOFF-UHFFFAOYSA-N 0 0 277.154 4.617 10 0 CJAERN Cc1ccc(-c2cn3cc(Cl)c(C)c(Cl)c3n2)cc1 ZINC000040383827 174251498 /nfs/dbraw/zinc/25/14/98/174251498.db2.gz DAGHEXWAIYXXSU-UHFFFAOYSA-N 0 0 291.181 4.925 10 0 CJAERN Cc1c(Cl)cn2cc(-c3ccc(F)cc3)nc2c1Cl ZINC000040383841 174251667 /nfs/dbraw/zinc/25/16/67/174251667.db2.gz WCRXCQDZPVLJFU-UHFFFAOYSA-N 0 0 295.144 4.756 10 0 CJAERN CCOCCCn1c2ccccc2nc1C1CCCCC1 ZINC000040389480 174252506 /nfs/dbraw/zinc/25/25/06/174252506.db2.gz WXWYKXKRAXIEAR-UHFFFAOYSA-N 0 0 286.419 4.511 10 0 CJAERN c1coc(Cn2c3ccccc3nc2C2CCCCC2)c1 ZINC000040390268 174252226 /nfs/dbraw/zinc/25/22/26/174252226.db2.gz HBUVFGLIUCZMGF-UHFFFAOYSA-N 0 0 280.371 4.725 10 0 CJAERN Cc1ccccc1-c1nc2ccccc2n1Cc1ccco1 ZINC000040390306 174252499 /nfs/dbraw/zinc/25/24/99/174252499.db2.gz WZRBSNXTXPDVPB-UHFFFAOYSA-N 0 0 288.350 4.653 10 0 CJAERN Cc1ccc(-c2nc3ccccc3n2Cc2ccco2)cc1 ZINC000040390310 174252429 /nfs/dbraw/zinc/25/24/29/174252429.db2.gz QZAFWEAZQVDYIE-UHFFFAOYSA-N 0 0 288.350 4.653 10 0 CJAERN Cc1cccc(-c2nc3ccccc3n2Cc2ccco2)c1 ZINC000040390312 174252196 /nfs/dbraw/zinc/25/21/96/174252196.db2.gz PJHPYSFXWLXDMA-UHFFFAOYSA-N 0 0 288.350 4.653 10 0 CJAERN Oc1cccc(-c2cc(-c3ccccc3)cs2)c1 ZINC000040393333 174252461 /nfs/dbraw/zinc/25/24/61/174252461.db2.gz SVOZBIDMWRGDSX-UHFFFAOYSA-N 0 0 252.338 4.788 10 0 CJAERN Clc1ccc2c(c1)[C@H](Nc1nc3ccccc3[nH]1)CCC2 ZINC000040393420 174252177 /nfs/dbraw/zinc/25/21/77/174252177.db2.gz OJFKMFUSWAIMDW-CQSZACIVSA-N 0 0 297.789 4.706 10 0 CJAERN Clc1ccc2c(c1)[C@@H](Nc1nc3ccccc3[nH]1)CCC2 ZINC000040393421 174252488 /nfs/dbraw/zinc/25/24/88/174252488.db2.gz OJFKMFUSWAIMDW-AWEZNQCLSA-N 0 0 297.789 4.706 10 0 CJAERN Cc1cc(C)cc(Nc2cc(C)c3ccccc3n2)c1 ZINC000040400809 174253336 /nfs/dbraw/zinc/25/33/36/174253336.db2.gz MNJZHJBBNFOMLC-UHFFFAOYSA-N 0 0 262.356 4.904 10 0 CJAERN Cc1cc(Nc2ccc(F)cc2F)nc2ccccc12 ZINC000040400818 174253287 /nfs/dbraw/zinc/25/32/87/174253287.db2.gz UILUBJLZZYCEGQ-UHFFFAOYSA-N 0 0 270.282 4.565 10 0 CJAERN CC(C)(C)c1nc2cc(Cl)ccc2n1Cc1ccco1 ZINC000040409860 174254572 /nfs/dbraw/zinc/25/45/72/174254572.db2.gz APNQCFCQSFMNGW-UHFFFAOYSA-N 0 0 288.778 4.629 10 0 CJAERN CC(C)(C)c1nc2ccc(Cl)cc2n1Cc1ccco1 ZINC000040409864 174254627 /nfs/dbraw/zinc/25/46/27/174254627.db2.gz RWJBPYGCMJYMDO-UHFFFAOYSA-N 0 0 288.778 4.629 10 0 CJAERN Clc1ccc2nc(-c3ccco3)n(Cc3ccco3)c2c1 ZINC000040410080 174254466 /nfs/dbraw/zinc/25/44/66/174254466.db2.gz NEEDZFGQYUCDPN-UHFFFAOYSA-N 0 0 298.729 4.591 10 0 CJAERN Clc1ccc2c(c1)nc(-c1ccco1)n2Cc1ccco1 ZINC000040410084 174254409 /nfs/dbraw/zinc/25/44/09/174254409.db2.gz ARJBEOWPCFULOI-UHFFFAOYSA-N 0 0 298.729 4.591 10 0 CJAERN Cn1c2ccc(C(F)(F)F)cc2nc1C1CCCCC1 ZINC000040410233 174254600 /nfs/dbraw/zinc/25/46/00/174254600.db2.gz NGMQOSUCFKSRMI-UHFFFAOYSA-N 0 0 282.309 4.640 10 0 CJAERN Cc1ccccc1-c1nc2cc(C(F)(F)F)ccc2n1C ZINC000040410309 174254399 /nfs/dbraw/zinc/25/43/99/174254399.db2.gz YZSBFCJJOLCOPK-UHFFFAOYSA-N 0 0 290.288 4.568 10 0 CJAERN Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C)cc1 ZINC000040410317 174254676 /nfs/dbraw/zinc/25/46/76/174254676.db2.gz ZPAUEWJHGXCBBD-UHFFFAOYSA-N 0 0 290.288 4.568 10 0 CJAERN CC(=O)c1cc(C)ccc1OCc1c(F)cccc1Cl ZINC000040411285 174254620 /nfs/dbraw/zinc/25/46/20/174254620.db2.gz ZOLVYIVLSRTUSK-UHFFFAOYSA-N 0 0 292.737 4.569 10 0 CJAERN Cc1cccc(-c2nc3cc(C(F)(F)F)ccc3n2C)c1 ZINC000040417010 174255859 /nfs/dbraw/zinc/25/58/59/174255859.db2.gz OBLFXFKPEXOASX-UHFFFAOYSA-N 0 0 290.288 4.568 10 0 CJAERN CCn1c2ccc(C(F)(F)F)cc2nc1-c1cccs1 ZINC000040417151 174256031 /nfs/dbraw/zinc/25/60/31/174256031.db2.gz RRPVTCISNCQYNE-UHFFFAOYSA-N 0 0 296.317 4.804 10 0 CJAERN CCn1c2ccc(C(F)(F)F)cc2nc1-c1ccccc1 ZINC000040417152 174256093 /nfs/dbraw/zinc/25/60/93/174256093.db2.gz NYVHHXWPPUXNHU-UHFFFAOYSA-N 0 0 290.288 4.742 10 0 CJAERN CCn1c2cc(Cl)ccc2nc1C1CCCCC1 ZINC000040417203 174256068 /nfs/dbraw/zinc/25/60/68/174256068.db2.gz VXIOFWPCNLMYEU-UHFFFAOYSA-N 0 0 262.784 4.757 10 0 CJAERN CCn1c2ccc(Cl)cc2nc1C1CCCCC1 ZINC000040417204 174255899 /nfs/dbraw/zinc/25/58/99/174255899.db2.gz OPOFBHLVHCCGHZ-UHFFFAOYSA-N 0 0 262.784 4.757 10 0 CJAERN CCn1c2cc(Cl)ccc2nc1-c1ccccc1C ZINC000040417207 174255919 /nfs/dbraw/zinc/25/59/19/174255919.db2.gz JCWRBHULHUXVFP-UHFFFAOYSA-N 0 0 270.763 4.685 10 0 CJAERN CCn1c2ccc(Cl)cc2nc1-c1ccccc1C ZINC000040417208 174256028 /nfs/dbraw/zinc/25/60/28/174256028.db2.gz HHUOIPSLNJVHSZ-UHFFFAOYSA-N 0 0 270.763 4.685 10 0 CJAERN CCn1c2ccc(Cl)cc2nc1-c1cccc(C)c1 ZINC000040417209 174256087 /nfs/dbraw/zinc/25/60/87/174256087.db2.gz MZOIZMWCFPEFOV-UHFFFAOYSA-N 0 0 270.763 4.685 10 0 CJAERN CCn1c2cc(Cl)ccc2nc1-c1cccc(C)c1 ZINC000040417210 174256178 /nfs/dbraw/zinc/25/61/78/174256178.db2.gz AHVCBEFOELKTEM-UHFFFAOYSA-N 0 0 270.763 4.685 10 0 CJAERN CCn1c2cc(Cl)ccc2nc1-c1ccc(C)cc1 ZINC000040417211 174255997 /nfs/dbraw/zinc/25/59/97/174255997.db2.gz BYAFHYXZPVBOAV-UHFFFAOYSA-N 0 0 270.763 4.685 10 0 CJAERN CCn1c2ccc(Cl)cc2nc1-c1ccc(C)cc1 ZINC000040417212 174256140 /nfs/dbraw/zinc/25/61/40/174256140.db2.gz JAZRYCCPCZWLHK-UHFFFAOYSA-N 0 0 270.763 4.685 10 0 CJAERN Cc1cccc(OCc2nc3ccccc3n2C(C)C)c1C ZINC000040417269 174256039 /nfs/dbraw/zinc/25/60/39/174256039.db2.gz KTIKVESDPZSERI-UHFFFAOYSA-N 0 0 294.398 4.813 10 0 CJAERN Cc1ccc(OCc2nc3ccccc3n2C(C)C)c(C)c1 ZINC000040417270 174256056 /nfs/dbraw/zinc/25/60/56/174256056.db2.gz ITMXOTLOVMUGDE-UHFFFAOYSA-N 0 0 294.398 4.813 10 0 CJAERN Cc1ccc(-c2nc3ccccc3n2C(C)C)c(C)c1 ZINC000040417277 174256160 /nfs/dbraw/zinc/25/61/60/174256160.db2.gz UFKNHLZINZUBRJ-UHFFFAOYSA-N 0 0 264.372 4.901 10 0 CJAERN Cc1cccc(-c2nc3ccccc3n2C(C)C)c1 ZINC000040417278 174255902 /nfs/dbraw/zinc/25/59/02/174255902.db2.gz DEOUTLMLENEJFR-UHFFFAOYSA-N 0 0 250.345 4.593 10 0 CJAERN CC(C)c1nc2cc(C(F)(F)F)ccc2n1C(C)C ZINC000040417282 174256204 /nfs/dbraw/zinc/25/62/04/174256204.db2.gz OTEVGFXXWYOGEL-UHFFFAOYSA-N 0 0 270.298 4.759 10 0 CJAERN CCCc1nc2cc(C(F)(F)F)ccc2n1C(C)C ZINC000040417285 174256156 /nfs/dbraw/zinc/25/61/56/174256156.db2.gz CAVRGMZNUZTPDO-UHFFFAOYSA-N 0 0 270.298 4.589 10 0 CJAERN CC(C)n1c2ccc(C(F)(F)F)cc2nc1C(C)(C)C ZINC000040417296 174256169 /nfs/dbraw/zinc/25/61/69/174256169.db2.gz CATAPNMWQPHTQM-UHFFFAOYSA-N 0 0 284.325 4.934 10 0 CJAERN CC(C)n1c2ccc(C(F)(F)F)cc2nc1-c1ccco1 ZINC000040417312 174255865 /nfs/dbraw/zinc/25/58/65/174255865.db2.gz XHJUNYCARMGRJC-UHFFFAOYSA-N 0 0 294.276 4.896 10 0 CJAERN CC(C)n1c2ccc(Cl)cc2nc1C(C)(C)C ZINC000040417357 174256021 /nfs/dbraw/zinc/25/60/21/174256021.db2.gz MHVWJNWEFQKIEA-UHFFFAOYSA-N 0 0 250.773 4.568 10 0 CJAERN CC(C)n1c2cc(Cl)ccc2nc1C(C)(C)C ZINC000040417358 174256012 /nfs/dbraw/zinc/25/60/12/174256012.db2.gz KYWIYPYCBJFMBC-UHFFFAOYSA-N 0 0 250.773 4.568 10 0 CJAERN CC(C)n1c2cc(Cl)ccc2nc1Cc1ccccc1 ZINC000040417359 174255857 /nfs/dbraw/zinc/25/58/57/174255857.db2.gz FYVBXAQUJHQFJJ-UHFFFAOYSA-N 0 0 284.790 4.861 10 0 CJAERN CC(C)n1c2ccc(Cl)cc2nc1Cc1ccccc1 ZINC000040417360 174256194 /nfs/dbraw/zinc/25/61/94/174256194.db2.gz GSJBQLDJIICIGI-UHFFFAOYSA-N 0 0 284.790 4.861 10 0 CJAERN CC(C)n1c2ccc(Cl)cc2nc1-c1ccccc1 ZINC000040417369 174255992 /nfs/dbraw/zinc/25/59/92/174255992.db2.gz JMHUVJJLJASZMN-UHFFFAOYSA-N 0 0 270.763 4.938 10 0 CJAERN CC(C)n1c2cc(Cl)ccc2nc1-c1ccccc1 ZINC000040417370 174256045 /nfs/dbraw/zinc/25/60/45/174256045.db2.gz JREWTNPHRUCNTD-UHFFFAOYSA-N 0 0 270.763 4.938 10 0 CJAERN CC(C)n1c2cc(Cl)ccc2nc1-c1ccco1 ZINC000040417413 174256175 /nfs/dbraw/zinc/25/61/75/174256175.db2.gz VCWCRVUARKPBHF-UHFFFAOYSA-N 0 0 260.724 4.531 10 0 CJAERN CC(C)n1c2ccc(Cl)cc2nc1-c1cccs1 ZINC000040417415 174256145 /nfs/dbraw/zinc/25/61/45/174256145.db2.gz QCOZVFJKCNXXAT-UHFFFAOYSA-N 0 0 276.792 4.999 10 0 CJAERN CCCn1c(COc2cccc(C)c2C)nc2ccccc21 ZINC000040417433 174256001 /nfs/dbraw/zinc/25/60/01/174256001.db2.gz WWVKDJVBNOOKNA-UHFFFAOYSA-N 0 0 294.398 4.642 10 0 CJAERN CCCn1c(COc2ccc(C)cc2C)nc2ccccc21 ZINC000040417434 174256051 /nfs/dbraw/zinc/25/60/51/174256051.db2.gz NDROGXFLWHDWOB-UHFFFAOYSA-N 0 0 294.398 4.642 10 0 CJAERN CCCn1c2ccc(C(F)(F)F)cc2nc1C(C)C ZINC000040417442 174255876 /nfs/dbraw/zinc/25/58/76/174255876.db2.gz CWDFXGYGSBHNQS-UHFFFAOYSA-N 0 0 270.298 4.589 10 0 CJAERN CCCn1c2ccc(C(F)(F)F)cc2nc1C(C)(C)C ZINC000040417456 174256066 /nfs/dbraw/zinc/25/60/66/174256066.db2.gz VTOGZZNJBGDLIQ-UHFFFAOYSA-N 0 0 284.325 4.763 10 0 CJAERN CCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccco1 ZINC000040417472 174255944 /nfs/dbraw/zinc/25/59/44/174255944.db2.gz MHXQPGYITBZEIK-UHFFFAOYSA-N 0 0 294.276 4.725 10 0 CJAERN CCCn1c2cc(Cl)ccc2nc1Cc1ccccc1 ZINC000040417519 174256185 /nfs/dbraw/zinc/25/61/85/174256185.db2.gz AJAQJOPLYPZSHE-UHFFFAOYSA-N 0 0 284.790 4.691 10 0 CJAERN CCCn1c2ccc(Cl)cc2nc1Cc1ccccc1 ZINC000040417520 174256153 /nfs/dbraw/zinc/25/61/53/174256153.db2.gz ZLSBEJXHQFWHRY-UHFFFAOYSA-N 0 0 284.790 4.691 10 0 CJAERN CCCn1c2cc(Cl)ccc2nc1-c1ccccc1 ZINC000040417529 174255896 /nfs/dbraw/zinc/25/58/96/174255896.db2.gz BJPHMMJWPRHAHT-UHFFFAOYSA-N 0 0 270.763 4.767 10 0 CJAERN CCCn1c2ccc(Cl)cc2nc1-c1cccs1 ZINC000040417574 174255958 /nfs/dbraw/zinc/25/59/58/174255958.db2.gz YWEOAJKQGVEEBM-UHFFFAOYSA-N 0 0 276.792 4.828 10 0 CJAERN CC(C)Cn1c2ccc(C(F)(F)F)cc2nc1C(C)C ZINC000040417599 174256049 /nfs/dbraw/zinc/25/60/49/174256049.db2.gz ZFYHTNPKCUWICT-UHFFFAOYSA-N 0 0 284.325 4.835 10 0 CJAERN CCCc1nc2cc(C(F)(F)F)ccc2n1CC(C)C ZINC000040417602 174255929 /nfs/dbraw/zinc/25/59/29/174255929.db2.gz WFXVFJKEUGSZIE-UHFFFAOYSA-N 0 0 284.325 4.664 10 0 CJAERN CC(C)Cn1c2ccc(Cl)cc2nc1C(C)(C)C ZINC000040417674 174255856 /nfs/dbraw/zinc/25/58/56/174255856.db2.gz QKNNFJWPNKYCJF-UHFFFAOYSA-N 0 0 264.800 4.643 10 0 CJAERN CC(C)Cn1c2cc(Cl)ccc2nc1C(C)(C)C ZINC000040417675 174255851 /nfs/dbraw/zinc/25/58/51/174255851.db2.gz IFDMGYPTMWWMFX-UHFFFAOYSA-N 0 0 264.800 4.643 10 0 CJAERN CC(C)Cn1c2cc(Cl)ccc2nc1Cc1ccccc1 ZINC000040417676 174256003 /nfs/dbraw/zinc/25/60/03/174256003.db2.gz ZEHGOFQIMPZICJ-UHFFFAOYSA-N 0 0 298.817 4.937 10 0 CJAERN CC(C)Cn1c2ccc(Cl)cc2nc1Cc1ccccc1 ZINC000040417677 174256132 /nfs/dbraw/zinc/25/61/32/174256132.db2.gz HIYGTIZJRNGTTO-UHFFFAOYSA-N 0 0 298.817 4.937 10 0 CJAERN CC(C)Cn1c2cc(Cl)ccc2nc1-c1ccco1 ZINC000040417730 174256114 /nfs/dbraw/zinc/25/61/14/174256114.db2.gz YJMXOJLBEHURKN-UHFFFAOYSA-N 0 0 274.751 4.606 10 0 CJAERN CC(C)Cn1c2ccc(Cl)cc2nc1-c1ccco1 ZINC000040417731 174256322 /nfs/dbraw/zinc/25/63/22/174256322.db2.gz BRLBTGZGJMNIRH-UHFFFAOYSA-N 0 0 274.751 4.606 10 0 CJAERN Clc1cccc2nc(C3CC3)n(Cc3ccccc3)c21 ZINC000040417815 174256304 /nfs/dbraw/zinc/25/63/04/174256304.db2.gz RJRJKEAXISTQQI-UHFFFAOYSA-N 0 0 282.774 4.615 10 0 CJAERN CC(C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000040417818 174256467 /nfs/dbraw/zinc/25/64/67/174256467.db2.gz SPXSUKNYNAURFR-UHFFFAOYSA-N 0 0 284.790 4.861 10 0 CJAERN CC(C)c1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC000040417819 174256435 /nfs/dbraw/zinc/25/64/35/174256435.db2.gz OWMYXJIKYZYBGE-UHFFFAOYSA-N 0 0 284.790 4.861 10 0 CJAERN Clc1ccc2nc(C3CC3)n(Cc3ccccc3)c2c1 ZINC000040417832 174256463 /nfs/dbraw/zinc/25/64/63/174256463.db2.gz XCBPWJKPGIPYHB-UHFFFAOYSA-N 0 0 282.774 4.615 10 0 CJAERN Clc1ccc2c(c1)nc(C1CC1)n2Cc1ccccc1 ZINC000040417833 174256634 /nfs/dbraw/zinc/25/66/34/174256634.db2.gz REBLCNSRJHOBFS-UHFFFAOYSA-N 0 0 282.774 4.615 10 0 CJAERN O=C(Cc1cccc(-c2ccccc2)c1)Nc1ccccc1 ZINC000040435139 174261276 /nfs/dbraw/zinc/26/12/76/174261276.db2.gz OMAMRZVUWSNOSV-UHFFFAOYSA-N 0 0 287.362 4.535 10 0 CJAERN CCCCC(=O)c1cc2c(c(C(C)(C)C)c1)OCCC2 ZINC000040466532 174275076 /nfs/dbraw/zinc/27/50/76/174275076.db2.gz SOGNUTSWZUFMEI-UHFFFAOYSA-N 0 0 274.404 4.682 10 0 CJAERN Cc1c2ccncc2c(C)c2c1Oc1ccccc1O2 ZINC000040576344 174341886 /nfs/dbraw/zinc/34/18/86/174341886.db2.gz GOLRTZAKBMGUEZ-UHFFFAOYSA-N 0 0 263.296 4.750 10 0 CJAERN Cc1ccc(C(=O)[C@@H](C)Sc2cccc(C)c2)cc1 ZINC000040696631 174378125 /nfs/dbraw/zinc/37/81/25/174378125.db2.gz HTIQSKFOMBHTIC-CQSZACIVSA-N 0 0 270.397 4.667 10 0 CJAERN Cc1ccc(C(=O)[C@H](C)Sc2cccc(C)c2)cc1 ZINC000040696632 174378181 /nfs/dbraw/zinc/37/81/81/174378181.db2.gz HTIQSKFOMBHTIC-AWEZNQCLSA-N 0 0 270.397 4.667 10 0 CJAERN Cc1ccc(-c2cn3cc(Cl)cc(Cl)c3n2)cc1 ZINC000040715115 174382186 /nfs/dbraw/zinc/38/21/86/174382186.db2.gz YIRPQUGDHXJJGP-UHFFFAOYSA-N 0 0 277.154 4.617 10 0 CJAERN CCc1ccc(-c2cn3cc(Cl)cc(Cl)c3n2)cc1 ZINC000040715117 174382242 /nfs/dbraw/zinc/38/22/42/174382242.db2.gz MAXSASYYRPEYOC-UHFFFAOYSA-N 0 0 291.181 4.871 10 0 CJAERN Cc1ccc(-c2cn3cc(Cl)cc(Cl)c3n2)c(C)c1 ZINC000040715121 174382250 /nfs/dbraw/zinc/38/22/50/174382250.db2.gz JYIBGZBYAJAHPL-UHFFFAOYSA-N 0 0 291.181 4.925 10 0 CJAERN Cc1ccc(C)c(-c2cn3cc(Cl)cc(Cl)c3n2)c1 ZINC000040715123 174382428 /nfs/dbraw/zinc/38/24/28/174382428.db2.gz OVDMRRDIUHJMTQ-UHFFFAOYSA-N 0 0 291.181 4.925 10 0 CJAERN Cc1ccc(-c2cn3cc(Cl)cc(Cl)c3n2)cc1C ZINC000040715125 174382308 /nfs/dbraw/zinc/38/23/08/174382308.db2.gz DHUSZYGNKSYASO-UHFFFAOYSA-N 0 0 291.181 4.925 10 0 CJAERN Clc1ccc(-c2cn3cc(Cl)cc(Cl)c3n2)cc1 ZINC000040715127 174382356 /nfs/dbraw/zinc/38/23/56/174382356.db2.gz DXUKEHOVYCBRNY-UHFFFAOYSA-N 0 0 297.572 4.962 10 0 CJAERN Cc1ccc(Nc2nccc(-c3ccc(C)cc3)n2)cc1 ZINC000040856850 174423741 /nfs/dbraw/zinc/42/37/41/174423741.db2.gz CBKWWGDVCMRNRC-UHFFFAOYSA-N 0 0 275.355 4.504 10 0 CJAERN Cc1ccc(-c2ccnc(Nc3ccc(Cl)cc3)n2)cc1 ZINC000040856976 174424181 /nfs/dbraw/zinc/42/41/81/174424181.db2.gz SQNAXFSJZURNFN-UHFFFAOYSA-N 0 0 295.773 4.849 10 0 CJAERN O=C(CCCCCc1ccccc1)C(F)(F)C(F)(F)F ZINC000040873930 174426683 /nfs/dbraw/zinc/42/66/83/174426683.db2.gz SZHLULFEEMJIQU-UHFFFAOYSA-N 0 0 294.263 4.556 10 0 in-vivo CJAERN Nc1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1 ZINC000040887222 174428215 /nfs/dbraw/zinc/42/82/15/174428215.db2.gz XHMAFMIRZDWGDT-UHFFFAOYSA-N 0 0 286.787 4.713 10 0 CJAERN COc1cccc(C(=O)Oc2ccc(C)cc2C(C)(C)C)c1 ZINC000040890226 174428923 /nfs/dbraw/zinc/42/89/23/174428923.db2.gz LBTURORXHQPJBF-UHFFFAOYSA-N 0 0 298.382 4.520 10 0 CJAERN CC(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1 ZINC000040892869 174428956 /nfs/dbraw/zinc/42/89/56/174428956.db2.gz ZJXJEZKPAWHQKX-UHFFFAOYSA-N 0 0 282.236 4.714 10 0 CJAERN Cc1c(-c2ccc(Cl)cc2)nc2sc(C(C)C)nn12 ZINC000040963579 174440411 /nfs/dbraw/zinc/44/04/11/174440411.db2.gz DTCJINXOHDEOAY-UHFFFAOYSA-N 0 0 291.807 4.543 10 0 CJAERN CCC(CC)c1nn2c(C)c(-c3ccccc3)nc2s1 ZINC000040963805 174440526 /nfs/dbraw/zinc/44/05/26/174440526.db2.gz DXHSLHRLWBOOSE-UHFFFAOYSA-N 0 0 285.416 4.670 10 0 CJAERN CCC(CC)c1nn2c(C)c(-c3ccc(C)cc3)nc2s1 ZINC000040963819 174440335 /nfs/dbraw/zinc/44/03/35/174440335.db2.gz IOEFLDRHFHOLKH-UHFFFAOYSA-N 0 0 299.443 4.978 10 0 CJAERN CCC(CC)c1nn2cc(-c3ccc(C)cc3)nc2s1 ZINC000040963822 174440370 /nfs/dbraw/zinc/44/03/70/174440370.db2.gz FEVXGEZTSMRKDB-UHFFFAOYSA-N 0 0 285.416 4.670 10 0 CJAERN Cc1c(-c2ccc(C)cc2)nc2sc3ccccc3n12 ZINC000040964181 174440785 /nfs/dbraw/zinc/44/07/85/174440785.db2.gz BOGRSILCNJOHNT-UHFFFAOYSA-N 0 0 278.380 4.833 10 0 CJAERN COc1ccccc1-c1cn2c3ccc(C)cc3sc2n1 ZINC000040964227 174440789 /nfs/dbraw/zinc/44/07/89/174440789.db2.gz KRFHYXWAPKEOQD-UHFFFAOYSA-N 0 0 294.379 4.533 10 0 CJAERN Cc1cccc2sc3nc(-c4ccccc4)cn3c21 ZINC000040964450 174440935 /nfs/dbraw/zinc/44/09/35/174440935.db2.gz QKBLTNXDTFURJL-UHFFFAOYSA-N 0 0 264.353 4.524 10 0 CJAERN Cc1cccc2sc3nc(-c4ccc(F)cc4)cn3c21 ZINC000040964459 174440791 /nfs/dbraw/zinc/44/07/91/174440791.db2.gz TZIKBRJMUZCDLR-UHFFFAOYSA-N 0 0 282.343 4.664 10 0 CJAERN COc1cccc(-c2cn3c(n2)sc2cccc(C)c23)c1 ZINC000040964506 174440718 /nfs/dbraw/zinc/44/07/18/174440718.db2.gz RRDOPCIGPDSRKL-UHFFFAOYSA-N 0 0 294.379 4.533 10 0 CJAERN CCc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1 ZINC000041005640 174448079 /nfs/dbraw/zinc/44/80/79/174448079.db2.gz DCITXLLTJFYXAM-UHFFFAOYSA-N 0 0 282.412 4.504 10 0 CJAERN Cc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1C ZINC000041005643 174448273 /nfs/dbraw/zinc/44/82/73/174448273.db2.gz SUPXRNALNALHLP-UHFFFAOYSA-N 0 0 282.412 4.558 10 0 CJAERN Cc1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000041005879 567216485 /nfs/dbraw/zinc/21/64/85/567216485.db2.gz OTJBUCOPHSUHNV-UHFFFAOYSA-N 0 0 277.154 4.845 10 0 CJAERN Cc1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c1 ZINC000041005881 567216537 /nfs/dbraw/zinc/21/65/37/567216537.db2.gz IDQWJQCGHIHJSL-UHFFFAOYSA-N 0 0 264.372 4.836 10 0 CJAERN Cc1cc2sc(=NC(=O)Oc3ccccc3)[nH]c2c(C)c1 ZINC000041012981 174449920 /nfs/dbraw/zinc/44/99/20/174449920.db2.gz VLAVSAKYZUSUOX-UHFFFAOYSA-N 0 0 298.367 4.524 10 0 CJAERN Cc1cc(C)cc(Nc2ccnc3c(C)cccc23)c1 ZINC000041055151 174464971 /nfs/dbraw/zinc/46/49/71/174464971.db2.gz TUOZQILWMOZKTC-UHFFFAOYSA-N 0 0 262.356 4.904 10 0 CJAERN Cc1cccc(Nc2ccnc3c(C)cccc23)c1C ZINC000041055171 174464631 /nfs/dbraw/zinc/46/46/31/174464631.db2.gz INMSTJOQOSKDEP-UHFFFAOYSA-N 0 0 262.356 4.904 10 0 CJAERN CCc1ccccc1Nc1ccnc2ccc(OC)cc21 ZINC000041055455 174464646 /nfs/dbraw/zinc/46/46/46/174464646.db2.gz UFFMWMDCAASOSO-UHFFFAOYSA-N 0 0 278.355 4.549 10 0 CJAERN COc1ccc2nccc(Nc3ccc(C)cc3C)c2c1 ZINC000041055465 174464743 /nfs/dbraw/zinc/46/47/43/174464743.db2.gz AHYNIPLRSBEOCZ-UHFFFAOYSA-N 0 0 278.355 4.604 10 0 CJAERN Cc1c(Cl)cccc1Nc1ccnc2ccccc21 ZINC000041055563 174465316 /nfs/dbraw/zinc/46/53/16/174465316.db2.gz OJQDKQIAYCEDOJ-UHFFFAOYSA-N 0 0 268.747 4.940 10 0 CJAERN FC(F)Sc1ccc(N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000041092379 174477482 /nfs/dbraw/zinc/47/74/82/174477482.db2.gz MYNKWTPUIKPNBQ-OPQQBVKSSA-N 0 0 269.360 4.602 10 0 CJAERN Clc1ccc(-c2cn3cc(Cl)ccc3n2)c(Cl)c1 ZINC000041107447 174481557 /nfs/dbraw/zinc/48/15/57/174481557.db2.gz JXUWUOIQTVNXPV-UHFFFAOYSA-N 0 0 297.572 4.962 10 0 CJAERN Cc1cc(C)c2nc(NCc3ccccc3)cc(C)c2c1 ZINC000041127839 174490282 /nfs/dbraw/zinc/49/02/82/174490282.db2.gz RLZYWYINXFJQGO-UHFFFAOYSA-N 0 0 276.383 4.772 10 0 CJAERN Cc1cc(C)c2nc(NCCc3ccccc3)cc(C)c2c1 ZINC000041127842 174490008 /nfs/dbraw/zinc/49/00/08/174490008.db2.gz WDCVOASKRZJCBM-UHFFFAOYSA-N 0 0 290.410 4.815 10 0 CJAERN O=C(CCCc1cccc(Cl)c1)c1ccccc1 ZINC000041343450 174526875 /nfs/dbraw/zinc/52/68/75/174526875.db2.gz PGWSWNCBYREWAG-UHFFFAOYSA-N 0 0 258.748 4.546 10 0 CJAERN CC(C)(C)CNc1cc(C(F)(F)F)ccc1Cl ZINC000041382515 174539979 /nfs/dbraw/zinc/53/99/79/174539979.db2.gz ZGCQRBHNFHZZSM-UHFFFAOYSA-N 0 0 265.706 4.817 10 0 CJAERN CC(C)(C)CNc1ccc(Cl)cc1C(F)(F)F ZINC000041382521 174539762 /nfs/dbraw/zinc/53/97/62/174539762.db2.gz UNIKIPHZSBFTKD-UHFFFAOYSA-N 0 0 265.706 4.817 10 0 CJAERN Cc1ccccc1C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000041388212 174543234 /nfs/dbraw/zinc/54/32/34/174543234.db2.gz VVEDJOWXJPTLGF-GOSISDBHSA-N 0 0 268.400 4.569 10 0 CJAERN Nc1ccccc1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000041434839 174552331 /nfs/dbraw/zinc/55/23/31/174552331.db2.gz OHEKJJIIVOPABL-UHFFFAOYSA-N 0 0 279.383 4.548 10 0 CJAERN CCCCc1noc(N)c1-c1ccc(Cl)c(Cl)c1 ZINC000041460327 174555123 /nfs/dbraw/zinc/55/51/23/174555123.db2.gz GMUXVMGDHJEVDI-UHFFFAOYSA-N 0 0 285.174 4.573 10 0 CJAERN CC[C@@H](C)c1ccc(C(=O)c2ccc(Cl)c(N)c2)cc1 ZINC000041464246 174556513 /nfs/dbraw/zinc/55/65/13/174556513.db2.gz UZXWHBLOCUMQHH-LLVKDONJSA-N 0 0 287.790 4.667 10 0 CJAERN S=c1[nH]c2ccccc2n1CCc1ccc(Cl)cc1 ZINC000041465241 174556733 /nfs/dbraw/zinc/55/67/33/174556733.db2.gz UHVWPKDHDGYIGB-UHFFFAOYSA-N 0 0 288.803 4.595 10 0 CJAERN CC(C)(C)c1ccc([C@H](O)Cc2ccccc2Cl)cc1 ZINC000041465243 174556595 /nfs/dbraw/zinc/55/65/95/174556595.db2.gz CYDDCQBTVYVVJU-QGZVFWFLSA-N 0 0 288.818 4.914 10 0 CJAERN CC(C)(C)c1ccc([C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000041465246 174556687 /nfs/dbraw/zinc/55/66/87/174556687.db2.gz KJIZJSNRDMFCNO-KRWDZBQOSA-N 0 0 288.818 4.914 10 0 CJAERN CC(C)(C)c1ccc([C@H](O)Cc2ccc(Cl)cc2)cc1 ZINC000041465247 174556970 /nfs/dbraw/zinc/55/69/70/174556970.db2.gz ONWZICHCXNJQRK-QGZVFWFLSA-N 0 0 288.818 4.914 10 0 CJAERN CC(C)(C)c1ccc([C@@H](O)Cc2ccc(Cl)cc2)cc1 ZINC000041465248 174556798 /nfs/dbraw/zinc/55/67/98/174556798.db2.gz ONWZICHCXNJQRK-KRWDZBQOSA-N 0 0 288.818 4.914 10 0 CJAERN Cc1cc(C)cc(OCCNc2cccc(Cl)c2C)c1 ZINC000041466745 174557235 /nfs/dbraw/zinc/55/72/35/174557235.db2.gz CBHPAHDJJURMFH-UHFFFAOYSA-N 0 0 289.806 4.756 10 0 CJAERN CCc1ccc(COc2ccc(Cl)cc2[C@@H](C)O)cc1 ZINC000041477880 174559268 /nfs/dbraw/zinc/55/92/68/174559268.db2.gz PUCYNYPVVOVLBD-GFCCVEGCSA-N 0 0 290.790 4.535 10 0 CJAERN Cc1ccc(C)c(COc2ccc(Cl)cc2[C@H](C)O)c1 ZINC000041477967 174559157 /nfs/dbraw/zinc/55/91/57/174559157.db2.gz LRYRJTQCVFJWTF-ZDUSSCGKSA-N 0 0 290.790 4.589 10 0 CJAERN CCc1ccc(COc2ccc(Br)cc2)cc1 ZINC000041478491 174559415 /nfs/dbraw/zinc/55/94/15/174559415.db2.gz QOGIQTMOKJDXOU-UHFFFAOYSA-N 0 0 291.188 4.591 10 0 CJAERN Cc1ccc(C)c(COc2cccc(Br)c2)c1 ZINC000041478497 174559182 /nfs/dbraw/zinc/55/91/82/174559182.db2.gz ZVKOAMDEUJGLLL-UHFFFAOYSA-N 0 0 291.188 4.645 10 0 CJAERN Cc1ccc(OCCNc2ccc(F)c(Cl)c2)cc1C ZINC000041483759 174560787 /nfs/dbraw/zinc/56/07/87/174560787.db2.gz LDQSDQIZOSONIO-UHFFFAOYSA-N 0 0 293.769 4.587 10 0 CJAERN Cc1ccccc1OCCNc1cccc(Cl)c1Cl ZINC000041485881 174560995 /nfs/dbraw/zinc/56/09/95/174560995.db2.gz LRIBXPCRDLSIAR-UHFFFAOYSA-N 0 0 296.197 4.793 10 0 CJAERN Cc1cccc(OCCNc2cc(Cl)cc(Cl)c2)c1 ZINC000041485887 174561134 /nfs/dbraw/zinc/56/11/34/174561134.db2.gz VZOXRESKXGHMLM-UHFFFAOYSA-N 0 0 296.197 4.793 10 0 CJAERN Cc1ccc(OCCNc2cc(Cl)cc(Cl)c2)cc1 ZINC000041485896 174561021 /nfs/dbraw/zinc/56/10/21/174561021.db2.gz RKVPKKUFKQBKFR-UHFFFAOYSA-N 0 0 296.197 4.793 10 0 CJAERN C[C@@H](O)c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000041487274 174561612 /nfs/dbraw/zinc/56/16/12/174561612.db2.gz CPBKBZDKCCXQEA-SNVBAGLBSA-N 0 0 297.181 4.626 10 0 CJAERN C[C@@H](O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000041487296 174561435 /nfs/dbraw/zinc/56/14/35/174561435.db2.gz YNUJFCYCXFILFT-SNVBAGLBSA-N 0 0 297.181 4.626 10 0 CJAERN Clc1ccc(NCCCOc2ccccc2)cc1Cl ZINC000041570900 174569039 /nfs/dbraw/zinc/56/90/39/174569039.db2.gz ZQWNCHRMMCLUMV-UHFFFAOYSA-N 0 0 296.197 4.874 10 0 CJAERN Cc1c(Cl)cccc1NCCCOc1ccccc1 ZINC000041571175 174569337 /nfs/dbraw/zinc/56/93/37/174569337.db2.gz ORZJJQLCWYZUHN-UHFFFAOYSA-N 0 0 275.779 4.529 10 0 CJAERN Fc1ccccc1CNc1c(Cl)cccc1Cl ZINC000041571450 174569700 /nfs/dbraw/zinc/56/97/00/174569700.db2.gz QJWJAFTZMPFTRK-UHFFFAOYSA-N 0 0 270.134 4.745 10 0 CJAERN Cc1ccccc1CNc1c(Cl)cccc1Cl ZINC000041571452 174569541 /nfs/dbraw/zinc/56/95/41/174569541.db2.gz IGWMDEXFVMPLGC-UHFFFAOYSA-N 0 0 266.171 4.914 10 0 CJAERN Cc1ccccc1NCCOc1cccc2ccccc21 ZINC000041572016 174569571 /nfs/dbraw/zinc/56/95/71/174569571.db2.gz PCEBIOKRKGJMQI-UHFFFAOYSA-N 0 0 277.367 4.639 10 0 CJAERN CCc1cccc(C)c1NCc1ccccc1Cl ZINC000041578640 174570145 /nfs/dbraw/zinc/57/01/45/174570145.db2.gz VKVZJCWTNBFWNZ-UHFFFAOYSA-N 0 0 259.780 4.823 10 0 CJAERN CCc1cccc(C)c1NCc1c(F)cccc1Cl ZINC000041578650 174570041 /nfs/dbraw/zinc/57/00/41/174570041.db2.gz BPSOCWLWKLVOCK-UHFFFAOYSA-N 0 0 277.770 4.962 10 0 CJAERN Clc1ccc(NCCCOc2ccccc2)c(Cl)c1 ZINC000041578800 174570177 /nfs/dbraw/zinc/57/01/77/174570177.db2.gz UYBYBIZCRCDLFS-UHFFFAOYSA-N 0 0 296.197 4.874 10 0 CJAERN Cc1ccc(NCCOc2cccc3ccccc32)cc1 ZINC000041578942 174570079 /nfs/dbraw/zinc/57/00/79/174570079.db2.gz DEHSFPZXYORMEP-UHFFFAOYSA-N 0 0 277.367 4.639 10 0 CJAERN Cc1cccc(OCCNc2cccc3ccccc32)c1 ZINC000041579111 174570439 /nfs/dbraw/zinc/57/04/39/174570439.db2.gz JZUOKCSTNIQXNG-UHFFFAOYSA-N 0 0 277.367 4.639 10 0 CJAERN c1ccc(OCCCNc2cccc3ccccc32)cc1 ZINC000041579119 174570669 /nfs/dbraw/zinc/57/06/69/174570669.db2.gz XRYQTQHVOSGAPU-UHFFFAOYSA-N 0 0 277.367 4.721 10 0 CJAERN Cc1ccc(Cl)c2c(Br)c(Cl)cnc12 ZINC000041702086 174608101 /nfs/dbraw/zinc/60/81/01/174608101.db2.gz JEGAAPZCPRQTFH-UHFFFAOYSA-N 0 0 290.975 4.613 10 0 CJAERN Cc1cc(Cl)cc2c(Br)c(Cl)cnc12 ZINC000041702094 174607828 /nfs/dbraw/zinc/60/78/28/174607828.db2.gz WOBRGRABGHQXIK-UHFFFAOYSA-N 0 0 290.975 4.613 10 0 CJAERN Clc1cnc2cc(Cl)c(Cl)cc2c1Cl ZINC000041702477 174608554 /nfs/dbraw/zinc/60/85/54/174608554.db2.gz LNTZALWBYSZVGS-UHFFFAOYSA-N 0 0 266.942 4.848 10 0 CJAERN Cc1ccc(Cl)c2c(Cl)c(Br)cnc12 ZINC000041702496 174608795 /nfs/dbraw/zinc/60/87/95/174608795.db2.gz DOPOALKLSGUXCW-UHFFFAOYSA-N 0 0 290.975 4.613 10 0 CJAERN C[C@H](Nc1ncccc1Cl)c1ccc(Cl)cc1 ZINC000042227447 525683058 /nfs/dbraw/zinc/68/30/58/525683058.db2.gz JRIQBAKJMPGBMZ-VIFPVBQESA-N 0 0 267.159 4.562 10 0 CJAERN C[C@@H](Nc1ncccc1Cl)c1ccc(Cl)cc1 ZINC000042227451 525729753 /nfs/dbraw/zinc/72/97/53/525729753.db2.gz JRIQBAKJMPGBMZ-SECBINFHSA-N 0 0 267.159 4.562 10 0 CJAERN C[C@H](Nc1ncnc2sccc21)c1ccc(Cl)s1 ZINC000042240382 525687551 /nfs/dbraw/zinc/68/75/51/525687551.db2.gz RQCRURHDJPCLEG-ZETCQYMHSA-N 0 0 295.820 4.579 10 0 CJAERN C[C@@H](Nc1ncnc2sccc21)c1ccc(Cl)s1 ZINC000042240383 525733665 /nfs/dbraw/zinc/73/36/65/525733665.db2.gz RQCRURHDJPCLEG-SSDOTTSWSA-N 0 0 295.820 4.579 10 0 CJAERN Cc1ccccc1[C@@H](C)Nc1ccc(C(F)(F)F)cn1 ZINC000042316256 525361817 /nfs/dbraw/zinc/36/18/17/525361817.db2.gz PURWYNQHCWNAPP-LLVKDONJSA-N 0 0 280.293 4.582 10 0 CJAERN Cc1ccccc1[C@H](C)Nc1ccc(C(F)(F)F)cn1 ZINC000042316259 525420011 /nfs/dbraw/zinc/42/00/11/525420011.db2.gz PURWYNQHCWNAPP-NSHDSACASA-N 0 0 280.293 4.582 10 0 CJAERN Cc1ccccc1[C@@H](C)Nc1nc2ccccc2s1 ZINC000042316322 328765235 /nfs/dbraw/zinc/76/52/35/328765235.db2.gz DFJZUCOOVNWYCY-GFCCVEGCSA-N 0 0 268.385 4.778 10 0 CJAERN CCCCC[C@H](C)Nc1ccc(C(F)(F)F)cc1N ZINC000042319919 174684143 /nfs/dbraw/zinc/68/41/43/174684143.db2.gz RWCDNEGQJITZNV-JTQLQIEISA-N 0 0 274.330 4.668 10 0 CJAERN COc1ccc(N[C@H](c2cccs2)C2CC2)cc1Cl ZINC000042328206 174686713 /nfs/dbraw/zinc/68/67/13/174686713.db2.gz BKUVJNNORKSSKV-HNNXBMFYSA-N 0 0 293.819 4.973 10 0 CJAERN Fc1ccc(F)c(N[C@H](c2cccs2)C2CC2)c1 ZINC000042328306 174686634 /nfs/dbraw/zinc/68/66/34/174686634.db2.gz QGAJIMWXTUBJPR-AWEZNQCLSA-N 0 0 265.328 4.590 10 0 CJAERN c1csc([C@H](Nc2ccc3c(c2)CCC3)C2CC2)c1 ZINC000042328382 174686512 /nfs/dbraw/zinc/68/65/12/174686512.db2.gz KYJGDIHCFBDXJF-QGZVFWFLSA-N 0 0 269.413 4.800 10 0 CJAERN COc1ccc(Cl)cc1N[C@@H](c1cccs1)C1CC1 ZINC000042328388 174686672 /nfs/dbraw/zinc/68/66/72/174686672.db2.gz CMBZEIBSGVAWLA-OAHLLOKOSA-N 0 0 293.819 4.973 10 0 CJAERN COc1ccc(Cl)cc1N[C@H](c1cccs1)C1CC1 ZINC000042328391 174686511 /nfs/dbraw/zinc/68/65/11/174686511.db2.gz CMBZEIBSGVAWLA-HNNXBMFYSA-N 0 0 293.819 4.973 10 0 CJAERN Fc1ccc(N[C@@H](c2cccs2)C2CC2)cc1F ZINC000042328452 174686545 /nfs/dbraw/zinc/68/65/45/174686545.db2.gz NGMNAQSFJNSNEO-CQSZACIVSA-N 0 0 265.328 4.590 10 0 CJAERN Clc1cccc(N[C@@H](c2cccs2)C2CC2)c1 ZINC000042328475 174686401 /nfs/dbraw/zinc/68/64/01/174686401.db2.gz NQJSAXQOOCDUHD-CQSZACIVSA-N 0 0 263.793 4.965 10 0 CJAERN Clc1ccccc1N[C@H](c1cccs1)C1CC1 ZINC000042328529 174686596 /nfs/dbraw/zinc/68/65/96/174686596.db2.gz XYYHZRGHZJHJTE-AWEZNQCLSA-N 0 0 263.793 4.965 10 0 CJAERN Cc1ccc(F)cc1N[C@@H](c1cccs1)C1CC1 ZINC000042328567 174686666 /nfs/dbraw/zinc/68/66/66/174686666.db2.gz ZRNABSLBYIFYFY-OAHLLOKOSA-N 0 0 261.365 4.759 10 0 CJAERN Cc1ccc(N[C@H](c2cccs2)C2CC2)cc1F ZINC000042328588 174686660 /nfs/dbraw/zinc/68/66/60/174686660.db2.gz KAYLFLSAPCWECD-HNNXBMFYSA-N 0 0 261.365 4.759 10 0 CJAERN Fc1cc(F)cc(N[C@@H](c2cccs2)C2CC2)c1 ZINC000042328614 174686582 /nfs/dbraw/zinc/68/65/82/174686582.db2.gz UJKGETPONYFWFE-CQSZACIVSA-N 0 0 265.328 4.590 10 0 CJAERN Fc1cc(F)cc(N[C@H](c2cccs2)C2CC2)c1 ZINC000042328617 174686429 /nfs/dbraw/zinc/68/64/29/174686429.db2.gz UJKGETPONYFWFE-AWEZNQCLSA-N 0 0 265.328 4.590 10 0 CJAERN Cc1cccc(N[C@H](c2cccs2)C2CC2)c1C ZINC000042328654 174686645 /nfs/dbraw/zinc/68/66/45/174686645.db2.gz OULXNGPXJHAPFF-INIZCTEOSA-N 0 0 257.402 4.928 10 0 CJAERN Cc1ccc(N[C@H](c2cccs2)C2CC2)c(F)c1 ZINC000042329317 174686946 /nfs/dbraw/zinc/68/69/46/174686946.db2.gz TUQXLSWYQGTHNJ-HNNXBMFYSA-N 0 0 261.365 4.759 10 0 CJAERN Cc1ccc(F)c(N[C@H](c2cccs2)C2CC2)c1 ZINC000042329331 174686950 /nfs/dbraw/zinc/68/69/50/174686950.db2.gz XBSRDVYKJJQTTR-HNNXBMFYSA-N 0 0 261.365 4.759 10 0 CJAERN Cc1ccc(N[C@@H](c2cccs2)C2CC2)c(C)c1O ZINC000042330947 174686831 /nfs/dbraw/zinc/68/68/31/174686831.db2.gz CRVRBFHLWQHYSU-OAHLLOKOSA-N 0 0 273.401 4.634 10 0 CJAERN COc1ccc(N[C@@H](c2cccs2)C2CC2)cc1C ZINC000042331742 174687551 /nfs/dbraw/zinc/68/75/51/174687551.db2.gz XDDHKQWEYCFLAX-MRXNPFEDSA-N 0 0 273.401 4.628 10 0 CJAERN Cc1ccc(C)c([C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000042352129 174692684 /nfs/dbraw/zinc/69/26/84/174692684.db2.gz AJHBXCQQYJHJEQ-HNNXBMFYSA-N 0 0 281.182 4.692 10 0 CJAERN C[C@H](Nc1ncnc2ccccc21)c1ccc(Cl)s1 ZINC000042373111 525685671 /nfs/dbraw/zinc/68/56/71/525685671.db2.gz IYXAPENAAJTJKV-VIFPVBQESA-N 0 0 289.791 4.518 10 0 CJAERN C[C@@H](Nc1ncnc2ccccc21)c1ccc(Cl)s1 ZINC000042373112 525734805 /nfs/dbraw/zinc/73/48/05/525734805.db2.gz IYXAPENAAJTJKV-SECBINFHSA-N 0 0 289.791 4.518 10 0 CJAERN Cc1ccccc1[C@@H](C)Nc1ncccc1C(F)(F)F ZINC000042374350 525364128 /nfs/dbraw/zinc/36/41/28/525364128.db2.gz UYDLMUKUKHHLAM-LLVKDONJSA-N 0 0 280.293 4.582 10 0 CJAERN Cc1ccccc1[C@H](C)Nc1ncccc1C(F)(F)F ZINC000042374351 525419456 /nfs/dbraw/zinc/41/94/56/525419456.db2.gz UYDLMUKUKHHLAM-NSHDSACASA-N 0 0 280.293 4.582 10 0 CJAERN O=C(c1ccc(-c2ccc(Cl)c(F)c2)s1)C1CC1 ZINC000042581691 174805318 /nfs/dbraw/zinc/80/53/18/174805318.db2.gz MDVWEDFXAJIVBJ-UHFFFAOYSA-N 0 0 280.751 4.800 10 0 CJAERN C[C@H](Nc1c(N)cccc1Cl)c1ccc(Cl)s1 ZINC000042586626 174809135 /nfs/dbraw/zinc/80/91/35/174809135.db2.gz AYJYFLOUVCPYPT-ZETCQYMHSA-N 0 0 287.215 4.810 10 0 CJAERN CC(C)CCC[C@@H](C)Nc1ccc(Cl)cc1N ZINC000042587429 174809634 /nfs/dbraw/zinc/80/96/34/174809634.db2.gz BVCIAXLKDUOKKI-LLVKDONJSA-N 0 0 254.805 4.549 10 0 CJAERN CC(C)CCC[C@H](C)Nc1ccc(Cl)cc1N ZINC000042587432 174809506 /nfs/dbraw/zinc/80/95/06/174809506.db2.gz BVCIAXLKDUOKKI-NSHDSACASA-N 0 0 254.805 4.549 10 0 CJAERN C[C@H](Nc1ccc(Cl)cn1)c1ccc(Cl)s1 ZINC000042590664 525652555 /nfs/dbraw/zinc/65/25/55/525652555.db2.gz JYVOMQJIZSGXDI-ZETCQYMHSA-N 0 0 273.188 4.623 10 0 CJAERN C[C@@H](Nc1ccc(Cl)cn1)c1ccc(Cl)s1 ZINC000042590667 525704802 /nfs/dbraw/zinc/70/48/02/525704802.db2.gz JYVOMQJIZSGXDI-SSDOTTSWSA-N 0 0 273.188 4.623 10 0 CJAERN C[C@H](Nc1ncccc1Cl)c1ccc(Cl)s1 ZINC000042590676 525682733 /nfs/dbraw/zinc/68/27/33/525682733.db2.gz BZZGVBMYUPQWEC-ZETCQYMHSA-N 0 0 273.188 4.623 10 0 CJAERN C[C@@H](Nc1ncccc1Cl)c1ccc(Cl)s1 ZINC000042590678 525730290 /nfs/dbraw/zinc/73/02/90/525730290.db2.gz BZZGVBMYUPQWEC-SSDOTTSWSA-N 0 0 273.188 4.623 10 0 CJAERN CCc1ccc([C@H](O)c2csc3ccccc32)s1 ZINC000042892219 174902701 /nfs/dbraw/zinc/90/27/01/174902701.db2.gz CCJXMKSLHWWMTD-OAHLLOKOSA-N 0 0 274.410 4.607 10 0 CJAERN CC/C(=C\c1cc(-c2cccs2)cs1)[N+](=O)[O-] ZINC000042906251 174907825 /nfs/dbraw/zinc/90/78/25/174907825.db2.gz SEGAZKMYXZHXQS-JXMROGBWSA-N 0 0 265.359 4.504 10 0 CJAERN CSc1ccccc1NCc1cccc(C)c1C ZINC000043304947 175003329 /nfs/dbraw/zinc/00/33/29/175003329.db2.gz JBAJEGMPCONAPL-UHFFFAOYSA-N 0 0 257.402 4.637 10 0 CJAERN Cc1ccc(NCc2ccc(Cl)c(F)c2)cc1F ZINC000043388367 175033323 /nfs/dbraw/zinc/03/33/23/175033323.db2.gz ZSEGPHBQFAWNRL-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN CCc1ccccc1NCc1ccc(Cl)c(F)c1 ZINC000043388368 175033041 /nfs/dbraw/zinc/03/30/41/175033041.db2.gz CVFISKNXSZGLFQ-UHFFFAOYSA-N 0 0 263.743 4.654 10 0 CJAERN Cc1cc(F)ccc1NCc1ccc(Cl)c(F)c1 ZINC000043388376 175033212 /nfs/dbraw/zinc/03/32/12/175033212.db2.gz QTJGJQIWYICURQ-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1ccc(C)c(NCc2ccc(Cl)c(F)c2)c1 ZINC000043388394 175033132 /nfs/dbraw/zinc/03/31/32/175033132.db2.gz ZARSOABCOOLTJZ-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1ccc(NCc2ccc(Cl)c(F)c2)c(F)c1 ZINC000043388649 175032975 /nfs/dbraw/zinc/03/29/75/175032975.db2.gz SLMVSWZVAYMKLB-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1ccc(F)c(NCc2ccc(Cl)c(F)c2)c1 ZINC000043388653 175033327 /nfs/dbraw/zinc/03/33/27/175033327.db2.gz KWKHTLDAMJAWCO-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN CC(C)(C)CC(C)(C)Nc1ccc(N)cc1Cl ZINC000043430342 175042485 /nfs/dbraw/zinc/04/24/85/175042485.db2.gz XRAZNERKRIVAGY-UHFFFAOYSA-N 0 0 254.805 4.549 10 0 CJAERN Nc1ccccc1-c1ccc(SC(F)(F)F)cc1 ZINC000043463405 175052198 /nfs/dbraw/zinc/05/21/98/175052198.db2.gz KTOZVUPQSZNPFB-UHFFFAOYSA-N 0 0 269.291 4.548 10 0 CJAERN Nc1ccc(-c2ccc(C(F)(F)C(F)(F)F)cc2)cc1 ZINC000043463406 175051888 /nfs/dbraw/zinc/05/18/88/175051888.db2.gz DVZUZXYPKZKFJH-UHFFFAOYSA-N 0 0 287.231 4.590 10 0 CJAERN Nc1ccccc1-c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000043463408 175052104 /nfs/dbraw/zinc/05/21/04/175052104.db2.gz OKAPNNPTTMEZJW-UHFFFAOYSA-N 0 0 287.231 4.590 10 0 CJAERN Nc1ccccc1Oc1ccc(SC(F)(F)F)cc1 ZINC000043463415 175051967 /nfs/dbraw/zinc/05/19/67/175051967.db2.gz ANNFPZRCMWYVPR-UHFFFAOYSA-N 0 0 285.290 4.673 10 0 CJAERN FC(F)(F)c1onc2c1CCC/C2=C\c1ccccc1 ZINC000043463775 175052534 /nfs/dbraw/zinc/05/25/34/175052534.db2.gz XOIDKJCPROVEIN-PKNBQFBNSA-N 0 0 279.261 4.570 10 0 CJAERN COc1ccc2c(c1)oc(C(F)(F)C(F)F)cc2=S ZINC000043464898 175052379 /nfs/dbraw/zinc/05/23/79/175052379.db2.gz PDXCWXNABCKODG-UHFFFAOYSA-N 0 0 292.253 4.528 10 0 CJAERN Oc1ccc(CNc2cccc3ccccc32)cc1Cl ZINC000043476660 175054493 /nfs/dbraw/zinc/05/44/93/175054493.db2.gz ZREQTBKIKBXYKU-UHFFFAOYSA-N 0 0 283.758 4.811 10 0 CJAERN CC(C)(C)c1ccc(NCc2ccc(O)c(Cl)c2)cc1 ZINC000043476695 175055034 /nfs/dbraw/zinc/05/50/34/175055034.db2.gz JNPAYLDUPOXITF-UHFFFAOYSA-N 0 0 289.806 4.955 10 0 CJAERN CC(C)c1ccc(NCc2ccc(O)c(Cl)c2)cc1 ZINC000043476751 175054632 /nfs/dbraw/zinc/05/46/32/175054632.db2.gz QTJBLKUDRCWUGY-UHFFFAOYSA-N 0 0 275.779 4.781 10 0 CJAERN Cc1cc(Cl)ccc1NCc1ccc(O)c(Cl)c1 ZINC000043477010 175054529 /nfs/dbraw/zinc/05/45/29/175054529.db2.gz LGRNWILCXREHPE-UHFFFAOYSA-N 0 0 282.170 4.620 10 0 CJAERN Oc1ccc(CNc2ccc3ccccc3c2)cc1Cl ZINC000043477891 175055374 /nfs/dbraw/zinc/05/53/74/175055374.db2.gz YWMUYAHMKGHLBA-UHFFFAOYSA-N 0 0 283.758 4.811 10 0 CJAERN CCc1ccc(C(=O)c2cc(Cl)sc2Cl)s1 ZINC000043639716 175084188 /nfs/dbraw/zinc/08/41/88/175084188.db2.gz JVKSGDVIDMKDFR-UHFFFAOYSA-N 0 0 291.224 4.910 10 0 CJAERN CCc1ccc([C@H](O)c2cc(Cl)sc2Cl)s1 ZINC000043640420 175084513 /nfs/dbraw/zinc/08/45/13/175084513.db2.gz AAHAWWWIYPXQKJ-SNVBAGLBSA-N 0 0 293.240 4.761 10 0 CJAERN CCc1ccc([C@@H](O)c2cc(Cl)sc2Cl)s1 ZINC000043640421 175084376 /nfs/dbraw/zinc/08/43/76/175084376.db2.gz AAHAWWWIYPXQKJ-JTQLQIEISA-N 0 0 293.240 4.761 10 0 CJAERN O=C1CCCCC[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000043650052 175085327 /nfs/dbraw/zinc/08/53/27/175085327.db2.gz IUAQPAIIFXEUHD-NSHDSACASA-N 0 0 271.187 4.685 10 0 CJAERN O=C1CCCCC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000043650054 175085528 /nfs/dbraw/zinc/08/55/28/175085528.db2.gz IUAQPAIIFXEUHD-LLVKDONJSA-N 0 0 271.187 4.685 10 0 CJAERN O=C1CC[C@@H](c2ccccc2)C[C@H]1CC1CCCC1 ZINC000043654217 175085856 /nfs/dbraw/zinc/08/58/56/175085856.db2.gz SERLDBONYUZRQG-IAGOWNOFSA-N 0 0 256.389 4.720 10 0 CJAERN O=C1CC[C@H](c2ccccc2)C[C@H]1CC1CCCC1 ZINC000043654218 175085703 /nfs/dbraw/zinc/08/57/03/175085703.db2.gz SERLDBONYUZRQG-DLBZAZTESA-N 0 0 256.389 4.720 10 0 CJAERN O=C1CC[C@@H](c2ccccc2)C[C@@H]1CC1CCCC1 ZINC000043654219 175085762 /nfs/dbraw/zinc/08/57/62/175085762.db2.gz SERLDBONYUZRQG-SJORKVTESA-N 0 0 256.389 4.720 10 0 CJAERN O=C1CC[C@H](c2ccccc2)C[C@@H]1CC1CCCC1 ZINC000043654220 175085802 /nfs/dbraw/zinc/08/58/02/175085802.db2.gz SERLDBONYUZRQG-IRXDYDNUSA-N 0 0 256.389 4.720 10 0 CJAERN O[C@H](CCc1cccc2ccccc21)c1ccccc1 ZINC000043656432 175085922 /nfs/dbraw/zinc/08/59/22/175085922.db2.gz OAEVKOQZFPNCQP-LJQANCHMSA-N 0 0 262.352 4.506 10 0 CJAERN O[C@@H](CCc1cccc2ccccc21)c1ccccc1 ZINC000043656434 175085776 /nfs/dbraw/zinc/08/57/76/175085776.db2.gz OAEVKOQZFPNCQP-IBGZPJMESA-N 0 0 262.352 4.506 10 0 CJAERN O[C@H](CCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000043656501 175085704 /nfs/dbraw/zinc/08/57/04/175085704.db2.gz PUNQWJYUEUQCKO-OAHLLOKOSA-N 0 0 281.182 4.660 10 0 CJAERN O[C@@H](CCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000043656503 175085748 /nfs/dbraw/zinc/08/57/48/175085748.db2.gz PUNQWJYUEUQCKO-HNNXBMFYSA-N 0 0 281.182 4.660 10 0 CJAERN Cc1ccc(NCc2sccc2Br)c(C)c1 ZINC000043674520 175087823 /nfs/dbraw/zinc/08/78/23/175087823.db2.gz YCNAXDUKICAXQR-UHFFFAOYSA-N 0 0 296.233 4.740 10 0 CJAERN Cc1ccc(NCc2sccc2Br)cc1C ZINC000043674691 175088048 /nfs/dbraw/zinc/08/80/48/175088048.db2.gz CFEXGVARHAVEOO-UHFFFAOYSA-N 0 0 296.233 4.740 10 0 CJAERN Cc1cccc(NCc2sccc2Br)c1C ZINC000043674783 175087776 /nfs/dbraw/zinc/08/77/76/175087776.db2.gz HDRWEQVJMLIPRC-UHFFFAOYSA-N 0 0 296.233 4.740 10 0 CJAERN Cc1ccc(C)c(NCc2sccc2Br)c1 ZINC000043674790 175088053 /nfs/dbraw/zinc/08/80/53/175088053.db2.gz XDROGFVDYFOEDP-UHFFFAOYSA-N 0 0 296.233 4.740 10 0 CJAERN CC1CCC(OCc2ccc(Br)s2)CC1 ZINC000043679372 175090481 /nfs/dbraw/zinc/09/04/81/175090481.db2.gz VGOSTFIAMCMGMQ-UHFFFAOYSA-N 0 0 289.238 4.606 10 0 CJAERN CC1CCC(OCc2sccc2Br)CC1 ZINC000043679376 175090487 /nfs/dbraw/zinc/09/04/87/175090487.db2.gz IEXAJIFGLMBCKV-UHFFFAOYSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@@H]1CCCC[C@@H]1OCc1ccc(Br)s1 ZINC000043679395 175090155 /nfs/dbraw/zinc/09/01/55/175090155.db2.gz POKQIZPAUDIJON-KOLCDFICSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@H]1CCCC[C@@H]1OCc1ccc(Br)s1 ZINC000043679397 175090353 /nfs/dbraw/zinc/09/03/53/175090353.db2.gz POKQIZPAUDIJON-ONGXEEELSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@@H]1CCCC[C@H]1OCc1ccc(Br)s1 ZINC000043679399 175090254 /nfs/dbraw/zinc/09/02/54/175090254.db2.gz POKQIZPAUDIJON-MWLCHTKSSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@H]1CCCC[C@H]1OCc1ccc(Br)s1 ZINC000043679401 175090464 /nfs/dbraw/zinc/09/04/64/175090464.db2.gz POKQIZPAUDIJON-GXSJLCMTSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@@H]1CCCC[C@@H]1OCc1sccc1Br ZINC000043679404 175090269 /nfs/dbraw/zinc/09/02/69/175090269.db2.gz ZSIMRXXYAXFLJU-KOLCDFICSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@H]1CCCC[C@@H]1OCc1sccc1Br ZINC000043679406 175090228 /nfs/dbraw/zinc/09/02/28/175090228.db2.gz ZSIMRXXYAXFLJU-ONGXEEELSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@@H]1CCCC[C@H]1OCc1sccc1Br ZINC000043679407 175090156 /nfs/dbraw/zinc/09/01/56/175090156.db2.gz ZSIMRXXYAXFLJU-MWLCHTKSSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@H]1CCCC[C@H]1OCc1sccc1Br ZINC000043679408 175090158 /nfs/dbraw/zinc/09/01/58/175090158.db2.gz ZSIMRXXYAXFLJU-GXSJLCMTSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@H](OCc1ccc(Br)s1)c1ccccc1 ZINC000043679442 175090615 /nfs/dbraw/zinc/09/06/15/175090615.db2.gz RFYGHDTYJBUJGV-JTQLQIEISA-N 0 0 297.217 4.788 10 0 CJAERN C[C@@H](OCc1ccc(Br)s1)c1ccccc1 ZINC000043679443 175090495 /nfs/dbraw/zinc/09/04/95/175090495.db2.gz RFYGHDTYJBUJGV-SNVBAGLBSA-N 0 0 297.217 4.788 10 0 CJAERN C[C@H](OCc1sccc1Br)c1ccccc1 ZINC000043679448 175090578 /nfs/dbraw/zinc/09/05/78/175090578.db2.gz WVWKIMLGUCZGSZ-JTQLQIEISA-N 0 0 297.217 4.788 10 0 CJAERN C[C@@H](OCc1sccc1Br)c1ccccc1 ZINC000043679449 175090089 /nfs/dbraw/zinc/09/00/89/175090089.db2.gz WVWKIMLGUCZGSZ-SNVBAGLBSA-N 0 0 297.217 4.788 10 0 CJAERN C[C@@H]1CCC[C@H](OCc2ccc(Br)s2)C1 ZINC000043679732 175090306 /nfs/dbraw/zinc/09/03/06/175090306.db2.gz SETYNCFABSIJIY-ZJUUUORDSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@H]1CCC[C@H](OCc2ccc(Br)s2)C1 ZINC000043679733 175090275 /nfs/dbraw/zinc/09/02/75/175090275.db2.gz SETYNCFABSIJIY-UWVGGRQHSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@@H]1CCC[C@@H](OCc2ccc(Br)s2)C1 ZINC000043679734 175090229 /nfs/dbraw/zinc/09/02/29/175090229.db2.gz SETYNCFABSIJIY-NXEZZACHSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@H]1CCC[C@@H](OCc2ccc(Br)s2)C1 ZINC000043679735 175090363 /nfs/dbraw/zinc/09/03/63/175090363.db2.gz SETYNCFABSIJIY-VHSXEESVSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@@H]1CCC[C@H](OCc2sccc2Br)C1 ZINC000043679738 175090277 /nfs/dbraw/zinc/09/02/77/175090277.db2.gz YUASLMLOSVBYCX-ZJUUUORDSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@H]1CCC[C@H](OCc2sccc2Br)C1 ZINC000043679739 175090513 /nfs/dbraw/zinc/09/05/13/175090513.db2.gz YUASLMLOSVBYCX-UWVGGRQHSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@@H]1CCC[C@@H](OCc2sccc2Br)C1 ZINC000043679740 175090112 /nfs/dbraw/zinc/09/01/12/175090112.db2.gz YUASLMLOSVBYCX-NXEZZACHSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@H]1CCC[C@@H](OCc2sccc2Br)C1 ZINC000043679741 175090186 /nfs/dbraw/zinc/09/01/86/175090186.db2.gz YUASLMLOSVBYCX-VHSXEESVSA-N 0 0 289.238 4.606 10 0 CJAERN CC[C@@H](C)SCc1ccc(Br)s1 ZINC000043681964 175090822 /nfs/dbraw/zinc/09/08/22/175090822.db2.gz YRWFMQHKOICLLA-SSDOTTSWSA-N 0 0 265.241 4.542 10 0 CJAERN CC[C@H](C)SCc1ccc(Br)s1 ZINC000043681965 175091009 /nfs/dbraw/zinc/09/10/09/175091009.db2.gz YRWFMQHKOICLLA-ZETCQYMHSA-N 0 0 265.241 4.542 10 0 CJAERN CC(C)(C)SCc1ccc(Br)s1 ZINC000043681969 175091095 /nfs/dbraw/zinc/09/10/95/175091095.db2.gz LQKOWAJPPPGBFF-UHFFFAOYSA-N 0 0 265.241 4.542 10 0 CJAERN CC1CCC(OCc2cc(Br)cs2)CC1 ZINC000043687555 175094920 /nfs/dbraw/zinc/09/49/20/175094920.db2.gz QEWGSZDWRNQJGT-UHFFFAOYSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@@H]1CCCC[C@@H]1OCc1cc(Br)cs1 ZINC000043687558 175095019 /nfs/dbraw/zinc/09/50/19/175095019.db2.gz NJIBQVJXHZQZDS-SKDRFNHKSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@H]1CCCC[C@@H]1OCc1cc(Br)cs1 ZINC000043687559 175095035 /nfs/dbraw/zinc/09/50/35/175095035.db2.gz NJIBQVJXHZQZDS-CABZTGNLSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@@H]1CCCC[C@H]1OCc1cc(Br)cs1 ZINC000043687560 175095016 /nfs/dbraw/zinc/09/50/16/175095016.db2.gz NJIBQVJXHZQZDS-BXKDBHETSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@H]1CCCC[C@H]1OCc1cc(Br)cs1 ZINC000043687561 175095037 /nfs/dbraw/zinc/09/50/37/175095037.db2.gz NJIBQVJXHZQZDS-JOYOIKCWSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@H](OCc1cc(Br)cs1)c1ccccc1 ZINC000043687565 175094946 /nfs/dbraw/zinc/09/49/46/175094946.db2.gz DFAQQARBCPYPBX-JTQLQIEISA-N 0 0 297.217 4.788 10 0 CJAERN C[C@@H](OCc1cc(Br)cs1)c1ccccc1 ZINC000043687566 175095057 /nfs/dbraw/zinc/09/50/57/175095057.db2.gz DFAQQARBCPYPBX-SNVBAGLBSA-N 0 0 297.217 4.788 10 0 CJAERN C[C@@H]1CCC[C@H](OCc2cc(Br)cs2)C1 ZINC000043687624 175094885 /nfs/dbraw/zinc/09/48/85/175094885.db2.gz YOKAKDRXOHMCRV-KOLCDFICSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@H]1CCC[C@H](OCc2cc(Br)cs2)C1 ZINC000043687626 175094982 /nfs/dbraw/zinc/09/49/82/175094982.db2.gz YOKAKDRXOHMCRV-ONGXEEELSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@@H]1CCC[C@@H](OCc2cc(Br)cs2)C1 ZINC000043687628 175095049 /nfs/dbraw/zinc/09/50/49/175095049.db2.gz YOKAKDRXOHMCRV-MWLCHTKSSA-N 0 0 289.238 4.606 10 0 CJAERN C[C@H]1CCC[C@@H](OCc2cc(Br)cs2)C1 ZINC000043687630 175094834 /nfs/dbraw/zinc/09/48/34/175094834.db2.gz YOKAKDRXOHMCRV-GXSJLCMTSA-N 0 0 289.238 4.606 10 0 CJAERN Brc1csc(COC2CCCCCC2)c1 ZINC000043687699 175094983 /nfs/dbraw/zinc/09/49/83/175094983.db2.gz MPIBICQBJBIUSC-UHFFFAOYSA-N 0 0 289.238 4.750 10 0 CJAERN Brc1csc(CSc2ccccc2)c1 ZINC000043687733 175094941 /nfs/dbraw/zinc/09/49/41/175094941.db2.gz LFSNKRIHDOFVFS-UHFFFAOYSA-N 0 0 285.231 4.803 10 0 CJAERN Brc1csc(CSCc2ccco2)c1 ZINC000043687770 175094873 /nfs/dbraw/zinc/09/48/73/175094873.db2.gz NDIFPKMDSOJIDF-UHFFFAOYSA-N 0 0 289.219 4.537 10 0 CJAERN CC(C)(C)c1ccc(-c2nc(Br)cs2)cc1 ZINC000044119721 175142779 /nfs/dbraw/zinc/14/27/79/175142779.db2.gz BWEOOEDBBKBSCG-UHFFFAOYSA-N 0 0 296.233 4.870 10 0 CJAERN CC(C)(C)c1ccc(-c2cccc(Br)n2)cc1 ZINC000044120293 175142888 /nfs/dbraw/zinc/14/28/88/175142888.db2.gz RKUGIXXIKPWYCD-UHFFFAOYSA-N 0 0 290.204 4.809 10 0 CJAERN FC(F)(F)c1ccccc1-c1ccc(Br)o1 ZINC000044120996 175142650 /nfs/dbraw/zinc/14/26/50/175142650.db2.gz SOAURLMAWHBZKK-UHFFFAOYSA-N 0 0 291.066 4.728 10 0 CJAERN CC(C)(C)c1ccc(-c2ncc(Br)s2)cc1 ZINC000044121628 175143199 /nfs/dbraw/zinc/14/31/99/175143199.db2.gz JCRAIYGMVKRWRS-UHFFFAOYSA-N 0 0 296.233 4.870 10 0 CJAERN CCCCCCSc1nc2ccc(N)cc2s1 ZINC000044172655 175149030 /nfs/dbraw/zinc/14/90/30/175149030.db2.gz TVGNPJFRCTXPKH-UHFFFAOYSA-N 0 0 266.435 4.551 10 0 CJAERN CCOC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000044200919 175153961 /nfs/dbraw/zinc/15/39/61/175153961.db2.gz SNUNHOYYQWPHJO-UHFFFAOYSA-N 0 0 294.272 4.549 10 0 CJAERN Cc1cccc([C@H](O)Cc2c(Cl)cccc2Cl)c1 ZINC000044266690 175157928 /nfs/dbraw/zinc/15/79/28/175157928.db2.gz SXEWMSGDOARNBC-OAHLLOKOSA-N 0 0 281.182 4.578 10 0 CJAERN Cc1cccc([C@@H](O)Cc2c(Cl)cccc2Cl)c1 ZINC000044266694 175157681 /nfs/dbraw/zinc/15/76/81/175157681.db2.gz SXEWMSGDOARNBC-HNNXBMFYSA-N 0 0 281.182 4.578 10 0 CJAERN Cc1ccccc1[C@@H](C)Nc1cccc(C(F)(F)F)n1 ZINC000044271751 525362192 /nfs/dbraw/zinc/36/21/92/525362192.db2.gz NPOIIWKLJRYXSG-LLVKDONJSA-N 0 0 280.293 4.582 10 0 CJAERN Cc1ccccc1[C@H](C)Nc1cccc(C(F)(F)F)n1 ZINC000044271753 525420162 /nfs/dbraw/zinc/42/01/62/525420162.db2.gz NPOIIWKLJRYXSG-NSHDSACASA-N 0 0 280.293 4.582 10 0 CJAERN CC[C@H](Nc1cccc(C(F)(F)F)n1)c1cccs1 ZINC000044271764 522771627 /nfs/dbraw/zinc/77/16/27/522771627.db2.gz FNFAOTDVXQDNQX-VIFPVBQESA-N 0 0 286.322 4.725 10 0 CJAERN CC[C@@H](Nc1cccc(C(F)(F)F)n1)c1cccs1 ZINC000044271766 522961603 /nfs/dbraw/zinc/96/16/03/522961603.db2.gz FNFAOTDVXQDNQX-SECBINFHSA-N 0 0 286.322 4.725 10 0 CJAERN CC(C)CCC[C@@H](C)Nc1ccc(N)cc1Cl ZINC000044386403 175170166 /nfs/dbraw/zinc/17/01/66/175170166.db2.gz QCZANJRPUMFPBL-LLVKDONJSA-N 0 0 254.805 4.549 10 0 CJAERN CC(C)CCC[C@H](C)Nc1ccc(N)cc1Cl ZINC000044386406 175170249 /nfs/dbraw/zinc/17/02/49/175170249.db2.gz QCZANJRPUMFPBL-NSHDSACASA-N 0 0 254.805 4.549 10 0 CJAERN CCOC(=O)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC000044699521 175235583 /nfs/dbraw/zinc/23/55/83/175235583.db2.gz IFCZXPPVLLYTEC-UHFFFAOYSA-N 0 0 291.734 4.701 10 0 in-vitro CJAERN CCn1nc(C)c([C@@H](C)Nc2ccc(C)c(Cl)c2)c1C ZINC000045167031 330340587 /nfs/dbraw/zinc/34/05/87/330340587.db2.gz JCFLHPSDMSATHY-LLVKDONJSA-N 0 0 291.826 4.655 10 0 CJAERN CCn1nc(C)c([C@H](C)Nc2ccc(C)c(Cl)c2)c1C ZINC000045167033 330340562 /nfs/dbraw/zinc/34/05/62/330340562.db2.gz JCFLHPSDMSATHY-NSHDSACASA-N 0 0 291.826 4.655 10 0 CJAERN CCn1nc(C)c([C@@H](C)Nc2ccc(C(C)C)cc2)c1C ZINC000045167325 330340653 /nfs/dbraw/zinc/34/06/53/330340653.db2.gz JHAYXRQXHQSYGT-CYBMUJFWSA-N 0 0 285.435 4.816 10 0 CJAERN CCn1nc(C)c([C@H](C)Nc2ccc(C(C)C)cc2)c1C ZINC000045167327 330340546 /nfs/dbraw/zinc/34/05/46/330340546.db2.gz JHAYXRQXHQSYGT-ZDUSSCGKSA-N 0 0 285.435 4.816 10 0 CJAERN Cc1cc(Nc2ccccc2)nc(Nc2ccccc2C)n1 ZINC000045168297 175319454 /nfs/dbraw/zinc/31/94/54/175319454.db2.gz OYTMTTDNHGPUES-UHFFFAOYSA-N 0 0 290.370 4.581 10 0 CJAERN CCn1nc(C)c([C@@H](C)Nc2cccc(C(C)C)c2)c1C ZINC000045168411 330340574 /nfs/dbraw/zinc/34/05/74/330340574.db2.gz MHLYOJCPDZXVPQ-CYBMUJFWSA-N 0 0 285.435 4.816 10 0 CJAERN CCn1nc(C)c([C@H](C)Nc2cccc(C(C)C)c2)c1C ZINC000045168413 330340596 /nfs/dbraw/zinc/34/05/96/330340596.db2.gz MHLYOJCPDZXVPQ-ZDUSSCGKSA-N 0 0 285.435 4.816 10 0 CJAERN CCn1nc(C)c([C@@H](C)Nc2ccc(C)cc2Cl)c1C ZINC000045169058 330340606 /nfs/dbraw/zinc/34/06/06/330340606.db2.gz AYKBHHGAGYAFHJ-LLVKDONJSA-N 0 0 291.826 4.655 10 0 CJAERN CCn1nc(C)c([C@H](C)Nc2ccc(C)cc2Cl)c1C ZINC000045169061 330340635 /nfs/dbraw/zinc/34/06/35/330340635.db2.gz AYKBHHGAGYAFHJ-NSHDSACASA-N 0 0 291.826 4.655 10 0 CJAERN CCCNc1nc(Nc2ccccc2C)nc2ccccc21 ZINC000045189464 175326510 /nfs/dbraw/zinc/32/65/10/175326510.db2.gz FHMBYIIWVGHHRU-UHFFFAOYSA-N 0 0 292.386 4.504 10 0 CJAERN Cc1c(-c2ccccc2)sc(N)c1C(=O)c1ccccc1 ZINC000045245832 175336503 /nfs/dbraw/zinc/33/65/03/175336503.db2.gz DUMIHKYUAPGCHM-UHFFFAOYSA-N 0 0 293.391 4.537 10 0 CJAERN Cc1cccc(-c2ccc3c(c2)C(C)(C)CC3=O)c1 ZINC000045245855 175336336 /nfs/dbraw/zinc/33/63/36/175336336.db2.gz IQXQUXAACBOTRO-UHFFFAOYSA-N 0 0 250.341 4.526 10 0 in-vivo CJAERN CC1(C)CC(=O)c2ccc(-c3cccc(Cl)c3)cc21 ZINC000045289237 175354011 /nfs/dbraw/zinc/35/40/11/175354011.db2.gz MLEKUDPUDCDRFM-UHFFFAOYSA-N 0 0 270.759 4.871 10 0 CJAERN CCSc1nc2ccccc2n1C1CCCCC1 ZINC000045918820 175386173 /nfs/dbraw/zinc/38/61/73/175386173.db2.gz WEFNDRRKNBEVBG-UHFFFAOYSA-N 0 0 260.406 4.654 10 0 CJAERN CCc1ccccc1Nc1nc2cc(Cl)ccc2[nH]1 ZINC000045918839 175386228 /nfs/dbraw/zinc/38/62/28/175386228.db2.gz XDGWZBLRWWAKIL-UHFFFAOYSA-N 0 0 271.751 4.522 10 0 CJAERN CC(C)CCn1c(Cc2cccs2)nc2ccccc21 ZINC000047131618 519700560 /nfs/dbraw/zinc/70/05/60/519700560.db2.gz WSDLUXBJTVMVPJ-UHFFFAOYSA-N 0 0 284.428 4.735 10 0 CJAERN CCCCn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000047131626 521375636 /nfs/dbraw/zinc/37/56/36/521375636.db2.gz NKKJTZXLUYQAKJ-UHFFFAOYSA-N 0 0 268.335 4.643 10 0 CJAERN Cc1ccc2c(n1)nc(C)cc2Nc1ccccc1Cl ZINC000047162327 526223633 /nfs/dbraw/zinc/22/36/33/526223633.db2.gz SCNDQSFTXQYMCA-UHFFFAOYSA-N 0 0 283.762 4.644 10 0 CJAERN CCc1ccccc1Nc1cc(C)nc2nc(C)ccc12 ZINC000047162379 521911152 /nfs/dbraw/zinc/91/11/52/521911152.db2.gz LVKSNAZZWTWOFS-UHFFFAOYSA-N 0 0 277.371 4.553 10 0 CJAERN Cc1ccc(Nc2cc(C)nc3nc(C)ccc23)c(C)c1 ZINC000047162408 525321906 /nfs/dbraw/zinc/32/19/06/525321906.db2.gz NYBFNCMCGSRQBO-UHFFFAOYSA-N 0 0 277.371 4.607 10 0 CJAERN Cc1ccccc1CSCC(=O)c1ccc(Cl)s1 ZINC000047820283 175413872 /nfs/dbraw/zinc/41/38/72/175413872.db2.gz RRPGDRVHKDMRFB-UHFFFAOYSA-N 0 0 296.844 4.826 10 0 CJAERN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1 ZINC000047820522 175413942 /nfs/dbraw/zinc/41/39/42/175413942.db2.gz LRECRXFBOFDBPX-SNVBAGLBSA-N 0 0 295.165 4.644 10 0 CJAERN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000047822078 175414085 /nfs/dbraw/zinc/41/40/85/175414085.db2.gz GWWCFNVXUPMTEP-SNVBAGLBSA-N 0 0 295.165 4.644 10 0 CJAERN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)c1ccccc1 ZINC000047822450 175413833 /nfs/dbraw/zinc/41/38/33/175413833.db2.gz VUNJOYXVKXWUQR-JTQLQIEISA-N 0 0 295.165 4.644 10 0 CJAERN FC(F)(F)c1cccnc1N[C@H]1CCCc2ccccc21 ZINC000047852493 326931827 /nfs/dbraw/zinc/93/18/27/326931827.db2.gz QRXQZPBGYBWMOW-AWEZNQCLSA-N 0 0 292.304 4.590 10 0 CJAERN FC(F)(F)c1cccnc1N[C@@H]1CCCc2ccccc21 ZINC000047852495 326931849 /nfs/dbraw/zinc/93/18/49/326931849.db2.gz QRXQZPBGYBWMOW-CQSZACIVSA-N 0 0 292.304 4.590 10 0 CJAERN c1ccc2nc(N[C@@H]3CCCc4ccccc43)ccc2c1 ZINC000047874029 327216346 /nfs/dbraw/zinc/21/63/46/327216346.db2.gz VKVCGPJURVLNGZ-GOSISDBHSA-N 0 0 274.367 4.724 10 0 CJAERN c1ccc2nc(N[C@H]3CCCc4ccccc43)ccc2c1 ZINC000047874030 327216525 /nfs/dbraw/zinc/21/65/25/327216525.db2.gz VKVCGPJURVLNGZ-SFHVURJKSA-N 0 0 274.367 4.724 10 0 CJAERN C[C@H](Oc1cccc(Cl)c1)C(=O)c1cccc(Cl)c1 ZINC000048102808 175419940 /nfs/dbraw/zinc/41/99/40/175419940.db2.gz YKHJCJYYRNSTFZ-JTQLQIEISA-N 0 0 295.165 4.644 10 0 CJAERN C[C@@H](Oc1cccc(Cl)c1)C(=O)c1ccc(Cl)cc1 ZINC000048102819 175420123 /nfs/dbraw/zinc/42/01/23/175420123.db2.gz XXORXOHEQZSRBQ-SNVBAGLBSA-N 0 0 295.165 4.644 10 0 CJAERN Cc1ccccc1NCc1csc2ccccc12 ZINC000048329981 525272680 /nfs/dbraw/zinc/27/26/80/525272680.db2.gz DMJGREWEWHAOGD-UHFFFAOYSA-N 0 0 253.370 4.822 10 0 CJAERN CC(=O)c1cc(F)ccc1SCc1ccccc1C ZINC000048935940 518288423 /nfs/dbraw/zinc/28/84/23/518288423.db2.gz PJISSVYTMKPOIO-UHFFFAOYSA-N 0 0 274.360 4.629 10 0 CJAERN Fc1cccc(F)c1-c1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000049110289 526392890 /nfs/dbraw/zinc/39/28/90/526392890.db2.gz DEOOSNIGWNBSCQ-UHFFFAOYSA-N 0 0 298.214 4.527 10 0 CJAERN CC(C)c1ccccc1NCc1c[nH]c2ccccc12 ZINC000049136370 519846555 /nfs/dbraw/zinc/84/65/55/519846555.db2.gz ZQMRPCBSWCSXGX-UHFFFAOYSA-N 0 0 264.372 4.903 10 0 CJAERN CC(C)c1ccc(NCc2c[nH]c3ccccc23)cc1 ZINC000049136378 519837871 /nfs/dbraw/zinc/83/78/71/519837871.db2.gz IGXTVSPRJHXTSD-UHFFFAOYSA-N 0 0 264.372 4.903 10 0 CJAERN Fc1cc(Cl)ccc1NCc1c[nH]c2ccccc12 ZINC000049136480 526301769 /nfs/dbraw/zinc/30/17/69/526301769.db2.gz HJIIIARBQHJRAN-UHFFFAOYSA-N 0 0 274.726 4.573 10 0 CJAERN CSc1ccccc1NCc1c[nH]c2ccccc12 ZINC000049136696 526176596 /nfs/dbraw/zinc/17/65/96/526176596.db2.gz QXBBIMOQGKCKSX-UHFFFAOYSA-N 0 0 268.385 4.502 10 0 CJAERN S=c1[nH]c2cc(Cl)ccc2n1CCc1ccsc1 ZINC000049184835 526387168 /nfs/dbraw/zinc/38/71/68/526387168.db2.gz ZDGNXRMXBOSIKS-UHFFFAOYSA-N 0 0 294.832 4.656 10 0 CJAERN S=c1[nH]c2cccc(Cl)c2n1CCc1ccsc1 ZINC000049184845 526386624 /nfs/dbraw/zinc/38/66/24/526386624.db2.gz RMZGVHDUONRMPK-UHFFFAOYSA-N 0 0 294.832 4.656 10 0 CJAERN CCCCCC[C@H](C)Nc1ccc(Cl)cc1N ZINC000049193908 520131074 /nfs/dbraw/zinc/13/10/74/520131074.db2.gz WOVVSYUNCOVCDA-NSHDSACASA-N 0 0 254.805 4.693 10 0 CJAERN CCCCCC[C@@H](C)Nc1ccc(N)cc1Cl ZINC000049193911 520117083 /nfs/dbraw/zinc/11/70/83/520117083.db2.gz ZZQPFLRDCXTWOZ-LLVKDONJSA-N 0 0 254.805 4.693 10 0 CJAERN CCCCCC[C@H](C)Nc1ccc(N)cc1Cl ZINC000049193914 520133012 /nfs/dbraw/zinc/13/30/12/520133012.db2.gz ZZQPFLRDCXTWOZ-NSHDSACASA-N 0 0 254.805 4.693 10 0 CJAERN CCCCCC[C@@H](C)n1c(=S)[nH]nc1C(C)C ZINC000049219531 520119764 /nfs/dbraw/zinc/11/97/64/520119764.db2.gz FGGMGUKHHOQEDQ-LLVKDONJSA-N 0 0 255.431 4.595 10 0 CJAERN CCCCCC[C@H](C)n1c(=S)[nH]nc1C(C)C ZINC000049219534 520131861 /nfs/dbraw/zinc/13/18/61/520131861.db2.gz FGGMGUKHHOQEDQ-NSHDSACASA-N 0 0 255.431 4.595 10 0 CJAERN S=c1[nH]c2cc(Cl)ccc2n1C(C1CC1)C1CC1 ZINC000049236274 526387135 /nfs/dbraw/zinc/38/71/35/526387135.db2.gz ROWYVYRGTIOMAE-UHFFFAOYSA-N 0 0 278.808 4.713 10 0 CJAERN S=c1[nH]c2cccc(Cl)c2n1C(C1CC1)C1CC1 ZINC000049236278 526386597 /nfs/dbraw/zinc/38/65/97/526386597.db2.gz XGCBIYXCMVKASB-UHFFFAOYSA-N 0 0 278.808 4.713 10 0 CJAERN Cc1ccc(C)c(CSc2ccc(Cl)cc2N)c1 ZINC000049256915 524106525 /nfs/dbraw/zinc/10/65/25/524106525.db2.gz FUVFLUVGBKMJDX-UHFFFAOYSA-N 0 0 277.820 4.831 10 0 CJAERN Cc1ccc(C)c(CSc2c(N)cccc2Cl)c1 ZINC000049256933 524106505 /nfs/dbraw/zinc/10/65/05/524106505.db2.gz QRABMUTZOPUTRZ-UHFFFAOYSA-N 0 0 277.820 4.831 10 0 CJAERN Cc1ccc(C)c(CSc2ccc(N)cc2Cl)c1 ZINC000049256935 524107869 /nfs/dbraw/zinc/10/78/69/524107869.db2.gz NSKOUYGPTSKUDP-UHFFFAOYSA-N 0 0 277.820 4.831 10 0 CJAERN CC(C)c1nc(CSc2ccc(Cl)cc2N)cs1 ZINC000049277032 519864962 /nfs/dbraw/zinc/86/49/62/519864962.db2.gz XYZXNMCEVAGAAL-UHFFFAOYSA-N 0 0 298.864 4.794 10 0 CJAERN CC(C)c1nc(CSc2c(N)cccc2Cl)cs1 ZINC000049277061 519865122 /nfs/dbraw/zinc/86/51/22/519865122.db2.gz JYIMWJLLECXLRT-UHFFFAOYSA-N 0 0 298.864 4.794 10 0 CJAERN Fc1cccc(-c2nc3c4ccccc4oc3c(Cl)n2)c1 ZINC000049452925 175478248 /nfs/dbraw/zinc/47/82/48/175478248.db2.gz BPXGNUYCGPLJNE-UHFFFAOYSA-N 0 0 298.704 4.836 10 0 CJAERN Cc1cc([C@@H](C)Nc2ccc(Cl)cc2N)c(C)s1 ZINC000049506277 525477662 /nfs/dbraw/zinc/47/76/62/525477662.db2.gz RZCAOPOWHPXGQS-SECBINFHSA-N 0 0 280.824 4.774 10 0 CJAERN Cc1cc([C@H](C)Nc2ccc(Cl)cc2N)c(C)s1 ZINC000049506279 525532622 /nfs/dbraw/zinc/53/26/22/525532622.db2.gz RZCAOPOWHPXGQS-VIFPVBQESA-N 0 0 280.824 4.774 10 0 CJAERN Cc1cc([C@@H](C)Nc2c(N)cccc2Cl)c(C)s1 ZINC000049506289 525476874 /nfs/dbraw/zinc/47/68/74/525476874.db2.gz REFWTBMZCIIABO-SECBINFHSA-N 0 0 280.824 4.774 10 0 CJAERN Cc1cc([C@H](C)Nc2c(N)cccc2Cl)c(C)s1 ZINC000049506291 525532279 /nfs/dbraw/zinc/53/22/79/525532279.db2.gz REFWTBMZCIIABO-VIFPVBQESA-N 0 0 280.824 4.774 10 0 CJAERN C[C@H](Nc1ccc(Cl)cc1N)c1ccccc1Cl ZINC000049506674 525651211 /nfs/dbraw/zinc/65/12/11/525651211.db2.gz IEXMSFCUKAXNJH-VIFPVBQESA-N 0 0 281.186 4.749 10 0 CJAERN C[C@@H](Nc1ccc(Cl)cc1N)c1ccccc1Cl ZINC000049506676 525704414 /nfs/dbraw/zinc/70/44/14/525704414.db2.gz IEXMSFCUKAXNJH-SECBINFHSA-N 0 0 281.186 4.749 10 0 CJAERN C[C@H](Nc1c(N)cccc1Cl)c1ccccc1Cl ZINC000049506682 525641781 /nfs/dbraw/zinc/64/17/81/525641781.db2.gz SGSVWBUATRGSCH-VIFPVBQESA-N 0 0 281.186 4.749 10 0 CJAERN C[C@@H](Nc1c(N)cccc1Cl)c1ccccc1Cl ZINC000049506684 525696040 /nfs/dbraw/zinc/69/60/40/525696040.db2.gz SGSVWBUATRGSCH-SECBINFHSA-N 0 0 281.186 4.749 10 0 CJAERN C[C@H](Nc1ccc(Cl)cc1N)c1cccc(Cl)c1 ZINC000049515357 525651387 /nfs/dbraw/zinc/65/13/87/525651387.db2.gz VKQYXDFAXPMHNF-VIFPVBQESA-N 0 0 281.186 4.749 10 0 CJAERN C[C@@H](Nc1ccc(Cl)cc1N)c1cccc(Cl)c1 ZINC000049515360 525705142 /nfs/dbraw/zinc/70/51/42/525705142.db2.gz VKQYXDFAXPMHNF-SECBINFHSA-N 0 0 281.186 4.749 10 0 CJAERN C[C@H](Nc1ccc(N)cc1Cl)c1cccc(Cl)c1 ZINC000049515379 525655831 /nfs/dbraw/zinc/65/58/31/525655831.db2.gz PUGFMTFROLDNJK-VIFPVBQESA-N 0 0 281.186 4.749 10 0 CJAERN C[C@@H](Nc1ccc(N)cc1Cl)c1cccc(Cl)c1 ZINC000049515381 525706056 /nfs/dbraw/zinc/70/60/56/525706056.db2.gz PUGFMTFROLDNJK-SECBINFHSA-N 0 0 281.186 4.749 10 0 CJAERN C[C@H](Nc1c(N)cccc1Cl)c1cccc(Cl)c1 ZINC000049515401 525641386 /nfs/dbraw/zinc/64/13/86/525641386.db2.gz DRVTVZUUUBWWDJ-VIFPVBQESA-N 0 0 281.186 4.749 10 0 CJAERN C[C@@H](Nc1c(N)cccc1Cl)c1cccc(Cl)c1 ZINC000049515403 525695268 /nfs/dbraw/zinc/69/52/68/525695268.db2.gz DRVTVZUUUBWWDJ-SECBINFHSA-N 0 0 281.186 4.749 10 0 CJAERN C[C@H](Nc1ccc(Cl)cc1N)c1ccc(Cl)cc1 ZINC000049525032 525651550 /nfs/dbraw/zinc/65/15/50/525651550.db2.gz IQCVIXIRWPUDHO-VIFPVBQESA-N 0 0 281.186 4.749 10 0 CJAERN C[C@@H](Nc1ccc(Cl)cc1N)c1ccc(Cl)cc1 ZINC000049525034 525704658 /nfs/dbraw/zinc/70/46/58/525704658.db2.gz IQCVIXIRWPUDHO-SECBINFHSA-N 0 0 281.186 4.749 10 0 CJAERN C[C@H](Nc1c(N)cccc1Cl)c1ccc(Cl)cc1 ZINC000049525046 525641273 /nfs/dbraw/zinc/64/12/73/525641273.db2.gz OMPODJQEJVUVOJ-VIFPVBQESA-N 0 0 281.186 4.749 10 0 CJAERN C[C@@H](Nc1c(N)cccc1Cl)c1ccc(Cl)cc1 ZINC000049525048 525695740 /nfs/dbraw/zinc/69/57/40/525695740.db2.gz OMPODJQEJVUVOJ-SECBINFHSA-N 0 0 281.186 4.749 10 0 CJAERN C[C@H](Nc1ccc(Cl)cn1)c1ccc(Cl)cc1 ZINC000049526170 525653669 /nfs/dbraw/zinc/65/36/69/525653669.db2.gz UFCBQQFEDGMYKQ-VIFPVBQESA-N 0 0 267.159 4.562 10 0 CJAERN C[C@@H](Nc1ccc(Cl)cn1)c1ccc(Cl)cc1 ZINC000049526171 525704278 /nfs/dbraw/zinc/70/42/78/525704278.db2.gz UFCBQQFEDGMYKQ-SECBINFHSA-N 0 0 267.159 4.562 10 0 CJAERN COc1ccc(N[C@H](C)c2ccc(C)s2)cc1C ZINC000049528377 524706835 /nfs/dbraw/zinc/70/68/35/524706835.db2.gz KUZXHINRBFIGME-GFCCVEGCSA-N 0 0 261.390 4.547 10 0 CJAERN COc1ccc(N[C@@H](C)c2ccc(C)s2)cc1C ZINC000049528378 524701211 /nfs/dbraw/zinc/70/12/11/524701211.db2.gz KUZXHINRBFIGME-LBPRGKRZSA-N 0 0 261.390 4.547 10 0 CJAERN CC[C@H](Nc1ccc(OC)c(C)c1)c1cccs1 ZINC000049528399 522767967 /nfs/dbraw/zinc/76/79/67/522767967.db2.gz JVOUHTHZCMYBDM-ZDUSSCGKSA-N 0 0 261.390 4.628 10 0 CJAERN CC[C@@H](Nc1ccc(OC)c(C)c1)c1cccs1 ZINC000049528400 522958236 /nfs/dbraw/zinc/95/82/36/522958236.db2.gz JVOUHTHZCMYBDM-CYBMUJFWSA-N 0 0 261.390 4.628 10 0 CJAERN COc1ccc(N[C@@H](C)c2ccc(Cl)s2)cc1C ZINC000049528447 524700133 /nfs/dbraw/zinc/70/01/33/524700133.db2.gz IVTYWLGSHVHLBW-JTQLQIEISA-N 0 0 281.808 4.892 10 0 CJAERN COc1ccc(N[C@H](C)c2ccc(Cl)s2)cc1C ZINC000049528448 524708462 /nfs/dbraw/zinc/70/84/62/524708462.db2.gz IVTYWLGSHVHLBW-SNVBAGLBSA-N 0 0 281.808 4.892 10 0 CJAERN CC[C@H](Nc1ccc(Cl)cc1N)c1cccs1 ZINC000049529274 522767848 /nfs/dbraw/zinc/76/78/48/522767848.db2.gz JHDKVKQKFMDQES-NSHDSACASA-N 0 0 266.797 4.547 10 0 CJAERN CC[C@@H](Nc1ccc(Cl)cc1N)c1cccs1 ZINC000049529275 522959239 /nfs/dbraw/zinc/95/92/39/522959239.db2.gz JHDKVKQKFMDQES-LLVKDONJSA-N 0 0 266.797 4.547 10 0 CJAERN CC[C@H](Nc1ccc(N)cc1Cl)c1cccs1 ZINC000049529280 522767498 /nfs/dbraw/zinc/76/74/98/522767498.db2.gz MMFRQHXSLUBKOG-NSHDSACASA-N 0 0 266.797 4.547 10 0 CJAERN CC[C@@H](Nc1ccc(N)cc1Cl)c1cccs1 ZINC000049529281 522958745 /nfs/dbraw/zinc/95/87/45/522958745.db2.gz MMFRQHXSLUBKOG-LLVKDONJSA-N 0 0 266.797 4.547 10 0 CJAERN CC[C@H](Nc1nccc2sccc21)c1cccs1 ZINC000049531253 522781500 /nfs/dbraw/zinc/78/15/00/522781500.db2.gz YEQDBGPVGPZPSE-NSHDSACASA-N 0 0 274.414 4.921 10 0 CJAERN CC[C@@H](Nc1nccc2sccc21)c1cccs1 ZINC000049531254 522967155 /nfs/dbraw/zinc/96/71/55/522967155.db2.gz YEQDBGPVGPZPSE-LLVKDONJSA-N 0 0 274.414 4.921 10 0 CJAERN CC[C@H](Nc1nc2ccccc2s1)c1cccs1 ZINC000049531304 522779328 /nfs/dbraw/zinc/77/93/28/522779328.db2.gz IHXVOBNONPIQFV-JTQLQIEISA-N 0 0 274.414 4.921 10 0 CJAERN CC[C@@H](Nc1nc2ccccc2s1)c1cccs1 ZINC000049531305 522968897 /nfs/dbraw/zinc/96/88/97/522968897.db2.gz IHXVOBNONPIQFV-SNVBAGLBSA-N 0 0 274.414 4.921 10 0 CJAERN CC[C@@H](c1cccs1)n1c(=S)[nH]c2ccccc21 ZINC000049531522 523107206 /nfs/dbraw/zinc/10/72/06/523107206.db2.gz VVEYCDQZLGLBSN-NSHDSACASA-N 0 0 274.414 4.760 10 0 CJAERN CC[C@H](c1cccs1)n1c(=S)[nH]c2ccccc21 ZINC000049531523 522953318 /nfs/dbraw/zinc/95/33/18/522953318.db2.gz VVEYCDQZLGLBSN-LLVKDONJSA-N 0 0 274.414 4.760 10 0 CJAERN CC(C)c1cccc(NCc2c[nH]c3ccccc23)c1 ZINC000049537651 519842377 /nfs/dbraw/zinc/84/23/77/519842377.db2.gz LFNPZHRVJGPGQF-UHFFFAOYSA-N 0 0 264.372 4.903 10 0 CJAERN CSc1ccc(NCc2c[nH]c3ccccc23)cc1 ZINC000049537933 526042832 /nfs/dbraw/zinc/04/28/32/526042832.db2.gz LVAQVVJMYRIKNV-UHFFFAOYSA-N 0 0 268.385 4.502 10 0 CJAERN CCC[C@H](N[C@@H](C)c1csc(C)n1)c1cccs1 ZINC000049541568 521170601 /nfs/dbraw/zinc/17/06/01/521170601.db2.gz GXASVRNEIQBNAY-JQWIXIFHSA-N 0 0 280.462 4.705 10 0 CJAERN CCC[C@@H](N[C@H](C)c1csc(C)n1)c1cccs1 ZINC000049541571 520793767 /nfs/dbraw/zinc/79/37/67/520793767.db2.gz GXASVRNEIQBNAY-ZYHUDNBSSA-N 0 0 280.462 4.705 10 0 CJAERN CCC[C@H](Nc1ccc(N)cc1C)c1cccs1 ZINC000049542274 521179333 /nfs/dbraw/zinc/17/93/33/521179333.db2.gz NMBLXWCKKIKUOC-AWEZNQCLSA-N 0 0 260.406 4.592 10 0 CJAERN CCC[C@@H](Nc1ccc(N)cc1C)c1cccs1 ZINC000049542275 520794754 /nfs/dbraw/zinc/79/47/54/520794754.db2.gz NMBLXWCKKIKUOC-CQSZACIVSA-N 0 0 260.406 4.592 10 0 CJAERN CCC[C@H](Nc1ccc(C)cc1N)c1cccs1 ZINC000049542280 521179280 /nfs/dbraw/zinc/17/92/80/521179280.db2.gz CVPXORINYJHFFU-AWEZNQCLSA-N 0 0 260.406 4.592 10 0 CJAERN CCC[C@@H](Nc1ccc(C)cc1N)c1cccs1 ZINC000049542281 520796313 /nfs/dbraw/zinc/79/63/13/520796313.db2.gz CVPXORINYJHFFU-CQSZACIVSA-N 0 0 260.406 4.592 10 0 CJAERN CCC[C@H](Nc1ccc(N)c(C)c1)c1cccs1 ZINC000049542302 521179649 /nfs/dbraw/zinc/17/96/49/521179649.db2.gz DIYIVOJRQOKYEQ-AWEZNQCLSA-N 0 0 260.406 4.592 10 0 CJAERN CCC[C@@H](Nc1ccc(N)c(C)c1)c1cccs1 ZINC000049542303 520795900 /nfs/dbraw/zinc/79/59/00/520795900.db2.gz DIYIVOJRQOKYEQ-CQSZACIVSA-N 0 0 260.406 4.592 10 0 CJAERN CCC[C@H](Nc1ccc(Cl)cc1N)c1cccs1 ZINC000049542414 521179020 /nfs/dbraw/zinc/17/90/20/521179020.db2.gz RXLCFNJSGBLFRG-ZDUSSCGKSA-N 0 0 280.824 4.937 10 0 CJAERN CCC[C@@H](Nc1ccc(Cl)cc1N)c1cccs1 ZINC000049542415 520795518 /nfs/dbraw/zinc/79/55/18/520795518.db2.gz RXLCFNJSGBLFRG-CYBMUJFWSA-N 0 0 280.824 4.937 10 0 CJAERN CCC[C@H](Nc1ccc(N)cc1Cl)c1cccs1 ZINC000049542426 521179132 /nfs/dbraw/zinc/17/91/32/521179132.db2.gz JBMJSWDWZQUEAK-ZDUSSCGKSA-N 0 0 280.824 4.937 10 0 CJAERN CCC[C@@H](Nc1ccc(N)cc1Cl)c1cccs1 ZINC000049542427 520795705 /nfs/dbraw/zinc/79/57/05/520795705.db2.gz JBMJSWDWZQUEAK-CYBMUJFWSA-N 0 0 280.824 4.937 10 0 CJAERN C[C@H](O)c1ccccc1N[C@@H](C)c1ccc(Cl)s1 ZINC000049542789 525861164 /nfs/dbraw/zinc/86/11/64/525861164.db2.gz PILYRBQFDJXGJA-UWVGGRQHSA-N 0 0 281.808 4.628 10 0 CJAERN C[C@@H](O)c1ccccc1N[C@@H](C)c1ccc(Cl)s1 ZINC000049542790 525875070 /nfs/dbraw/zinc/87/50/70/525875070.db2.gz PILYRBQFDJXGJA-VHSXEESVSA-N 0 0 281.808 4.628 10 0 CJAERN C[C@@H](Nc1ccccc1[C@H](C)O)c1ccc(Cl)s1 ZINC000049542791 525721175 /nfs/dbraw/zinc/72/11/75/525721175.db2.gz PILYRBQFDJXGJA-ZJUUUORDSA-N 0 0 281.808 4.628 10 0 CJAERN C[C@@H](O)c1ccccc1N[C@H](C)c1ccc(Cl)s1 ZINC000049542792 525875215 /nfs/dbraw/zinc/87/52/15/525875215.db2.gz PILYRBQFDJXGJA-NXEZZACHSA-N 0 0 281.808 4.628 10 0 CJAERN CCC[C@H](Nc1ccc(Cl)cn1)c1cccs1 ZINC000049546047 521179812 /nfs/dbraw/zinc/17/98/12/521179812.db2.gz WVUONRQSDPMGPV-NSHDSACASA-N 0 0 266.797 4.750 10 0 CJAERN CCC[C@@H](Nc1ccc(Cl)cn1)c1cccs1 ZINC000049546049 520795194 /nfs/dbraw/zinc/79/51/94/520795194.db2.gz WVUONRQSDPMGPV-LLVKDONJSA-N 0 0 266.797 4.750 10 0 CJAERN CCC[C@H](Nc1ncccc1Cl)c1cccs1 ZINC000049546057 521179037 /nfs/dbraw/zinc/17/90/37/521179037.db2.gz DEOKNRIGVAFKTG-NSHDSACASA-N 0 0 266.797 4.750 10 0 CJAERN CCC[C@@H](Nc1ncccc1Cl)c1cccs1 ZINC000049546058 520797157 /nfs/dbraw/zinc/79/71/57/520797157.db2.gz DEOKNRIGVAFKTG-LLVKDONJSA-N 0 0 266.797 4.750 10 0 CJAERN CCC[C@@H](c1cccs1)n1c(=S)[nH]nc1C(C)C ZINC000049546401 520812060 /nfs/dbraw/zinc/81/20/60/520812060.db2.gz IRCVASSXAOJVLA-JTQLQIEISA-N 0 0 281.450 4.515 10 0 CJAERN CCC[C@H](c1cccs1)n1c(=S)[nH]nc1C(C)C ZINC000049546403 521196736 /nfs/dbraw/zinc/19/67/36/521196736.db2.gz IRCVASSXAOJVLA-SNVBAGLBSA-N 0 0 281.450 4.515 10 0 CJAERN CCCC1CCC(n2c(=S)[nH]nc2C(C)C)CC1 ZINC000049546436 519899390 /nfs/dbraw/zinc/89/93/90/519899390.db2.gz ZHGXLEGWLNFMQA-UHFFFAOYSA-N 0 0 267.442 4.595 10 0 CJAERN CC(C)[C@H](Nc1ccc(Cl)cc1N)c1cccs1 ZINC000049555157 519821723 /nfs/dbraw/zinc/82/17/23/519821723.db2.gz SGFWXZQTPATNHZ-AWEZNQCLSA-N 0 0 280.824 4.793 10 0 CJAERN CC(C)[C@@H](Nc1ccc(Cl)cc1N)c1cccs1 ZINC000049555158 519799737 /nfs/dbraw/zinc/79/97/37/519799737.db2.gz SGFWXZQTPATNHZ-CQSZACIVSA-N 0 0 280.824 4.793 10 0 CJAERN CC(C)[C@H](Nc1ccc(N)cc1Cl)c1cccs1 ZINC000049555159 519821747 /nfs/dbraw/zinc/82/17/47/519821747.db2.gz IPKZNUMWCSGULA-AWEZNQCLSA-N 0 0 280.824 4.793 10 0 CJAERN CC(C)[C@@H](Nc1ccc(N)cc1Cl)c1cccs1 ZINC000049555160 519799823 /nfs/dbraw/zinc/79/98/23/519799823.db2.gz IPKZNUMWCSGULA-CQSZACIVSA-N 0 0 280.824 4.793 10 0 CJAERN CC(C)[C@H](Nc1ccc(Cl)cn1)c1cccs1 ZINC000049558367 519821750 /nfs/dbraw/zinc/82/17/50/519821750.db2.gz MIMARKCJIRNDAQ-ZDUSSCGKSA-N 0 0 266.797 4.606 10 0 CJAERN CC(C)[C@@H](Nc1ccc(Cl)cn1)c1cccs1 ZINC000049558368 519799757 /nfs/dbraw/zinc/79/97/57/519799757.db2.gz MIMARKCJIRNDAQ-CYBMUJFWSA-N 0 0 266.797 4.606 10 0 CJAERN CC(C)[C@H](Nc1ncccc1Cl)c1cccs1 ZINC000049558373 519821755 /nfs/dbraw/zinc/82/17/55/519821755.db2.gz QRNWBAVOBPWHRW-LBPRGKRZSA-N 0 0 266.797 4.606 10 0 CJAERN CC(C)[C@@H](Nc1ncccc1Cl)c1cccs1 ZINC000049558374 519799799 /nfs/dbraw/zinc/79/97/99/519799799.db2.gz QRNWBAVOBPWHRW-GFCCVEGCSA-N 0 0 266.797 4.606 10 0 CJAERN C[C@H](NCc1ccc(F)c(F)c1)c1ccc(F)cc1Cl ZINC000049577508 327289218 /nfs/dbraw/zinc/28/92/18/327289218.db2.gz IUEWTRQNOMGEEE-VIFPVBQESA-N 0 0 299.723 4.608 10 0 CJAERN C[C@@H](NCc1ccc(F)c(F)c1)c1ccc(F)cc1Cl ZINC000049577509 328372571 /nfs/dbraw/zinc/37/25/71/328372571.db2.gz IUEWTRQNOMGEEE-SECBINFHSA-N 0 0 299.723 4.608 10 0 CJAERN C[C@H](OCc1ccccc1Br)c1ccccc1 ZINC000049600991 525921054 /nfs/dbraw/zinc/92/10/54/525921054.db2.gz UPXDCSWICAXTDQ-LBPRGKRZSA-N 0 0 291.188 4.727 10 0 CJAERN C[C@@H](OCc1ccccc1Br)c1ccccc1 ZINC000049600992 525913858 /nfs/dbraw/zinc/91/38/58/525913858.db2.gz UPXDCSWICAXTDQ-GFCCVEGCSA-N 0 0 291.188 4.727 10 0 CJAERN C[C@H](OCc1ccc(Br)cc1)c1ccccc1 ZINC000049600993 525919037 /nfs/dbraw/zinc/91/90/37/525919037.db2.gz NOKFNKFRMLBGHI-LBPRGKRZSA-N 0 0 291.188 4.727 10 0 CJAERN C[C@@H](OCc1ccc(Br)cc1)c1ccccc1 ZINC000049600994 525911611 /nfs/dbraw/zinc/91/16/11/525911611.db2.gz NOKFNKFRMLBGHI-GFCCVEGCSA-N 0 0 291.188 4.727 10 0 CJAERN C[C@H](OCc1cccc(Br)c1)c1ccccc1 ZINC000049601001 525918735 /nfs/dbraw/zinc/91/87/35/525918735.db2.gz QHTADTDDZLQRBW-LBPRGKRZSA-N 0 0 291.188 4.727 10 0 CJAERN C[C@@H](OCc1cccc(Br)c1)c1ccccc1 ZINC000049601002 525912299 /nfs/dbraw/zinc/91/22/99/525912299.db2.gz QHTADTDDZLQRBW-GFCCVEGCSA-N 0 0 291.188 4.727 10 0 CJAERN Cc1ccc(CSc2c(N)cccc2Cl)cc1C ZINC000049668819 524648021 /nfs/dbraw/zinc/64/80/21/524648021.db2.gz TZBTVTNDYFZTRH-UHFFFAOYSA-N 0 0 277.820 4.831 10 0 CJAERN Cc1ccc(CSc2ccc(N)cc2Cl)cc1C ZINC000049668820 524648640 /nfs/dbraw/zinc/64/86/40/524648640.db2.gz GLQIYPMAGXPNEU-UHFFFAOYSA-N 0 0 277.820 4.831 10 0 CJAERN COc1ccc(Cl)cc1NCc1cc(C)sc1C ZINC000049684905 524243903 /nfs/dbraw/zinc/24/39/03/524243903.db2.gz WUNZHADRERXFKW-UHFFFAOYSA-N 0 0 281.808 4.639 10 0 CJAERN Cc1cc(CNc2ccc(F)c(Cl)c2)c(C)s1 ZINC000049685464 524787111 /nfs/dbraw/zinc/78/71/11/524787111.db2.gz PTIMRYSFKLHQMU-UHFFFAOYSA-N 0 0 269.772 4.770 10 0 CJAERN Cc1cc(CNc2ccc(Cl)c(F)c2)c(C)s1 ZINC000049686177 524787723 /nfs/dbraw/zinc/78/77/23/524787723.db2.gz ATKUXKWHCHBDPB-UHFFFAOYSA-N 0 0 269.772 4.770 10 0 CJAERN Cc1cccc(C)c1NCc1ccc(F)cc1Cl ZINC000049800037 524303343 /nfs/dbraw/zinc/30/33/43/524303343.db2.gz QAHUWGUUIYHUDU-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1cccc(C)c1NCc1ccccc1Br ZINC000049800044 524303470 /nfs/dbraw/zinc/30/34/70/524303470.db2.gz QHOYPOXIBLLQGJ-UHFFFAOYSA-N 0 0 290.204 4.678 10 0 CJAERN Cc1ccccc1Nc1ncnc2sc3ccccc3c21 ZINC000049803760 525277477 /nfs/dbraw/zinc/27/74/77/525277477.db2.gz KVCQUEAIOJAJIO-UHFFFAOYSA-N 0 0 291.379 4.897 10 0 CJAERN CC[C@@H](C)SCc1cc(Br)cs1 ZINC000049864557 175501762 /nfs/dbraw/zinc/50/17/62/175501762.db2.gz NJTVQBDWEKAGBF-SSDOTTSWSA-N 0 0 265.241 4.542 10 0 CJAERN O=C(CCc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000050038241 526606322 /nfs/dbraw/zinc/60/63/22/526606322.db2.gz GKQZHEMBSUXMQQ-UHFFFAOYSA-N 0 0 293.193 4.738 10 0 CJAERN O[C@H](CCc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000050038306 526270510 /nfs/dbraw/zinc/27/05/10/526270510.db2.gz APRVOFWAPKFKCX-CQSZACIVSA-N 0 0 295.209 4.530 10 0 CJAERN FC(F)(F)c1cccc(N[C@H]2CCCc3ccccc32)n1 ZINC000050165707 328387905 /nfs/dbraw/zinc/38/79/05/328387905.db2.gz XOJMYIBWHGBTKU-ZDUSSCGKSA-N 0 0 292.304 4.590 10 0 CJAERN FC(F)(F)c1cccc(N[C@@H]2CCCc3ccccc32)n1 ZINC000050165710 328387925 /nfs/dbraw/zinc/38/79/25/328387925.db2.gz XOJMYIBWHGBTKU-CYBMUJFWSA-N 0 0 292.304 4.590 10 0 CJAERN CC[C@H](Nc1nc2ccccc2nc1C)c1ccccc1 ZINC000050197610 328391206 /nfs/dbraw/zinc/39/12/06/328391206.db2.gz HMFRDXSDKDEJJN-HNNXBMFYSA-N 0 0 277.371 4.501 10 0 CJAERN CC[C@@H](Nc1nc2ccccc2nc1C)c1ccccc1 ZINC000050197612 328391294 /nfs/dbraw/zinc/39/12/94/328391294.db2.gz HMFRDXSDKDEJJN-OAHLLOKOSA-N 0 0 277.371 4.501 10 0 CJAERN CC[C@H](Nc1nc2ccccc2s1)c1ccccc1 ZINC000050197670 328391193 /nfs/dbraw/zinc/39/11/93/328391193.db2.gz XMNFIAWBCMBYKE-ZDUSSCGKSA-N 0 0 268.385 4.860 10 0 CJAERN CC[C@@H](Nc1nc2ccccc2s1)c1ccccc1 ZINC000050197672 328391236 /nfs/dbraw/zinc/39/12/36/328391236.db2.gz XMNFIAWBCMBYKE-CYBMUJFWSA-N 0 0 268.385 4.860 10 0 CJAERN CC[C@H](Nc1ncnc2sc(C)c(C)c21)c1ccccc1 ZINC000050197681 328391300 /nfs/dbraw/zinc/39/13/00/328391300.db2.gz SJGAFCPRWVNVAQ-AWEZNQCLSA-N 0 0 297.427 4.871 10 0 CJAERN CC[C@@H](Nc1ncnc2sc(C)c(C)c21)c1ccccc1 ZINC000050197683 328391273 /nfs/dbraw/zinc/39/12/73/328391273.db2.gz SJGAFCPRWVNVAQ-CQSZACIVSA-N 0 0 297.427 4.871 10 0 CJAERN CC[C@H](Nc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000050197684 328391280 /nfs/dbraw/zinc/39/12/80/328391280.db2.gz YDMYCLZENHBPKZ-ZDUSSCGKSA-N 0 0 280.293 4.664 10 0 CJAERN CC[C@@H](Nc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000050197686 328391274 /nfs/dbraw/zinc/39/12/74/328391274.db2.gz YDMYCLZENHBPKZ-CYBMUJFWSA-N 0 0 280.293 4.664 10 0 CJAERN CC[C@H](Nc1ccc2ccccc2n1)c1ccccc1 ZINC000050197702 328391270 /nfs/dbraw/zinc/39/12/70/328391270.db2.gz PGTZMAMQRBZSIZ-INIZCTEOSA-N 0 0 262.356 4.798 10 0 CJAERN CC[C@@H](Nc1ccc2ccccc2n1)c1ccccc1 ZINC000050197703 328391251 /nfs/dbraw/zinc/39/12/51/328391251.db2.gz PGTZMAMQRBZSIZ-MRXNPFEDSA-N 0 0 262.356 4.798 10 0 CJAERN Cc1ccc(Cn2c(=S)[nH]c3cccc(Cl)c32)s1 ZINC000050225719 524766987 /nfs/dbraw/zinc/76/69/87/524766987.db2.gz MZEHCFDTGJNFFM-UHFFFAOYSA-N 0 0 294.832 4.771 10 0 CJAERN Nc1nc(C2CC2)c(Cc2cccc(Cl)c2Cl)s1 ZINC000050266550 527547371 /nfs/dbraw/zinc/54/73/71/527547371.db2.gz SFHDNNALTFNMGV-UHFFFAOYSA-N 0 0 299.226 4.500 10 0 CJAERN Cc1cc(-c2nc3c(s2)C(=O)CC(C)(C)C3)c(C)s1 ZINC000050331046 526055169 /nfs/dbraw/zinc/05/51/69/526055169.db2.gz DCJKAOLXKXOIAB-UHFFFAOYSA-N 0 0 291.441 4.644 10 0 CJAERN C[C@H](Nc1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000050337817 328397514 /nfs/dbraw/zinc/39/75/14/328397514.db2.gz NERCIDVKIOKRHV-VIFPVBQESA-N 0 0 271.307 4.940 10 0 CJAERN C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000050337820 328397435 /nfs/dbraw/zinc/39/74/35/328397435.db2.gz NERCIDVKIOKRHV-SECBINFHSA-N 0 0 271.307 4.940 10 0 CJAERN C[C@@H](Nc1ccccc1OC(F)(F)F)c1ccsc1 ZINC000050337897 525721900 /nfs/dbraw/zinc/72/19/00/525721900.db2.gz KVVRLQIHIIDABZ-SECBINFHSA-N 0 0 287.306 4.820 10 0 CJAERN Nc1ccccc1-c1csc(-c2ccccc2Cl)n1 ZINC000050438873 527523706 /nfs/dbraw/zinc/52/37/06/527523706.db2.gz ONMGQNNQQCZXOG-UHFFFAOYSA-N 0 0 286.787 4.713 10 0 CJAERN Nc1cc(Cl)ccc1CSc1ccc(Cl)cc1 ZINC000050443721 527451646 /nfs/dbraw/zinc/45/16/46/527451646.db2.gz GFZGPSLBERZWOV-UHFFFAOYSA-N 0 0 284.211 4.868 10 0 CJAERN Cc1ccc(SCc2ccc(Cl)cc2N)cc1 ZINC000050443736 525664044 /nfs/dbraw/zinc/66/40/44/525664044.db2.gz RAKBFAAIZMKKOL-UHFFFAOYSA-N 0 0 263.793 4.523 10 0 CJAERN Cc1ccc(SCc2ccc(Cl)cc2N)c(C)c1 ZINC000050443745 525661887 /nfs/dbraw/zinc/66/18/87/525661887.db2.gz JFFNUTVSSDVFCL-UHFFFAOYSA-N 0 0 277.820 4.831 10 0 CJAERN Cc1ccc(SCc2ccc(Cl)cc2N)cc1C ZINC000050443777 525661726 /nfs/dbraw/zinc/66/17/26/525661726.db2.gz FMTVYZBKFXWTMR-UHFFFAOYSA-N 0 0 277.820 4.831 10 0 CJAERN Cc1ccccc1SCc1ccc(Cl)cc1N ZINC000050443895 525339774 /nfs/dbraw/zinc/33/97/74/525339774.db2.gz ORDGUVLTNMWWSY-UHFFFAOYSA-N 0 0 263.793 4.523 10 0 CJAERN Clc1ccccc1Oc1nnc(Cl)c2ccccc21 ZINC000050528717 526992670 /nfs/dbraw/zinc/99/26/70/526992670.db2.gz HUPATHXBFCJUNW-UHFFFAOYSA-N 0 0 291.137 4.729 10 0 CJAERN C[C@H](Nc1nnc(Cl)c2ccccc12)c1cccs1 ZINC000050529410 525688471 /nfs/dbraw/zinc/68/84/71/525688471.db2.gz PKVJVDRFAXICJY-VIFPVBQESA-N 0 0 289.791 4.518 10 0 CJAERN C[C@@H](Nc1nnc(Cl)c2ccccc12)c1cccs1 ZINC000050529414 525734641 /nfs/dbraw/zinc/73/46/41/525734641.db2.gz PKVJVDRFAXICJY-SECBINFHSA-N 0 0 289.791 4.518 10 0 CJAERN Fc1ccc(Sc2nnc(Cl)c3ccccc32)cc1 ZINC000050530691 526361641 /nfs/dbraw/zinc/36/16/41/526361641.db2.gz YXDWVYMTMOBREB-UHFFFAOYSA-N 0 0 290.750 4.574 10 0 CJAERN Cc1ccccc1Sc1nnc(Cl)c2ccccc21 ZINC000050530745 525342404 /nfs/dbraw/zinc/34/24/04/525342404.db2.gz WFXXETMUIKPEMR-UHFFFAOYSA-N 0 0 286.787 4.743 10 0 CJAERN Cc1cccc(Sc2nnc(Cl)c3ccccc32)c1 ZINC000050530761 524812048 /nfs/dbraw/zinc/81/20/48/524812048.db2.gz QIXXGGJDBZWWJF-UHFFFAOYSA-N 0 0 286.787 4.743 10 0 CJAERN Cc1cc(CNc2cccc3ccccc32)ccc1F ZINC000050544493 524790672 /nfs/dbraw/zinc/79/06/72/524790672.db2.gz SPLMOBGZGJSYAF-UHFFFAOYSA-N 0 0 265.331 4.899 10 0 CJAERN Cc1cc(CNc2ccc(Br)cc2)ccc1F ZINC000050544620 524787411 /nfs/dbraw/zinc/78/74/11/524787411.db2.gz YUYAICCMGDPJAV-UHFFFAOYSA-N 0 0 294.167 4.509 10 0 CJAERN Cc1cc(CNc2ccc(F)c(Cl)c2)ccc1F ZINC000050544855 524787233 /nfs/dbraw/zinc/78/72/33/524787233.db2.gz FONIRAOZCCPBOX-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1cc(CNc2cccc(Cl)c2F)ccc1F ZINC000050544870 524790691 /nfs/dbraw/zinc/79/06/91/524790691.db2.gz IJKRNDGNHUHUGK-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1cc(CNc2ccc(F)cc2Cl)ccc1F ZINC000050544905 524788491 /nfs/dbraw/zinc/78/84/91/524788491.db2.gz QGNOSQUZTXYJQI-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1cc(CNc2cc(Cl)ccc2F)ccc1F ZINC000050545001 524785651 /nfs/dbraw/zinc/78/56/51/524785651.db2.gz KKDMAYKZWKKYFM-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1cc(CNc2ccc3ccccc3c2)ccc1F ZINC000050545207 524790510 /nfs/dbraw/zinc/79/05/10/524790510.db2.gz VLZYOQZYSCEPCR-UHFFFAOYSA-N 0 0 265.331 4.899 10 0 CJAERN Cc1cc(CNc2ccc(Cl)cc2F)ccc1F ZINC000050545326 524787348 /nfs/dbraw/zinc/78/73/48/524787348.db2.gz FRHBXQMSZHOZRX-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1cc(CNc2ccc(Cl)c(F)c2)ccc1F ZINC000050545349 524787169 /nfs/dbraw/zinc/78/71/69/524787169.db2.gz QDTXQSDGAPSZLH-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1cc(F)ccc1CNc1cccc2ccccc21 ZINC000050569021 524980411 /nfs/dbraw/zinc/98/04/11/524980411.db2.gz NEPQKOLMVYDSPZ-UHFFFAOYSA-N 0 0 265.331 4.899 10 0 CJAERN Cc1cc(F)ccc1CNc1ccc(Br)cc1 ZINC000050569087 524980837 /nfs/dbraw/zinc/98/08/37/524980837.db2.gz PRXNRUQAHBALPC-UHFFFAOYSA-N 0 0 294.167 4.509 10 0 CJAERN Cc1cc(F)ccc1CNc1ccc(F)c(Cl)c1 ZINC000050569270 524980441 /nfs/dbraw/zinc/98/04/41/524980441.db2.gz CMALCFULIQNLTI-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1cc(F)ccc1CNc1ccc(F)cc1Cl ZINC000050569279 524979179 /nfs/dbraw/zinc/97/91/79/524979179.db2.gz XPDCCFAXHDJTTR-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1cc(F)ccc1CNc1cc(Cl)ccc1F ZINC000050569306 524980285 /nfs/dbraw/zinc/98/02/85/524980285.db2.gz PGTVDNOLMQGYQB-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1cc(F)ccc1CNc1ccc2ccccc2c1 ZINC000050569454 524980137 /nfs/dbraw/zinc/98/01/37/524980137.db2.gz AXJULRUKVNHCKR-UHFFFAOYSA-N 0 0 265.331 4.899 10 0 CJAERN Cc1cc(F)ccc1CNc1ccc(Cl)cc1F ZINC000050575549 524980460 /nfs/dbraw/zinc/98/04/60/524980460.db2.gz LGOWZFXAAXBBEH-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1cc(F)ccc1CNc1ccc(Cl)c(F)c1 ZINC000050575685 524980425 /nfs/dbraw/zinc/98/04/25/524980425.db2.gz VBMJCYOUTGKHFR-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1cc(Oc2ccc(Cl)cc2Cl)ccc1CO ZINC000050583958 525385511 /nfs/dbraw/zinc/38/55/11/525385511.db2.gz BWGIUTWWNLCKJG-UHFFFAOYSA-N 0 0 283.154 4.586 10 0 CJAERN Clc1cccc(Cc2nc3sccc3c(Cl)n2)c1 ZINC000050790812 526977311 /nfs/dbraw/zinc/97/73/11/526977311.db2.gz WGRKXADQMJXYJQ-UHFFFAOYSA-N 0 0 295.194 4.589 10 0 CJAERN CCc1ccc(-c2nc3sccc3c(Cl)n2)cc1 ZINC000050790842 523861270 /nfs/dbraw/zinc/86/12/70/523861270.db2.gz AKLOQNGYSIBTFH-UHFFFAOYSA-N 0 0 274.776 4.574 10 0 CJAERN C[C@@H]1CCC[C@H](c2nc3sccc3c(Cl)n2)C1 ZINC000050790879 524412981 /nfs/dbraw/zinc/41/29/81/524412981.db2.gz ITJQCDFKIYCEMY-BDAKNGLRSA-N 0 0 266.797 4.638 10 0 CJAERN C[C@H]1CCC[C@H](c2nc3sccc3c(Cl)n2)C1 ZINC000050790880 524211818 /nfs/dbraw/zinc/21/18/18/524211818.db2.gz ITJQCDFKIYCEMY-IUCAKERBSA-N 0 0 266.797 4.638 10 0 CJAERN C[C@@H]1CCC[C@@H](c2nc3sccc3c(Cl)n2)C1 ZINC000050790881 524320494 /nfs/dbraw/zinc/32/04/94/524320494.db2.gz ITJQCDFKIYCEMY-RKDXNWHRSA-N 0 0 266.797 4.638 10 0 CJAERN C[C@H]1CCC[C@@H](c2nc3sccc3c(Cl)n2)C1 ZINC000050790882 524153817 /nfs/dbraw/zinc/15/38/17/524153817.db2.gz ITJQCDFKIYCEMY-DTWKUNHWSA-N 0 0 266.797 4.638 10 0 CJAERN CC1CCC(c2nc3sccc3c(Cl)n2)CC1 ZINC000050790914 520962305 /nfs/dbraw/zinc/96/23/05/520962305.db2.gz FULSIQLHVHJQGX-UHFFFAOYSA-N 0 0 266.797 4.638 10 0 CJAERN Cc1cccnc1N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000051040829 525543458 /nfs/dbraw/zinc/54/34/58/525543458.db2.gz SOCSUFRHAMQESB-JTQLQIEISA-N 0 0 281.186 4.870 10 0 CJAERN Cc1cccnc1N[C@H](C)c1ccc(Cl)cc1Cl ZINC000051040830 525545027 /nfs/dbraw/zinc/54/50/27/525545027.db2.gz SOCSUFRHAMQESB-SNVBAGLBSA-N 0 0 281.186 4.870 10 0 CJAERN CCCCc1ccc([C@@H](O)c2ccc(Cl)s2)cc1 ZINC000051172894 521288580 /nfs/dbraw/zinc/28/85/80/521288580.db2.gz MTAPOPWYQMIEDS-OAHLLOKOSA-N 0 0 280.820 4.826 10 0 CJAERN O[C@H](c1ccc(Cl)s1)c1cc(Cl)sc1Cl ZINC000051172961 526299282 /nfs/dbraw/zinc/29/92/82/526299282.db2.gz QVHQCCVSEQHSCA-QMMMGPOBSA-N 0 0 299.631 4.852 10 0 CJAERN Oc1ccc(Sc2ccccc2C(F)(F)F)cc1 ZINC000051692427 526352833 /nfs/dbraw/zinc/35/28/33/526352833.db2.gz JKLHHLTZTBNQTM-UHFFFAOYSA-N 0 0 270.275 4.562 10 0 CJAERN Clc1cccnc1NCc1cccc2ccccc21 ZINC000052062421 526991937 /nfs/dbraw/zinc/99/19/37/526991937.db2.gz PJYVTBJCWIIRII-UHFFFAOYSA-N 0 0 268.747 4.500 10 0 CJAERN Clc1nc2cc(-c3ccccc3)cc(Cl)c2o1 ZINC000052066160 527007632 /nfs/dbraw/zinc/00/76/32/527007632.db2.gz JJJWZZOMNBXNCQ-UHFFFAOYSA-N 0 0 264.111 4.802 10 0 CJAERN Nc1ccc(F)cc1Oc1ccc(Cl)c(Cl)c1 ZINC000052122316 527489628 /nfs/dbraw/zinc/48/96/28/527489628.db2.gz QHKQFUYLZZXLQK-UHFFFAOYSA-N 0 0 272.106 4.507 10 0 CJAERN c1cc(SC2CCCC2)ccc1NCC1CCOCC1 ZINC000052177962 328640359 /nfs/dbraw/zinc/64/03/59/328640359.db2.gz JHPTVRGHNHDVQI-UHFFFAOYSA-N 0 0 291.460 4.560 10 0 CJAERN CCc1ccccc1CNc1ccc(OC)c(Cl)c1 ZINC000052200077 521846420 /nfs/dbraw/zinc/84/64/20/521846420.db2.gz CYKXHXLPXNKIDY-UHFFFAOYSA-N 0 0 275.779 4.523 10 0 CJAERN CCc1ccccc1CNc1ccc(SC)cc1 ZINC000052200105 521844863 /nfs/dbraw/zinc/84/48/63/521844863.db2.gz BTURATZLTYMZTC-UHFFFAOYSA-N 0 0 257.402 4.583 10 0 CJAERN Cc1ccc(C(C)C)c(OCc2ccnc(Cl)c2)c1 ZINC000052722751 526248794 /nfs/dbraw/zinc/24/87/94/526248794.db2.gz DHROWPDMEFGGCH-UHFFFAOYSA-N 0 0 275.779 4.746 10 0 CJAERN CC[C@@H](C)c1ccccc1OCc1cccnc1Cl ZINC000052723340 522440025 /nfs/dbraw/zinc/44/00/25/522440025.db2.gz ZFUJMVKYDZQATI-GFCCVEGCSA-N 0 0 275.779 4.828 10 0 CJAERN CC[C@H](C)c1ccccc1OCc1cccnc1Cl ZINC000052723343 522049483 /nfs/dbraw/zinc/04/94/83/522049483.db2.gz ZFUJMVKYDZQATI-LBPRGKRZSA-N 0 0 275.779 4.828 10 0 CJAERN CCCNc1ncccc1CSc1ccc(C)cc1 ZINC000052755946 520196511 /nfs/dbraw/zinc/19/65/11/520196511.db2.gz ADLHMSSIVHKSOK-UHFFFAOYSA-N 0 0 272.417 4.504 10 0 CJAERN CNc1cc(CSc2cc(Cl)ccc2Cl)ccn1 ZINC000052755961 522566988 /nfs/dbraw/zinc/56/69/88/522566988.db2.gz PRXCGMKUDGLHTO-UHFFFAOYSA-N 0 0 299.226 4.722 10 0 CJAERN CNc1cc(CSc2ccc(C(C)C)cc2)ccn1 ZINC000052755994 522568603 /nfs/dbraw/zinc/56/86/03/522568603.db2.gz FYCYICMFLSIZIQ-UHFFFAOYSA-N 0 0 272.417 4.539 10 0 CJAERN Fc1ccc(Sc2nc(Cl)nc3ccccc32)cc1 ZINC000052811958 526361592 /nfs/dbraw/zinc/36/15/92/526361592.db2.gz MWMIIXDSRGXBPF-UHFFFAOYSA-N 0 0 290.750 4.574 10 0 CJAERN Cc1cc(Oc2ccccc2C(C)(C)C)nc(Cl)n1 ZINC000052813935 525386139 /nfs/dbraw/zinc/38/61/39/525386139.db2.gz NCWIMPUWAZSEKQ-UHFFFAOYSA-N 0 0 276.767 4.528 10 0 CJAERN Cc1ccc(C(C)C)c(Oc2cc(C)nc(Cl)n2)c1 ZINC000052813948 526249651 /nfs/dbraw/zinc/24/96/51/526249651.db2.gz BLPHIPJFZMCAFD-UHFFFAOYSA-N 0 0 276.767 4.663 10 0 CJAERN Cc1cc(Oc2cccc(C(C)(C)C)c2)nc(Cl)n1 ZINC000052813997 525387539 /nfs/dbraw/zinc/38/75/39/525387539.db2.gz QMWCDSMCECAPFJ-UHFFFAOYSA-N 0 0 276.767 4.528 10 0 CJAERN Cc1cc(Oc2ccc(Cl)c(Cl)c2)nc(Cl)n1 ZINC000052814007 525384075 /nfs/dbraw/zinc/38/40/75/525384075.db2.gz JYGMPRIOLABIQA-UHFFFAOYSA-N 0 0 289.549 4.538 10 0 CJAERN Cc1nc(Cl)cc(Oc2c(C)cc(Cl)cc2C)n1 ZINC000052835052 526935615 /nfs/dbraw/zinc/93/56/15/526935615.db2.gz NWYYSJNBAQENPM-UHFFFAOYSA-N 0 0 283.158 4.501 10 0 CJAERN Cc1nc(Cl)cc(Oc2ccc(C(C)(C)C)cc2)n1 ZINC000052835095 526935540 /nfs/dbraw/zinc/93/55/40/526935540.db2.gz XHZYLUZGIFFGLU-UHFFFAOYSA-N 0 0 276.767 4.528 10 0 CJAERN CC[C@@H](C)c1ccccc1Oc1cc(Cl)nc(C)n1 ZINC000052835166 522439395 /nfs/dbraw/zinc/43/93/95/522439395.db2.gz CCIONMUBWCCMTM-SNVBAGLBSA-N 0 0 276.767 4.744 10 0 CJAERN CC[C@H](C)c1ccccc1Oc1cc(Cl)nc(C)n1 ZINC000052835168 522049203 /nfs/dbraw/zinc/04/92/03/522049203.db2.gz CCIONMUBWCCMTM-JTQLQIEISA-N 0 0 276.767 4.744 10 0 CJAERN Cc1nc(Cl)cc(Oc2cccc(Cl)c2Cl)n1 ZINC000052835181 526936186 /nfs/dbraw/zinc/93/61/86/526936186.db2.gz MGLURBXFZDVNQE-UHFFFAOYSA-N 0 0 289.549 4.538 10 0 CJAERN Clc1ccc(-c2ccc3c(c2)CCN3)c(Cl)c1 ZINC000052898473 526933103 /nfs/dbraw/zinc/93/31/03/526933103.db2.gz JVFSSSREBSLCML-UHFFFAOYSA-N 0 0 264.155 4.628 10 0 CJAERN CC(C)(C)CC(C)(C)Nc1cccc(Cl)c1C(N)=S ZINC000052907389 518628824 /nfs/dbraw/zinc/62/88/24/518628824.db2.gz NKZKZUAGIGDWIM-UHFFFAOYSA-N 0 0 298.883 4.601 10 0 CJAERN C[C@H](O)c1ccc(-c2ccc(Cl)cc2C(F)(F)F)o1 ZINC000052924755 525852034 /nfs/dbraw/zinc/85/20/34/525852034.db2.gz FLNKEXOTKGOEEV-ZETCQYMHSA-N 0 0 290.668 4.672 10 0 CJAERN C[C@@H](O)c1ccc(-c2ccc(Cl)cc2C(F)(F)F)o1 ZINC000052924756 525864237 /nfs/dbraw/zinc/86/42/37/525864237.db2.gz FLNKEXOTKGOEEV-SSDOTTSWSA-N 0 0 290.668 4.672 10 0 CJAERN O=C(Cc1cccc(Cl)c1)c1ccc(Cl)cc1F ZINC000052944801 527262163 /nfs/dbraw/zinc/26/21/63/527262163.db2.gz HFZXSBZOHFOEMT-UHFFFAOYSA-N 0 0 283.129 4.558 10 0 CJAERN O=C(Cc1cccc(Cl)c1)c1cc2ccccc2o1 ZINC000052944813 527262413 /nfs/dbraw/zinc/26/24/13/527262413.db2.gz CNVJVPLWVNYTNM-UHFFFAOYSA-N 0 0 270.715 4.512 10 0 CJAERN Cc1ccc(F)c(C(=O)c2csc3ccccc23)c1 ZINC000052981434 524801916 /nfs/dbraw/zinc/80/19/16/524801916.db2.gz RNPQIZIMKZUAFO-UHFFFAOYSA-N 0 0 270.328 4.580 10 0 CJAERN Cc1ccc(F)c(C(=O)c2cc(Cl)ccc2Cl)c1 ZINC000052981495 524801171 /nfs/dbraw/zinc/80/11/71/524801171.db2.gz DQNUWSBFCIREGQ-UHFFFAOYSA-N 0 0 283.129 4.672 10 0 CJAERN Cc1ccc(F)c([C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000052999069 524835632 /nfs/dbraw/zinc/83/56/32/524835632.db2.gz WYHYUWKVIWQJRZ-CQSZACIVSA-N 0 0 285.145 4.523 10 0 CJAERN Cc1ccc(F)c([C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000052999071 524834789 /nfs/dbraw/zinc/83/47/89/524834789.db2.gz WYHYUWKVIWQJRZ-AWEZNQCLSA-N 0 0 285.145 4.523 10 0 CJAERN Cc1cc(C)cc(NC2=NC3(CS2)CCCCC3)c1 ZINC000053097721 524436665 /nfs/dbraw/zinc/43/66/65/524436665.db2.gz WBTMNYUHHQSIKH-UHFFFAOYSA-N 0 0 274.433 4.521 10 0 CJAERN Cc1ccc(CC(=O)c2c(F)cccc2Cl)cc1C ZINC000053138870 518188589 /nfs/dbraw/zinc/18/85/89/518188589.db2.gz CVOKIPNBKDOYQS-UHFFFAOYSA-N 0 0 276.738 4.521 10 0 CJAERN CCC[C@H](Nc1c(N)ccc(F)c1F)c1cccs1 ZINC000053166715 521177242 /nfs/dbraw/zinc/17/72/42/521177242.db2.gz XPWNRCCFKVIYSN-NSHDSACASA-N 0 0 282.359 4.562 10 0 CJAERN CCC[C@@H](Nc1c(N)ccc(F)c1F)c1cccs1 ZINC000053166719 520794818 /nfs/dbraw/zinc/79/48/18/520794818.db2.gz XPWNRCCFKVIYSN-LLVKDONJSA-N 0 0 282.359 4.562 10 0 CJAERN CC(C)C[C@H](C)n1c2c(ccc(F)c2F)[nH]c1=S ZINC000053168811 519328921 /nfs/dbraw/zinc/32/89/21/519328921.db2.gz RJYIQGUGANKURA-QMMMGPOBSA-N 0 0 270.348 4.584 10 0 CJAERN C[C@@H](c1cccs1)n1c(=S)[nH]c2ccc(F)c(F)c21 ZINC000053168850 526149648 /nfs/dbraw/zinc/14/96/48/526149648.db2.gz HGFMCKPRQQBWFS-ZETCQYMHSA-N 0 0 296.367 4.648 10 0 CJAERN Cc1ccc(S[C@H](C)CNc2ccccc2)cc1 ZINC000053605116 525668724 /nfs/dbraw/zinc/66/87/24/525668724.db2.gz AAPRLECSQBWDRX-CQSZACIVSA-N 0 0 257.402 4.588 10 0 CJAERN Cc1ccc(N)cc1Sc1ccc2ccccc2c1 ZINC000053735705 524912593 /nfs/dbraw/zinc/91/25/93/524912593.db2.gz PPWOQFCQGDZGMI-UHFFFAOYSA-N 0 0 265.381 4.882 10 0 CJAERN CCC[C@H](C)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000053782250 521026026 /nfs/dbraw/zinc/02/60/26/521026026.db2.gz MDPCGVYKFAWRJH-GWCFXTLKSA-N 0 0 260.299 4.565 10 0 CJAERN CC(C)c1ccc([C@@H](O)Cc2ccc(Cl)s2)cc1 ZINC000053782322 519839369 /nfs/dbraw/zinc/83/93/69/519839369.db2.gz UYGHOARBSZBQRO-AWEZNQCLSA-N 0 0 280.820 4.801 10 0 CJAERN Cc1ccc(Oc2ccc(C=O)c(Cl)c2)cc1C ZINC000053994396 525474328 /nfs/dbraw/zinc/47/43/28/525474328.db2.gz KHZHOTZDYVSAIY-UHFFFAOYSA-N 0 0 260.720 4.562 10 0 CJAERN CC[C@H](Nc1cc(Cl)ccc1F)c1ccco1 ZINC000054083915 522764903 /nfs/dbraw/zinc/76/49/03/522764903.db2.gz DVMCCQVITIWODA-NSHDSACASA-N 0 0 253.704 4.635 10 0 CJAERN CC[C@H](Nc1cc(Cl)ccc1N(C)C)c1ccco1 ZINC000054105665 522764638 /nfs/dbraw/zinc/76/46/38/522764638.db2.gz BNLIVGCIISNZLX-LBPRGKRZSA-N 0 0 278.783 4.562 10 0 CJAERN CCOc1ccc(N[C@@H](CC)c2ccco2)c(C)c1 ZINC000054106203 521136332 /nfs/dbraw/zinc/13/63/32/521136332.db2.gz MMODYZYLVQVXQY-AWEZNQCLSA-N 0 0 259.349 4.550 10 0 CJAERN CCC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000054106842 521239227 /nfs/dbraw/zinc/23/92/27/521239227.db2.gz MRYCYCDAPDRBNU-UHFFFAOYSA-N 0 0 269.127 4.846 10 0 CJAERN CCC(=O)c1ccc(-c2ccc(C)cc2Br)o1 ZINC000054106847 521238586 /nfs/dbraw/zinc/23/85/86/521238586.db2.gz XHPFDTXQHOWYHF-UHFFFAOYSA-N 0 0 293.160 4.610 10 0 CJAERN CC[C@H](O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000054107494 522828142 /nfs/dbraw/zinc/82/81/42/522828142.db2.gz UPEYQHHLWGXWEJ-NSHDSACASA-N 0 0 271.143 4.697 10 0 CJAERN CC[C@@H](O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000054107515 523011902 /nfs/dbraw/zinc/01/19/02/523011902.db2.gz NJCJIURCPUCOLO-LLVKDONJSA-N 0 0 271.143 4.697 10 0 CJAERN Cc1ccccc1Nc1ccnc2c(F)cc(F)cc12 ZINC000054202454 525274178 /nfs/dbraw/zinc/27/41/78/525274178.db2.gz QEWQPQWYWXTXNN-UHFFFAOYSA-N 0 0 270.282 4.565 10 0 CJAERN Fc1cc(F)c2nccc(Nc3ccc(Cl)cc3)c2c1 ZINC000054202491 526305788 /nfs/dbraw/zinc/30/57/88/526305788.db2.gz OCWSEPBBSVVKHP-UHFFFAOYSA-N 0 0 290.700 4.910 10 0 CJAERN Cc1ccc(Oc2ccc([C@H](C)O)cc2F)c(Cl)c1 ZINC000054351740 525476150 /nfs/dbraw/zinc/47/61/50/525476150.db2.gz JQTHJJWDTBCXGF-JTQLQIEISA-N 0 0 280.726 4.633 10 0 CJAERN Cc1ccc(Oc2ncccc2Br)c(Cl)c1 ZINC000054352452 525478030 /nfs/dbraw/zinc/47/80/30/525478030.db2.gz HPNGYUGZCADNIR-UHFFFAOYSA-N 0 0 298.567 4.598 10 0 CJAERN Cc1ccc(O[C@@H](C)CNc2ccccc2)c(Cl)c1 ZINC000054369083 525462370 /nfs/dbraw/zinc/46/23/70/525462370.db2.gz YXFOHABHVWCTSN-ZDUSSCGKSA-N 0 0 275.779 4.528 10 0 CJAERN O[C@H](c1cccc(Cl)c1)c1ccc2ccccc2c1 ZINC000054439909 526300905 /nfs/dbraw/zinc/30/09/05/526300905.db2.gz NLDNMUCYGPYVIZ-QGZVFWFLSA-N 0 0 268.743 4.575 10 0 CJAERN O[C@@H](c1cccc(Cl)c1)c1ccc2ccccc2c1 ZINC000054439913 527666814 /nfs/dbraw/zinc/66/68/14/527666814.db2.gz NLDNMUCYGPYVIZ-KRWDZBQOSA-N 0 0 268.743 4.575 10 0 CJAERN Fc1ccc(F)c(NCc2csc3ccccc23)c1 ZINC000054462592 526350505 /nfs/dbraw/zinc/35/05/05/526350505.db2.gz REEIVEKECHQNTG-UHFFFAOYSA-N 0 0 275.323 4.792 10 0 CJAERN Fc1ccccc1NCc1csc2ccccc12 ZINC000054462616 526414413 /nfs/dbraw/zinc/41/44/13/526414413.db2.gz JERVNYPQCPMFSQ-UHFFFAOYSA-N 0 0 257.333 4.653 10 0 CJAERN O=C1CCCc2nc(-c3csc4ccccc34)sc21 ZINC000054462932 526986044 /nfs/dbraw/zinc/98/60/44/526986044.db2.gz AWEDAGZFDMZFTM-UHFFFAOYSA-N 0 0 285.393 4.544 10 0 CJAERN Cc1c2cc(Cl)ccc2oc1C(=O)C(C)(C)C ZINC000054614591 175562403 /nfs/dbraw/zinc/56/24/03/175562403.db2.gz INFLKGXKGVFASN-UHFFFAOYSA-N 0 0 250.725 4.623 10 0 CJAERN CC(C)[C@@H]1CCC(=O)[C@H](Cc2ccc(Cl)s2)C1 ZINC000054629931 519801860 /nfs/dbraw/zinc/80/18/60/519801860.db2.gz CDNDJKVIWGZSMP-MNOVXSKESA-N 0 0 270.825 4.585 10 0 CJAERN CC(C)[C@H]1CCC(=O)[C@H](Cc2ccc(Cl)s2)C1 ZINC000054629933 519824532 /nfs/dbraw/zinc/82/45/32/519824532.db2.gz CDNDJKVIWGZSMP-QWRGUYRKSA-N 0 0 270.825 4.585 10 0 CJAERN CC(C)[C@@H]1CCC(=O)[C@@H](Cc2ccc(Cl)s2)C1 ZINC000054629935 519801892 /nfs/dbraw/zinc/80/18/92/519801892.db2.gz CDNDJKVIWGZSMP-GHMZBOCLSA-N 0 0 270.825 4.585 10 0 CJAERN CC(C)[C@H]1CCC(=O)[C@@H](Cc2ccc(Cl)s2)C1 ZINC000054629937 519824506 /nfs/dbraw/zinc/82/45/06/519824506.db2.gz CDNDJKVIWGZSMP-WDEREUQCSA-N 0 0 270.825 4.585 10 0 CJAERN Cc1cc2sc3nc(-c4ccccc4)cn3c2cc1C ZINC000054643868 525702113 /nfs/dbraw/zinc/70/21/13/525702113.db2.gz XAXYBVVTODKSJZ-UHFFFAOYSA-N 0 0 278.380 4.833 10 0 CJAERN CCCCCCNC(=O)c1oc2ccc(CC)cc2c1C ZINC000054644711 520092964 /nfs/dbraw/zinc/09/29/64/520092964.db2.gz TYZBCBHIYYWWHG-UHFFFAOYSA-N 0 0 287.403 4.614 10 0 CJAERN CCc1ccc2oc(C(=O)NC3CCCCCC3)c(C)c2c1 ZINC000054644720 524061262 /nfs/dbraw/zinc/06/12/62/524061262.db2.gz AESMVWDVQHJIDK-UHFFFAOYSA-N 0 0 299.414 4.756 10 0 CJAERN CCc1ccc2oc(C(=O)Nc3cccc(F)c3)c(C)c2c1 ZINC000054644793 524061627 /nfs/dbraw/zinc/06/16/27/524061627.db2.gz ZDJSZGYBEXWFLU-UHFFFAOYSA-N 0 0 297.329 4.695 10 0 CJAERN O=C(c1ccccc1Cl)[C@H]1CCCc2ccccc21 ZINC000054669161 526803867 /nfs/dbraw/zinc/80/38/67/526803867.db2.gz JQTLJSOTTMVCAH-AWEZNQCLSA-N 0 0 270.759 4.643 10 0 CJAERN O=C(c1ccccc1Cl)[C@@H]1CCCc2ccccc21 ZINC000054669162 526804483 /nfs/dbraw/zinc/80/44/83/526804483.db2.gz JQTLJSOTTMVCAH-CQSZACIVSA-N 0 0 270.759 4.643 10 0 CJAERN O=[N+]([O-])/C(=C/c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000054684850 527318722 /nfs/dbraw/zinc/31/87/22/527318722.db2.gz UOWSLFABPIQZKF-NTEUORMPSA-N 0 0 294.137 4.768 10 0 CJAERN O=[N+]([O-])/C(=C/c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000054685037 527319003 /nfs/dbraw/zinc/31/90/03/527319003.db2.gz GOZPWVPEVBZDRC-RIYZIHGNSA-N 0 0 294.137 4.768 10 0 CJAERN C[C@H]1CCC[C@H](SCCC(=O)c2ccc(F)cc2)C1 ZINC000054693084 524209614 /nfs/dbraw/zinc/20/96/14/524209614.db2.gz FGGGBLGMWLCURZ-WFASDCNBSA-N 0 0 280.408 4.710 10 0 CJAERN C[C@@H]1CCC[C@@H](SCCC(=O)c2ccc(F)cc2)C1 ZINC000054693087 524320766 /nfs/dbraw/zinc/32/07/66/524320766.db2.gz FGGGBLGMWLCURZ-IUODEOHRSA-N 0 0 280.408 4.710 10 0 CJAERN Clc1cccc(-c2nc(-c3cccs3)n[nH]2)c1Cl ZINC000054699936 526970608 /nfs/dbraw/zinc/97/06/08/526970608.db2.gz BFLLYAVVMHBFPC-UHFFFAOYSA-N 0 0 296.182 4.507 10 0 CJAERN Cc1ccccc1CSCc1cc(N)ccc1Cl ZINC000054963782 525183280 /nfs/dbraw/zinc/18/32/80/525183280.db2.gz WUEYLOCXKSUXSU-UHFFFAOYSA-N 0 0 277.820 4.664 10 0 CJAERN Cc1ccccc1CSCc1ccc(Cl)cc1N ZINC000054963821 525183953 /nfs/dbraw/zinc/18/39/53/525183953.db2.gz BURUNOOLRZDYNI-UHFFFAOYSA-N 0 0 277.820 4.664 10 0 CJAERN Cc1cccc(CSCc2ccc(Cl)cc2N)c1 ZINC000054965414 524459987 /nfs/dbraw/zinc/45/99/87/524459987.db2.gz FRQXKIIHVVZIGB-UHFFFAOYSA-N 0 0 277.820 4.664 10 0 CJAERN Cc1ccc([C@](C)(O)c2cc(Cl)ccc2Cl)cc1 ZINC000055190524 526049706 /nfs/dbraw/zinc/04/97/06/526049706.db2.gz LIAVDAHLWGNIQE-HNNXBMFYSA-N 0 0 281.182 4.558 10 0 CJAERN Cc1ccc([C@@](C)(O)c2cc(Cl)ccc2Cl)cc1 ZINC000055190526 525868138 /nfs/dbraw/zinc/86/81/38/525868138.db2.gz LIAVDAHLWGNIQE-OAHLLOKOSA-N 0 0 281.182 4.558 10 0 CJAERN O=C(CCOc1ccccc1)c1cccc(Cl)c1Cl ZINC000055198973 526532213 /nfs/dbraw/zinc/53/22/13/526532213.db2.gz JRNZQCKPAVGYCS-UHFFFAOYSA-N 0 0 295.165 4.645 10 0 CJAERN Cc1cccc(C(=O)c2cccc(Cl)c2Cl)c1 ZINC000055199493 524228172 /nfs/dbraw/zinc/22/81/72/524228172.db2.gz DHJUSRBXQNIAKK-UHFFFAOYSA-N 0 0 265.139 4.533 10 0 CJAERN O=C(c1cc(F)cc(F)c1)c1cccc(Cl)c1Cl ZINC000055200035 526619955 /nfs/dbraw/zinc/61/99/55/526619955.db2.gz UJAGFMQXKUJXEP-UHFFFAOYSA-N 0 0 287.092 4.503 10 0 CJAERN Cc1ccc(F)c(C(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000055200396 524778847 /nfs/dbraw/zinc/77/88/47/524778847.db2.gz GKOQAFSBESJLFC-UHFFFAOYSA-N 0 0 297.156 4.866 10 0 CJAERN CC1CCC([C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000055203858 520962930 /nfs/dbraw/zinc/96/29/30/520962930.db2.gz HDBOTHQCRASELT-MGULZYLOSA-N 0 0 272.310 4.565 10 0 CJAERN CC1CCC([C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000055203862 520963358 /nfs/dbraw/zinc/96/33/58/520963358.db2.gz HDBOTHQCRASELT-QIMFLAQGSA-N 0 0 272.310 4.565 10 0 CJAERN CC1CCC([C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000055203918 520963331 /nfs/dbraw/zinc/96/33/31/520963331.db2.gz SKPVXBHLVCXYMI-MGULZYLOSA-N 0 0 272.310 4.565 10 0 CJAERN CC1CCC([C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000055203921 520963303 /nfs/dbraw/zinc/96/33/03/520963303.db2.gz SKPVXBHLVCXYMI-QIMFLAQGSA-N 0 0 272.310 4.565 10 0 CJAERN Cc1ccc(C[C@H](O)c2cccc(Cl)c2Cl)cc1 ZINC000055204013 524685792 /nfs/dbraw/zinc/68/57/92/524685792.db2.gz KXHWQCZKQRPFQC-AWEZNQCLSA-N 0 0 281.182 4.578 10 0 CJAERN Cc1ccc(C[C@@H](O)c2cccc(Cl)c2Cl)cc1 ZINC000055204016 524665289 /nfs/dbraw/zinc/66/52/89/524665289.db2.gz KXHWQCZKQRPFQC-CQSZACIVSA-N 0 0 281.182 4.578 10 0 CJAERN O=C1CCCCC[C@H]1c1cccc(Cl)c1Cl ZINC000055230655 526970495 /nfs/dbraw/zinc/97/04/95/526970495.db2.gz JWGCNAIOLZZIER-VIFPVBQESA-N 0 0 257.160 4.610 10 0 CJAERN O=C1CCCCC[C@@H]1c1cccc(Cl)c1Cl ZINC000055230656 526970236 /nfs/dbraw/zinc/97/02/36/526970236.db2.gz JWGCNAIOLZZIER-SECBINFHSA-N 0 0 257.160 4.610 10 0 CJAERN O=C1CCCCC[C@H]1c1cc(Cl)ccc1Cl ZINC000055230662 526970405 /nfs/dbraw/zinc/97/04/05/526970405.db2.gz UVNXMJFBLKYEJL-JTQLQIEISA-N 0 0 257.160 4.610 10 0 CJAERN O=C1CCCCC[C@@H]1c1cc(Cl)ccc1Cl ZINC000055230664 526970400 /nfs/dbraw/zinc/97/04/00/526970400.db2.gz UVNXMJFBLKYEJL-SNVBAGLBSA-N 0 0 257.160 4.610 10 0 CJAERN CC(C)c1ccc([C@](C)(O)c2ccc(Cl)cc2)cc1 ZINC000055241205 519840379 /nfs/dbraw/zinc/84/03/79/519840379.db2.gz HCDNQPLNQASAJD-KRWDZBQOSA-N 0 0 274.791 4.719 10 0 CJAERN CC(C)c1ccc([C@@](C)(O)c2ccc(Cl)cc2)cc1 ZINC000055241207 519839681 /nfs/dbraw/zinc/83/96/81/519839681.db2.gz HCDNQPLNQASAJD-QGZVFWFLSA-N 0 0 274.791 4.719 10 0 CJAERN O=C(Cc1ccc(Cl)s1)C12CC3CC(CC(C3)C1)C2 ZINC000055270278 527224459 /nfs/dbraw/zinc/22/44/59/527224459.db2.gz JXPOSBXAJNEIHM-UHFFFAOYSA-N 0 0 294.847 4.730 10 0 CJAERN Nc1cc(Cl)ccc1Cn1cc(Cl)c2ccccc21 ZINC000055310115 527451845 /nfs/dbraw/zinc/45/18/45/527451845.db2.gz WOBAMOSPJIIXGD-UHFFFAOYSA-N 0 0 291.181 4.579 10 0 CJAERN CCCCSc1nc2ccccc2n1-c1ccccc1 ZINC000057326541 520979124 /nfs/dbraw/zinc/97/91/24/520979124.db2.gz WMWQCDJEHFXGFT-UHFFFAOYSA-N 0 0 282.412 4.918 10 0 CJAERN O=C(CSC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000057406765 175596039 /nfs/dbraw/zinc/59/60/39/175596039.db2.gz CVZODXZALKJMJV-UHFFFAOYSA-N 0 0 289.227 4.852 10 0 CJAERN CC(C)Cc1ccc(CNc2cccc(F)c2)cc1 ZINC000057545072 519439189 /nfs/dbraw/zinc/43/91/89/519439189.db2.gz YCNIBHPQNHTOPW-UHFFFAOYSA-N 0 0 257.352 4.636 10 0 CJAERN CC(C)c1nc(-c2cccs2)sc1Br ZINC000057599842 519858210 /nfs/dbraw/zinc/85/82/10/519858210.db2.gz YQFVQBQTHCZSQS-UHFFFAOYSA-N 0 0 288.235 4.758 10 0 CJAERN Cc1nc(Br)sc1-c1ccccc1Cl ZINC000057600603 526632012 /nfs/dbraw/zinc/63/20/12/526632012.db2.gz JWYAOXZKISRHTK-UHFFFAOYSA-N 0 0 288.597 4.534 10 0 CJAERN Cc1nc(-c2ccccc2Cl)sc1Br ZINC000057600604 526605853 /nfs/dbraw/zinc/60/58/53/526605853.db2.gz UGGMNWUDFZDORV-UHFFFAOYSA-N 0 0 288.597 4.534 10 0 CJAERN Cc1sc(Br)nc1-c1ccc(Cl)cc1 ZINC000057600613 526871237 /nfs/dbraw/zinc/87/12/37/526871237.db2.gz CSIBRKKPOJXPJE-UHFFFAOYSA-N 0 0 288.597 4.534 10 0 CJAERN Cc1sc(Br)nc1-c1ccc(Cl)s1 ZINC000057610299 526871007 /nfs/dbraw/zinc/87/10/07/526871007.db2.gz XRAVGSIBRPOTPO-UHFFFAOYSA-N 0 0 294.626 4.596 10 0 CJAERN CC[C@H](Nc1ccccc1N1CCCCC1)C(C)C ZINC000057764255 522775977 /nfs/dbraw/zinc/77/59/77/522775977.db2.gz ZHMQLPRQIYKMQI-HNNXBMFYSA-N 0 0 260.425 4.523 10 0 CJAERN Clc1cc2c(cc1Cl)N[C@H](c1ccccc1)CN2 ZINC000057923223 526931464 /nfs/dbraw/zinc/93/14/64/526931464.db2.gz ZSULPZCWFQOOQX-AWEZNQCLSA-N 0 0 279.170 4.572 10 0 CJAERN CC(C)(C)c1ccc(-c2nc3c(c(Cl)n2)CCC3)cc1 ZINC000058043847 519009525 /nfs/dbraw/zinc/00/95/25/519009525.db2.gz KXIJTAPLVHRBIG-UHFFFAOYSA-N 0 0 286.806 4.583 10 0 CJAERN Fc1ccccc1-c1nc(Cl)cc(-c2ccccc2)n1 ZINC000058043916 175606726 /nfs/dbraw/zinc/60/67/26/175606726.db2.gz DYFCGNITZBHPQF-UHFFFAOYSA-N 0 0 284.721 4.603 10 0 CJAERN Clc1ccc(-c2nc(Cl)cc(Cl)n2)c(Cl)c1 ZINC000058048984 526933992 /nfs/dbraw/zinc/93/39/92/526933992.db2.gz CIGUTWZMCILARO-UHFFFAOYSA-N 0 0 293.968 4.757 10 0 CJAERN CC(C)(C)c1ccc2c(c1)NC[C@@H](c1ccccc1)O2 ZINC000058235174 519053810 /nfs/dbraw/zinc/05/38/10/519053810.db2.gz WYNPGGZCPQQOLC-KRWDZBQOSA-N 0 0 267.372 4.530 10 0 CJAERN C[C@H](O)c1ccc(Sc2ccc(Cl)cc2)c(F)c1 ZINC000058819707 175628734 /nfs/dbraw/zinc/62/87/34/175628734.db2.gz PDRMFMGDUFZYRQ-VIFPVBQESA-N 0 0 282.767 4.684 10 0 CJAERN C[C@@H](O)c1ccc(Sc2ccc(Cl)cc2)c(F)c1 ZINC000058819708 567217957 /nfs/dbraw/zinc/21/79/57/567217957.db2.gz PDRMFMGDUFZYRQ-SECBINFHSA-N 0 0 282.767 4.684 10 0 CJAERN CCOC(=O)c1[nH]c2c(cc(C)cc2C)c1-c1ccccc1 ZINC000058823766 175628619 /nfs/dbraw/zinc/62/86/19/175628619.db2.gz XGHYVVFLWBXQNS-UHFFFAOYSA-N 0 0 293.366 4.628 10 0 CJAERN CCOC(=O)c1[nH]c2ccc(CC)cc2c1-c1ccccc1 ZINC000058823771 175628440 /nfs/dbraw/zinc/62/84/40/175628440.db2.gz DUIDSDBDFAVLOQ-UHFFFAOYSA-N 0 0 293.366 4.574 10 0 CJAERN CCOC(=O)c1[nH]c2ccccc2c1-c1ccc(Cl)cc1 ZINC000058823788 567217302 /nfs/dbraw/zinc/21/73/02/567217302.db2.gz FVVWQCUYJUFGFM-UHFFFAOYSA-N 0 0 299.757 4.665 10 0 CJAERN CC(=O)c1ccc(Sc2ccccc2)c(Cl)c1 ZINC000058826087 567217713 /nfs/dbraw/zinc/21/77/13/567217713.db2.gz QMTWTQWVLBNXFV-UHFFFAOYSA-N 0 0 262.761 4.694 10 0 CJAERN C[C@H](O)c1ccc(Sc2ccccc2)c(Cl)c1 ZINC000058826138 175628976 /nfs/dbraw/zinc/62/89/76/175628976.db2.gz TYPZCUYDILQHRM-JTQLQIEISA-N 0 0 264.777 4.545 10 0 CJAERN C[C@@H](O)c1ccc(Sc2ccccc2)c(Cl)c1 ZINC000058826144 567217371 /nfs/dbraw/zinc/21/73/71/567217371.db2.gz TYPZCUYDILQHRM-SNVBAGLBSA-N 0 0 264.777 4.545 10 0 CJAERN c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3 ZINC000059200446 570300575 /nfs/dbraw/zinc/30/05/75/570300575.db2.gz QBBPWJMJLXOORS-UHFFFAOYSA-N 0 0 254.332 4.829 10 0 CJAERN Clc1cc(Cl)nc(-c2cccc3ccccc32)n1 ZINC000059246797 175631160 /nfs/dbraw/zinc/63/11/60/175631160.db2.gz WXXBZRNIVWPVQV-UHFFFAOYSA-N 0 0 275.138 4.604 10 0 CJAERN Cc1cccc(C)c1NCCc1ccc(Cl)cc1 ZINC000059453311 524301058 /nfs/dbraw/zinc/30/10/58/524301058.db2.gz UHQAZCNVHXFQQO-UHFFFAOYSA-N 0 0 259.780 4.611 10 0 CJAERN CCc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000059691908 567218577 /nfs/dbraw/zinc/21/85/77/567218577.db2.gz LMHONHVFQVNFFE-UHFFFAOYSA-N 0 0 257.720 4.711 10 0 CJAERN CC/C=C\C/C=C\CCC/C=C/CCOC(C)=O ZINC000059725211 175633466 /nfs/dbraw/zinc/63/34/66/175633466.db2.gz HWPJPNQEVWTZSJ-XBZOLNABSA-N 0 0 250.382 4.579 10 0 CJAERN OC(Cc1ccccn1)(C1CCCCC1)C1CCCCC1 ZINC000060076226 566874713 /nfs/dbraw/zinc/87/47/13/566874713.db2.gz UJDBDPAWHPQPAO-UHFFFAOYSA-N 0 0 287.447 4.516 10 0 in-vitro CJAERN C[C@@H](Nc1cc(F)c(F)cc1F)c1ccc(Cl)cc1 ZINC000061092976 525698831 /nfs/dbraw/zinc/69/88/31/525698831.db2.gz LVEBMFKIWCCCDV-MRVPVSSYSA-N 0 0 285.696 4.930 10 0 CJAERN Cc1ccccc1[C@@H](C)Nc1cc(F)c(F)cc1F ZINC000061093059 525361086 /nfs/dbraw/zinc/36/10/86/525361086.db2.gz IYZZMJDXAWAZSW-SNVBAGLBSA-N 0 0 265.278 4.585 10 0 CJAERN Cc1ccccc1[C@H](C)Nc1cc(F)c(F)cc1F ZINC000061093060 525419303 /nfs/dbraw/zinc/41/93/03/525419303.db2.gz IYZZMJDXAWAZSW-JTQLQIEISA-N 0 0 265.278 4.585 10 0 CJAERN CC(C)[C@@H](Nc1cc(F)c(F)cc1F)c1cccs1 ZINC000061093511 519799786 /nfs/dbraw/zinc/79/97/86/519799786.db2.gz QNNLJPHMDZEKJA-CQSZACIVSA-N 0 0 285.334 4.975 10 0 CJAERN Fc1cc(F)c(N[C@@H](c2cccs2)C2CC2)cc1F ZINC000061093733 526305325 /nfs/dbraw/zinc/30/53/25/526305325.db2.gz FFPGAALHCRGANB-CQSZACIVSA-N 0 0 283.318 4.729 10 0 CJAERN Fc1cc(F)c(N[C@H](c2cccs2)C2CC2)cc1F ZINC000061093734 526305173 /nfs/dbraw/zinc/30/51/73/526305173.db2.gz FFPGAALHCRGANB-AWEZNQCLSA-N 0 0 283.318 4.729 10 0 CJAERN C[C@H](Nc1cc(F)cc(F)c1F)c1ccc(Cl)cc1 ZINC000061098969 525644978 /nfs/dbraw/zinc/64/49/78/525644978.db2.gz RYITVUSMRSXYQO-QMMMGPOBSA-N 0 0 285.696 4.930 10 0 CJAERN C[C@H](Nc1cc(F)cc(F)c1F)c1cccc(Cl)c1 ZINC000061099065 525644917 /nfs/dbraw/zinc/64/49/17/525644917.db2.gz CAKZRRCKKSVNIW-QMMMGPOBSA-N 0 0 285.696 4.930 10 0 CJAERN Cc1ccccc1[C@@H](C)Nc1cc(F)cc(F)c1F ZINC000061099118 525362057 /nfs/dbraw/zinc/36/20/57/525362057.db2.gz TVGSDCMCJRINJJ-SNVBAGLBSA-N 0 0 265.278 4.585 10 0 CJAERN CC[C@@H](Nc1cc(F)cc(F)c1F)c1ccccc1 ZINC000061099302 522956565 /nfs/dbraw/zinc/95/65/65/522956565.db2.gz DPEGEVURBKTPSN-CYBMUJFWSA-N 0 0 265.278 4.667 10 0 CJAERN CC[C@@H](Nc1cc(F)cc(F)c1F)c1cccs1 ZINC000061099414 522955603 /nfs/dbraw/zinc/95/56/03/522955603.db2.gz HLNUSWRYTJHUFX-SNVBAGLBSA-N 0 0 271.307 4.729 10 0 CJAERN Cc1cc([C@H](C)Nc2ccc(F)c(C)c2)c(C)s1 ZINC000061117752 525531612 /nfs/dbraw/zinc/53/16/12/525531612.db2.gz QLPOZWLOKVOFJJ-NSHDSACASA-N 0 0 263.381 4.986 10 0 CJAERN Fc1ccc(N[C@@H]2CCCc3sccc32)c(F)c1F ZINC000061324467 526355796 /nfs/dbraw/zinc/35/57/96/526355796.db2.gz NKGTUXXNRQWLHN-SNVBAGLBSA-N 0 0 283.318 4.655 10 0 CJAERN Fc1ccc(N[C@H]2CCCc3sccc32)c(F)c1F ZINC000061324468 526355040 /nfs/dbraw/zinc/35/50/40/526355040.db2.gz NKGTUXXNRQWLHN-JTQLQIEISA-N 0 0 283.318 4.655 10 0 CJAERN Clc1cccc(N[C@@H]2CCCc3sccc32)c1 ZINC000061324626 526981302 /nfs/dbraw/zinc/98/13/02/526981302.db2.gz YFSVPDYBVBHPRO-CYBMUJFWSA-N 0 0 263.793 4.891 10 0 CJAERN Clc1cccc(N[C@H]2CCCc3sccc32)c1 ZINC000061324629 526980069 /nfs/dbraw/zinc/98/00/69/526980069.db2.gz YFSVPDYBVBHPRO-ZDUSSCGKSA-N 0 0 263.793 4.891 10 0 CJAERN Cc1ccc(F)cc1N[C@@H]1CCCc2sccc21 ZINC000061324727 524869237 /nfs/dbraw/zinc/86/92/37/524869237.db2.gz BHUKNPHRAJVRPE-CYBMUJFWSA-N 0 0 261.365 4.685 10 0 CJAERN Cc1ccc(F)cc1N[C@H]1CCCc2sccc21 ZINC000061324729 524869358 /nfs/dbraw/zinc/86/93/58/524869358.db2.gz BHUKNPHRAJVRPE-ZDUSSCGKSA-N 0 0 261.365 4.685 10 0 CJAERN CCc1ccccc1N[C@@H]1CCCc2sccc21 ZINC000061324750 521911763 /nfs/dbraw/zinc/91/17/63/521911763.db2.gz IULZFMIHULGEMA-OAHLLOKOSA-N 0 0 257.402 4.800 10 0 CJAERN CCc1ccccc1N[C@H]1CCCc2sccc21 ZINC000061324751 521912488 /nfs/dbraw/zinc/91/24/88/521912488.db2.gz IULZFMIHULGEMA-HNNXBMFYSA-N 0 0 257.402 4.800 10 0 CJAERN Fc1cc(F)cc(N[C@@H]2CCCc3sccc32)c1 ZINC000061324771 526309298 /nfs/dbraw/zinc/30/92/98/526309298.db2.gz DLJZXLXHZJCTNB-CYBMUJFWSA-N 0 0 265.328 4.516 10 0 CJAERN Fc1cc(F)cc(N[C@H]2CCCc3sccc32)c1 ZINC000061324773 526308184 /nfs/dbraw/zinc/30/81/84/526308184.db2.gz DLJZXLXHZJCTNB-ZDUSSCGKSA-N 0 0 265.328 4.516 10 0 CJAERN Cc1cccc(N[C@@H]2CCCc3sccc32)c1C ZINC000061324802 524695591 /nfs/dbraw/zinc/69/55/91/524695591.db2.gz XLYSDYIAIKUHCX-OAHLLOKOSA-N 0 0 257.402 4.854 10 0 CJAERN Cc1cccc(N[C@H]2CCCc3sccc32)c1C ZINC000061324805 524697314 /nfs/dbraw/zinc/69/73/14/524697314.db2.gz XLYSDYIAIKUHCX-HNNXBMFYSA-N 0 0 257.402 4.854 10 0 CJAERN Fc1cccc(F)c1N[C@@H]1CCCc2sccc21 ZINC000061325540 526394980 /nfs/dbraw/zinc/39/49/80/526394980.db2.gz CUSYBFYVIXUOIF-GFCCVEGCSA-N 0 0 265.328 4.516 10 0 CJAERN Fc1cccc(F)c1N[C@H]1CCCc2sccc21 ZINC000061325543 526394216 /nfs/dbraw/zinc/39/42/16/526394216.db2.gz CUSYBFYVIXUOIF-LBPRGKRZSA-N 0 0 265.328 4.516 10 0 CJAERN Fc1cccc(N[C@@H]2CCCc3sccc32)c1F ZINC000061328698 526395896 /nfs/dbraw/zinc/39/58/96/526395896.db2.gz CBNUOACKXLFJTH-LLVKDONJSA-N 0 0 265.328 4.516 10 0 CJAERN Fc1cccc(N[C@H]2CCCc3sccc32)c1F ZINC000061328701 526396599 /nfs/dbraw/zinc/39/65/99/526396599.db2.gz CBNUOACKXLFJTH-NSHDSACASA-N 0 0 265.328 4.516 10 0 CJAERN COc1ccc(Cl)c(N[C@@H]2CCCc3sccc32)c1 ZINC000061329061 524186396 /nfs/dbraw/zinc/18/63/96/524186396.db2.gz RLTQAYGYPIVZQB-CYBMUJFWSA-N 0 0 293.819 4.900 10 0 CJAERN COc1ccc(Cl)c(N[C@H]2CCCc3sccc32)c1 ZINC000061329063 524187314 /nfs/dbraw/zinc/18/73/14/524187314.db2.gz RLTQAYGYPIVZQB-ZDUSSCGKSA-N 0 0 293.819 4.900 10 0 CJAERN Fc1cc(F)c(N[C@@H]2CCCc3sccc32)cc1F ZINC000061329506 526304914 /nfs/dbraw/zinc/30/49/14/526304914.db2.gz DYEARNFCMXRIRJ-GFCCVEGCSA-N 0 0 283.318 4.655 10 0 CJAERN Fc1cc(F)c(N[C@H]2CCCc3sccc32)cc1F ZINC000061329507 526305529 /nfs/dbraw/zinc/30/55/29/526305529.db2.gz DYEARNFCMXRIRJ-LBPRGKRZSA-N 0 0 283.318 4.655 10 0 CJAERN C[C@H](Nc1ccc(C(F)(F)F)cc1N)c1ccsc1 ZINC000061361191 525648668 /nfs/dbraw/zinc/64/86/68/525648668.db2.gz OBXVCNHXVMLJNV-QMMMGPOBSA-N 0 0 286.322 4.522 10 0 CJAERN C[C@@H](Nc1ccc(C(F)(F)F)cc1N)c1ccsc1 ZINC000061361192 525702986 /nfs/dbraw/zinc/70/29/86/525702986.db2.gz OBXVCNHXVMLJNV-MRVPVSSYSA-N 0 0 286.322 4.522 10 0 CJAERN Cc1ccc2c(c1)[nH]c(=S)n2[C@@H](C)c1ccsc1 ZINC000061364950 526214763 /nfs/dbraw/zinc/21/47/63/526214763.db2.gz FZRCYCMJQXORAQ-JTQLQIEISA-N 0 0 274.414 4.678 10 0 CJAERN Cc1ccc2c(c1)[nH]c(=S)n2[C@H](C)c1ccsc1 ZINC000061364951 526215194 /nfs/dbraw/zinc/21/51/94/526215194.db2.gz FZRCYCMJQXORAQ-SNVBAGLBSA-N 0 0 274.414 4.678 10 0 CJAERN C[C@H](Nc1nc2cc(F)ccc2s1)c1ccsc1 ZINC000061365177 525679966 /nfs/dbraw/zinc/67/99/66/525679966.db2.gz IZBVIRJGRFFDOZ-QMMMGPOBSA-N 0 0 278.377 4.670 10 0 CJAERN C[C@@H](Nc1nc2cc(F)ccc2s1)c1ccsc1 ZINC000061365178 525726885 /nfs/dbraw/zinc/72/68/85/525726885.db2.gz IZBVIRJGRFFDOZ-MRVPVSSYSA-N 0 0 278.377 4.670 10 0 CJAERN COc1ccc(NCc2cccc(Cl)c2Cl)c(C)c1 ZINC000061565259 524681517 /nfs/dbraw/zinc/68/15/17/524681517.db2.gz VYLJTEZYBVZHOP-UHFFFAOYSA-N 0 0 296.197 4.923 10 0 CJAERN CC[C@H](Nc1ccc(OC)cc1C)c1ccccc1 ZINC000061565789 522770908 /nfs/dbraw/zinc/77/09/08/522770908.db2.gz KQNNFYVXHCWJNG-INIZCTEOSA-N 0 0 255.361 4.567 10 0 CJAERN CC[C@@H](Nc1ccc(OC)cc1C)c1ccccc1 ZINC000061565790 522958029 /nfs/dbraw/zinc/95/80/29/522958029.db2.gz KQNNFYVXHCWJNG-MRXNPFEDSA-N 0 0 255.361 4.567 10 0 CJAERN c1ccc(-c2ccccc2N[C@@H]2CCCSC2)cc1 ZINC000061570700 526452111 /nfs/dbraw/zinc/45/21/11/526452111.db2.gz FUCMIMLTWXDSJJ-OAHLLOKOSA-N 0 0 269.413 4.661 10 0 CJAERN c1ccc(-c2ccccc2N[C@H]2CCCSC2)cc1 ZINC000061570703 526452301 /nfs/dbraw/zinc/45/23/01/526452301.db2.gz FUCMIMLTWXDSJJ-HNNXBMFYSA-N 0 0 269.413 4.661 10 0 CJAERN FC(F)(F)c1cc(Cl)ccc1N[C@@H]1CCCSC1 ZINC000061571015 527680636 /nfs/dbraw/zinc/68/06/36/527680636.db2.gz DZGHNVDQAHIXNR-SECBINFHSA-N 0 0 295.757 4.666 10 0 CJAERN FC(F)(F)c1cc(Cl)ccc1N[C@H]1CCCSC1 ZINC000061571016 527680082 /nfs/dbraw/zinc/68/00/82/527680082.db2.gz DZGHNVDQAHIXNR-VIFPVBQESA-N 0 0 295.757 4.666 10 0 CJAERN FC(F)(F)c1cc(N[C@@H]2CCCSC2)ccc1Cl ZINC000061572666 527680680 /nfs/dbraw/zinc/68/06/80/527680680.db2.gz GLVTVULVOTWVPS-SECBINFHSA-N 0 0 295.757 4.666 10 0 CJAERN FC(F)(F)c1cc(N[C@H]2CCCSC2)ccc1Cl ZINC000061572667 527680210 /nfs/dbraw/zinc/68/02/10/527680210.db2.gz GLVTVULVOTWVPS-VIFPVBQESA-N 0 0 295.757 4.666 10 0 CJAERN Cc1cc(Cl)c(N[C@@H]2CCCSC2)c2cccnc12 ZINC000061573684 524850838 /nfs/dbraw/zinc/85/08/38/524850838.db2.gz BADDCXMERWXXOE-LLVKDONJSA-N 0 0 292.835 4.504 10 0 CJAERN Cc1cc(Cl)c(N[C@H]2CCCSC2)c2cccnc12 ZINC000061573685 524850340 /nfs/dbraw/zinc/85/03/40/524850340.db2.gz BADDCXMERWXXOE-NSHDSACASA-N 0 0 292.835 4.504 10 0 CJAERN FC(F)(F)c1ccc(N[C@@H]2CCCSC2)c(Cl)c1 ZINC000061576821 527683734 /nfs/dbraw/zinc/68/37/34/527683734.db2.gz HZCOADNUBYHPMU-SECBINFHSA-N 0 0 295.757 4.666 10 0 CJAERN FC(F)(F)c1ccc(N[C@H]2CCCSC2)c(Cl)c1 ZINC000061576823 527683728 /nfs/dbraw/zinc/68/37/28/527683728.db2.gz HZCOADNUBYHPMU-VIFPVBQESA-N 0 0 295.757 4.666 10 0 CJAERN O=C(c1cc(Cl)sc1Cl)C1(c2ccccc2)CC1 ZINC000061617688 526612192 /nfs/dbraw/zinc/61/21/92/526612192.db2.gz LQJDLESQKXJWQE-UHFFFAOYSA-N 0 0 297.206 4.969 10 0 CJAERN CCNc1cc(C(F)F)nc2c(Cl)cc(Cl)cc12 ZINC000061629548 520265651 /nfs/dbraw/zinc/26/56/51/520265651.db2.gz MTJDTCSQRMJMIA-UHFFFAOYSA-N 0 0 291.128 4.911 10 0 CJAERN CCNc1cc(C(F)F)nc2c(Cl)cc(C)cc12 ZINC000061629554 520265485 /nfs/dbraw/zinc/26/54/85/520265485.db2.gz RQCCOBVKBLCENB-UHFFFAOYSA-N 0 0 270.710 4.566 10 0 CJAERN CCCCc1ccc2nc(C(F)F)cc(NC)c2c1 ZINC000061629631 521288656 /nfs/dbraw/zinc/28/86/56/521288656.db2.gz DAMKIOLKLJNJCJ-UHFFFAOYSA-N 0 0 264.319 4.557 10 0 CJAERN CCCNc1cc(C(F)F)nc2c(F)cc(Cl)cc12 ZINC000061629672 520134078 /nfs/dbraw/zinc/13/40/78/520134078.db2.gz LDYWAMXCVSCETD-UHFFFAOYSA-N 0 0 288.700 4.787 10 0 CJAERN CCCNc1cc(C(F)F)nc2c(C)c(C)ccc12 ZINC000061629699 520133971 /nfs/dbraw/zinc/13/39/71/520133971.db2.gz PSHJSPKUAQZYKS-UHFFFAOYSA-N 0 0 264.319 4.611 10 0 CJAERN CCCNc1cc(C(F)F)nc2c(Cl)cccc12 ZINC000061629709 520133572 /nfs/dbraw/zinc/13/35/72/520133572.db2.gz TUJZQWOCUQVFPF-UHFFFAOYSA-N 0 0 270.710 4.648 10 0 CJAERN CCCOc1cccc2c(Cl)cc(C(F)F)nc12 ZINC000061629940 520471116 /nfs/dbraw/zinc/47/11/16/520471116.db2.gz JURIHIJTOAJJMT-UHFFFAOYSA-N 0 0 271.694 4.615 10 0 CJAERN CC(C)c1ccc2nc(C(F)F)cc(Cl)c2c1 ZINC000061629965 519840608 /nfs/dbraw/zinc/84/06/08/519840608.db2.gz LGYXCEMVVMRRQC-UHFFFAOYSA-N 0 0 255.695 4.949 10 0 CJAERN CCN(Cc1nc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000061631491 521451694 /nfs/dbraw/zinc/45/16/94/521451694.db2.gz ZIXNBOFWMNFANO-UHFFFAOYSA-N 0 0 299.176 4.554 10 0 CJAERN Cc1cccc(C)c1OCc1nc(Cl)ccc1Cl ZINC000061639326 524322334 /nfs/dbraw/zinc/32/23/34/524322334.db2.gz OQVULSUREKZYMK-UHFFFAOYSA-N 0 0 282.170 4.584 10 0 CJAERN CCc1ccc(OCc2nc(Cl)ccc2Cl)cc1 ZINC000061639374 524008266 /nfs/dbraw/zinc/00/82/66/524008266.db2.gz BMSQHKARCSPQMF-UHFFFAOYSA-N 0 0 282.170 4.530 10 0 CJAERN CC[C@@H]1CCCC[C@@H]1OCc1nc(Cl)ccc1Cl ZINC000061639541 523207740 /nfs/dbraw/zinc/20/77/40/523207740.db2.gz SCYYHOQEOJYYRU-MFKMUULPSA-N 0 0 288.218 4.874 10 0 CJAERN CC[C@H]1CCCC[C@@H]1OCc1nc(Cl)ccc1Cl ZINC000061639542 523051080 /nfs/dbraw/zinc/05/10/80/523051080.db2.gz SCYYHOQEOJYYRU-GWCFXTLKSA-N 0 0 288.218 4.874 10 0 CJAERN CC[C@@H]1CCCC[C@H]1OCc1nc(Cl)ccc1Cl ZINC000061639543 523228126 /nfs/dbraw/zinc/22/81/26/523228126.db2.gz SCYYHOQEOJYYRU-ZWNOBZJWSA-N 0 0 288.218 4.874 10 0 CJAERN CC[C@H]1CCCC[C@H]1OCc1nc(Cl)ccc1Cl ZINC000061639544 523065206 /nfs/dbraw/zinc/06/52/06/523065206.db2.gz SCYYHOQEOJYYRU-GXFFZTMASA-N 0 0 288.218 4.874 10 0 CJAERN CNc1ccc(Cl)c(CSc2ccc(Cl)cc2)n1 ZINC000061640586 522625213 /nfs/dbraw/zinc/62/52/13/522625213.db2.gz HYXBZCKSIXTCAW-UHFFFAOYSA-N 0 0 299.226 4.722 10 0 CJAERN Cc1nc2c(Cl)ccc(Cl)c2c(N)c1C(C)C ZINC000061687713 527092121 /nfs/dbraw/zinc/09/21/21/527092121.db2.gz FEFBWWRMSFSFKT-UHFFFAOYSA-N 0 0 269.175 4.556 10 0 CJAERN Cc1cc(-c2nc(C)c(C(C)C)c(Cl)n2)c(C)s1 ZINC000061689196 526052500 /nfs/dbraw/zinc/05/25/00/526052500.db2.gz JTPISHOLNVPIGH-UHFFFAOYSA-N 0 0 280.824 4.907 10 0 CJAERN Cc1ccc(-c2nc(C)c(C(C)C)c(Cl)n2)s1 ZINC000061689211 525804206 /nfs/dbraw/zinc/80/42/06/525804206.db2.gz KILKAZSLCUYTDD-UHFFFAOYSA-N 0 0 266.797 4.599 10 0 CJAERN Nc1cc(-c2ccc3ccccc3c2)ccc1Cl ZINC000061692225 527439408 /nfs/dbraw/zinc/43/94/08/527439408.db2.gz KADPSGFTAYRODE-UHFFFAOYSA-N 0 0 253.732 4.742 10 0 CJAERN CC(=O)c1ccc(N(C)[C@@H](C)c2cccs2)c(Cl)c1 ZINC000061693947 518343978 /nfs/dbraw/zinc/34/39/78/518343978.db2.gz CECPTXRBTVOZBC-JTQLQIEISA-N 0 0 293.819 4.802 10 0 CJAERN CC(=O)c1ccc(N(C)[C@H](C)c2cccs2)c(Cl)c1 ZINC000061693948 518342544 /nfs/dbraw/zinc/34/25/44/518342544.db2.gz CECPTXRBTVOZBC-SNVBAGLBSA-N 0 0 293.819 4.802 10 0 CJAERN CC(=O)c1ccc(OC2CCC(C)CC2)c(Cl)c1 ZINC000061694748 518392195 /nfs/dbraw/zinc/39/21/95/518392195.db2.gz ANWGGHJKLBQTRI-UHFFFAOYSA-N 0 0 266.768 4.500 10 0 CJAERN CC(=O)c1ccc(Oc2ccccc2C)c(Cl)c1 ZINC000061695020 518399947 /nfs/dbraw/zinc/39/99/47/518399947.db2.gz GDARJPUQXPSGRW-UHFFFAOYSA-N 0 0 260.720 4.643 10 0 CJAERN CC(=O)c1ccc(Oc2cccc(Cl)c2)c(Cl)c1 ZINC000061695063 518401202 /nfs/dbraw/zinc/40/12/02/518401202.db2.gz HLHPERKOZUVBPZ-UHFFFAOYSA-N 0 0 281.138 4.988 10 0 CJAERN CC(=O)c1ccc(Oc2ccc(F)c(F)c2)c(Cl)c1 ZINC000061695794 518400930 /nfs/dbraw/zinc/40/09/30/518400930.db2.gz UGZQLODYYAZXLB-UHFFFAOYSA-N 0 0 282.673 4.613 10 0 CJAERN C[C@H](O)c1ccc(N(C)[C@@H](C)c2cccs2)c(Cl)c1 ZINC000061696291 525856796 /nfs/dbraw/zinc/85/67/96/525856796.db2.gz OVEZBWPEUBVSIR-QWRGUYRKSA-N 0 0 295.835 4.652 10 0 CJAERN CC(=O)c1ccc(OCC2CCCCC2)c(Cl)c1 ZINC000061696312 518394242 /nfs/dbraw/zinc/39/42/42/518394242.db2.gz XWOROYWHTWUORY-UHFFFAOYSA-N 0 0 266.768 4.502 10 0 CJAERN CC(=O)c1ccc(Oc2cc(F)cc(F)c2)c(Cl)c1 ZINC000061696321 518401444 /nfs/dbraw/zinc/40/14/44/518401444.db2.gz ISTPCAZHQREPKT-UHFFFAOYSA-N 0 0 282.673 4.613 10 0 CJAERN COc1ccc(Sc2ccc(C(C)=O)cc2Cl)cc1 ZINC000061696509 525113651 /nfs/dbraw/zinc/11/36/51/525113651.db2.gz IGJRFRHGWIRAJV-UHFFFAOYSA-N 0 0 292.787 4.702 10 0 CJAERN C[C@H](O)c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 ZINC000061697557 525858050 /nfs/dbraw/zinc/85/80/50/525858050.db2.gz CKMUNAMJZJDNGT-VIFPVBQESA-N 0 0 283.154 4.839 10 0 CJAERN Cc1ccc(C)c(Oc2ccc([C@@H](C)O)cc2Cl)c1 ZINC000061697567 524183395 /nfs/dbraw/zinc/18/33/95/524183395.db2.gz WLYXBRYTZHPAPE-GFCCVEGCSA-N 0 0 276.763 4.802 10 0 CJAERN Cc1ccc(C)c(Oc2ccc([C@H](C)O)cc2Cl)c1 ZINC000061697568 524183798 /nfs/dbraw/zinc/18/37/98/524183798.db2.gz WLYXBRYTZHPAPE-LBPRGKRZSA-N 0 0 276.763 4.802 10 0 CJAERN Cc1ccc(Oc2ccc([C@H](C)O)cc2Cl)cc1C ZINC000061697572 525477113 /nfs/dbraw/zinc/47/71/13/525477113.db2.gz OGSUQRGGKJOWQK-LBPRGKRZSA-N 0 0 276.763 4.802 10 0 CJAERN Cc1cc(C)cc(Oc2ccc([C@H](C)O)cc2Cl)c1 ZINC000061697578 524455111 /nfs/dbraw/zinc/45/51/11/524455111.db2.gz DJHXHNMOEWHVSU-LBPRGKRZSA-N 0 0 276.763 4.802 10 0 CJAERN Cc1ccc(Nc2cccc(Cl)c2Cl)cc1N ZINC000061701081 525325526 /nfs/dbraw/zinc/32/55/26/525325526.db2.gz BYKYZBMLWYIMRU-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN Clc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000061714185 527002159 /nfs/dbraw/zinc/00/21/59/527002159.db2.gz JXEUOUPAFZUCNG-UHFFFAOYSA-N 0 0 264.564 4.770 10 0 CJAERN Clc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000061714205 527002405 /nfs/dbraw/zinc/00/24/05/527002405.db2.gz ZFVXUJBMOIPRJK-UHFFFAOYSA-N 0 0 264.564 4.770 10 0 CJAERN CC(C)Nc1nc(-c2ccccc2C(F)(F)F)cs1 ZINC000061714475 519741747 /nfs/dbraw/zinc/74/17/47/519741747.db2.gz BNPRZOYMXIRAFJ-UHFFFAOYSA-N 0 0 286.322 4.649 10 0 CJAERN CC(C)c1sc(NC2CC2)nc1-c1ccccc1 ZINC000061714562 519915206 /nfs/dbraw/zinc/91/52/06/519915206.db2.gz NINOFAWWJPRYAX-UHFFFAOYSA-N 0 0 258.390 4.508 10 0 CJAERN Fc1ccc(-c2nc3sccc3c(Cl)n2)c(Cl)c1 ZINC000061845024 526316796 /nfs/dbraw/zinc/31/67/96/526316796.db2.gz PFEQVSOALLBSKR-UHFFFAOYSA-N 0 0 299.157 4.804 10 0 CJAERN CCc1oc2ccccc2c1-c1cccc(N)c1C ZINC000061876791 523007007 /nfs/dbraw/zinc/00/70/07/523007007.db2.gz OJYKZFUQZAVCMB-UHFFFAOYSA-N 0 0 251.329 4.553 10 0 CJAERN CCc1csc(N[C@@H](C)c2ccc(Cl)s2)n1 ZINC000061894583 327027347 /nfs/dbraw/zinc/02/73/47/327027347.db2.gz OJBMMDPIOYQWSX-ZETCQYMHSA-N 0 0 272.826 4.594 10 0 CJAERN CCc1csc(N[C@H](C)c2ccc(Cl)s2)n1 ZINC000061894584 333475313 /nfs/dbraw/zinc/47/53/13/333475313.db2.gz OJBMMDPIOYQWSX-SSDOTTSWSA-N 0 0 272.826 4.594 10 0 CJAERN C[C@H](CCNc1c(N)cccc1Cl)c1ccccc1 ZINC000061910201 524199562 /nfs/dbraw/zinc/19/95/62/524199562.db2.gz SRLNGDNVLNHXJA-GFCCVEGCSA-N 0 0 274.795 4.528 10 0 CJAERN C[C@@H](c1ccccc1Cl)N(C)c1ccc(Cl)cc1N ZINC000062013969 526103085 /nfs/dbraw/zinc/10/30/85/526103085.db2.gz IJCMNMCHIUGLSA-JTQLQIEISA-N 0 0 295.213 4.773 10 0 CJAERN Cc1cc(N)cc(-c2nc3cccc(Cl)c3s2)c1C ZINC000062349282 525034711 /nfs/dbraw/zinc/03/47/11/525034711.db2.gz ZZUNVLWLLAFCNM-UHFFFAOYSA-N 0 0 288.803 4.816 10 0 CJAERN Cc1cccc(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000062536356 570413242 /nfs/dbraw/zinc/41/32/42/570413242.db2.gz JSUOVDDYHRFCDA-UHFFFAOYSA-N 0 0 251.329 4.927 10 0 CJAERN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 ZINC000062536358 570413222 /nfs/dbraw/zinc/41/32/22/570413222.db2.gz XUJBRJKUPYQZGM-UHFFFAOYSA-N 0 0 251.329 4.927 10 0 CJAERN CC(C)c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000062537341 567219673 /nfs/dbraw/zinc/21/96/73/567219673.db2.gz DVXKTYJVDOGWBO-UHFFFAOYSA-N 0 0 255.292 4.757 10 0 CJAERN CC(C)c1ccc2oc(-c3ccccc3F)nc2c1 ZINC000062537343 567219920 /nfs/dbraw/zinc/21/99/20/567219920.db2.gz DSIDITJEJJZHGA-UHFFFAOYSA-N 0 0 255.292 4.757 10 0 CJAERN CC(C)c1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000062537345 567219871 /nfs/dbraw/zinc/21/98/71/567219871.db2.gz NXMLIPWMHVLLMJ-UHFFFAOYSA-N 0 0 255.292 4.757 10 0 CJAERN Cc1cc2nc(-c3cccc(Cl)c3)oc2cc1C ZINC000062538052 567220311 /nfs/dbraw/zinc/22/03/11/567220311.db2.gz OLAYVSYQFLUAPN-UHFFFAOYSA-N 0 0 257.720 4.765 10 0 CJAERN Cc1cc2nc(-c3ccc(Cl)cc3)oc2cc1C ZINC000062538055 566822307 /nfs/dbraw/zinc/82/23/07/566822307.db2.gz HIIHHKYUQAEFIN-UHFFFAOYSA-N 0 0 257.720 4.765 10 0 CJAERN Cc1cc2nc(-c3ccc(Cl)cc3)oc2c(C)c1 ZINC000062538064 567219903 /nfs/dbraw/zinc/21/99/03/567219903.db2.gz VDWLQVZIXUGYBD-UHFFFAOYSA-N 0 0 257.720 4.765 10 0 CJAERN Cc1ccc2nc(-c3cccc(Cl)c3)oc2c1C ZINC000062538091 567220186 /nfs/dbraw/zinc/22/01/86/567220186.db2.gz JKPBGESZNPAKAP-UHFFFAOYSA-N 0 0 257.720 4.765 10 0 CJAERN Cc1ccc2nc(-c3ccc(Cl)cc3)oc2c1C ZINC000062538094 567219620 /nfs/dbraw/zinc/21/96/20/567219620.db2.gz LDDZJMMKFGBFCJ-UHFFFAOYSA-N 0 0 257.720 4.765 10 0 CJAERN Cc1cc2oc(-c3ccccc3)nc2c(C)c1Cl ZINC000062538110 567220435 /nfs/dbraw/zinc/22/04/35/567220435.db2.gz BLOGFNNBWFROLT-UHFFFAOYSA-N 0 0 257.720 4.765 10 0 CJAERN Clc1cc2nc(-c3ccccc3)oc2c(Cl)c1 ZINC000062540076 567219934 /nfs/dbraw/zinc/21/99/34/567219934.db2.gz RPRLBQUXIINDSG-UHFFFAOYSA-N 0 0 264.111 4.802 10 0 CJAERN COc1cccc(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000062540480 567220174 /nfs/dbraw/zinc/22/01/74/567220174.db2.gz FWARFGJZXCOUDR-UHFFFAOYSA-N 0 0 267.328 4.627 10 0 CJAERN Cc1ccc2c(c1)NC[C@H](c1ccc(C(C)C)cc1)O2 ZINC000062540504 526172675 /nfs/dbraw/zinc/17/26/75/526172675.db2.gz GICUENSTIPUUKR-GOSISDBHSA-N 0 0 267.372 4.664 10 0 CJAERN Cc1ccc2c(c1)NC[C@@H](c1ccc(C(C)C)cc1)O2 ZINC000062540507 526171470 /nfs/dbraw/zinc/17/14/70/526171470.db2.gz GICUENSTIPUUKR-SFHVURJKSA-N 0 0 267.372 4.664 10 0 CJAERN Cc1cccc2c1O[C@H](c1ccc(C(C)C)cc1)CN2 ZINC000062540520 524963338 /nfs/dbraw/zinc/96/33/38/524963338.db2.gz CQXDSDCOJHVZFI-KRWDZBQOSA-N 0 0 267.372 4.664 10 0 CJAERN Cc1cccc2c1O[C@@H](c1ccc(C(C)C)cc1)CN2 ZINC000062540523 524960090 /nfs/dbraw/zinc/96/00/90/524960090.db2.gz CQXDSDCOJHVZFI-QGZVFWFLSA-N 0 0 267.372 4.664 10 0 CJAERN Cc1cc(C)c2c(c1)NC[C@H](c1ccc(Cl)cc1)O2 ZINC000062541906 524346599 /nfs/dbraw/zinc/34/65/99/524346599.db2.gz UIZFSMCAOMYRLV-OAHLLOKOSA-N 0 0 273.763 4.502 10 0 CJAERN Cc1cc(C)c2c(c1)NC[C@@H](c1ccc(Cl)cc1)O2 ZINC000062541908 524345991 /nfs/dbraw/zinc/34/59/91/524345991.db2.gz UIZFSMCAOMYRLV-HNNXBMFYSA-N 0 0 273.763 4.502 10 0 CJAERN Cc1ccc([C@H]2CNc3cc(Cl)cc(C)c3O2)cc1 ZINC000062541912 526027034 /nfs/dbraw/zinc/02/70/34/526027034.db2.gz BENKYVXALTVLGP-OAHLLOKOSA-N 0 0 273.763 4.502 10 0 CJAERN Clc1ccc([C@@H]2CNc3cc(Cl)ccc3O2)cc1 ZINC000062557488 526960729 /nfs/dbraw/zinc/96/07/29/526960729.db2.gz IGTWGYVKLRDQLB-AWEZNQCLSA-N 0 0 280.154 4.539 10 0 CJAERN Clc1ccc([C@H]2CNc3cc(Cl)ccc3O2)cc1 ZINC000062557492 526964980 /nfs/dbraw/zinc/96/49/80/526964980.db2.gz IGTWGYVKLRDQLB-CQSZACIVSA-N 0 0 280.154 4.539 10 0 CJAERN Clc1ccc([C@@H]2CNc3cccc(Cl)c3O2)cc1 ZINC000062557501 526961641 /nfs/dbraw/zinc/96/16/41/526961641.db2.gz XCMUREFSVKCZII-ZDUSSCGKSA-N 0 0 280.154 4.539 10 0 CJAERN Clc1ccc([C@H]2CNc3cccc(Cl)c3O2)cc1 ZINC000062557503 526965069 /nfs/dbraw/zinc/96/50/69/526965069.db2.gz XCMUREFSVKCZII-CYBMUJFWSA-N 0 0 280.154 4.539 10 0 CJAERN CCc1ccc2c(c1)NC[C@H](c1ccc(C(C)C)cc1)O2 ZINC000062557706 524059043 /nfs/dbraw/zinc/05/90/43/524059043.db2.gz MANPIIDVMLAIRM-LJQANCHMSA-N 0 0 281.399 4.918 10 0 CJAERN CCc1ccc2c(c1)NC[C@@H](c1ccc(C(C)C)cc1)O2 ZINC000062557708 524059160 /nfs/dbraw/zinc/05/91/60/524059160.db2.gz MANPIIDVMLAIRM-IBGZPJMESA-N 0 0 281.399 4.918 10 0 CJAERN Cc1ccc([C@@H]2CNc3cc(C(C)(C)C)ccc3O2)cc1 ZINC000062557711 525839107 /nfs/dbraw/zinc/83/91/07/525839107.db2.gz HJNNVLBEMRSGDN-SFHVURJKSA-N 0 0 281.399 4.838 10 0 CJAERN Cc1ccc([C@H]2CNc3cc(C(C)(C)C)ccc3O2)cc1 ZINC000062557714 526028075 /nfs/dbraw/zinc/02/80/75/526028075.db2.gz HJNNVLBEMRSGDN-GOSISDBHSA-N 0 0 281.399 4.838 10 0 CJAERN Cc1cc(C)c2c(c1)NC[C@H](c1ccc(C(C)C)cc1)O2 ZINC000062557724 524346972 /nfs/dbraw/zinc/34/69/72/524346972.db2.gz YFRHCNZBVVRAPF-GOSISDBHSA-N 0 0 281.399 4.972 10 0 CJAERN Cc1cc(C)c2c(c1)NC[C@@H](c1ccc(C(C)C)cc1)O2 ZINC000062557727 524345636 /nfs/dbraw/zinc/34/56/36/524345636.db2.gz YFRHCNZBVVRAPF-SFHVURJKSA-N 0 0 281.399 4.972 10 0 CJAERN Fc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 ZINC000062557912 567219660 /nfs/dbraw/zinc/21/96/60/567219660.db2.gz PQSMGWCQXSBEGP-UHFFFAOYSA-N 0 0 282.101 4.941 10 0 CJAERN Fc1ccccc1-c1nc2cc(Cl)cc(Cl)c2o1 ZINC000062557915 566821568 /nfs/dbraw/zinc/82/15/68/566821568.db2.gz JUHOLSUWCBXULS-UHFFFAOYSA-N 0 0 282.101 4.941 10 0 CJAERN Fc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 ZINC000062557918 175669365 /nfs/dbraw/zinc/66/93/65/175669365.db2.gz NJSGPZNKHHPABG-UHFFFAOYSA-N 0 0 282.101 4.941 10 0 CJAERN CC(C)(C)c1ccc2c(c1)NC[C@H](c1ccc(F)cc1)O2 ZINC000062559196 519054243 /nfs/dbraw/zinc/05/42/43/519054243.db2.gz QZLVXAFNQRYDME-QGZVFWFLSA-N 0 0 285.362 4.669 10 0 CJAERN CC(C)(C)c1ccc2c(c1)NC[C@@H](c1ccc(F)cc1)O2 ZINC000062559201 519053482 /nfs/dbraw/zinc/05/34/82/519053482.db2.gz QZLVXAFNQRYDME-KRWDZBQOSA-N 0 0 285.362 4.669 10 0 CJAERN Cc1cccc2nc(-c3cccc(Br)c3)oc21 ZINC000062559699 567220163 /nfs/dbraw/zinc/22/01/63/567220163.db2.gz YHJVQNYEPNLTQC-UHFFFAOYSA-N 0 0 288.144 4.566 10 0 CJAERN Cc1cccc2nc(-c3ccc(Br)cc3)oc21 ZINC000062559704 175669277 /nfs/dbraw/zinc/66/92/77/175669277.db2.gz AEDZYGQEILPHOR-UHFFFAOYSA-N 0 0 288.144 4.566 10 0 CJAERN Cc1ccc([C@@H]2CNc3cc(C(F)(F)F)ccc3O2)cc1 ZINC000062560752 525839765 /nfs/dbraw/zinc/83/97/65/525839765.db2.gz HRHVEBVXJGMEOG-HNNXBMFYSA-N 0 0 293.288 4.559 10 0 CJAERN Cc1ccc([C@H]2CNc3cc(C(F)(F)F)ccc3O2)cc1 ZINC000062560753 526027430 /nfs/dbraw/zinc/02/74/30/526027430.db2.gz HRHVEBVXJGMEOG-OAHLLOKOSA-N 0 0 293.288 4.559 10 0 CJAERN Cc1cc(Cl)cc2c1O[C@H](c1ccc(Cl)cc1)CN2 ZINC000062560876 524880051 /nfs/dbraw/zinc/88/00/51/524880051.db2.gz YRNIZWKLPSFISH-AWEZNQCLSA-N 0 0 294.181 4.847 10 0 CJAERN Cc1cc(Cl)cc2c1O[C@@H](c1ccc(Cl)cc1)CN2 ZINC000062560879 524880083 /nfs/dbraw/zinc/88/00/83/524880083.db2.gz YRNIZWKLPSFISH-CQSZACIVSA-N 0 0 294.181 4.847 10 0 CJAERN CC(C)c1cc(Cl)nc(Cc2ccc(F)cc2Cl)n1 ZINC000062607107 519833030 /nfs/dbraw/zinc/83/30/30/519833030.db2.gz OZNSTXOCTFVQPZ-UHFFFAOYSA-N 0 0 299.176 4.637 10 0 CJAERN O=C(Cc1ccc(F)cc1Cl)CC1CCCCC1 ZINC000062607138 527233058 /nfs/dbraw/zinc/23/30/58/527233058.db2.gz FZRUTVHZPNAZKV-UHFFFAOYSA-N 0 0 268.759 4.561 10 0 CJAERN CCC(CC)c1noc(N)c1-c1ccc(F)cc1Cl ZINC000062609910 521636618 /nfs/dbraw/zinc/63/66/18/521636618.db2.gz GYDUEBMGMHEYJV-UHFFFAOYSA-N 0 0 282.746 4.620 10 0 CJAERN CCC[C@@H](C)c1noc(N)c1-c1ccc(F)cc1Cl ZINC000062609925 520675956 /nfs/dbraw/zinc/67/59/56/520675956.db2.gz KCQQWRHEWBNCBM-MRVPVSSYSA-N 0 0 282.746 4.620 10 0 CJAERN CCC[C@H](C)c1noc(N)c1-c1ccc(F)cc1Cl ZINC000062609929 521071104 /nfs/dbraw/zinc/07/11/04/521071104.db2.gz KCQQWRHEWBNCBM-QMMMGPOBSA-N 0 0 282.746 4.620 10 0 CJAERN Fc1ccc(C(F)(F)F)cc1NCc1ccsc1 ZINC000062655418 526326821 /nfs/dbraw/zinc/32/68/21/526326821.db2.gz STFOEGVGLJMFLG-UHFFFAOYSA-N 0 0 275.270 4.518 10 0 CJAERN C[C@H](Nc1cc(C(F)(F)F)ccc1F)c1ccco1 ZINC000062655481 525641403 /nfs/dbraw/zinc/64/14/03/525641403.db2.gz OTERNPOXMSLXFY-QMMMGPOBSA-N 0 0 273.229 4.611 10 0 CJAERN C[C@@H](Nc1cc(C(F)(F)F)ccc1F)c1ccco1 ZINC000062655484 525697114 /nfs/dbraw/zinc/69/71/14/525697114.db2.gz OTERNPOXMSLXFY-MRVPVSSYSA-N 0 0 273.229 4.611 10 0 CJAERN CC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2F)s1 ZINC000062657959 518294399 /nfs/dbraw/zinc/29/43/99/518294399.db2.gz DZEZUFBQLRQJNC-UHFFFAOYSA-N 0 0 288.265 4.776 10 0 CJAERN Cc1ccc(F)cc1[C@H](O)c1cc(Cl)sc1Cl ZINC000062666134 524874721 /nfs/dbraw/zinc/87/47/21/524874721.db2.gz JLIAJTYZZMDYPX-NSHDSACASA-N 0 0 291.174 4.584 10 0 CJAERN Cc1ccc(F)cc1[C@@H](O)c1cc(Cl)sc1Cl ZINC000062666136 524875013 /nfs/dbraw/zinc/87/50/13/524875013.db2.gz JLIAJTYZZMDYPX-LLVKDONJSA-N 0 0 291.174 4.584 10 0 CJAERN Cc1ccc(Cl)cc1NCc1cc(F)c(F)c(F)c1 ZINC000062705443 524756681 /nfs/dbraw/zinc/75/66/81/524756681.db2.gz ORQXSAPCDZWGSY-UHFFFAOYSA-N 0 0 285.696 4.678 10 0 CJAERN Fc1ccc(NCc2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC000062706183 526354659 /nfs/dbraw/zinc/35/46/59/526354659.db2.gz QJKDCHZZHZPXNA-UHFFFAOYSA-N 0 0 289.659 4.509 10 0 CJAERN CCCCSc1ccc([C@@H](O)c2ccccc2)cc1 ZINC000062723861 175673793 /nfs/dbraw/zinc/67/37/93/175673793.db2.gz GTXACQXNTRRDRK-KRWDZBQOSA-N 0 0 272.413 4.661 10 0 CJAERN Cc1c(N)cccc1Nc1cc(Cl)ccc1Cl ZINC000062724321 525821708 /nfs/dbraw/zinc/82/17/08/525821708.db2.gz JKRHMOKXSAKTGK-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN Cc1c2ccc(F)cc2oc1C(=O)C1CCCCC1 ZINC000062749421 525963440 /nfs/dbraw/zinc/96/34/40/525963440.db2.gz XJZPVNLLTJLKAK-UHFFFAOYSA-N 0 0 260.308 4.643 10 0 CJAERN Cc1c2ccc(F)cc2oc1[C@H](N)c1ccc(Cl)s1 ZINC000062749523 525963172 /nfs/dbraw/zinc/96/31/72/525963172.db2.gz YGVVAMWLQRDLCH-CYBMUJFWSA-N 0 0 295.766 4.643 10 0 CJAERN Cc1c2ccc(F)cc2oc1[C@@H](N)c1ccc(Cl)s1 ZINC000062749524 525963923 /nfs/dbraw/zinc/96/39/23/525963923.db2.gz YGVVAMWLQRDLCH-ZDUSSCGKSA-N 0 0 295.766 4.643 10 0 CJAERN C[C@@H](Cc1ccco1)Nc1ccc2sccc2c1 ZINC000062770334 524929787 /nfs/dbraw/zinc/92/97/87/524929787.db2.gz XXPAXJZRQJQDRN-NSHDSACASA-N 0 0 257.358 4.537 10 0 CJAERN C[C@H](Cc1ccco1)Nc1ccc2sccc2c1 ZINC000062770335 524748502 /nfs/dbraw/zinc/74/85/02/524748502.db2.gz XXPAXJZRQJQDRN-LLVKDONJSA-N 0 0 257.358 4.537 10 0 CJAERN Clc1ccc2nc(-c3cccs3)nc(Cl)c2c1 ZINC000062772452 175674008 /nfs/dbraw/zinc/67/40/08/175674008.db2.gz SAQZWNASPHJXFU-UHFFFAOYSA-N 0 0 281.167 4.665 10 0 CJAERN Cc1ccc(-c2nc(Cl)c3c(C)cccc3n2)s1 ZINC000062772483 525817028 /nfs/dbraw/zinc/81/70/28/525817028.db2.gz DASODMBIKSPJQZ-UHFFFAOYSA-N 0 0 274.776 4.629 10 0 CJAERN Clc1ccc2c(Cl)nc(-c3ccsc3)nc2c1 ZINC000062772497 526965035 /nfs/dbraw/zinc/96/50/35/526965035.db2.gz XZDJICXAVRBHKZ-UHFFFAOYSA-N 0 0 281.167 4.665 10 0 CJAERN Fc1ccc2c(Cl)nc(-c3ccccc3Cl)nc2c1 ZINC000062772560 526368989 /nfs/dbraw/zinc/36/89/89/526368989.db2.gz ZSKPYRPCGAXPQJ-UHFFFAOYSA-N 0 0 293.128 4.743 10 0 CJAERN Fc1ccc2c(Cl)nc(-c3cccc(Cl)c3)nc2c1 ZINC000062772563 526369468 /nfs/dbraw/zinc/36/94/68/526369468.db2.gz GJWINABFKXFYNE-UHFFFAOYSA-N 0 0 293.128 4.743 10 0 CJAERN Fc1ccc2c(Cl)nc(-c3ccc(Cl)s3)nc2c1 ZINC000062772580 526369414 /nfs/dbraw/zinc/36/94/14/526369414.db2.gz LOCSIRPMLXHOLT-UHFFFAOYSA-N 0 0 299.157 4.804 10 0 CJAERN Cc1ccsc1-c1nc(Cl)c2cc(C)ccc2n1 ZINC000062772610 525811506 /nfs/dbraw/zinc/81/15/06/525811506.db2.gz IAGAEZSWLQZBCP-UHFFFAOYSA-N 0 0 274.776 4.629 10 0 CJAERN CC(C)(C(=O)c1ccccc1Cl)c1ccccc1 ZINC000062772861 518541569 /nfs/dbraw/zinc/54/15/69/518541569.db2.gz UHPVVIAVYIROHK-UHFFFAOYSA-N 0 0 258.748 4.501 10 0 CJAERN CCN[C@@H](c1ccccc1F)c1cccc(Cl)c1Cl ZINC000062774857 520115358 /nfs/dbraw/zinc/11/53/58/520115358.db2.gz PGKUVYXSGFAZTF-HNNXBMFYSA-N 0 0 298.188 4.831 10 0 CJAERN CCN[C@H](c1ccccc1F)c1cccc(Cl)c1Cl ZINC000062774858 520212198 /nfs/dbraw/zinc/21/21/98/520212198.db2.gz PGKUVYXSGFAZTF-OAHLLOKOSA-N 0 0 298.188 4.831 10 0 CJAERN O=C(CC1CCCC1)C1(c2ccccc2)CCCC1 ZINC000062782500 526352809 /nfs/dbraw/zinc/35/28/09/526352809.db2.gz IKTPSRNBITWQCC-UHFFFAOYSA-N 0 0 256.389 4.648 10 0 CJAERN CCC(CC)(C(=O)c1cccs1)c1ccccc1 ZINC000062783383 521383836 /nfs/dbraw/zinc/38/38/36/521383836.db2.gz OSYAZYHWVHXVJW-UHFFFAOYSA-N 0 0 258.386 4.689 10 0 CJAERN CCc1ccc(CC(=O)c2ccc(Cl)cc2F)s1 ZINC000062785162 523910455 /nfs/dbraw/zinc/91/04/55/523910455.db2.gz CZFZNHFJHFZZPU-UHFFFAOYSA-N 0 0 282.767 4.528 10 0 CJAERN O=C(CCCc1ccccc1)c1ccc(Cl)cc1F ZINC000062785197 526459757 /nfs/dbraw/zinc/45/97/57/526459757.db2.gz WUOLPGFAROKOIC-UHFFFAOYSA-N 0 0 276.738 4.685 10 0 CJAERN O[C@@H](CCCc1ccccc1)c1ccc(Cl)cc1F ZINC000062785671 527645667 /nfs/dbraw/zinc/64/56/67/527645667.db2.gz GRMWRJJKCNMRDQ-INIZCTEOSA-N 0 0 278.754 4.535 10 0 CJAERN O[C@H](CCCc1ccccc1)c1ccc(Cl)cc1F ZINC000062785672 527682907 /nfs/dbraw/zinc/68/29/07/527682907.db2.gz GRMWRJJKCNMRDQ-MRXNPFEDSA-N 0 0 278.754 4.535 10 0 CJAERN Cc1ccc(Oc2cc(Cl)ccc2C[NH3+])c(Cl)c1 ZINC000062787216 525471744 /nfs/dbraw/zinc/47/17/44/525471744.db2.gz VQTFWMHKPLGIIO-UHFFFAOYSA-N 0 0 282.170 4.553 10 0 CJAERN Fc1ccc(-c2nc3sccc3c(Cl)n2)cc1Cl ZINC000062790641 526317123 /nfs/dbraw/zinc/31/71/23/526317123.db2.gz SSEGACFFPJCMPW-UHFFFAOYSA-N 0 0 299.157 4.804 10 0 CJAERN CCCc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)n1 ZINC000062791642 521366238 /nfs/dbraw/zinc/36/62/38/521366238.db2.gz VFUQTMLCUMQPGA-UHFFFAOYSA-N 0 0 285.149 4.542 10 0 CJAERN O=C(Cc1ccc(Cl)s1)c1ccc(F)c(Cl)c1 ZINC000062791705 527225055 /nfs/dbraw/zinc/22/50/55/527225055.db2.gz SMCHVYABPATEGN-UHFFFAOYSA-N 0 0 289.158 4.619 10 0 CJAERN CCCc1ccc([C@H](O)c2ccc(F)c(Cl)c2)cc1 ZINC000062792045 521418565 /nfs/dbraw/zinc/41/85/65/521418565.db2.gz PDNFVWVTXFFSGB-INIZCTEOSA-N 0 0 278.754 4.513 10 0 CJAERN CCCc1ccc([C@@H](O)c2ccc(F)c(Cl)c2)cc1 ZINC000062792046 521416438 /nfs/dbraw/zinc/41/64/38/521416438.db2.gz PDNFVWVTXFFSGB-MRXNPFEDSA-N 0 0 278.754 4.513 10 0 CJAERN Clc1nc(-c2cc3ccccc3o2)nc2sccc21 ZINC000062797044 527001752 /nfs/dbraw/zinc/00/17/52/527001752.db2.gz ATMDPBCKAQTMRC-UHFFFAOYSA-N 0 0 286.743 4.758 10 0 CJAERN O=C(c1cc2ccccc2o1)c1cccc(Cl)c1Cl ZINC000062797207 526641730 /nfs/dbraw/zinc/64/17/30/526641730.db2.gz WFQBAQHAHCKHBT-UHFFFAOYSA-N 0 0 291.133 4.971 10 0 CJAERN O[C@@H](c1cc2ccccc2o1)c1cc(Cl)ccc1Cl ZINC000062797271 527666182 /nfs/dbraw/zinc/66/61/82/527666182.db2.gz UAYQZOXITPWNDI-OAHLLOKOSA-N 0 0 293.149 4.821 10 0 CJAERN O[C@H](c1cc2ccccc2o1)c1cc(Cl)ccc1Cl ZINC000062797272 526299074 /nfs/dbraw/zinc/29/90/74/526299074.db2.gz UAYQZOXITPWNDI-HNNXBMFYSA-N 0 0 293.149 4.821 10 0 CJAERN Nc1ccc(SCC2CCCC2)c(C(F)(F)F)c1 ZINC000062835585 527500885 /nfs/dbraw/zinc/50/08/85/527500885.db2.gz MCSSKIVGILXSRS-UHFFFAOYSA-N 0 0 275.339 4.570 10 0 CJAERN CC(C)(C)c1ncc(CNc2cc(Cl)ccc2F)s1 ZINC000062838848 519115206 /nfs/dbraw/zinc/11/52/06/519115206.db2.gz FTHBGGUWHGMOLB-UHFFFAOYSA-N 0 0 298.814 4.845 10 0 CJAERN FC(F)(F)c1ccc(NCc2ccoc2)c(Cl)c1 ZINC000063047146 527683644 /nfs/dbraw/zinc/68/36/44/527683644.db2.gz RFKOSNIUSDGHKF-UHFFFAOYSA-N 0 0 275.657 4.564 10 0 CJAERN CCN(Cc1c(Cl)cccc1Cl)c1cccc(N)c1 ZINC000063108498 521277670 /nfs/dbraw/zinc/27/76/70/521277670.db2.gz UWYVNTCLLLIMNJ-UHFFFAOYSA-N 0 0 295.213 4.602 10 0 CJAERN CC(C)(C)C(=O)Nc1nc2ccc(C(C)(C)C)cc2s1 ZINC000065003009 518593609 /nfs/dbraw/zinc/59/36/09/518593609.db2.gz VNRLPRZRWOWRMR-UHFFFAOYSA-N 0 0 290.432 4.578 10 0 CJAERN Cc1cc(O)cc(-c2cccc(Cl)c2Cl)c1 ZINC000065340527 175710264 /nfs/dbraw/zinc/71/02/64/175710264.db2.gz OHAUYSVWMKJLNY-UHFFFAOYSA-N 0 0 253.128 4.674 10 0 CJAERN Cc1cc(-c2cc(Cl)ccc2Cl)ccc1O ZINC000065340531 175710172 /nfs/dbraw/zinc/71/01/72/175710172.db2.gz HPXPCCNKMPFBKV-UHFFFAOYSA-N 0 0 253.128 4.674 10 0 CJAERN Cc1cc(O)cc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000065340536 175710316 /nfs/dbraw/zinc/71/03/16/175710316.db2.gz XXXOKCHSHMTIAK-UHFFFAOYSA-N 0 0 253.128 4.674 10 0 CJAERN Cc1ccc(-c2cccc(C(F)(F)F)c2F)cc1O ZINC000065340592 175710424 /nfs/dbraw/zinc/71/04/24/175710424.db2.gz NKRXWWTYZAPRHU-UHFFFAOYSA-N 0 0 270.225 4.526 10 0 CJAERN Cc1cc(O)cc(-c2cccc(C(F)(F)F)c2F)c1 ZINC000065340593 175710236 /nfs/dbraw/zinc/71/02/36/175710236.db2.gz MANLWTDEULBLRR-UHFFFAOYSA-N 0 0 270.225 4.526 10 0 CJAERN Cc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1O ZINC000065340595 175710304 /nfs/dbraw/zinc/71/03/04/175710304.db2.gz CDUNLRZIJHUQIE-UHFFFAOYSA-N 0 0 270.225 4.526 10 0 CJAERN Cc1cc(-c2ccccc2OCc2ccccc2)ccc1O ZINC000065340627 175710686 /nfs/dbraw/zinc/71/06/86/175710686.db2.gz JQVYCVXFPDWEPI-UHFFFAOYSA-N 0 0 290.362 4.947 10 0 CJAERN Cc1cc(O)cc(-c2ccccc2OCc2ccccc2)c1 ZINC000065340629 175710800 /nfs/dbraw/zinc/71/08/00/175710800.db2.gz SPCHJRDEIVJDOF-UHFFFAOYSA-N 0 0 290.362 4.947 10 0 CJAERN Oc1ccc(-c2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000065341084 175710956 /nfs/dbraw/zinc/71/09/56/175710956.db2.gz KKEQJYRJWGGSLS-UHFFFAOYSA-N 0 0 257.091 4.505 10 0 CJAERN Oc1cc(-c2cccc(OCc3ccccc3)c2)ccc1F ZINC000065341210 175711524 /nfs/dbraw/zinc/71/15/24/175711524.db2.gz GYFQFHAJMNBUHV-UHFFFAOYSA-N 0 0 294.325 4.777 10 0 CJAERN Oc1cc(-c2ccc(C(F)(F)F)cc2)ccc1Cl ZINC000065343488 175713329 /nfs/dbraw/zinc/71/33/29/175713329.db2.gz GOLZSADUNLXAHQ-UHFFFAOYSA-N 0 0 272.653 4.731 10 0 CJAERN Oc1cc(-c2ccc(F)c(C(F)(F)F)c2)ccc1Cl ZINC000065343599 175712999 /nfs/dbraw/zinc/71/29/99/175712999.db2.gz HKTQOUZJCCZQMZ-UHFFFAOYSA-N 0 0 290.643 4.871 10 0 CJAERN CSc1ccc(-c2cc(O)cc(Br)c2)cc1 ZINC000065343841 175713600 /nfs/dbraw/zinc/71/36/00/175713600.db2.gz ONGVSNHKVLNDDA-UHFFFAOYSA-N 0 0 295.201 4.544 10 0 CJAERN Oc1cc(Br)cc(-c2ccc3ccccc3c2)c1 ZINC000065343859 175713935 /nfs/dbraw/zinc/71/39/35/175713935.db2.gz FUCHZZQEHQKQDO-UHFFFAOYSA-N 0 0 299.167 4.975 10 0 CJAERN Cc1cccc(-c2cc(O)cc(OC(F)(F)F)c2)c1C ZINC000065344037 175713812 /nfs/dbraw/zinc/71/38/12/175713812.db2.gz GWEPOHUIQXTXPV-UHFFFAOYSA-N 0 0 282.261 4.575 10 0 CJAERN CCc1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1 ZINC000065344043 175713857 /nfs/dbraw/zinc/71/38/57/175713857.db2.gz PRYXOMYJYHERJH-UHFFFAOYSA-N 0 0 282.261 4.520 10 0 CJAERN Cc1cc(C)cc(-c2cc(O)cc(C(F)(F)F)c2)c1 ZINC000065344049 175714014 /nfs/dbraw/zinc/71/40/14/175714014.db2.gz BAODOCAGUHCJIX-UHFFFAOYSA-N 0 0 266.262 4.695 10 0 CJAERN Oc1cc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1 ZINC000065344116 175713733 /nfs/dbraw/zinc/71/37/33/175713733.db2.gz BWUNOZCGJMKTEI-UHFFFAOYSA-N 0 0 272.653 4.731 10 0 CJAERN CN1c2ccccc2C=C/C1=C\C=C1/C=Nc2ccccc21 ZINC000066113747 134441530 /nfs/dbraw/zinc/44/15/30/134441530.db2.gz FFNDRAJLGVDTRV-IUBLYSDUSA-N 0 0 284.362 4.833 10 0 CJAERN COc1ccc(CCNc2cc(Cl)cc(Cl)c2)cc1 ZINC000066161567 523978516 /nfs/dbraw/zinc/97/85/16/523978516.db2.gz WYFDDTYICLUCIZ-UHFFFAOYSA-N 0 0 296.197 4.657 10 0 CJAERN Cc1ccc(NCCOc2ccc(Cl)cc2Cl)cc1 ZINC000066162292 525278974 /nfs/dbraw/zinc/27/89/74/525278974.db2.gz XKLJPZMFYCLWMO-UHFFFAOYSA-N 0 0 296.197 4.793 10 0 CJAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C=CCC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000066251951 525353996 /nfs/dbraw/zinc/35/39/96/525353996.db2.gz YPWLKPQPRGJOML-KYQPOWKGSA-N 0 0 274.448 4.556 10 0 CJAERN CC1=C(C/C=C/I)C(C)(C)CCC1 ZINC000067174015 520840451 /nfs/dbraw/zinc/84/04/51/520840451.db2.gz QQYVDLQXENAHLB-WEVVVXLNSA-N 0 0 290.188 4.852 10 0 CJAERN Brc1ccccc1CSCc1ccccc1 ZINC000070130546 175873042 /nfs/dbraw/zinc/87/30/42/175873042.db2.gz YSNFMJODAYJHSX-UHFFFAOYSA-N 0 0 293.229 4.883 10 0 CJAERN Fc1ccc(CSC2CCCC2)c(Br)c1 ZINC000070131013 526343622 /nfs/dbraw/zinc/34/36/22/526343622.db2.gz AKYHJGKRKOEZFR-UHFFFAOYSA-N 0 0 289.213 4.764 10 0 CJAERN Cc1cc(OCC(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000070132433 175873040 /nfs/dbraw/zinc/87/30/40/175873040.db2.gz ROKNVHDAEUSPTD-UHFFFAOYSA-N 0 0 295.165 4.564 10 0 CJAERN Cc1cc(OCC(=O)c2cccc(Cl)c2)ccc1Cl ZINC000070132441 175873244 /nfs/dbraw/zinc/87/32/44/175873244.db2.gz FXINIQMYKWSQDI-UHFFFAOYSA-N 0 0 295.165 4.564 10 0 CJAERN CCCCSCc1cc2ccc(OC)cc2nc1Cl ZINC000070132666 175873269 /nfs/dbraw/zinc/87/32/69/175873269.db2.gz PTHCSBBKYVDLGD-UHFFFAOYSA-N 0 0 295.835 4.930 10 0 CJAERN CC(=O)[C@H](C)Oc1ccc(Cl)cc1C1CCCCC1 ZINC000070133403 175873152 /nfs/dbraw/zinc/87/31/52/175873152.db2.gz KFDUFXKFAZEUKH-LBPRGKRZSA-N 0 0 280.795 4.744 10 0 CJAERN Clc1cnc(NCCC2=CCCCC2)c(Cl)c1 ZINC000070134924 175873667 /nfs/dbraw/zinc/87/36/67/175873667.db2.gz HKXQQSZQUCMVSM-UHFFFAOYSA-N 0 0 271.191 4.691 10 0 CJAERN CCCNc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000070135823 520185807 /nfs/dbraw/zinc/18/58/07/520185807.db2.gz IHLRHHHUDINQHO-UHFFFAOYSA-N 0 0 260.406 4.557 10 0 CJAERN CCCNc1nc(-c2ccc(CC)cc2)c(C)s1 ZINC000070135826 175873773 /nfs/dbraw/zinc/87/37/73/175873773.db2.gz SQNQNIYQMDQUJC-UHFFFAOYSA-N 0 0 260.406 4.503 10 0 CJAERN CCCNc1nc(-c2cccc3ccccc32)cs1 ZINC000070135831 520185968 /nfs/dbraw/zinc/18/59/68/520185968.db2.gz JSXBCYIXEUTYIS-UHFFFAOYSA-N 0 0 268.385 4.785 10 0 CJAERN CCCNc1nc(-c2cccc(Cl)c2)c(C)s1 ZINC000070135833 175873663 /nfs/dbraw/zinc/87/36/63/175873663.db2.gz OMJDLTXMVUQRDQ-UHFFFAOYSA-N 0 0 266.797 4.594 10 0 CJAERN Cc1ccc(-c2csc(NC(C)(C)C)n2)c(C)c1 ZINC000070135865 525783603 /nfs/dbraw/zinc/78/36/03/525783603.db2.gz GGWSOPIQXUTFHS-UHFFFAOYSA-N 0 0 260.406 4.637 10 0 CJAERN Cc1sc(NC(C)(C)C)nc1-c1cccc(Cl)c1 ZINC000070135883 526884858 /nfs/dbraw/zinc/88/48/58/526884858.db2.gz WNZDCNCXSRJYIA-UHFFFAOYSA-N 0 0 280.824 4.982 10 0 CJAERN Cc1ccc(C(=O)[C@@H](C)SC2CCCCC2)cc1C ZINC000070136037 526240146 /nfs/dbraw/zinc/24/01/46/526240146.db2.gz LWWSDHCJRFHESY-CQSZACIVSA-N 0 0 276.445 4.941 10 0 CJAERN Cc1ccc(C(=O)[C@H](C)SC2CCCCC2)cc1C ZINC000070136038 526240909 /nfs/dbraw/zinc/24/09/09/526240909.db2.gz LWWSDHCJRFHESY-AWEZNQCLSA-N 0 0 276.445 4.941 10 0 CJAERN CCc1ccc(-c2csc(NCC(C)C)n2)s1 ZINC000070137130 523857133 /nfs/dbraw/zinc/85/71/33/523857133.db2.gz AQGUDECPSFJAQA-UHFFFAOYSA-N 0 0 266.435 4.502 10 0 CJAERN Cc1cc(C(=O)COc2ccc(Cl)c(C)c2)c(C)s1 ZINC000070137181 526213240 /nfs/dbraw/zinc/21/32/40/526213240.db2.gz HWPPWFHQZQTIHE-UHFFFAOYSA-N 0 0 294.803 4.588 10 0 CJAERN Cc1ccc(C)c(CNc2ccc(C)c(Cl)c2)c1 ZINC000070138624 524107131 /nfs/dbraw/zinc/10/71/31/524107131.db2.gz KNSLWHXWCVHSIU-UHFFFAOYSA-N 0 0 259.780 4.877 10 0 CJAERN Cc1cc(C)cc(CNc2ccc(C)c(Cl)c2)c1 ZINC000070138625 524386630 /nfs/dbraw/zinc/38/66/30/524386630.db2.gz WYWJFQMIZIGPOB-UHFFFAOYSA-N 0 0 259.780 4.877 10 0 CJAERN COc1ccc(Cl)cc1CNc1ccc(Cl)cc1C ZINC000070138638 524211996 /nfs/dbraw/zinc/21/19/96/524211996.db2.gz ZNAAAIBNUJUPSM-UHFFFAOYSA-N 0 0 296.197 4.923 10 0 CJAERN Cc1ccc(C)c(CNc2ccc(Cl)cc2F)c1 ZINC000070138698 524106143 /nfs/dbraw/zinc/10/61/43/524106143.db2.gz MRPAORYSGBLKGI-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1cc(C)cc(CNc2ccc(Cl)cc2F)c1 ZINC000070138699 524386419 /nfs/dbraw/zinc/38/64/19/524386419.db2.gz UPFZKYGYVYTIEE-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1ccc(C)c(CNc2cc(Cl)ccc2C)c1 ZINC000070138983 524106276 /nfs/dbraw/zinc/10/62/76/524106276.db2.gz WCGHRHRKQVHVTM-UHFFFAOYSA-N 0 0 259.780 4.877 10 0 CJAERN CC(=O)c1cc(F)ccc1Oc1ccc(F)c(Cl)c1 ZINC000070168556 518287418 /nfs/dbraw/zinc/28/74/18/518287418.db2.gz ZCCCAIZPZLQOOV-UHFFFAOYSA-N 0 0 282.673 4.613 10 0 CJAERN S=C1N=C(c2ccc(-c3ccccc3)cc2)CS1 ZINC000070210987 526389074 /nfs/dbraw/zinc/38/90/74/526389074.db2.gz APZCKOPUSUAELD-UHFFFAOYSA-N 0 0 269.394 4.766 10 0 CJAERN CCc1ccccc1OCc1ccc(F)cc1Cl ZINC000070236275 175882524 /nfs/dbraw/zinc/88/25/24/175882524.db2.gz DNHZIRBIXSMDDG-UHFFFAOYSA-N 0 0 264.727 4.621 10 0 CJAERN FC(F)(F)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000070236457 175882749 /nfs/dbraw/zinc/88/27/49/175882749.db2.gz ZIDLJOQJMPBMDX-UHFFFAOYSA-N 0 0 286.680 4.938 10 0 CJAERN Cc1ccc(OCc2ccc(C(C)(C)C)cc2)cc1 ZINC000070236477 175882929 /nfs/dbraw/zinc/88/29/29/175882929.db2.gz NNFWLXZYZDNQFT-UHFFFAOYSA-N 0 0 254.373 4.872 10 0 CJAERN Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000070236487 175883040 /nfs/dbraw/zinc/88/30/40/175883040.db2.gz OHPOYCCJVBUOQP-UHFFFAOYSA-N 0 0 267.155 4.881 10 0 CJAERN Fc1ccccc1COc1cccc2ccccc21 ZINC000070236600 175882774 /nfs/dbraw/zinc/88/27/74/175882774.db2.gz FJKCNYXTPLANTE-UHFFFAOYSA-N 0 0 252.288 4.558 10 0 CJAERN Cc1cc(C)cc(COc2ccccc2Br)c1 ZINC000070238287 524385172 /nfs/dbraw/zinc/38/51/72/524385172.db2.gz YLONLXGLCPKWNS-UHFFFAOYSA-N 0 0 291.188 4.645 10 0 CJAERN Cc1cccc2[nH]c(-c3cccc(Cl)c3Cl)nc21 ZINC000070238353 175883318 /nfs/dbraw/zinc/88/33/18/175883318.db2.gz HLTMQEMYMGIHOL-UHFFFAOYSA-N 0 0 277.154 4.845 10 0 CJAERN Cc1ccc(-c2nc3cc(Cl)ccc3[nH]2)c(C)c1 ZINC000070238358 567885507 /nfs/dbraw/zinc/88/55/07/567885507.db2.gz OGFOLHCJRKXEIW-UHFFFAOYSA-N 0 0 256.736 4.500 10 0 CJAERN Cc1ccc(C)c(-c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000070238359 567885395 /nfs/dbraw/zinc/88/53/95/567885395.db2.gz DJFRIIWCVUFARU-UHFFFAOYSA-N 0 0 256.736 4.500 10 0 CJAERN O=C(CC1CCCCC1)c1cccc2ccccc21 ZINC000070941197 176014986 /nfs/dbraw/zinc/01/49/86/176014986.db2.gz YAXPZJFKFWBXRP-UHFFFAOYSA-N 0 0 252.357 4.993 10 0 CJAERN C[C@@H]1CCC[C@H]([C@H](O)c2ccc3ccccc3c2)C1 ZINC000070941226 176014962 /nfs/dbraw/zinc/01/49/62/176014962.db2.gz KWGSZLKEKIWVCM-SKDZVZGDSA-N 0 0 254.373 4.700 10 0 CJAERN C[C@@H]1CCC[C@@H]([C@H](O)c2ccc3ccccc3c2)C1 ZINC000070941228 176015023 /nfs/dbraw/zinc/01/50/23/176015023.db2.gz KWGSZLKEKIWVCM-QBIMZIAESA-N 0 0 254.373 4.700 10 0 CJAERN C[C@@H]1CCC[C@H]([C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000070941262 176015183 /nfs/dbraw/zinc/01/51/83/176015183.db2.gz OFUJQUNMOURMTG-BFVZDQMLSA-N 0 0 273.203 4.853 10 0 CJAERN C[C@@H]1CCC[C@@H]([C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000070941264 176014994 /nfs/dbraw/zinc/01/49/94/176014994.db2.gz OFUJQUNMOURMTG-RULNRJAQSA-N 0 0 273.203 4.853 10 0 CJAERN C[C@H](N[C@@H](C)c1ccc2ccccc2c1)c1nccs1 ZINC000070984412 333841187 /nfs/dbraw/zinc/84/11/87/333841187.db2.gz RTRJVENYVPZVKL-STQMWFEESA-N 0 0 282.412 4.708 10 0 CJAERN C[C@@H](N[C@H](C)c1ccc2ccccc2c1)c1nccs1 ZINC000070984418 333841120 /nfs/dbraw/zinc/84/11/20/333841120.db2.gz RTRJVENYVPZVKL-CHWSQXEVSA-N 0 0 282.412 4.708 10 0 CJAERN Clc1cc(C2CC2)nc2c(Br)cccc12 ZINC000071008816 176020889 /nfs/dbraw/zinc/02/08/89/176020889.db2.gz BMEBGUZGAJXWKL-UHFFFAOYSA-N 0 0 282.568 4.528 10 0 CJAERN Cc1ccc(Cl)cc1Nc1ncccc1Br ZINC000071107461 176033889 /nfs/dbraw/zinc/03/38/89/176033889.db2.gz MBLBQYCLEBZQFC-UHFFFAOYSA-N 0 0 297.583 4.550 10 0 CJAERN Cc1ccc(Cl)cc1Nc1ccc(Br)cn1 ZINC000071107465 176033898 /nfs/dbraw/zinc/03/38/98/176033898.db2.gz VVOVWASKNDUPMK-UHFFFAOYSA-N 0 0 297.583 4.550 10 0 CJAERN Cc1ccc(Nc2ncccc2Br)c(Cl)c1 ZINC000071107475 176034109 /nfs/dbraw/zinc/03/41/09/176034109.db2.gz ZVPMGIZBSOUISY-UHFFFAOYSA-N 0 0 297.583 4.550 10 0 CJAERN Cc1ccc(Nc2ncccc2Br)cc1Cl ZINC000071107522 176033893 /nfs/dbraw/zinc/03/38/93/176033893.db2.gz ZZVSCIZWZAAPSR-UHFFFAOYSA-N 0 0 297.583 4.550 10 0 CJAERN Cc1ccc(Nc2ccc(Br)cn2)cc1Cl ZINC000071107523 176034113 /nfs/dbraw/zinc/03/41/13/176034113.db2.gz OTVSPMOGOHEBCQ-UHFFFAOYSA-N 0 0 297.583 4.550 10 0 CJAERN Cc1c(Cl)cccc1Nc1ccc(Br)cn1 ZINC000071107572 176033891 /nfs/dbraw/zinc/03/38/91/176033891.db2.gz PJLYVNODDYVFRA-UHFFFAOYSA-N 0 0 297.583 4.550 10 0 CJAERN Cc1ccc(Sc2ccc(Br)cn2)cc1C ZINC000071108017 176033773 /nfs/dbraw/zinc/03/37/73/176033773.db2.gz ZVAPWPQNPCRBSJ-UHFFFAOYSA-N 0 0 294.217 4.612 10 0 CJAERN C[C@@H]1CCC[C@H](Sc2ncccc2Br)C1 ZINC000071108090 176033856 /nfs/dbraw/zinc/03/38/56/176033856.db2.gz BPUKMLCNMMNOSL-ZJUUUORDSA-N 0 0 286.238 4.515 10 0 CJAERN C[C@H]1CCC[C@H](Sc2ncccc2Br)C1 ZINC000071108094 176033813 /nfs/dbraw/zinc/03/38/13/176033813.db2.gz BPUKMLCNMMNOSL-UWVGGRQHSA-N 0 0 286.238 4.515 10 0 CJAERN C[C@@H]1CCC[C@@H](Sc2ncccc2Br)C1 ZINC000071108098 176034134 /nfs/dbraw/zinc/03/41/34/176034134.db2.gz BPUKMLCNMMNOSL-NXEZZACHSA-N 0 0 286.238 4.515 10 0 CJAERN C[C@H]1CCC[C@@H](Sc2ncccc2Br)C1 ZINC000071108104 176033910 /nfs/dbraw/zinc/03/39/10/176033910.db2.gz BPUKMLCNMMNOSL-VHSXEESVSA-N 0 0 286.238 4.515 10 0 CJAERN CCN(Cc1cc(Br)cs1)c1ccccc1 ZINC000071108357 176034035 /nfs/dbraw/zinc/03/40/35/176034035.db2.gz QDKHJYNDFLNFRQ-UHFFFAOYSA-N 0 0 296.233 4.537 10 0 CJAERN Cc1cccc(OCc2sccc2Br)c1C ZINC000071108940 176033824 /nfs/dbraw/zinc/03/38/24/176033824.db2.gz HDUVERHYIFILDW-UHFFFAOYSA-N 0 0 297.217 4.706 10 0 CJAERN Cc1ccc(C)c(OCc2cc(Br)cs2)c1 ZINC000071108949 176034639 /nfs/dbraw/zinc/03/46/39/176034639.db2.gz SDSAPDBUZNNEQH-UHFFFAOYSA-N 0 0 297.217 4.706 10 0 CJAERN Cc1ccc(OCc2ccc(Br)s2)cc1C ZINC000071108964 176034419 /nfs/dbraw/zinc/03/44/19/176034419.db2.gz SJRZBCKYFLTHIP-UHFFFAOYSA-N 0 0 297.217 4.706 10 0 CJAERN Cc1cc(C)cc(OCc2sccc2Br)c1 ZINC000071108983 176034534 /nfs/dbraw/zinc/03/45/34/176034534.db2.gz SQOKKDFHMCYDFN-UHFFFAOYSA-N 0 0 297.217 4.706 10 0 CJAERN CC1CCC(OCc2cccc(Br)c2)CC1 ZINC000071109037 176034367 /nfs/dbraw/zinc/03/43/67/176034367.db2.gz YWIBVCLOQPGGCP-UHFFFAOYSA-N 0 0 283.209 4.544 10 0 CJAERN C[C@@H]1CCCC[C@@H]1OCc1ccccc1Br ZINC000071109091 176034471 /nfs/dbraw/zinc/03/44/71/176034471.db2.gz YZYVUDWJAIQALC-RISCZKNCSA-N 0 0 283.209 4.544 10 0 CJAERN C[C@H]1CCCC[C@@H]1OCc1ccccc1Br ZINC000071109095 176034253 /nfs/dbraw/zinc/03/42/53/176034253.db2.gz YZYVUDWJAIQALC-FZMZJTMJSA-N 0 0 283.209 4.544 10 0 CJAERN C[C@@H]1CCCC[C@H]1OCc1ccccc1Br ZINC000071109100 176034255 /nfs/dbraw/zinc/03/42/55/176034255.db2.gz YZYVUDWJAIQALC-BXUZGUMPSA-N 0 0 283.209 4.544 10 0 CJAERN C[C@H]1CCCC[C@H]1OCc1ccccc1Br ZINC000071109106 176034655 /nfs/dbraw/zinc/03/46/55/176034655.db2.gz YZYVUDWJAIQALC-SMDDNHRTSA-N 0 0 283.209 4.544 10 0 CJAERN CC(C)C[C@@H](C)OCc1ccc(F)cc1Br ZINC000071109151 176034530 /nfs/dbraw/zinc/03/45/30/176034530.db2.gz SCAQDIUOMXYJLZ-SNVBAGLBSA-N 0 0 289.188 4.539 10 0 CJAERN CC(C)C[C@H](C)OCc1ccc(F)cc1Br ZINC000071109156 176034407 /nfs/dbraw/zinc/03/44/07/176034407.db2.gz SCAQDIUOMXYJLZ-JTQLQIEISA-N 0 0 289.188 4.539 10 0 CJAERN C[C@@H]1CCC[C@H](OCc2ccccc2Br)C1 ZINC000071109316 176034532 /nfs/dbraw/zinc/03/45/32/176034532.db2.gz ONCYMSTYSKVDSE-YPMHNXCESA-N 0 0 283.209 4.544 10 0 CJAERN C[C@H]1CCC[C@H](OCc2ccccc2Br)C1 ZINC000071109320 176034458 /nfs/dbraw/zinc/03/44/58/176034458.db2.gz ONCYMSTYSKVDSE-AAEUAGOBSA-N 0 0 283.209 4.544 10 0 CJAERN C[C@@H]1CCC[C@@H](OCc2ccccc2Br)C1 ZINC000071109325 176034551 /nfs/dbraw/zinc/03/45/51/176034551.db2.gz ONCYMSTYSKVDSE-DGCLKSJQSA-N 0 0 283.209 4.544 10 0 CJAERN C[C@H]1CCC[C@@H](OCc2ccccc2Br)C1 ZINC000071109329 176034350 /nfs/dbraw/zinc/03/43/50/176034350.db2.gz ONCYMSTYSKVDSE-WCQYABFASA-N 0 0 283.209 4.544 10 0 CJAERN Brc1csc(COCC2CCCCC2)c1 ZINC000071109457 176034314 /nfs/dbraw/zinc/03/43/14/176034314.db2.gz DZGGVKQXRNJCCJ-UHFFFAOYSA-N 0 0 289.238 4.608 10 0 CJAERN Brc1cccc(COCC2CCCCC2)c1 ZINC000071109475 176034629 /nfs/dbraw/zinc/03/46/29/176034629.db2.gz BGMLJKQTAZMLRS-UHFFFAOYSA-N 0 0 283.209 4.546 10 0 CJAERN Brc1csc(CSCc2ccccc2)c1 ZINC000071109571 176034406 /nfs/dbraw/zinc/03/44/06/176034406.db2.gz ABCMZQYEOUYRQQ-UHFFFAOYSA-N 0 0 299.258 4.944 10 0 CJAERN Brc1ccc(CSCC2CCCC2)cc1 ZINC000071110020 176034542 /nfs/dbraw/zinc/03/45/42/176034542.db2.gz LUFSXZNKJAFUOA-UHFFFAOYSA-N 0 0 285.250 4.873 10 0 CJAERN Cc1ccc(OCCC(C)(C)C)c(Br)c1 ZINC000071136738 176036336 /nfs/dbraw/zinc/03/63/36/176036336.db2.gz QWONNPYIQWJQET-UHFFFAOYSA-N 0 0 271.198 4.573 10 0 CJAERN Cc1c(Cl)nnc(Oc2ccc(C(C)C)cc2)c1C ZINC000071170739 176051646 /nfs/dbraw/zinc/05/16/46/176051646.db2.gz GMMRZJFBLZOQTQ-UHFFFAOYSA-N 0 0 276.767 4.663 10 0 CJAERN Cc1cc(Cl)ccc1Oc1nnc(Cl)c(C)c1C ZINC000071170794 176051590 /nfs/dbraw/zinc/05/15/90/176051590.db2.gz HTTQJVTYBILABT-UHFFFAOYSA-N 0 0 283.158 4.501 10 0 CJAERN Cc1ccc(Oc2nnc(Cl)c(C)c2C)c(Cl)c1 ZINC000071170937 176051385 /nfs/dbraw/zinc/05/13/85/176051385.db2.gz OKBPNODHXVZQJG-UHFFFAOYSA-N 0 0 283.158 4.501 10 0 CJAERN CC(C)(C)c1ccccc1Nc1ccc(Cl)cc1N ZINC000071174141 176053593 /nfs/dbraw/zinc/05/35/93/176053593.db2.gz LRTLFPORUIQRIX-UHFFFAOYSA-N 0 0 274.795 4.963 10 0 CJAERN CC(C)(C)c1ccccc1Nc1ccc(N)cc1Cl ZINC000071174150 176054002 /nfs/dbraw/zinc/05/40/02/176054002.db2.gz MJFKIPNZFZIVNR-UHFFFAOYSA-N 0 0 274.795 4.963 10 0 CJAERN Cc1c(Cl)nnc(N[C@@H](C)c2ccc(Cl)cc2)c1C ZINC000071186833 176060280 /nfs/dbraw/zinc/06/02/80/176060280.db2.gz OYCMJDHPWSBTSL-JTQLQIEISA-N 0 0 296.201 4.573 10 0 CJAERN Cc1c(Cl)nnc(N[C@H](C)c2ccc(Cl)cc2)c1C ZINC000071186834 176060254 /nfs/dbraw/zinc/06/02/54/176060254.db2.gz OYCMJDHPWSBTSL-SNVBAGLBSA-N 0 0 296.201 4.573 10 0 CJAERN Cc1c(Cl)nnc(Sc2ccccc2Cl)c1C ZINC000071187208 176060600 /nfs/dbraw/zinc/06/06/00/176060600.db2.gz SVWLVCMBVJAFJN-UHFFFAOYSA-N 0 0 285.199 4.551 10 0 CJAERN Cc1c(Cl)nnc(Sc2cccc(Cl)c2)c1C ZINC000071187240 176060583 /nfs/dbraw/zinc/06/05/83/176060583.db2.gz QHSPLTCAEZPJBO-UHFFFAOYSA-N 0 0 285.199 4.551 10 0 CJAERN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000071261374 176096256 /nfs/dbraw/zinc/09/62/56/176096256.db2.gz JGZOPQFHUSFDPE-MRVPVSSYSA-N 0 0 290.190 4.579 10 0 CJAERN Cc1ccc2c(c1)[nH]c(=S)n2[C@@H](C)Cc1cccs1 ZINC000071271403 176104261 /nfs/dbraw/zinc/10/42/61/176104261.db2.gz CVGZNTAMYGWVEZ-NSHDSACASA-N 0 0 288.441 4.873 10 0 CJAERN Cc1ccc2c(c1)[nH]c(=S)n2[C@H](C)Cc1cccs1 ZINC000071271405 176104153 /nfs/dbraw/zinc/10/41/53/176104153.db2.gz CVGZNTAMYGWVEZ-LLVKDONJSA-N 0 0 288.441 4.873 10 0 CJAERN Cc1ccc2oc([C@H](N)c3ccc(Cl)s3)cc2c1 ZINC000071406681 176156367 /nfs/dbraw/zinc/15/63/67/176156367.db2.gz FPZVEIXXBMGHGN-AWEZNQCLSA-N 0 0 277.776 4.504 10 0 CJAERN Cc1ccc2oc([C@@H](N)c3ccc(Cl)s3)cc2c1 ZINC000071406682 176156105 /nfs/dbraw/zinc/15/61/05/176156105.db2.gz FPZVEIXXBMGHGN-CQSZACIVSA-N 0 0 277.776 4.504 10 0 CJAERN Cc1ccncc1N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000071412944 176158231 /nfs/dbraw/zinc/15/82/31/176158231.db2.gz FWNJHOZIZGLGRK-AWEZNQCLSA-N 0 0 254.377 4.687 10 0 CJAERN Cc1ccncc1N[C@H](C)c1ccc(C(C)C)cc1 ZINC000071412945 176158137 /nfs/dbraw/zinc/15/81/37/176158137.db2.gz FWNJHOZIZGLGRK-CQSZACIVSA-N 0 0 254.377 4.687 10 0 CJAERN Cc1ccncc1N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000071413249 176158639 /nfs/dbraw/zinc/15/86/39/176158639.db2.gz NGIGUVOCROBYKN-JTQLQIEISA-N 0 0 281.186 4.870 10 0 CJAERN Cc1ccncc1N[C@H](C)c1cc(Cl)ccc1Cl ZINC000071413250 176158548 /nfs/dbraw/zinc/15/85/48/176158548.db2.gz NGIGUVOCROBYKN-SNVBAGLBSA-N 0 0 281.186 4.870 10 0 CJAERN Cc1ccncc1N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000071413778 176158928 /nfs/dbraw/zinc/15/89/28/176158928.db2.gz RYWYHODEFOBQFL-MRXNPFEDSA-N 0 0 272.779 4.607 10 0 CJAERN Cc1ccncc1N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000071413779 176158888 /nfs/dbraw/zinc/15/88/88/176158888.db2.gz RYWYHODEFOBQFL-INIZCTEOSA-N 0 0 272.779 4.607 10 0 CJAERN CC(C)c1ccc(CC(C)(C)Br)cc1 ZINC000071424249 176160772 /nfs/dbraw/zinc/16/07/72/176160772.db2.gz BUKDLRDZIVJREU-UHFFFAOYSA-N 0 0 255.199 4.526 10 0 CJAERN CC(C)(Br)Cc1ccc(Cl)cc1Cl ZINC000071424255 176161043 /nfs/dbraw/zinc/16/10/43/176161043.db2.gz ZTSNKNKLPNPGQA-UHFFFAOYSA-N 0 0 282.008 4.709 10 0 CJAERN CC(C)(Br)Cc1ccc(Cl)c(Cl)c1 ZINC000071424306 176160972 /nfs/dbraw/zinc/16/09/72/176160972.db2.gz PNZHBXATHBSWAR-UHFFFAOYSA-N 0 0 282.008 4.709 10 0 CJAERN Cc1ccc2c(c1)c([C@@H](C)O)c(Cl)n2Cc1ccccc1 ZINC000071465067 176181253 /nfs/dbraw/zinc/18/12/53/176181253.db2.gz YZWVXVIGAPEJJS-CYBMUJFWSA-N 0 0 299.801 4.705 10 0 CJAERN Cc1ccc2c(c1)c([C@H](C)O)c(Cl)n2Cc1ccccc1 ZINC000071465068 176181154 /nfs/dbraw/zinc/18/11/54/176181154.db2.gz YZWVXVIGAPEJJS-ZDUSSCGKSA-N 0 0 299.801 4.705 10 0 CJAERN Cc1cccc2c([C@@H](C)O)c(Cl)n(Cc3ccccc3)c21 ZINC000071465285 176181534 /nfs/dbraw/zinc/18/15/34/176181534.db2.gz AYGKSIWZXGVJTN-CYBMUJFWSA-N 0 0 299.801 4.705 10 0 CJAERN Cc1cccc2c([C@H](C)O)c(Cl)n(Cc3ccccc3)c21 ZINC000071465286 176181524 /nfs/dbraw/zinc/18/15/24/176181524.db2.gz AYGKSIWZXGVJTN-ZDUSSCGKSA-N 0 0 299.801 4.705 10 0 CJAERN Cc1ccc2c(C=O)c(Cl)n(Cc3ccccc3)c2c1C ZINC000071465644 176181762 /nfs/dbraw/zinc/18/17/62/176181762.db2.gz FJUNXELDZOPWLZ-UHFFFAOYSA-N 0 0 297.785 4.772 10 0 CJAERN Cc1cc2c(C=O)c(Cl)n(Cc3ccccc3)c2c(C)c1 ZINC000071465702 176181793 /nfs/dbraw/zinc/18/17/93/176181793.db2.gz DUMIOQLDJMZYES-UHFFFAOYSA-N 0 0 297.785 4.772 10 0 CJAERN Cc1cc2c(C=O)c(Cl)n(Cc3ccccc3)c2cc1C ZINC000071465769 176181946 /nfs/dbraw/zinc/18/19/46/176181946.db2.gz FTRWXQYIPXWPGO-UHFFFAOYSA-N 0 0 297.785 4.772 10 0 CJAERN Cc1cc2c(c(C=O)c(Cl)n2Cc2ccccc2)c(C)c1 ZINC000071465835 176181869 /nfs/dbraw/zinc/18/18/69/176181869.db2.gz VMZQUEOUYXZCTQ-UHFFFAOYSA-N 0 0 297.785 4.772 10 0 CJAERN Cc1ccc2c(c1)n(Cc1ccccc1)c(Cl)c2[C@@H](C)O ZINC000071466394 176182518 /nfs/dbraw/zinc/18/25/18/176182518.db2.gz HUUKMEFYKMIRSJ-CYBMUJFWSA-N 0 0 299.801 4.705 10 0 CJAERN Cc1ccc2c(c1)n(Cc1ccccc1)c(Cl)c2[C@H](C)O ZINC000071466395 176182355 /nfs/dbraw/zinc/18/23/55/176182355.db2.gz HUUKMEFYKMIRSJ-ZDUSSCGKSA-N 0 0 299.801 4.705 10 0 CJAERN CC(=O)c1c(Cl)n(Cc2ccccc2)c2cc(C)ccc21 ZINC000071466396 176182473 /nfs/dbraw/zinc/18/24/73/176182473.db2.gz CJGZUMHPKZJAMH-UHFFFAOYSA-N 0 0 297.785 4.854 10 0 CJAERN Clc1ccc2nc(-c3ccc(Cl)c(Cl)c3)cn2c1 ZINC000071571103 176197348 /nfs/dbraw/zinc/19/73/48/176197348.db2.gz OVTXJPFDHATARO-UHFFFAOYSA-N 0 0 297.572 4.962 10 0 CJAERN FC(F)(F)c1ccc2nc(-c3ccc(Cl)cc3)cn2c1 ZINC000071571239 176197375 /nfs/dbraw/zinc/19/73/75/176197375.db2.gz TVOZGEXHUBTVLO-UHFFFAOYSA-N 0 0 296.679 4.674 10 0 CJAERN CC(=O)c1ccccc1Oc1ccc2c(c1)CCCC2 ZINC000071598493 176222459 /nfs/dbraw/zinc/22/24/59/176222459.db2.gz JBWCBPIWWJZMBZ-UHFFFAOYSA-N 0 0 266.340 4.560 10 0 CJAERN CC(C)c1ccc(-c2cc(Cl)nc(Cl)n2)cc1 ZINC000071598897 176223179 /nfs/dbraw/zinc/22/31/79/176223179.db2.gz AEXUUSGNTHYTNQ-UHFFFAOYSA-N 0 0 267.159 4.574 10 0 CJAERN Cc1cc(Cl)ccc1Nc1ccc(Cl)cc1N ZINC000071598901 176222877 /nfs/dbraw/zinc/22/28/77/176222877.db2.gz USTQJHFQQPEULW-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN Cc1cc(Cl)ccc1Nc1ccc(N)cc1Cl ZINC000071598902 176222978 /nfs/dbraw/zinc/22/29/78/176222978.db2.gz ARZWTPVZKFTXON-UHFFFAOYSA-N 0 0 267.159 4.628 10 0 CJAERN CC(C)c1ccc(-c2nc3ccc(N)cc3s2)cc1 ZINC000071599898 176225187 /nfs/dbraw/zinc/22/51/87/176225187.db2.gz BHPXVXVYJPUVLW-UHFFFAOYSA-N 0 0 268.385 4.669 10 0 CJAERN COc1cc(Cl)c(C(=O)CC(C)(C)C)cc1Cl ZINC000071615973 176234711 /nfs/dbraw/zinc/23/47/11/176234711.db2.gz SXXJBUNBEZXZMC-UHFFFAOYSA-N 0 0 275.175 4.621 10 0 CJAERN Brc1ccc(/C=C\c2ccccc2)cc1 ZINC000071617851 176234836 /nfs/dbraw/zinc/23/48/36/176234836.db2.gz ZZMMKLVIBZWGPK-SREVYHEPSA-N 0 0 259.146 4.620 10 0 CJAERN Clc1ccc(N(Cl)Cl)c(Cl)c1Cl ZINC000071618185 264253359 /nfs/dbraw/zinc/25/33/59/264253359.db2.gz TVFANPOWRYDLJQ-UHFFFAOYSA-N 0 0 265.354 4.761 10 0 CJAERN CC(=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000071630339 176235973 /nfs/dbraw/zinc/23/59/73/176235973.db2.gz DLXNOHBFYJTGEI-UHFFFAOYSA-N 0 0 279.364 4.680 10 0 CJAERN CC(C)(C)c1ccc(-c2cc(Cl)nc(Cl)n2)cc1 ZINC000071631523 176236529 /nfs/dbraw/zinc/23/65/29/176236529.db2.gz GLUXZHRKJLLXRI-UHFFFAOYSA-N 0 0 281.186 4.748 10 0 CJAERN CC(C)Cc1ccc(-c2cc(Cl)nc(Cl)n2)cc1 ZINC000071631525 176236799 /nfs/dbraw/zinc/23/67/99/176236799.db2.gz IIXUJBZPRSAVDF-UHFFFAOYSA-N 0 0 281.186 4.649 10 0 CJAERN CC(C)(C)c1ccc(-c2nc3ccc(N)cc3s2)cc1 ZINC000071632333 176237396 /nfs/dbraw/zinc/23/73/96/176237396.db2.gz STVLKVNOLWSRDA-UHFFFAOYSA-N 0 0 282.412 4.843 10 0 CJAERN CC(C)c1ccccc1Nc1ccc(Br)cn1 ZINC000071647538 176240599 /nfs/dbraw/zinc/24/05/99/176240599.db2.gz LALQANBVJDABDH-UHFFFAOYSA-N 0 0 291.192 4.711 10 0 CJAERN CC(C)c1ccc(Nc2ccc(Br)cn2)cc1 ZINC000071647539 176240462 /nfs/dbraw/zinc/24/04/62/176240462.db2.gz MWDAWRRXRGHCIC-UHFFFAOYSA-N 0 0 291.192 4.711 10 0 CJAERN Cc1cc(C)c(Nc2ccc(Br)cn2)c(C)c1 ZINC000071647540 176240700 /nfs/dbraw/zinc/24/07/00/176240700.db2.gz NOAMAIKFLPELCW-UHFFFAOYSA-N 0 0 291.192 4.513 10 0 CJAERN CCOP(=O)(Cc1cc(Cl)ccc1Cl)OCC ZINC000071790897 176262895 /nfs/dbraw/zinc/26/28/95/176262895.db2.gz RCXBPHNDURWDBU-UHFFFAOYSA-N 0 0 297.118 4.760 10 0 CJAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CC1CCCCC1 ZINC000071856063 176278251 /nfs/dbraw/zinc/27/82/51/176278251.db2.gz TVKJTZLJIBWKCC-ZDUSSCGKSA-N 0 0 293.838 4.830 10 0 CJAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CC1CCCCC1 ZINC000071856064 333887282 /nfs/dbraw/zinc/88/72/82/333887282.db2.gz TVKJTZLJIBWKCC-CYBMUJFWSA-N 0 0 293.838 4.830 10 0 CJAERN CCC[C@@H](C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000071866099 176281219 /nfs/dbraw/zinc/28/12/19/176281219.db2.gz RGZGYBHAJYHJRR-KGLIPLIRSA-N 0 0 275.436 4.598 10 0 CJAERN CCC[C@H](C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000071866103 333887844 /nfs/dbraw/zinc/88/78/44/333887844.db2.gz RGZGYBHAJYHJRR-KBPBESRZSA-N 0 0 275.436 4.598 10 0 CJAERN CCC[C@@H](C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000071866104 176281226 /nfs/dbraw/zinc/28/12/26/176281226.db2.gz RGZGYBHAJYHJRR-ZIAGYGMSSA-N 0 0 275.436 4.598 10 0 CJAERN CCC[C@H](C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000071866106 176282003 /nfs/dbraw/zinc/28/20/03/176282003.db2.gz RGZGYBHAJYHJRR-UONOGXRCSA-N 0 0 275.436 4.598 10 0 CJAERN C[C@@H](NC(=O)CC1CCCCC1)c1ccc(Cl)s1 ZINC000071884878 518177765 /nfs/dbraw/zinc/17/77/65/518177765.db2.gz YCHDFIZZQCNQNC-SNVBAGLBSA-N 0 0 285.840 4.549 10 0 CJAERN CC(C)Cn1c(Cl)nc2c1c1ccccc1nc2Cl ZINC000071973286 176305807 /nfs/dbraw/zinc/30/58/07/176305807.db2.gz HRSLCUBCMRAWIU-UHFFFAOYSA-N 0 0 294.185 4.547 10 0 CJAERN CC(C)=CCc1cc(OCc2ccccc2)ccc1C=O ZINC000071973453 176305943 /nfs/dbraw/zinc/30/59/43/176305943.db2.gz TXIOIYPJZWHFIA-UHFFFAOYSA-N 0 0 280.367 4.587 10 0 CJAERN CCCc1cc(N)c(O)c(-c2ccc(OC)c(CCC)c2)c1 ZINC000072112599 176317594 /nfs/dbraw/zinc/31/75/94/176317594.db2.gz CORBPQMJMWUNPD-UHFFFAOYSA-N 0 0 299.414 4.555 10 0 CJAERN CC(C)(C)c1ccc(-c2ccc(Br)cn2)cc1 ZINC000072191836 176336216 /nfs/dbraw/zinc/33/62/16/176336216.db2.gz WSWFGRYOSGIIQI-UHFFFAOYSA-N 0 0 290.204 4.809 10 0 CJAERN FC(F)(F)c1ccc(-c2coc(Br)c2)cc1 ZINC000072191863 176336442 /nfs/dbraw/zinc/33/64/42/176336442.db2.gz ZWBNVPCNPYVCLK-UHFFFAOYSA-N 0 0 291.066 4.728 10 0 CJAERN FC(F)(F)c1ccccc1-c1coc(Br)c1 ZINC000072191866 176336138 /nfs/dbraw/zinc/33/61/38/176336138.db2.gz IPGNPYWYOQXXHS-UHFFFAOYSA-N 0 0 291.066 4.728 10 0 CJAERN FC(F)(F)c1cccc(-c2coc(Br)c2)c1 ZINC000072191869 176336473 /nfs/dbraw/zinc/33/64/73/176336473.db2.gz BUAAAACKQCOYOG-UHFFFAOYSA-N 0 0 291.066 4.728 10 0 CJAERN FC(F)(F)c1ccccc1-c1ccoc1Br ZINC000072191918 176336120 /nfs/dbraw/zinc/33/61/20/176336120.db2.gz LTUKQNFRGYLGSM-UHFFFAOYSA-N 0 0 291.066 4.728 10 0 CJAERN FC(F)(F)c1cccc(-c2ccoc2Br)c1 ZINC000072191926 176336155 /nfs/dbraw/zinc/33/61/55/176336155.db2.gz MJVMOMFOTCTRAX-UHFFFAOYSA-N 0 0 291.066 4.728 10 0 CJAERN FC(F)(F)c1ccc(-c2ccoc2Br)cc1 ZINC000072191932 176336205 /nfs/dbraw/zinc/33/62/05/176336205.db2.gz VSIDVUKJFDBDEO-UHFFFAOYSA-N 0 0 291.066 4.728 10 0 CJAERN Clc1cc(C2CCCCC2)ncc1Br ZINC000072193318 526925988 /nfs/dbraw/zinc/92/59/88/526925988.db2.gz OCWTXJXHIHYGPV-UHFFFAOYSA-N 0 0 274.589 4.545 10 0 CJAERN CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C=O)cc2)cc1 ZINC000072193589 176336863 /nfs/dbraw/zinc/33/68/63/176336863.db2.gz SDDPKDLNWWXQER-UHFFFAOYSA-N 0 0 297.354 4.513 10 0 CJAERN C[C@H](OCC(C)(C)C)c1ccc(Br)cc1 ZINC000072210005 525898781 /nfs/dbraw/zinc/89/87/81/525898781.db2.gz LJPUSIQHSGFNBW-JTQLQIEISA-N 0 0 271.198 4.573 10 0 CJAERN C[C@@H](OCC(C)(C)C)c1ccc(Br)cc1 ZINC000072210006 525900730 /nfs/dbraw/zinc/90/07/30/525900730.db2.gz LJPUSIQHSGFNBW-SNVBAGLBSA-N 0 0 271.198 4.573 10 0 CJAERN FC(F)(F)c1cc2nccc(Cl)c2cc1Cl ZINC000072237271 176346268 /nfs/dbraw/zinc/34/62/68/176346268.db2.gz YJMXFUKRNICMHY-UHFFFAOYSA-N 0 0 266.049 4.560 10 0 CJAERN Cc1cc2c(cc1Cl)nccc2Oc1cccc(N)c1 ZINC000072237443 176346285 /nfs/dbraw/zinc/34/62/85/176346285.db2.gz LMFMOYYFXFODAZ-UHFFFAOYSA-N 0 0 284.746 4.571 10 0 CJAERN Cc1cc2c(cc1Cl)nccc2Nc1cccc(N)c1 ZINC000072237445 176346139 /nfs/dbraw/zinc/34/61/39/176346139.db2.gz NWIQKNKXYKYZOK-UHFFFAOYSA-N 0 0 283.762 4.522 10 0 CJAERN FC(Cl)(Cl)c1ccc(C(F)(Cl)Cl)cc1 ZINC000072265646 176352135 /nfs/dbraw/zinc/35/21/35/176352135.db2.gz JVOGYTKYZPYUEA-UHFFFAOYSA-N 0 0 279.928 4.801 10 0 CJAERN Cc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2c1 ZINC000072265835 176352233 /nfs/dbraw/zinc/35/22/33/176352233.db2.gz AKPBEYXPDVHVAQ-UHFFFAOYSA-N 0 0 276.261 4.557 10 0 CJAERN Cc1ccc([C@]2(C)CC(C)(C)Nc3ccccc32)cc1 ZINC000072416194 176399985 /nfs/dbraw/zinc/39/99/85/176399985.db2.gz WIXZJYIOWMPVOG-IBGZPJMESA-N 0 0 265.400 4.895 10 0 CJAERN Cc1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1 ZINC000072443521 176403787 /nfs/dbraw/zinc/40/37/87/176403787.db2.gz ITPYZNUNXNUDID-UHFFFAOYSA-N 0 0 295.773 4.849 10 0 CJAERN Cc1ccc(Nc2nccc(-c3ccccc3Cl)n2)cc1 ZINC000072443531 176403912 /nfs/dbraw/zinc/40/39/12/176403912.db2.gz SYYUUMCKRLKRIZ-UHFFFAOYSA-N 0 0 295.773 4.849 10 0 CJAERN Cc1ccc(Nc2nccc(/C=C/c3ccccc3)n2)cc1 ZINC000072443685 176404047 /nfs/dbraw/zinc/40/40/47/176404047.db2.gz GKHFVKHBCJASQU-FMIVXFBMSA-N 0 0 287.366 4.699 10 0 CJAERN COc1ccc(-c2ccc3c(O)cccc3c2)c(C)c1 ZINC000073160503 176457246 /nfs/dbraw/zinc/45/72/46/176457246.db2.gz MUXWFOIKCUPEEZ-UHFFFAOYSA-N 0 0 264.324 4.529 10 0 CJAERN Cc1ccc2nc(-c3cc(C)cc(C)c3)sc2c1 ZINC000073635059 567893308 /nfs/dbraw/zinc/89/33/08/567893308.db2.gz RGGVKARDSHMXAD-UHFFFAOYSA-N 0 0 253.370 4.889 10 0 CJAERN CCOc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000073635065 567893238 /nfs/dbraw/zinc/89/32/38/567893238.db2.gz AZFTWUQDMMNFBC-UHFFFAOYSA-N 0 0 269.369 4.670 10 0 CJAERN Cc1cc2sc(-c3ccc(Cl)c(N)c3)nc2c(C)c1 ZINC000073635423 567893228 /nfs/dbraw/zinc/89/32/28/567893228.db2.gz XYQDBSWLGMBCKZ-UHFFFAOYSA-N 0 0 288.803 4.816 10 0 CJAERN Cc1cc2sc(-c3cc(N)ccc3Cl)nc2c(C)c1 ZINC000073635426 567893098 /nfs/dbraw/zinc/89/30/98/567893098.db2.gz LWAVWJPKCZZJTD-UHFFFAOYSA-N 0 0 288.803 4.816 10 0 CJAERN Cc1cc2sc(-c3ccc(N)c(Cl)c3)nc2c(C)c1 ZINC000073635428 567893076 /nfs/dbraw/zinc/89/30/76/567893076.db2.gz YUCUCRXDVOLBSZ-UHFFFAOYSA-N 0 0 288.803 4.816 10 0 CJAERN Cc1cc2sc(-c3ccc(N)cc3Cl)nc2c(C)c1 ZINC000073635471 567893178 /nfs/dbraw/zinc/89/31/78/567893178.db2.gz OMPYXZSQOBRMTP-UHFFFAOYSA-N 0 0 288.803 4.816 10 0 CJAERN Cc1cc2sc(-c3ccccc3C)nc2c(C)c1 ZINC000073635489 567893165 /nfs/dbraw/zinc/89/31/65/567893165.db2.gz FNVRXZMUBMFRTO-UHFFFAOYSA-N 0 0 253.370 4.889 10 0 CJAERN Cc1cccc(-c2nc3c(cc(C)cc3C)s2)c1 ZINC000073635492 176479914 /nfs/dbraw/zinc/47/99/14/176479914.db2.gz SMLBIYPAJXXNKR-UHFFFAOYSA-N 0 0 253.370 4.889 10 0 CJAERN Cc1ccc(-c2nc3c(cc(C)cc3C)s2)cc1 ZINC000073635499 567893074 /nfs/dbraw/zinc/89/30/74/567893074.db2.gz IOAJVKGAEBPZIQ-UHFFFAOYSA-N 0 0 253.370 4.889 10 0 CJAERN Cc1cc2sc(Cc3ccccc3)nc2c(C)c1 ZINC000073635538 176479927 /nfs/dbraw/zinc/47/99/27/176479927.db2.gz NGRHPPSCMIFRAZ-UHFFFAOYSA-N 0 0 253.370 4.504 10 0 CJAERN Cc1cc2sc(-c3ccccc3F)nc2c(C)c1 ZINC000073635552 176479881 /nfs/dbraw/zinc/47/98/81/176479881.db2.gz GLXVAMICIAKDPK-UHFFFAOYSA-N 0 0 257.333 4.719 10 0 CJAERN Cc1cc2sc(-c3cccc(F)c3)nc2c(C)c1 ZINC000073635556 567892957 /nfs/dbraw/zinc/89/29/57/567892957.db2.gz USXBOIAYHOXPCG-UHFFFAOYSA-N 0 0 257.333 4.719 10 0 CJAERN Cc1cc2sc(-c3ccc(F)cc3)nc2c(C)c1 ZINC000073635582 176479943 /nfs/dbraw/zinc/47/99/43/176479943.db2.gz VWOIZJZWOPWAPI-UHFFFAOYSA-N 0 0 257.333 4.719 10 0 CJAERN COc1cccc(-c2nc3c(cc(C)cc3C)s2)c1 ZINC000073635609 567892953 /nfs/dbraw/zinc/89/29/53/567892953.db2.gz IUZPGIHQBJQNSL-UHFFFAOYSA-N 0 0 269.369 4.589 10 0 CJAERN COc1ccc(-c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000073635613 567893208 /nfs/dbraw/zinc/89/32/08/567893208.db2.gz VVKJSIVYUSMVFV-UHFFFAOYSA-N 0 0 299.395 4.597 10 0 CJAERN COc1ccc(-c2nc3c(cc(C)cc3C)s2)cc1 ZINC000073635619 567893296 /nfs/dbraw/zinc/89/32/96/567893296.db2.gz ZGQWCKUQORIBOY-UHFFFAOYSA-N 0 0 269.369 4.589 10 0 CJAERN COc1cc(OC)cc(-c2nc3c(cc(C)cc3C)s2)c1 ZINC000073635622 567892989 /nfs/dbraw/zinc/89/29/89/567892989.db2.gz JNYBDMHDJPRNKJ-UHFFFAOYSA-N 0 0 299.395 4.597 10 0 CJAERN CCOc1ccc(-c2nc3c(cc(C)cc3C)s2)cc1 ZINC000073635632 567893264 /nfs/dbraw/zinc/89/32/64/567893264.db2.gz BPZORHQJTOSDHS-UHFFFAOYSA-N 0 0 283.396 4.979 10 0 CJAERN Cc1cccc2sc(-c3ccc(C)c(C)c3)nc21 ZINC000073638503 567893510 /nfs/dbraw/zinc/89/35/10/567893510.db2.gz HXOQDJAIXYQCNN-UHFFFAOYSA-N 0 0 253.370 4.889 10 0 CJAERN Cc1cc(C)cc(-c2nc3c(cccc3C)s2)c1 ZINC000073638505 567893422 /nfs/dbraw/zinc/89/34/22/567893422.db2.gz HDTPWPWDKMECJB-UHFFFAOYSA-N 0 0 253.370 4.889 10 0 CJAERN Cc1ccc(-c2nc3c(cccc3C)s2)c(C)c1 ZINC000073638507 176480632 /nfs/dbraw/zinc/48/06/32/176480632.db2.gz LZZHIALDPOYZHD-UHFFFAOYSA-N 0 0 253.370 4.889 10 0 CJAERN Cc1ccc2nc(-c3ccc(C)cc3C)sc2c1 ZINC000073638512 567893345 /nfs/dbraw/zinc/89/33/45/567893345.db2.gz FWRSSCXECKLYMI-UHFFFAOYSA-N 0 0 253.370 4.889 10 0 CJAERN Cc1ccccc1-c1nc2ccc(Cl)cc2s1 ZINC000073638522 567893702 /nfs/dbraw/zinc/89/37/02/567893702.db2.gz YXTXWWZUSVIHAH-UHFFFAOYSA-N 0 0 259.761 4.925 10 0 CJAERN Cc1cccc(-c2nc3ccc(Cl)cc3s2)c1 ZINC000073638524 567893694 /nfs/dbraw/zinc/89/36/94/567893694.db2.gz VTVNQJYJQHGOIS-UHFFFAOYSA-N 0 0 259.761 4.925 10 0 CJAERN Cc1ccc(-c2nc3ccc(Cl)cc3s2)cc1 ZINC000073638526 567893540 /nfs/dbraw/zinc/89/35/40/567893540.db2.gz CCMDNZPWXRBXKI-UHFFFAOYSA-N 0 0 259.761 4.925 10 0 CJAERN Cc1ccc(-c2nc3ccc(F)cc3s2)c(C)c1 ZINC000073638533 176480495 /nfs/dbraw/zinc/48/04/95/176480495.db2.gz BOKGWIVIZIRQBZ-UHFFFAOYSA-N 0 0 257.333 4.719 10 0 CJAERN Cc1cc(C)cc(-c2nc3ccc(F)cc3s2)c1 ZINC000073638535 567893382 /nfs/dbraw/zinc/89/33/82/567893382.db2.gz HXCCAAJFMSQABP-UHFFFAOYSA-N 0 0 257.333 4.719 10 0 CJAERN Brc1ccc2nc(-c3ccccc3)sc2c1 ZINC000073638544 176480384 /nfs/dbraw/zinc/48/03/84/176480384.db2.gz AJYSRGZKHNITSH-UHFFFAOYSA-N 0 0 290.185 4.726 10 0 CJAERN c1ccc(-c2ccc3oc(-c4cccnc4)nc3c2)cc1 ZINC000073638614 176480747 /nfs/dbraw/zinc/48/07/47/176480747.db2.gz PFCVJDBSUZLYKZ-UHFFFAOYSA-N 0 0 272.307 4.557 10 0 CJAERN c1ccc(-c2ccc3oc(-c4ccncc4)nc3c2)cc1 ZINC000073638683 567893645 /nfs/dbraw/zinc/89/36/45/567893645.db2.gz ZYEXCOMKLZORMG-UHFFFAOYSA-N 0 0 272.307 4.557 10 0 CJAERN Clc1cc2nc(Cc3ccccc3)oc2c(Cl)c1 ZINC000073638703 567893433 /nfs/dbraw/zinc/89/34/33/567893433.db2.gz XNZGEUSELDDNJC-UHFFFAOYSA-N 0 0 278.138 4.725 10 0 CJAERN Cc1cc2nc(Cc3ccc(Cl)cc3)oc2c(C)c1 ZINC000073638722 567893515 /nfs/dbraw/zinc/89/35/15/567893515.db2.gz RZZGHBNRHHMJST-UHFFFAOYSA-N 0 0 271.747 4.689 10 0 CJAERN Cc1cc2nc(Cc3ccc(Cl)cc3)oc2cc1C ZINC000073638727 567893527 /nfs/dbraw/zinc/89/35/27/567893527.db2.gz KFRJSTIOXOBQHB-UHFFFAOYSA-N 0 0 271.747 4.689 10 0 CJAERN Cc1ccc2nc(Cc3ccc(Cl)cc3)oc2c1C ZINC000073638734 176480694 /nfs/dbraw/zinc/48/06/94/176480694.db2.gz AKYJHKNNBVGVPN-UHFFFAOYSA-N 0 0 271.747 4.689 10 0 CJAERN CC(C)c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000073638742 176480421 /nfs/dbraw/zinc/48/04/21/176480421.db2.gz KAFJOCCDOSNPER-UHFFFAOYSA-N 0 0 251.329 4.542 10 0 CJAERN CCc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000073638747 176480530 /nfs/dbraw/zinc/48/05/30/176480530.db2.gz RXYILQABYJLCJP-UHFFFAOYSA-N 0 0 271.747 4.634 10 0 CJAERN c1ccc(Cc2nc3c(ccc4ccccc34)o2)cc1 ZINC000073638798 176480716 /nfs/dbraw/zinc/48/07/16/176480716.db2.gz IMLHFKFJVBGISC-UHFFFAOYSA-N 0 0 259.308 4.572 10 0 CJAERN Cc1cccc2sc(Cc3ccc(Cl)cc3)nc21 ZINC000073638816 567893486 /nfs/dbraw/zinc/89/34/86/567893486.db2.gz HIBMLBOHRHITFP-UHFFFAOYSA-N 0 0 273.788 4.849 10 0 CJAERN Cc1cc2[nH]c(Cc3ccc(Cl)cc3)nc2cc1Cl ZINC000073638842 567893506 /nfs/dbraw/zinc/89/35/06/567893506.db2.gz KPDRGMMRJRTWOJ-UHFFFAOYSA-N 0 0 291.181 4.769 10 0 CJAERN Fc1cccc(-c2nc3ccc(Cl)cc3s2)c1 ZINC000073638932 567893569 /nfs/dbraw/zinc/89/35/69/567893569.db2.gz MBNPHHVKABRMKO-UHFFFAOYSA-N 0 0 263.724 4.756 10 0 CJAERN Fc1ccccc1-c1nc2ccc(Cl)cc2s1 ZINC000073638935 567893498 /nfs/dbraw/zinc/89/34/98/567893498.db2.gz VVUNTSMZASDMBV-UHFFFAOYSA-N 0 0 263.724 4.756 10 0 CJAERN Cc1cc2[nH]c(-c3ccc(Cl)cc3)nc2cc1Cl ZINC000073638958 567893466 /nfs/dbraw/zinc/89/34/66/567893466.db2.gz PBJAMDQMTSKKDZ-UHFFFAOYSA-N 0 0 277.154 4.845 10 0 CJAERN Cc1cc2[nH]c(-c3cccc(Cl)c3)nc2cc1Cl ZINC000073638967 567893475 /nfs/dbraw/zinc/89/34/75/567893475.db2.gz BBAJKDJBTNMQJA-UHFFFAOYSA-N 0 0 277.154 4.845 10 0 CJAERN Cc1cc2[nH]c(-c3ccccc3Cl)nc2cc1Cl ZINC000073638972 567893524 /nfs/dbraw/zinc/89/35/24/567893524.db2.gz KCIPCXMOELTYNM-UHFFFAOYSA-N 0 0 277.154 4.845 10 0 CJAERN Cc1ccc2[nH]c(-c3ccc(C)c(Cl)c3)nc2c1 ZINC000073639005 567893647 /nfs/dbraw/zinc/89/36/47/567893647.db2.gz QJKHLDXUMNSGJB-UHFFFAOYSA-N 0 0 256.736 4.500 10 0 CJAERN Cc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1Cl ZINC000073639007 567893543 /nfs/dbraw/zinc/89/35/43/567893543.db2.gz UNJCXJHFIGIZID-UHFFFAOYSA-N 0 0 277.154 4.845 10 0 CJAERN Cc1ccc2oc(-c3ccc(C)c(Cl)c3)nc2c1 ZINC000073639017 176480303 /nfs/dbraw/zinc/48/03/03/176480303.db2.gz OXNRJWFYTPKILL-UHFFFAOYSA-N 0 0 257.720 4.765 10 0 CJAERN Cc1ccc2nc(-c3cccc(Br)c3)oc2c1 ZINC000073639026 567893691 /nfs/dbraw/zinc/89/36/91/567893691.db2.gz NHKXRVHGSKLVJH-UHFFFAOYSA-N 0 0 288.144 4.566 10 0 CJAERN Cc1cccc2nc(-c3ccccc3Br)oc21 ZINC000073639030 567893420 /nfs/dbraw/zinc/89/34/20/567893420.db2.gz MGONOUYTYZXAAG-UHFFFAOYSA-N 0 0 288.144 4.566 10 0 CJAERN Cc1cccc2nc(-c3ccc(C)c(Cl)c3)oc21 ZINC000073639040 567893503 /nfs/dbraw/zinc/89/35/03/567893503.db2.gz XUWFWOWBZGLBGK-UHFFFAOYSA-N 0 0 257.720 4.765 10 0 CJAERN Cc1ccc2nc(-c3ccc(C)c(Cl)c3)oc2c1 ZINC000073639042 176480467 /nfs/dbraw/zinc/48/04/67/176480467.db2.gz BJGCYMRDMSLYFI-UHFFFAOYSA-N 0 0 257.720 4.765 10 0 CJAERN Cc1cc2nc(-c3ccccc3Cl)oc2cc1C ZINC000073639052 567893482 /nfs/dbraw/zinc/89/34/82/567893482.db2.gz BIQKFIQYIZEOJP-UHFFFAOYSA-N 0 0 257.720 4.765 10 0 CJAERN Cc1ccc2nc(-c3ccccc3Cl)oc2c1C ZINC000073639056 567893619 /nfs/dbraw/zinc/89/36/19/567893619.db2.gz VQOZGHZIDQXMPY-UHFFFAOYSA-N 0 0 257.720 4.765 10 0 CJAERN Cc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000073639138 567893523 /nfs/dbraw/zinc/89/35/23/567893523.db2.gz KBTFJNLSJQUKMM-UHFFFAOYSA-N 0 0 259.308 4.956 10 0 CJAERN Cc1cccc2nc(-c3cccc4ccccc43)oc21 ZINC000073639141 567893344 /nfs/dbraw/zinc/89/33/44/567893344.db2.gz HPSXRXKSTVDMGZ-UHFFFAOYSA-N 0 0 259.308 4.956 10 0 CJAERN Cc1ccc2nc(-c3cccc4ccccc43)oc2c1 ZINC000073639142 567893708 /nfs/dbraw/zinc/89/37/08/567893708.db2.gz IXLVFLZQVXTDDP-UHFFFAOYSA-N 0 0 259.308 4.956 10 0 CJAERN Cc1cccc2nc(-c3ccc4ccccc4c3)oc21 ZINC000073639202 567893545 /nfs/dbraw/zinc/89/35/45/567893545.db2.gz OOQOQFYAPPZFCB-UHFFFAOYSA-N 0 0 259.308 4.956 10 0 CJAERN Cc1ccc2nc(-c3ccc4ccccc4c3)oc2c1 ZINC000073639204 567893595 /nfs/dbraw/zinc/89/35/95/567893595.db2.gz DTZPSQFPEWIWRH-UHFFFAOYSA-N 0 0 259.308 4.956 10 0 CJAERN Cc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000073639206 567893539 /nfs/dbraw/zinc/89/35/39/567893539.db2.gz ULZMYKZJMQGQLD-UHFFFAOYSA-N 0 0 259.308 4.956 10 0 CJAERN Cc1cccc2nc(-c3ccc(C(C)C)cc3)oc21 ZINC000073639595 567893190 /nfs/dbraw/zinc/89/31/90/567893190.db2.gz XVWWKOWKQHAXNF-UHFFFAOYSA-N 0 0 251.329 4.927 10 0 CJAERN Cc1cc(C)cc(-c2nc3ccc(C)c(C)c3o2)c1 ZINC000073639601 567893187 /nfs/dbraw/zinc/89/31/87/567893187.db2.gz DZRIXVBUTCWPSV-UHFFFAOYSA-N 0 0 251.329 4.728 10 0 CJAERN Cc1ccc(-c2nc3ccc(C)c(C)c3o2)cc1C ZINC000073639603 567892991 /nfs/dbraw/zinc/89/29/91/567892991.db2.gz ZEBBXMZHVMKRRR-UHFFFAOYSA-N 0 0 251.329 4.728 10 0 CJAERN Cc1ccc(-c2nc3ccc(C)c(C)c3o2)c(C)c1 ZINC000073639605 567893176 /nfs/dbraw/zinc/89/31/76/567893176.db2.gz IKUJFJYKWIYGOO-UHFFFAOYSA-N 0 0 251.329 4.728 10 0 CJAERN CCc1ccc(-c2nc3ccc(C)c(C)c3o2)cc1 ZINC000073639613 176480499 /nfs/dbraw/zinc/48/04/99/176480499.db2.gz HVRNJEPYFQVIHJ-UHFFFAOYSA-N 0 0 251.329 4.674 10 0 CJAERN CCc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 ZINC000073639622 176480550 /nfs/dbraw/zinc/48/05/50/176480550.db2.gz PHLQMRBVCYEIRT-UHFFFAOYSA-N 0 0 251.329 4.674 10 0 CJAERN Cc1ccc(C)c(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000073639629 567893310 /nfs/dbraw/zinc/89/33/10/567893310.db2.gz RXMHQSUQZTWFGZ-UHFFFAOYSA-N 0 0 251.329 4.728 10 0 CJAERN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1C ZINC000073639631 176480762 /nfs/dbraw/zinc/48/07/62/176480762.db2.gz CJVGSPUDXMPWPA-UHFFFAOYSA-N 0 0 251.329 4.728 10 0 CJAERN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)c(C)c1 ZINC000073639632 567893042 /nfs/dbraw/zinc/89/30/42/567893042.db2.gz QDOOSFMWLFCOKS-UHFFFAOYSA-N 0 0 251.329 4.728 10 0 CJAERN Cc1ccc(-c2nc3cc(C)cc(C)c3o2)c(C)c1 ZINC000073639633 567893144 /nfs/dbraw/zinc/89/31/44/567893144.db2.gz WQLWATWOMDCZCA-UHFFFAOYSA-N 0 0 251.329 4.728 10 0 CJAERN Cc1ccc(-c2nc3cc(Cl)ccc3o2)c(C)c1 ZINC000073639641 567893233 /nfs/dbraw/zinc/89/32/33/567893233.db2.gz PVKNDWSDPVRDEQ-UHFFFAOYSA-N 0 0 257.720 4.765 10 0 CJAERN Cc1ccc(C)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000073639643 567893175 /nfs/dbraw/zinc/89/31/75/567893175.db2.gz GXCSHKCQQYETLW-UHFFFAOYSA-N 0 0 257.720 4.765 10 0 CJAERN Cc1ccccc1-c1nc2cc(C(C)C)ccc2o1 ZINC000073639657 176480975 /nfs/dbraw/zinc/48/09/75/176480975.db2.gz DBXCPSYGMGDKFZ-UHFFFAOYSA-N 0 0 251.329 4.927 10 0 CJAERN CCc1ccc(-c2nc3cc(CC)ccc3o2)cc1 ZINC000073639664 567893180 /nfs/dbraw/zinc/89/31/80/567893180.db2.gz OFWRHUMQXYEHTC-UHFFFAOYSA-N 0 0 251.329 4.620 10 0 CJAERN CCc1ccc2oc(-c3ccc(C)cc3C)nc2c1 ZINC000073639695 567892983 /nfs/dbraw/zinc/89/29/83/567892983.db2.gz AMPVUYAHCFBKCJ-UHFFFAOYSA-N 0 0 251.329 4.674 10 0 CJAERN CCc1ccc2oc(-c3cc(C)cc(C)c3)nc2c1 ZINC000073639696 567893231 /nfs/dbraw/zinc/89/32/31/567893231.db2.gz MGRNKCXAUNJGPM-UHFFFAOYSA-N 0 0 251.329 4.674 10 0 CJAERN COc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 ZINC000073639751 567893290 /nfs/dbraw/zinc/89/32/90/567893290.db2.gz KOMSKNIUSAXKBX-UHFFFAOYSA-N 0 0 267.328 4.627 10 0 CJAERN Cc1ccccc1-c1nc2c(ccc3ccccc23)o1 ZINC000073639762 567893005 /nfs/dbraw/zinc/89/30/05/567893005.db2.gz BOPYGWNAPOTTII-UHFFFAOYSA-N 0 0 259.308 4.956 10 0 CJAERN Cc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000073639764 567893300 /nfs/dbraw/zinc/89/33/00/567893300.db2.gz JZCPUICQHGXNHX-UHFFFAOYSA-N 0 0 259.308 4.956 10 0 CJAERN CCc1ccc(-c2nc3cc(Cl)c(C)cc3[nH]2)cc1 ZINC000073639778 567893146 /nfs/dbraw/zinc/89/31/46/567893146.db2.gz LDICSGLFRPBJHX-UHFFFAOYSA-N 0 0 270.763 4.754 10 0 CJAERN Cc1ccc(-c2nc3cc(Cl)c(C)cc3[nH]2)cc1 ZINC000073639779 567893025 /nfs/dbraw/zinc/89/30/25/567893025.db2.gz PYVQPGRTOZMVEI-UHFFFAOYSA-N 0 0 256.736 4.500 10 0 CJAERN Cc1ccccc1-c1nc2cc(Cl)c(C)cc2[nH]1 ZINC000073639782 567893261 /nfs/dbraw/zinc/89/32/61/567893261.db2.gz LQFQSVFJVFCMNE-UHFFFAOYSA-N 0 0 256.736 4.500 10 0 CJAERN Cc1cccc(-c2nc3cc(Cl)c(C)cc3[nH]2)c1 ZINC000073639785 567892995 /nfs/dbraw/zinc/89/29/95/567892995.db2.gz JVIQLZUXJSEIBL-UHFFFAOYSA-N 0 0 256.736 4.500 10 0 CJAERN Cc1ccc(-c2nc3cc(Cl)c(C)cc3[nH]2)cc1C ZINC000073639786 567892974 /nfs/dbraw/zinc/89/29/74/567892974.db2.gz AQENDGKUGXDIGY-UHFFFAOYSA-N 0 0 270.763 4.809 10 0 CJAERN Cc1ccc(-c2nc3cc(Cl)c(C)cc3[nH]2)c(C)c1 ZINC000073639788 567893044 /nfs/dbraw/zinc/89/30/44/567893044.db2.gz NBBRERMHHNVXOJ-UHFFFAOYSA-N 0 0 270.763 4.809 10 0 CJAERN Cc1ccc(C)c(-c2nc3cc(Cl)c(C)cc3[nH]2)c1 ZINC000073639789 567893049 /nfs/dbraw/zinc/89/30/49/567893049.db2.gz MCJSXLVIASMLFK-UHFFFAOYSA-N 0 0 270.763 4.809 10 0 CJAERN Cc1ccc2[nH]c(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000073639899 567893281 /nfs/dbraw/zinc/89/32/81/567893281.db2.gz JNSYHEGLORHDCV-UHFFFAOYSA-N 0 0 277.154 4.845 10 0 CJAERN CCc1cc(N)cc2nc(-c3ccc(C(C)C)cc3)oc21 ZINC000073641648 176480982 /nfs/dbraw/zinc/48/09/82/176480982.db2.gz JYYMZSMVRPYFHE-UHFFFAOYSA-N 0 0 280.371 4.763 10 0 CJAERN CCc1cc(N)cc2nc(-c3ccc(C(C)(C)C)cc3)oc21 ZINC000073641651 567893529 /nfs/dbraw/zinc/89/35/29/567893529.db2.gz MDEMNGKENRTQGN-UHFFFAOYSA-N 0 0 294.398 4.937 10 0 CJAERN CCc1cc(N)cc2nc(-c3ccc(C)c(Cl)c3)oc21 ZINC000073642619 567893391 /nfs/dbraw/zinc/89/33/91/567893391.db2.gz FPOUUFBPYAVBKB-UHFFFAOYSA-N 0 0 286.762 4.601 10 0 CJAERN CCc1cc(N)cc2nc(-c3cccc4ccccc43)oc21 ZINC000073642685 567893526 /nfs/dbraw/zinc/89/35/26/567893526.db2.gz ITAUMDFNCFQQRW-UHFFFAOYSA-N 0 0 288.350 4.793 10 0 CJAERN CCc1cc(N)cc2nc(-c3ccc4ccccc4c3)oc21 ZINC000073642690 567893497 /nfs/dbraw/zinc/89/34/97/567893497.db2.gz NGTPSEJAAGNLOE-UHFFFAOYSA-N 0 0 288.350 4.793 10 0 CJAERN CCCc1cc(=S)[nH]c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073695467 176486390 /nfs/dbraw/zinc/48/63/90/176486390.db2.gz JITXZFXEGACQJI-UHFFFAOYSA-N 0 0 298.333 4.777 10 0 CJAERN CCc1c(C)nc(-c2ccc(C(F)(F)F)cc2)[nH]c1=S ZINC000073695472 176486392 /nfs/dbraw/zinc/48/63/92/176486392.db2.gz ILKCCDCNDHLQTR-UHFFFAOYSA-N 0 0 298.333 4.696 10 0 CJAERN CCOc1ccc2nc(NCc3ccc(C)cc3)sc2c1 ZINC000075824826 176799104 /nfs/dbraw/zinc/79/91/04/176799104.db2.gz QNDDYRNGKBNEJB-UHFFFAOYSA-N 0 0 298.411 4.616 10 0 CJAERN Fc1ccc2nc(NCc3ccc(Cl)cc3)sc2c1 ZINC000075824870 176799274 /nfs/dbraw/zinc/79/92/74/176799274.db2.gz HSDYQVVRSVMFCN-UHFFFAOYSA-N 0 0 292.766 4.701 10 0 CJAERN CCOc1ccc2nc(NCc3ccccc3C)sc2c1 ZINC000075834662 176801666 /nfs/dbraw/zinc/80/16/66/176801666.db2.gz UCDZVEZJBZGLKJ-UHFFFAOYSA-N 0 0 298.411 4.616 10 0 CJAERN Cc1cccc(CNc2nc3ccc(Cl)cc3s2)c1 ZINC000075834711 176801661 /nfs/dbraw/zinc/80/16/61/176801661.db2.gz IEWXETDAUPITQE-UHFFFAOYSA-N 0 0 288.803 4.870 10 0 CJAERN Fc1cccc(Br)c1C1CCCCC1 ZINC000075841121 566978871 /nfs/dbraw/zinc/97/88/71/566978871.db2.gz SDVVVFMVNOEXEF-UHFFFAOYSA-N 0 0 257.146 4.636 10 0 CJAERN Nc1oc2ccccc2c1-c1ccccc1C(F)(F)F ZINC000076207449 567904694 /nfs/dbraw/zinc/90/46/94/567904694.db2.gz ZEKHDXMCABESQI-UHFFFAOYSA-N 0 0 277.245 4.701 10 0 CJAERN CSc1ccc(-c2csc(-c3cccc(N)c3)n2)cc1 ZINC000076560684 177038147 /nfs/dbraw/zinc/03/81/47/177038147.db2.gz JGIGKKCSLGIWOV-UHFFFAOYSA-N 0 0 298.436 4.781 10 0 CJAERN CC1=C(C/C=C\I)C(C)(C)CCC1 ZINC000077045890 177160838 /nfs/dbraw/zinc/16/08/38/177160838.db2.gz QQYVDLQXENAHLB-UITAMQMPSA-N 0 0 290.188 4.852 10 0 CJAERN CCNc1nc(-c2oc3ccccc3c2CC)cs1 ZINC000077068034 177182991 /nfs/dbraw/zinc/18/29/91/177182991.db2.gz UIFDEZDYQUNNEX-UHFFFAOYSA-N 0 0 272.373 4.551 10 0 CJAERN CCc1c2ccccc2oc1-c1csc(NC(C)C)n1 ZINC000077068035 177182780 /nfs/dbraw/zinc/18/27/80/177182780.db2.gz GNNQLRHGUBIZLS-UHFFFAOYSA-N 0 0 286.400 4.939 10 0 CJAERN CCCNc1nc(-c2oc3ccccc3c2CC)cs1 ZINC000077068036 177182660 /nfs/dbraw/zinc/18/26/60/177182660.db2.gz QXPMVXVRAMGTIJ-UHFFFAOYSA-N 0 0 286.400 4.941 10 0 CJAERN CCC[C@H](OC)c1oc2ccccc2c1Br ZINC000077284921 177248704 /nfs/dbraw/zinc/24/87/04/177248704.db2.gz XSQSNQSOZHAHBW-NSHDSACASA-N 0 0 283.165 4.683 10 0 in-vitro CJAERN CCC[C@@H](OC)c1oc2ccccc2c1Br ZINC000077284923 177248841 /nfs/dbraw/zinc/24/88/41/177248841.db2.gz XSQSNQSOZHAHBW-LLVKDONJSA-N 0 0 283.165 4.683 10 0 in-vitro CJAERN O=C1CCC[C@@H](c2ccc(-c3ccccc3)cc2)C1 ZINC000077431885 177267502 /nfs/dbraw/zinc/26/75/02/177267502.db2.gz PHMNEQQEHAHWCB-QGZVFWFLSA-N 0 0 250.341 4.580 10 0 CJAERN O=C1CCC[C@H](c2ccc(-c3ccccc3)cc2)C1 ZINC000077431887 177267426 /nfs/dbraw/zinc/26/74/26/177267426.db2.gz PHMNEQQEHAHWCB-KRWDZBQOSA-N 0 0 250.341 4.580 10 0 CJAERN CC(=O)c1ccc(-c2c(Cl)cccc2Cl)s1 ZINC000077597919 177283568 /nfs/dbraw/zinc/28/35/68/177283568.db2.gz OSYMEDJYEUEAPS-UHFFFAOYSA-N 0 0 271.168 4.925 10 0 CJAERN COC(=O)c1ccccc1Nc1c(Cl)cccc1Cl ZINC000078169990 177325600 /nfs/dbraw/zinc/32/56/00/177325600.db2.gz FKAXNUJYBUPQNC-UHFFFAOYSA-N 0 0 296.153 4.524 10 0 CJAERN CSc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000078220142 177326735 /nfs/dbraw/zinc/32/67/35/177326735.db2.gz YOFMMEFREXQZRH-UHFFFAOYSA-N 0 0 250.750 4.854 10 0 CJAERN Clc1ccc(-c2cccc(Br)c2)cc1 ZINC000078583276 177356689 /nfs/dbraw/zinc/35/66/89/177356689.db2.gz HUHYFZSUBKNCJM-UHFFFAOYSA-N 0 0 267.553 4.770 10 0 CJAERN CC(C)Cc1ccc([C@@H](C)N[C@H](C)c2nccs2)cc1 ZINC000080265306 334168962 /nfs/dbraw/zinc/16/89/62/334168962.db2.gz PUWLWQWXGXWGIJ-ZIAGYGMSSA-N 0 0 288.460 4.753 10 0 CJAERN CC(C)Cc1ccc([C@H](C)N[C@H](C)c2nccs2)cc1 ZINC000080265308 334168997 /nfs/dbraw/zinc/16/89/97/334168997.db2.gz PUWLWQWXGXWGIJ-UONOGXRCSA-N 0 0 288.460 4.753 10 0 CJAERN CC(C)c1ccc([C@@H](C)N[C@H](C)c2nccs2)cc1 ZINC000080265323 260179204 /nfs/dbraw/zinc/17/92/04/260179204.db2.gz QBKSHZULZLBAHB-CHWSQXEVSA-N 0 0 274.433 4.678 10 0 CJAERN CC(C)c1ccc([C@H](C)N[C@H](C)c2nccs2)cc1 ZINC000080265324 260179214 /nfs/dbraw/zinc/17/92/14/260179214.db2.gz QBKSHZULZLBAHB-QWHCGFSZSA-N 0 0 274.433 4.678 10 0 CJAERN FC(F)(F)c1ccc(NCc2cccc3[nH]ccc32)cc1 ZINC000080332331 334170629 /nfs/dbraw/zinc/17/06/29/334170629.db2.gz DAEGXXHNAQEKNM-UHFFFAOYSA-N 0 0 290.288 4.799 10 0 CJAERN Cc1c(C)c(-c2ccccc2)ccc1Br ZINC000081217753 177782153 /nfs/dbraw/zinc/78/21/53/177782153.db2.gz KTMAJQCVAGJTIM-UHFFFAOYSA-N 0 0 261.162 4.733 10 0 CJAERN CCSc1cccc(NC(=O)c2cccc3[nH]ccc32)c1 ZINC000081746801 334206157 /nfs/dbraw/zinc/20/61/57/334206157.db2.gz WOEMDVHRGHEOEG-UHFFFAOYSA-N 0 0 296.395 4.532 10 0 CJAERN CC(C)c1nc(Cl)cc(NC(C)(C)CC(C)(C)C)n1 ZINC000082509574 178075968 /nfs/dbraw/zinc/07/59/68/178075968.db2.gz BJCBAELWDIFBSK-UHFFFAOYSA-N 0 0 283.847 4.880 10 0 CJAERN CC(C)(C)CC(C)(C)Nc1cc(Cl)nc(C2CC2)n1 ZINC000082509641 178076162 /nfs/dbraw/zinc/07/61/62/178076162.db2.gz SZWKDGAQDJLTHU-UHFFFAOYSA-N 0 0 281.831 4.634 10 0 CJAERN C[C@H](Nc1cc(Cl)nc(C(C)(C)C)n1)c1ccccc1 ZINC000082509696 178075786 /nfs/dbraw/zinc/07/57/86/178075786.db2.gz ZXUUUVDIZLPGCC-NSHDSACASA-N 0 0 289.810 4.601 10 0 CJAERN C[C@@H](Nc1cc(Cl)nc(C(C)(C)C)n1)c1ccccc1 ZINC000082509697 178075833 /nfs/dbraw/zinc/07/58/33/178075833.db2.gz ZXUUUVDIZLPGCC-LLVKDONJSA-N 0 0 289.810 4.601 10 0 CJAERN CC(C)(C)c1nc(Cl)cc(NC2CCCCCC2)n1 ZINC000082509735 178076601 /nfs/dbraw/zinc/07/66/01/178076601.db2.gz XSHJCPJAYDJZKX-UHFFFAOYSA-N 0 0 281.831 4.562 10 0 CJAERN CCCc1nc(Cl)cc(NC(C)(C)CC(C)(C)C)n1 ZINC000082509768 178076957 /nfs/dbraw/zinc/07/69/57/178076957.db2.gz MMCRCTUBQHQPNG-UHFFFAOYSA-N 0 0 283.847 4.709 10 0 CJAERN CCC(=O)c1ccc(-c2ccc3c(c2)CCCC3)cc1 ZINC000082709089 178218814 /nfs/dbraw/zinc/21/88/14/178218814.db2.gz BEQMYDPVTCYPOZ-UHFFFAOYSA-N 0 0 264.368 4.825 10 0 CJAERN CC(=O)c1ccc(F)c(-c2ccc3c(c2)CCCC3)c1 ZINC000082709090 178218857 /nfs/dbraw/zinc/21/88/57/178218857.db2.gz ODIUDNDYXJNTDS-UHFFFAOYSA-N 0 0 268.331 4.574 10 0 CJAERN CC(=O)c1ccc(F)c(-c2ccc(C(C)(C)C)cc2)c1 ZINC000082709114 178218651 /nfs/dbraw/zinc/21/86/51/178218651.db2.gz DIONIZIKAXGDOS-UHFFFAOYSA-N 0 0 270.347 4.993 10 0 CJAERN CC(=O)c1ccc(F)c(-c2ccccc2C(F)(F)F)c1 ZINC000082709188 178219123 /nfs/dbraw/zinc/21/91/23/178219123.db2.gz XASGQOLUZBSSQQ-UHFFFAOYSA-N 0 0 282.236 4.714 10 0 CJAERN CC(=O)c1ccc(F)c(-c2cccc(C(F)(F)F)c2)c1 ZINC000082709196 178219224 /nfs/dbraw/zinc/21/92/24/178219224.db2.gz FWUJRMFWWMOIDA-UHFFFAOYSA-N 0 0 282.236 4.714 10 0 CJAERN CC(=O)c1cccc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000082709202 178219035 /nfs/dbraw/zinc/21/90/35/178219035.db2.gz MZTZCPKMDAIXLD-UHFFFAOYSA-N 0 0 265.139 4.863 10 0 CJAERN CC(=O)Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC000082709204 178219697 /nfs/dbraw/zinc/21/96/97/178219697.db2.gz QGQIFRHVDHNIPE-UHFFFAOYSA-N 0 0 279.166 4.792 10 0 CJAERN CC(=O)Cc1ccc(-c2cccc(Cl)c2Cl)cc1 ZINC000082709214 178219287 /nfs/dbraw/zinc/21/92/87/178219287.db2.gz GEVUFYKQTVMUHW-UHFFFAOYSA-N 0 0 279.166 4.792 10 0 CJAERN CC(=O)Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000082709224 178219411 /nfs/dbraw/zinc/21/94/11/178219411.db2.gz RFAOKCKGXPAUTB-UHFFFAOYSA-N 0 0 279.166 4.792 10 0 CJAERN CC(C)(CNc1ccc2ccccc2n1)c1ccccc1 ZINC000082712192 178225162 /nfs/dbraw/zinc/22/51/62/178225162.db2.gz JCHGZYWDKNVPOC-UHFFFAOYSA-N 0 0 276.383 4.625 10 0 CJAERN Cc1ccc(Nc2cnn(Cc3ccccc3)c2)cc1Cl ZINC000082715775 178230064 /nfs/dbraw/zinc/23/00/64/178230064.db2.gz OVYVAXJWRURMTG-UHFFFAOYSA-N 0 0 297.789 4.637 10 0 CJAERN Cc1ccc(Cl)cc1Nc1cnn(Cc2ccccc2)c1 ZINC000082715842 178229951 /nfs/dbraw/zinc/22/99/51/178229951.db2.gz SYLGJBVEUGGWAO-UHFFFAOYSA-N 0 0 297.789 4.637 10 0 CJAERN Cc1cc(Cl)c(C(=O)C2CCCCC2)cc1C ZINC000082726272 178242320 /nfs/dbraw/zinc/24/23/20/178242320.db2.gz LADHAMSHVZLDTP-UHFFFAOYSA-N 0 0 250.769 4.720 10 0 CJAERN Cc1ccc2ccccc2c1C(=O)C1CCCCC1 ZINC000082726497 178242247 /nfs/dbraw/zinc/24/22/47/178242247.db2.gz DEMUGFSMQLBBDC-UHFFFAOYSA-N 0 0 252.357 4.911 10 0 CJAERN Clc1ccc2nc(NC3CCCCC3)sc2c1 ZINC000082727251 178243539 /nfs/dbraw/zinc/24/35/39/178243539.db2.gz AWDQHPLXDIRWHT-UHFFFAOYSA-N 0 0 266.797 4.694 10 0 CJAERN Clc1ccc2nc(NCCc3ccccc3)sc2c1 ZINC000082727253 178243881 /nfs/dbraw/zinc/24/38/81/178243881.db2.gz BQUMLRJCFLDUMX-UHFFFAOYSA-N 0 0 288.803 4.604 10 0 CJAERN Cc1cc(Cl)nc2c(Br)cc(Cl)cc12 ZINC000082788534 178293731 /nfs/dbraw/zinc/29/37/31/178293731.db2.gz ZCEKDZPQFCAZTC-UHFFFAOYSA-N 0 0 290.975 4.613 10 0 CJAERN Cc1cc(Br)nc2c(Cl)cc(Cl)cc12 ZINC000082788625 178293771 /nfs/dbraw/zinc/29/37/71/178293771.db2.gz CUUIHPPCKLHSKD-UHFFFAOYSA-N 0 0 290.975 4.613 10 0 CJAERN Cc1cc(Br)nc2cc(Cl)cc(Cl)c12 ZINC000082788630 178293509 /nfs/dbraw/zinc/29/35/09/178293509.db2.gz WXOXXVFZSCYXSL-UHFFFAOYSA-N 0 0 290.975 4.613 10 0 CJAERN Cc1cc(Cl)c2cc(Cl)cc(Br)c2n1 ZINC000082788784 178294019 /nfs/dbraw/zinc/29/40/19/178294019.db2.gz PGVXKDXGPJYRKH-UHFFFAOYSA-N 0 0 290.975 4.613 10 0 CJAERN Clc1cc(Cl)c2c(Cl)cc(Cl)nc2c1 ZINC000082788852 178294070 /nfs/dbraw/zinc/29/40/70/178294070.db2.gz NBDNNHUXZXDAPA-UHFFFAOYSA-N 0 0 266.942 4.848 10 0 CJAERN Cc1cc(Br)cc2c(Cl)cc(Cl)nc12 ZINC000082788890 178294220 /nfs/dbraw/zinc/29/42/20/178294220.db2.gz HZFLQOMDNPIJRC-UHFFFAOYSA-N 0 0 290.975 4.613 10 0 CJAERN O=C(c1ccccc1)c1ccc(Cl)c2ccccc12 ZINC000083140606 178340858 /nfs/dbraw/zinc/34/08/58/178340858.db2.gz RZDCQZZGLFWHOK-UHFFFAOYSA-N 0 0 266.727 4.724 10 0 CJAERN O=C(c1cccs1)c1ccc(Cl)c2ccccc12 ZINC000083140620 178340691 /nfs/dbraw/zinc/34/06/91/178340691.db2.gz AWLXLLVOBJNFCY-UHFFFAOYSA-N 0 0 272.756 4.786 10 0 CJAERN O[C@H](c1cccs1)c1ccc(Cl)c2ccccc21 ZINC000083140622 178340685 /nfs/dbraw/zinc/34/06/85/178340685.db2.gz OLVNKLOYZWNVBN-HNNXBMFYSA-N 0 0 274.772 4.636 10 0 CJAERN O[C@@H](c1cccs1)c1ccc(Cl)c2ccccc21 ZINC000083140624 178340538 /nfs/dbraw/zinc/34/05/38/178340538.db2.gz OLVNKLOYZWNVBN-OAHLLOKOSA-N 0 0 274.772 4.636 10 0 CJAERN O=C(Cc1ccccc1)c1ccc(Cl)c2ccccc12 ZINC000083179813 178349758 /nfs/dbraw/zinc/34/97/58/178349758.db2.gz CPZVDMKPZQZGIN-UHFFFAOYSA-N 0 0 280.754 4.919 10 0 CJAERN O=C(Cc1ccccc1)c1cc2cc(Cl)ccc2o1 ZINC000083185276 178351611 /nfs/dbraw/zinc/35/16/11/178351611.db2.gz WGIBMNGIFJVTDF-UHFFFAOYSA-N 0 0 270.715 4.512 10 0 CJAERN Cc1ccc2ccccc2c1C(=O)Cc1ccccc1 ZINC000083188285 178352666 /nfs/dbraw/zinc/35/26/66/178352666.db2.gz CCYSCWUVZWQYFF-UHFFFAOYSA-N 0 0 260.336 4.574 10 0 CJAERN O=C(c1ccc2c3c(cccc31)CC2)C1CCCCC1 ZINC000083230302 178363226 /nfs/dbraw/zinc/36/32/26/178363226.db2.gz VQOJHCDYMQVJQN-UHFFFAOYSA-N 0 0 264.368 4.701 10 0 CJAERN CC(C)c1cccc(NC/C=C/c2ccccc2)c1 ZINC000083385435 178393742 /nfs/dbraw/zinc/39/37/42/178393742.db2.gz JZAAHNUNHOPOQV-JXMROGBWSA-N 0 0 251.373 4.935 10 0 CJAERN CC(C)c1ccccc1NC/C=C/c1ccccc1 ZINC000083385438 178393638 /nfs/dbraw/zinc/39/36/38/178393638.db2.gz NEKUGLSFMRGWAR-DHZHZOJOSA-N 0 0 251.373 4.935 10 0 CJAERN CC(C)c1ccc(NC/C=C/c2ccccc2)cc1 ZINC000083385439 178394142 /nfs/dbraw/zinc/39/41/42/178394142.db2.gz WCDQIZVDIKYPKV-RMKNXTFCSA-N 0 0 251.373 4.935 10 0 CJAERN Cc1ccc(CNc2cc(C)ccc2Cl)s1 ZINC000083390998 178395589 /nfs/dbraw/zinc/39/55/89/178395589.db2.gz HYDZEOPFIAAUEQ-UHFFFAOYSA-N 0 0 251.782 4.630 10 0 CJAERN CCc1cccc(C)c1NC[C@@H](C)c1ccccc1 ZINC000083396687 178406526 /nfs/dbraw/zinc/40/65/26/178406526.db2.gz GKIPMLKJKPGTRX-OAHLLOKOSA-N 0 0 253.389 4.773 10 0 CJAERN CCc1cccc(C)c1NCc1cccc(C)c1C ZINC000083396698 178407125 /nfs/dbraw/zinc/40/71/25/178407125.db2.gz ZHJXZUMHHKQOPF-UHFFFAOYSA-N 0 0 253.389 4.786 10 0 CJAERN Cc1cc(C)c(NC[C@H](C)c2ccccc2)c(C)c1 ZINC000083396712 178407088 /nfs/dbraw/zinc/40/70/88/178407088.db2.gz IMLGLHQDVRQYEH-INIZCTEOSA-N 0 0 253.389 4.827 10 0 CJAERN Cc1ccc(C)c(CNc2c(C)cc(C)cc2C)c1 ZINC000083396715 178407510 /nfs/dbraw/zinc/40/75/10/178407510.db2.gz ROEQGDCMNRRUMX-UHFFFAOYSA-N 0 0 253.389 4.841 10 0 CJAERN Cc1ccc(F)cc1CNc1cccc(C(C)C)c1 ZINC000083428940 178432525 /nfs/dbraw/zinc/43/25/25/178432525.db2.gz RXOVWZWAPWMLSC-UHFFFAOYSA-N 0 0 257.352 4.870 10 0 CJAERN Cc1ccc(F)cc1CNc1ccccc1C(C)C ZINC000083428955 178432763 /nfs/dbraw/zinc/43/27/63/178432763.db2.gz IQALYYUKPSIQJK-UHFFFAOYSA-N 0 0 257.352 4.870 10 0 CJAERN Cc1cc(CNc2ccc(C(C)C)cc2)ccc1F ZINC000083428959 178432717 /nfs/dbraw/zinc/43/27/17/178432717.db2.gz SOQBDLCIWFZOKC-UHFFFAOYSA-N 0 0 257.352 4.870 10 0 CJAERN Cc1cc(F)ccc1CNc1ccc(C(C)C)cc1 ZINC000083428961 178432584 /nfs/dbraw/zinc/43/25/84/178432584.db2.gz CSLVILBXHDZLNQ-UHFFFAOYSA-N 0 0 257.352 4.870 10 0 CJAERN Cc1cc(C)c(NCc2ccc(F)cc2C)c(C)c1 ZINC000083428966 178432724 /nfs/dbraw/zinc/43/27/24/178432724.db2.gz WSFPOKHVYXRARW-UHFFFAOYSA-N 0 0 257.352 4.671 10 0 CJAERN CCc1cccc(CC)c1NCc1ccc(F)cc1 ZINC000083428968 178432913 /nfs/dbraw/zinc/43/29/13/178432913.db2.gz UDYGCPHLPBUYRC-UHFFFAOYSA-N 0 0 257.352 4.563 10 0 CJAERN Cc1ccc(NC/C=C/c2ccccc2)cc1Cl ZINC000083429399 178434512 /nfs/dbraw/zinc/43/45/12/178434512.db2.gz VGTCQAKIMTWRNS-VMPITWQZSA-N 0 0 257.764 4.774 10 0 CJAERN Cc1ccc(NCc2cccc(C)c2C)cc1Cl ZINC000083433374 178447620 /nfs/dbraw/zinc/44/76/20/178447620.db2.gz UIQYUKKQKPVYTO-UHFFFAOYSA-N 0 0 259.780 4.877 10 0 CJAERN CCc1ccc(CNc2cc(C)ccc2Cl)cc1 ZINC000083433399 178447712 /nfs/dbraw/zinc/44/77/12/178447712.db2.gz AIAZXEYARWRIMT-UHFFFAOYSA-N 0 0 259.780 4.823 10 0 CJAERN Cc1ccc(Cl)c(NCc2ccc(C)c(C)c2)c1 ZINC000083433403 178448085 /nfs/dbraw/zinc/44/80/85/178448085.db2.gz IDOPCEDSMHNIQA-UHFFFAOYSA-N 0 0 259.780 4.877 10 0 CJAERN Cc1ccc2nc(NCC3CCCCC3)sc2c1 ZINC000083441214 178453087 /nfs/dbraw/zinc/45/30/87/178453087.db2.gz GTGLQANFBYZRDB-UHFFFAOYSA-N 0 0 260.406 4.597 10 0 CJAERN CC(C)c1cccc(NCc2cc(F)cc(F)c2)c1 ZINC000083446697 178460828 /nfs/dbraw/zinc/46/08/28/178460828.db2.gz UTSYUZJXQAEIQA-UHFFFAOYSA-N 0 0 261.315 4.700 10 0 CJAERN Fc1c(Cl)cccc1NC/C=C/c1ccccc1 ZINC000083450400 178465614 /nfs/dbraw/zinc/46/56/14/178465614.db2.gz KGVIVAFJWJCGPY-VMPITWQZSA-N 0 0 261.727 4.604 10 0 CJAERN Cc1ccc(NCc2cccc(Cl)c2F)cc1C ZINC000083461825 178486352 /nfs/dbraw/zinc/48/63/52/178486352.db2.gz YDDQLMXRKAJRFO-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1ccc(NCc2cc(F)cc(Cl)c2)cc1C ZINC000083461827 178486433 /nfs/dbraw/zinc/48/64/33/178486433.db2.gz QGPSLOZRQVDMOH-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1cccc(C)c1NCc1cc(Cl)ccc1F ZINC000083461841 178485964 /nfs/dbraw/zinc/48/59/64/178485964.db2.gz FIERCYJEYJMUIP-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1cc(C)cc(NCc2ccc(Cl)cc2F)c1 ZINC000083461845 178486396 /nfs/dbraw/zinc/48/63/96/178486396.db2.gz OOUQMQYJIJBOLL-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1cc(C)cc(NCc2cccc(Cl)c2F)c1 ZINC000083461847 178486309 /nfs/dbraw/zinc/48/63/09/178486309.db2.gz QGCIBWKIMAKEPB-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1cc(C)cc(NCc2cc(Cl)ccc2F)c1 ZINC000083461852 178486334 /nfs/dbraw/zinc/48/63/34/178486334.db2.gz AXPPELFODINQKF-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN CCc1ccc(NCc2ccc(Cl)cc2F)cc1 ZINC000083461884 178486007 /nfs/dbraw/zinc/48/60/07/178486007.db2.gz IDEWLLFIOPNUCI-UHFFFAOYSA-N 0 0 263.743 4.654 10 0 CJAERN Cc1ccc(C)c(NCc2ccc(Cl)cc2F)c1 ZINC000083461894 178486428 /nfs/dbraw/zinc/48/64/28/178486428.db2.gz OZNDZUHTHZFWGX-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1cccc(NCc2ccc(Cl)cc2F)c1C ZINC000083461905 178486123 /nfs/dbraw/zinc/48/61/23/178486123.db2.gz RBIXQOLTBSSRAK-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1cccc(NCc2cc(Cl)ccc2F)c1C ZINC000083461911 178486332 /nfs/dbraw/zinc/48/63/32/178486332.db2.gz BYRVQWWFADHUIY-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1cccc(NCc2cccc(F)c2Cl)c1C ZINC000083461912 178486232 /nfs/dbraw/zinc/48/62/32/178486232.db2.gz WOITWIQFBPRZJS-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1cccc(C)c1CNc1ccc(F)c(Cl)c1 ZINC000083461942 178486317 /nfs/dbraw/zinc/48/63/17/178486317.db2.gz RJDLPEXPEKPWTH-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1ccc(Cl)c(NCc2ccc(C)c(F)c2)c1 ZINC000083461989 178486266 /nfs/dbraw/zinc/48/62/66/178486266.db2.gz CERJLGSENGIRSO-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN CCc1ccc(CNc2c(F)cccc2Cl)cc1 ZINC000083462013 178486104 /nfs/dbraw/zinc/48/61/04/178486104.db2.gz LDIPOLSSYHHOMJ-UHFFFAOYSA-N 0 0 263.743 4.654 10 0 CJAERN Cc1cccc(C)c1CNc1cc(F)ccc1Cl ZINC000083462046 178486227 /nfs/dbraw/zinc/48/62/27/178486227.db2.gz MJZOTYNWPHEVES-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1cccc(CNc2cc(Cl)ccc2F)c1C ZINC000083462055 178485968 /nfs/dbraw/zinc/48/59/68/178485968.db2.gz QNSWMGGHCLRXJJ-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1ccc(C)c(CNc2cccc(Cl)c2F)c1 ZINC000083462078 178486213 /nfs/dbraw/zinc/48/62/13/178486213.db2.gz LKXYQIGEEHEKIE-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1cccc(CNc2cccc(Cl)c2F)c1C ZINC000083462085 178486099 /nfs/dbraw/zinc/48/60/99/178486099.db2.gz GMSCEBGTXGUWRL-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1cc(C)cc(CNc2ccc(Cl)c(F)c2)c1 ZINC000083462094 178485958 /nfs/dbraw/zinc/48/59/58/178485958.db2.gz VOLOZPBORYIUBA-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN Cc1cccc(CNc2ccc(Cl)c(F)c2)c1C ZINC000083462100 178486076 /nfs/dbraw/zinc/48/60/76/178486076.db2.gz PBQKOHCYOXSGDP-UHFFFAOYSA-N 0 0 263.743 4.708 10 0 CJAERN CCc1cccc(NCc2cc(Cl)ccc2F)c1 ZINC000083462156 178486312 /nfs/dbraw/zinc/48/63/12/178486312.db2.gz DREDDPMRGMMRHU-UHFFFAOYSA-N 0 0 263.743 4.654 10 0 CJAERN CCc1ccc(CNc2c(CC)cccc2CC)cc1 ZINC000083495704 178524785 /nfs/dbraw/zinc/52/47/85/178524785.db2.gz IWKUACLUUKLVGS-UHFFFAOYSA-N 0 0 267.416 4.986 10 0 CJAERN Cc1ccc(Cl)c(NCc2cc(F)ccc2F)c1 ZINC000083496032 178526333 /nfs/dbraw/zinc/52/63/33/178526333.db2.gz QMUMWKSSKZRNLV-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1ccc(Cl)c(NCc2c(F)cccc2F)c1 ZINC000083496034 178526355 /nfs/dbraw/zinc/52/63/55/178526355.db2.gz ZJQBGTORJJJELR-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1ccc(Cl)c(NCc2cc(F)cc(F)c2)c1 ZINC000083496035 178526426 /nfs/dbraw/zinc/52/64/26/178526426.db2.gz OYZCZYRIGFIRMT-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1cc(F)ccc1NCc1cc(Cl)ccc1F ZINC000083496049 178526482 /nfs/dbraw/zinc/52/64/82/178526482.db2.gz QAIKISYHPNTJIK-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1cc(F)ccc1CNc1c(F)cccc1Cl ZINC000083496054 178526178 /nfs/dbraw/zinc/52/61/78/178526178.db2.gz AWCQNKYZZUNMMV-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1cc(CNc2cc(F)ccc2Cl)ccc1F ZINC000083496057 178526181 /nfs/dbraw/zinc/52/61/81/178526181.db2.gz WUPBBYHFEVXTTH-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1ccc(F)cc1CNc1cc(F)ccc1Cl ZINC000083496058 178526492 /nfs/dbraw/zinc/52/64/92/178526492.db2.gz CSDOYLITAPBGOT-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1ccc(CNc2cc(Cl)ccc2F)cc1F ZINC000083496061 178526213 /nfs/dbraw/zinc/52/62/13/178526213.db2.gz AZMAGPSEBFXZCL-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1ccc(NCc2ccc(Cl)cc2F)c(F)c1 ZINC000083496067 178526776 /nfs/dbraw/zinc/52/67/76/178526776.db2.gz KGDWTGZWCZIDIP-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1ccc(NCc2cc(F)cc(Cl)c2)c(F)c1 ZINC000083496069 178526372 /nfs/dbraw/zinc/52/63/72/178526372.db2.gz AFDPQCRBDDQMPV-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Cc1ccc(NCc2cc(Cl)ccc2F)cc1F ZINC000083496092 178526542 /nfs/dbraw/zinc/52/65/42/178526542.db2.gz OQHNMKWKXHCFFF-UHFFFAOYSA-N 0 0 267.706 4.539 10 0 CJAERN Clc1ccncc1NCc1cccc2ccccc21 ZINC000083511527 178538873 /nfs/dbraw/zinc/53/88/73/178538873.db2.gz MSDQZIHEOSBLRV-UHFFFAOYSA-N 0 0 268.747 4.500 10 0 CJAERN Clc1ccncc1NCc1ccc2ccccc2c1 ZINC000083511528 178538697 /nfs/dbraw/zinc/53/86/97/178538697.db2.gz MBACPXKKPHEXMP-UHFFFAOYSA-N 0 0 268.747 4.500 10 0 CJAERN Clc1cnccc1CNc1ccc2ccccc2c1 ZINC000083511543 178538887 /nfs/dbraw/zinc/53/88/87/178538887.db2.gz VCGJALXCUXLYRP-UHFFFAOYSA-N 0 0 268.747 4.500 10 0 CJAERN COc1ccc(CNc2c(C)cc(C)cc2C)cc1C ZINC000083514742 178545123 /nfs/dbraw/zinc/54/51/23/178545123.db2.gz MHJNSXKCXXVWMS-UHFFFAOYSA-N 0 0 269.388 4.541 10 0 CJAERN CC(C)CNc1cc(Br)cc(C(F)(F)F)c1 ZINC000083851938 567027771 /nfs/dbraw/zinc/02/77/71/567027771.db2.gz NFNMJFPLKBXMPM-UHFFFAOYSA-N 0 0 296.130 4.536 10 0 CJAERN Cc1ccc(-c2ccc(Br)cc2)c(C)c1 ZINC000084138032 567030072 /nfs/dbraw/zinc/03/00/72/567030072.db2.gz WLFTZZFOZITJQH-UHFFFAOYSA-N 0 0 261.162 4.733 10 0 CJAERN Cc1ccc(-c2cccc(Br)c2)c(C)c1 ZINC000084138039 567029581 /nfs/dbraw/zinc/02/95/81/567029581.db2.gz XLFRCUUTBMICQR-UHFFFAOYSA-N 0 0 261.162 4.733 10 0 CJAERN Cc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1C ZINC000084436556 567031138 /nfs/dbraw/zinc/03/11/38/567031138.db2.gz DIBSWLJEALITKZ-UHFFFAOYSA-N 0 0 256.736 4.500 10 0 CJAERN Nc1sc(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000084855981 178929421 /nfs/dbraw/zinc/92/94/21/178929421.db2.gz ZSVXAJRYCJASPI-UHFFFAOYSA-N 0 0 286.787 4.713 10 0 CJAERN Cc1cc2sc(-c3cc(Cl)ccc3N)nc2c(C)c1 ZINC000085345563 179028501 /nfs/dbraw/zinc/02/85/01/179028501.db2.gz XAOGGCNOQCFPAS-UHFFFAOYSA-N 0 0 288.803 4.816 10 0 CJAERN CCc1ccc2nc(-c3ccc(C)cc3)sc2c1 ZINC000085345568 179028153 /nfs/dbraw/zinc/02/81/53/179028153.db2.gz PTCSQPKPDANFGN-UHFFFAOYSA-N 0 0 253.370 4.834 10 0 CJAERN Cc1ccccc1N[C@@H](C)c1cnc2ccsc2c1 ZINC000085433168 330490174 /nfs/dbraw/zinc/49/01/74/330490174.db2.gz WCGNYLFIZRHMMU-LBPRGKRZSA-N 0 0 268.385 4.778 10 0 CJAERN Cc1ccccc1N[C@H](C)c1cnc2ccsc2c1 ZINC000085433169 330490173 /nfs/dbraw/zinc/49/01/73/330490173.db2.gz WCGNYLFIZRHMMU-GFCCVEGCSA-N 0 0 268.385 4.778 10 0 CJAERN COC(=O)/C=C(/C)CC/C=C(/C)CCC=C(C)C ZINC000085475834 179079092 /nfs/dbraw/zinc/07/90/92/179079092.db2.gz NWKXNIPBVLQYAB-LOQWIJHWSA-N 0 0 250.382 4.579 10 0 CJAERN COC(=O)/C=C(/C)CC/C=C(\C)CCC=C(C)C ZINC000085475837 179078984 /nfs/dbraw/zinc/07/89/84/179078984.db2.gz NWKXNIPBVLQYAB-DZKMRSEMSA-N 0 0 250.382 4.579 10 0 CJAERN CCOC(OCC)c1ccc(/C=C\c2ccccc2)cc1 ZINC000085482050 179080064 /nfs/dbraw/zinc/08/00/64/179080064.db2.gz LKUHPNYFNZOTGE-KHPPLWFESA-N 0 0 282.383 4.929 10 0 CJAERN Brc1csc(-c2cccc3ccccc32)n1 ZINC000086292004 333226089 /nfs/dbraw/zinc/22/60/89/333226089.db2.gz WEYGYRMMECEBAY-UHFFFAOYSA-N 0 0 290.185 4.726 10 0 CJAERN C[C@H](Nc1ccncc1Cl)c1ccc(Cl)s1 ZINC000086831213 525674144 /nfs/dbraw/zinc/67/41/44/525674144.db2.gz AMQBWQPGXJSIMZ-ZETCQYMHSA-N 0 0 273.188 4.623 10 0 CJAERN C[C@@H](Nc1ccncc1Cl)c1ccc(Cl)s1 ZINC000086831214 525723289 /nfs/dbraw/zinc/72/32/89/525723289.db2.gz AMQBWQPGXJSIMZ-SSDOTTSWSA-N 0 0 273.188 4.623 10 0 CJAERN Cc1nc(N[C@@H](C)c2cccc(Cl)c2)sc1C ZINC000087302586 260404266 /nfs/dbraw/zinc/40/42/66/260404266.db2.gz BQVQLPIHBMMRNV-VIFPVBQESA-N 0 0 266.797 4.586 10 0 CJAERN Cc1nc(N[C@@H](C)c2ccc(Cl)cc2)sc1C ZINC000087302654 260036446 /nfs/dbraw/zinc/03/64/46/260036446.db2.gz JXPAEGMUUTWBIP-VIFPVBQESA-N 0 0 266.797 4.586 10 0 CJAERN Cc1nc(N[C@H](C)c2ccc(Cl)cc2)sc1C ZINC000087302655 260036275 /nfs/dbraw/zinc/03/62/75/260036275.db2.gz JXPAEGMUUTWBIP-SECBINFHSA-N 0 0 266.797 4.586 10 0 CJAERN CCCCCc1ccc(N[C@@H](C)c2cn(C)nc2C)cc1 ZINC000087407032 260145231 /nfs/dbraw/zinc/14/52/31/260145231.db2.gz IFJSGVCLFQQKBD-AWEZNQCLSA-N 0 0 285.435 4.634 10 0 CJAERN CCCCCc1ccc(N[C@H](C)c2cn(C)nc2C)cc1 ZINC000087407033 260145201 /nfs/dbraw/zinc/14/52/01/260145201.db2.gz IFJSGVCLFQQKBD-CQSZACIVSA-N 0 0 285.435 4.634 10 0 CJAERN CC(C)c1nsc(N[C@@H](C)c2ccc(Cl)s2)n1 ZINC000087641156 330373871 /nfs/dbraw/zinc/37/38/71/330373871.db2.gz YGLQMMYHLBEQEW-ZETCQYMHSA-N 0 0 287.841 4.550 10 0 CJAERN CC(C)c1nsc(N[C@H](C)c2ccc(Cl)s2)n1 ZINC000087641157 330373836 /nfs/dbraw/zinc/37/38/36/330373836.db2.gz YGLQMMYHLBEQEW-SSDOTTSWSA-N 0 0 287.841 4.550 10 0 CJAERN Cc1ccc([C@@H](C)NCc2cc(Cl)ccc2Cl)o1 ZINC000087758922 260225257 /nfs/dbraw/zinc/22/52/57/260225257.db2.gz YEZVRIOAYAQHGA-SNVBAGLBSA-N 0 0 284.186 4.746 10 0 CJAERN Cc1ccc([C@H](C)NCc2cc(Cl)ccc2Cl)o1 ZINC000087758923 260225422 /nfs/dbraw/zinc/22/54/22/260225422.db2.gz YEZVRIOAYAQHGA-JTQLQIEISA-N 0 0 284.186 4.746 10 0 CJAERN Nc1ccc(Cl)cc1-c1cccc(Cl)c1Cl ZINC000088123288 567907343 /nfs/dbraw/zinc/90/73/43/567907343.db2.gz JDSOXBOZCODIED-UHFFFAOYSA-N 0 0 272.562 4.896 10 0 CJAERN FC(F)(F)c1ccc2ccc(Br)cc2c1 ZINC000088247304 179570127 /nfs/dbraw/zinc/57/01/27/179570127.db2.gz QFIKEQGSVOITBU-UHFFFAOYSA-N 0 0 275.067 4.621 10 0 CJAERN COCc1cccc(CNc2ccccc2C(C)C)c1 ZINC000088552554 333090067 /nfs/dbraw/zinc/09/00/67/333090067.db2.gz ZKJJHDPWYKUTPM-UHFFFAOYSA-N 0 0 269.388 4.569 10 0 CJAERN O=C(CSc1ccc2sccc2c1)c1ccccc1 ZINC000089195346 179751316 /nfs/dbraw/zinc/75/13/16/179751316.db2.gz RNYRJFRJJVXFGQ-UHFFFAOYSA-N 0 0 284.405 4.876 10 0 CJAERN FC(F)(F)Oc1ccc(-c2cccc3cc[nH]c32)cc1 ZINC000089209398 179755301 /nfs/dbraw/zinc/75/53/01/179755301.db2.gz DQNBZOCLAMSWQS-UHFFFAOYSA-N 0 0 277.245 4.734 10 0 CJAERN CC(=O)Nc1ccc(NCC2CCC(C)CC2)cc1Cl ZINC000089575887 260188486 /nfs/dbraw/zinc/18/84/86/260188486.db2.gz PAVMXCSYQHYBHC-UHFFFAOYSA-N 0 0 294.826 4.537 10 0 CJAERN Cc1ccccc1-c1cc(Cl)c2cccnc2c1O ZINC000090398791 179981110 /nfs/dbraw/zinc/98/11/10/179981110.db2.gz TWHZEMUOALRLCB-UHFFFAOYSA-N 0 0 269.731 4.569 10 0 CJAERN CCc1c(C)sc2ccc(Br)cc21 ZINC000090415273 179983335 /nfs/dbraw/zinc/98/33/35/179983335.db2.gz VZNRYLCNHFEOQJ-UHFFFAOYSA-N 0 0 255.180 4.535 10 0 CJAERN CCCCN1C(=O)[C@@H](C)S[C@H]1c1cccc2ccccc21 ZINC000090442213 179986222 /nfs/dbraw/zinc/98/62/22/179986222.db2.gz LUFYURUUAUSEFE-ACJLOTCBSA-N 0 0 299.439 4.602 10 0 CJAERN CCCCN1C(=O)[C@@H](C)S[C@@H]1c1cccc2ccccc21 ZINC000090442215 179986504 /nfs/dbraw/zinc/98/65/04/179986504.db2.gz LUFYURUUAUSEFE-FZKQIMNGSA-N 0 0 299.439 4.602 10 0 CJAERN Clc1cc(Nc2ccccc2)c2ccccc2n1 ZINC000090484440 179990852 /nfs/dbraw/zinc/99/08/52/179990852.db2.gz HAVBUBMRCBHFFT-UHFFFAOYSA-N 0 0 254.720 4.632 10 0 CJAERN O=c1cc(-c2ccccc2)oc2cc(Cl)c(Cl)cc12 ZINC000090484537 179990638 /nfs/dbraw/zinc/99/06/38/179990638.db2.gz ZHOKHUPIQOYNLF-UHFFFAOYSA-N 0 0 291.133 4.767 10 0 CJAERN Cc1ccc2occ(/C=C/c3ccc(Cl)cc3)c(=O)c2c1 ZINC000090486067 179991530 /nfs/dbraw/zinc/99/15/30/179991530.db2.gz QSGCWYRSOMUJHC-ZZXKWVIFSA-N 0 0 296.753 4.925 10 0 CJAERN O=c1cc(-c2ccccc2Cl)sc2ccccc12 ZINC000090494860 179993226 /nfs/dbraw/zinc/99/32/26/179993226.db2.gz USXRXWPMADLZAF-UHFFFAOYSA-N 0 0 272.756 4.582 10 0 CJAERN COc1cc2oc(C)c(-c3ccc(C)cc3)c2c(OC)c1 ZINC000090528129 179997807 /nfs/dbraw/zinc/99/78/07/179997807.db2.gz KRISEHTUDHWOCX-UHFFFAOYSA-N 0 0 282.339 4.734 10 0 CJAERN COc1ccc(-c2cc3ccc(C)cc3s2)cc1 ZINC000090547424 180000730 /nfs/dbraw/zinc/00/07/30/180000730.db2.gz RTAHFAMACJXYGZ-UHFFFAOYSA-N 0 0 254.354 4.885 10 0 CJAERN COc1ccc(Nc2cc(Cl)nc3ccccc32)cc1 ZINC000090547839 180001558 /nfs/dbraw/zinc/00/15/58/180001558.db2.gz UEMQUGOKGBUDGQ-UHFFFAOYSA-N 0 0 284.746 4.640 10 0 CJAERN COc1ccc2cc(-c3ccc(C)cc3)sc2c1 ZINC000090548471 180001817 /nfs/dbraw/zinc/00/18/17/180001817.db2.gz KSEFJIFPJSFBSK-UHFFFAOYSA-N 0 0 254.354 4.885 10 0 CJAERN FC(F)(F)c1csc2ccc(Br)cc21 ZINC000090549898 180002774 /nfs/dbraw/zinc/00/27/74/180002774.db2.gz ATSKROKGIXTRAR-UHFFFAOYSA-N 0 0 281.096 4.683 10 0 CJAERN FC(F)(F)c1csc2cc(Br)ccc21 ZINC000090550158 180003130 /nfs/dbraw/zinc/00/31/30/180003130.db2.gz IHIZQRCHIVRLNQ-UHFFFAOYSA-N 0 0 281.096 4.683 10 0 CJAERN Brc1cccc2c3c(sc21)CCCC3 ZINC000090550375 180002465 /nfs/dbraw/zinc/00/24/65/180002465.db2.gz LKVDQGBUYVEECO-UHFFFAOYSA-N 0 0 267.191 4.543 10 0 CJAERN Brc1ccccc2c(-c3ccccc3)cnc1-2 ZINC000090550482 180002444 /nfs/dbraw/zinc/00/24/44/180002444.db2.gz KYKLNEXYNOEMKS-UHFFFAOYSA-N 0 0 284.156 4.616 10 0 CJAERN COc1ccccc1-c1ccc(-c2ccccc2OC)o1 ZINC000090555201 180003821 /nfs/dbraw/zinc/00/38/21/180003821.db2.gz LGBVTPGAVMLUBU-UHFFFAOYSA-N 0 0 280.323 4.631 10 0 CJAERN Fc1cccc2c1ccnc2-c1cnc2ccccc2c1 ZINC000090558660 180004482 /nfs/dbraw/zinc/00/44/82/180004482.db2.gz SBNHQHNXUZJOAZ-UHFFFAOYSA-N 0 0 274.298 4.589 10 0 CJAERN Nc1ccc(-c2oc(-c3ccncc3)c3ccccc32)cc1 ZINC000090599329 180010449 /nfs/dbraw/zinc/01/04/49/180010449.db2.gz FHAXNSQGJNHKRR-UHFFFAOYSA-N 0 0 286.334 4.744 10 0 CJAERN O=C1C[C@H](c2c(Cl)cccc2Cl)Nc2ccccc21 ZINC000090649476 180017701 /nfs/dbraw/zinc/01/77/01/180017701.db2.gz SLKNOYMXIXRSHE-CYBMUJFWSA-N 0 0 292.165 4.733 10 0 CJAERN O=C1C[C@@H](c2c(Cl)cccc2Cl)Nc2ccccc21 ZINC000090649481 180017996 /nfs/dbraw/zinc/01/79/96/180017996.db2.gz SLKNOYMXIXRSHE-ZDUSSCGKSA-N 0 0 292.165 4.733 10 0 CJAERN O=c1cc(-c2ccncc2)oc2ccc(-c3ccccc3)cc12 ZINC000090649588 180017876 /nfs/dbraw/zinc/01/78/76/180017876.db2.gz PGMMSGYJMXEFNI-UHFFFAOYSA-N 0 0 299.329 4.522 10 0 CJAERN O=Cc1ccc(-c2ccc(-c3ccc(C=O)cc3)s2)cc1 ZINC000090669135 180020345 /nfs/dbraw/zinc/02/03/45/180020345.db2.gz VORIIBWJNVKTPM-UHFFFAOYSA-N 0 0 292.359 4.707 10 0 CJAERN c1ccc(C2=C(c3ccccc3)C[C@@H]3COC[C@@H]3C2)cc1 ZINC000090677128 180022255 /nfs/dbraw/zinc/02/22/55/180022255.db2.gz AEDRUKJWCFZLDL-HDICACEKSA-N 0 0 276.379 4.654 10 0 CJAERN c1ccc(C2=C(c3ccccc3)C[C@H]3COC[C@@H]3C2)cc1 ZINC000090677129 180022630 /nfs/dbraw/zinc/02/26/30/180022630.db2.gz AEDRUKJWCFZLDL-ROUUACIJSA-N 0 0 276.379 4.654 10 0 CJAERN c1ccc(C2=C(c3ccccc3)C[C@@H]3COC[C@H]3C2)cc1 ZINC000090677131 180022503 /nfs/dbraw/zinc/02/25/03/180022503.db2.gz AEDRUKJWCFZLDL-QZTJIDSGSA-N 0 0 276.379 4.654 10 0 CJAERN Cc1c(C(C)(C)C)ccc(O)c1Oc1ccccc1 ZINC000090712775 180028371 /nfs/dbraw/zinc/02/83/71/180028371.db2.gz BVFPQCUMPQVLCU-UHFFFAOYSA-N 0 0 256.345 4.790 10 0 CJAERN C=C1S[C@H](c2ccccc2)C(=O)N1c1c(C)cccc1C ZINC000090734497 180033712 /nfs/dbraw/zinc/03/37/12/180033712.db2.gz KOOHPKXTMWZDKE-QGZVFWFLSA-N 0 0 295.407 4.596 10 0 CJAERN C=C1S[C@@H](c2ccccc2)C(=O)N1c1c(C)cccc1C ZINC000090734498 180033812 /nfs/dbraw/zinc/03/38/12/180033812.db2.gz KOOHPKXTMWZDKE-KRWDZBQOSA-N 0 0 295.407 4.596 10 0 CJAERN c1ccc(-c2cc3c(c(-c4ccccn4)n2)CCCC3)cc1 ZINC000090751471 180036336 /nfs/dbraw/zinc/03/63/36/180036336.db2.gz QTGYIUKHNRWBNU-UHFFFAOYSA-N 0 0 286.378 4.689 10 0 CJAERN c1ccc(CCCSc2nc3ccccc3o2)cc1 ZINC000090751618 180036635 /nfs/dbraw/zinc/03/66/35/180036635.db2.gz UYWBNPWMLYQSKH-UHFFFAOYSA-N 0 0 269.369 4.553 10 0 CJAERN Cc1sc(C(=O)CC(C)C)cc1-c1ccccc1 ZINC000090766894 180037539 /nfs/dbraw/zinc/03/75/39/180037539.db2.gz CLZHHXRFVVDYGF-UHFFFAOYSA-N 0 0 258.386 4.952 10 0 CJAERN Cc1ccc(OCCC(C)C)c(-c2csc(=O)s2)c1 ZINC000090769328 180038115 /nfs/dbraw/zinc/03/81/15/180038115.db2.gz VIXRRPVJPIWSNN-UHFFFAOYSA-N 0 0 294.441 4.570 10 0 CJAERN Cc1ccccc1[C@@H](C)Nc1cc(C(F)(F)F)ccn1 ZINC000090803204 260262573 /nfs/dbraw/zinc/26/25/73/260262573.db2.gz AZKJQZVTRYPINI-LLVKDONJSA-N 0 0 280.293 4.582 10 0 CJAERN Cc1ccccc1[C@H](C)Nc1cc(C(F)(F)F)ccn1 ZINC000090803205 260262627 /nfs/dbraw/zinc/26/26/27/260262627.db2.gz AZKJQZVTRYPINI-NSHDSACASA-N 0 0 280.293 4.582 10 0 CJAERN CC[C@H](Nc1cc(C(F)(F)F)ccn1)c1cccs1 ZINC000090803215 260262475 /nfs/dbraw/zinc/26/24/75/260262475.db2.gz LKYBRSAITBVNSD-JTQLQIEISA-N 0 0 286.322 4.725 10 0 CJAERN CC[C@@H](Nc1cc(C(F)(F)F)ccn1)c1cccs1 ZINC000090803217 260262692 /nfs/dbraw/zinc/26/26/92/260262692.db2.gz LKYBRSAITBVNSD-SNVBAGLBSA-N 0 0 286.322 4.725 10 0 CJAERN CCCn1ccc(CNc2cccc3ccccc32)c1 ZINC000091008977 327165143 /nfs/dbraw/zinc/16/51/43/327165143.db2.gz ZHFKRIMQICYEJR-UHFFFAOYSA-N 0 0 264.372 4.663 10 0 CJAERN CCCn1ccc(CNc2ccc(-c3nccs3)cc2)c1 ZINC000091012297 327165408 /nfs/dbraw/zinc/16/54/08/327165408.db2.gz MDOPPVXDGLMCDQ-UHFFFAOYSA-N 0 0 297.427 4.634 10 0 CJAERN CCCn1ccc(CNc2cccc(-c3nccs3)c2)c1 ZINC000091012437 327165267 /nfs/dbraw/zinc/16/52/67/327165267.db2.gz MKXYTWBUCOGZRQ-UHFFFAOYSA-N 0 0 297.427 4.634 10 0 CJAERN Cc1ccc2sc(-c3cccc(Cl)c3)nc2c1 ZINC000091301847 180129434 /nfs/dbraw/zinc/12/94/34/180129434.db2.gz BCUURVXFWQKKKY-UHFFFAOYSA-N 0 0 259.761 4.925 10 0 CJAERN Clc1ccnc(SCc2ccccc2Cl)c1 ZINC000091362019 180141864 /nfs/dbraw/zinc/14/18/64/180141864.db2.gz OUUKYWVFIDFYGY-UHFFFAOYSA-N 0 0 270.184 4.681 10 0 CJAERN Clc1cccc(CSc2cc(Cl)ccn2)c1 ZINC000091362070 180141925 /nfs/dbraw/zinc/14/19/25/180141925.db2.gz LIDRENGHLRBFNQ-UHFFFAOYSA-N 0 0 270.184 4.681 10 0 CJAERN Clc1ccc(CSc2cc(Cl)ccn2)cc1 ZINC000091362104 180141920 /nfs/dbraw/zinc/14/19/20/180141920.db2.gz KXTLPSBPOMVHKX-UHFFFAOYSA-N 0 0 270.184 4.681 10 0 CJAERN Clc1ccc(C2=CCc3cccc(Cl)c32)cc1 ZINC000091366057 180143072 /nfs/dbraw/zinc/14/30/72/180143072.db2.gz KQXXODWVPJGOMS-UHFFFAOYSA-N 0 0 261.151 4.981 10 0 CJAERN COc1cc2c(c(Cl)c1Cl)C(=O)[C@H](C1CCCC1)C2 ZINC000091366523 180143225 /nfs/dbraw/zinc/14/32/25/180143225.db2.gz SPUBKDVUWXVFDX-JTQLQIEISA-N 0 0 299.197 4.547 10 0 CJAERN COc1cc2c(c(Cl)c1Cl)C(=O)[C@@H](C1CCCC1)C2 ZINC000091366524 180142983 /nfs/dbraw/zinc/14/29/83/180142983.db2.gz SPUBKDVUWXVFDX-SNVBAGLBSA-N 0 0 299.197 4.547 10 0 CJAERN Clc1nc(Cl)c2c(cccc2-c2ccccc2)n1 ZINC000091690835 180227358 /nfs/dbraw/zinc/22/73/58/180227358.db2.gz KHCCRSZJWNDCHZ-UHFFFAOYSA-N 0 0 275.138 4.604 10 0 CJAERN Clc1ccc2nc(NCc3cccs3)sc2c1 ZINC000093429186 265180372 /nfs/dbraw/zinc/18/03/72/265180372.db2.gz LLGPYCZYOSFSBY-UHFFFAOYSA-N 0 0 280.805 4.623 10 0 CJAERN Clc1ccc2nc(NCc3ccsc3)sc2c1 ZINC000093429518 265179329 /nfs/dbraw/zinc/17/93/29/265179329.db2.gz QOCPNTWHIIRBCQ-UHFFFAOYSA-N 0 0 280.805 4.623 10 0 CJAERN Cc1c(CNc2ccc(C(C)C)cc2C(C)C)cnn1C ZINC000093649614 265188481 /nfs/dbraw/zinc/18/84/81/265188481.db2.gz ABBSMGPYGVPISB-UHFFFAOYSA-N 0 0 285.435 4.587 10 0 CJAERN C[C@@H](Nc1ncc(Cl)cc1F)c1ccc(Cl)s1 ZINC000094052197 264523339 /nfs/dbraw/zinc/52/33/39/264523339.db2.gz NKVXYTQVWWTZCL-ZCFIWIBFSA-N 0 0 291.178 4.762 10 0 CJAERN C[C@H](Nc1ccncc1Cl)c1cccc(Cl)c1 ZINC000094195499 265223072 /nfs/dbraw/zinc/22/30/72/265223072.db2.gz LIAQHZCQDSDZMT-VIFPVBQESA-N 0 0 267.159 4.562 10 0 CJAERN COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094836634 265261913 /nfs/dbraw/zinc/26/19/13/265261913.db2.gz RIRLJXSSICGDAZ-KBPBESRZSA-N 0 0 287.378 4.555 10 0 CJAERN COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094836636 265261312 /nfs/dbraw/zinc/26/13/12/265261312.db2.gz RIRLJXSSICGDAZ-UONOGXRCSA-N 0 0 287.378 4.555 10 0 CJAERN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2C)cc1F ZINC000094836691 265262309 /nfs/dbraw/zinc/26/23/09/265262309.db2.gz OKUUONPITVJDNQ-LSDHHAIUSA-N 0 0 271.379 4.854 10 0 CJAERN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2C)cc1F ZINC000094836692 265262237 /nfs/dbraw/zinc/26/22/37/265262237.db2.gz OKUUONPITVJDNQ-GJZGRUSLSA-N 0 0 271.379 4.854 10 0 CJAERN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2C)cc1F ZINC000094836693 265262107 /nfs/dbraw/zinc/26/21/07/265262107.db2.gz OKUUONPITVJDNQ-HUUCEWRRSA-N 0 0 271.379 4.854 10 0 CJAERN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)cc1F ZINC000094836694 265261770 /nfs/dbraw/zinc/26/17/70/265261770.db2.gz OKUUONPITVJDNQ-CABCVRRESA-N 0 0 271.379 4.854 10 0 CJAERN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2)cc1F ZINC000094836779 265261302 /nfs/dbraw/zinc/26/13/02/265261302.db2.gz ZEEKYDKLFBPQAQ-QWHCGFSZSA-N 0 0 275.342 4.685 10 0 CJAERN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2)cc1F ZINC000094836780 265261544 /nfs/dbraw/zinc/26/15/44/265261544.db2.gz ZEEKYDKLFBPQAQ-STQMWFEESA-N 0 0 275.342 4.685 10 0 CJAERN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)cc1F ZINC000094836781 265261901 /nfs/dbraw/zinc/26/19/01/265261901.db2.gz ZEEKYDKLFBPQAQ-CHWSQXEVSA-N 0 0 275.342 4.685 10 0 CJAERN Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(F)c2)cc1F ZINC000094836782 265261557 /nfs/dbraw/zinc/26/15/57/265261557.db2.gz ZEEKYDKLFBPQAQ-OLZOCXBDSA-N 0 0 275.342 4.685 10 0 CJAERN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccs2)cc1F ZINC000094836784 265262497 /nfs/dbraw/zinc/26/24/97/265262497.db2.gz POGGAXLVWOVOQG-RYUDHWBXSA-N 0 0 263.381 4.607 10 0 CJAERN Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccs2)cc1F ZINC000094836786 265262514 /nfs/dbraw/zinc/26/25/14/265262514.db2.gz POGGAXLVWOVOQG-NWDGAFQWSA-N 0 0 263.381 4.607 10 0 CJAERN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2F)cc1F ZINC000094836981 265261816 /nfs/dbraw/zinc/26/18/16/265261816.db2.gz FAQOZEAWDATSQC-NEPJUHHUSA-N 0 0 293.332 4.824 10 0 CJAERN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2F)cc1F ZINC000094836982 265261936 /nfs/dbraw/zinc/26/19/36/265261936.db2.gz FAQOZEAWDATSQC-RYUDHWBXSA-N 0 0 293.332 4.824 10 0 CJAERN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2F)cc1F ZINC000094836983 265261517 /nfs/dbraw/zinc/26/15/17/265261517.db2.gz FAQOZEAWDATSQC-VXGBXAGGSA-N 0 0 293.332 4.824 10 0 CJAERN Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2F)cc1F ZINC000094836984 265261950 /nfs/dbraw/zinc/26/19/50/265261950.db2.gz FAQOZEAWDATSQC-NWDGAFQWSA-N 0 0 293.332 4.824 10 0 CJAERN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)cc1F ZINC000094837023 265261670 /nfs/dbraw/zinc/26/16/70/265261670.db2.gz PODLCGRZNSDTEO-NEPJUHHUSA-N 0 0 293.332 4.824 10 0 CJAERN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)cc1F ZINC000094837024 265261449 /nfs/dbraw/zinc/26/14/49/265261449.db2.gz PODLCGRZNSDTEO-RYUDHWBXSA-N 0 0 293.332 4.824 10 0 CJAERN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)cc1F ZINC000094837025 265261983 /nfs/dbraw/zinc/26/19/83/265261983.db2.gz PODLCGRZNSDTEO-VXGBXAGGSA-N 0 0 293.332 4.824 10 0 CJAERN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)cc1F ZINC000094837026 265262541 /nfs/dbraw/zinc/26/25/41/265262541.db2.gz PODLCGRZNSDTEO-NWDGAFQWSA-N 0 0 293.332 4.824 10 0 CJAERN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1F ZINC000094837027 265262060 /nfs/dbraw/zinc/26/20/60/265262060.db2.gz VYHSVYBCOXEBKH-NEPJUHHUSA-N 0 0 293.332 4.824 10 0 CJAERN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1F ZINC000094837028 265262592 /nfs/dbraw/zinc/26/25/92/265262592.db2.gz VYHSVYBCOXEBKH-RYUDHWBXSA-N 0 0 293.332 4.824 10 0 CJAERN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1F ZINC000094837029 265261388 /nfs/dbraw/zinc/26/13/88/265261388.db2.gz VYHSVYBCOXEBKH-VXGBXAGGSA-N 0 0 293.332 4.824 10 0 CJAERN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1F ZINC000094837030 265262750 /nfs/dbraw/zinc/26/27/50/265262750.db2.gz VYHSVYBCOXEBKH-NWDGAFQWSA-N 0 0 293.332 4.824 10 0 CJAERN COc1ccc(F)c(N[C@@H](c2ccc(F)cc2)C2CC2)c1 ZINC000094854186 265263693 /nfs/dbraw/zinc/26/36/93/265263693.db2.gz RTFWMDWDACPCOJ-QGZVFWFLSA-N 0 0 289.325 4.537 10 0 CJAERN COc1ccc(F)c(N[C@H](c2ccc(F)cc2)C2CC2)c1 ZINC000094854187 265263774 /nfs/dbraw/zinc/26/37/74/265263774.db2.gz RTFWMDWDACPCOJ-KRWDZBQOSA-N 0 0 289.325 4.537 10 0 CJAERN COc1ccc(F)c(N[C@@H](C)c2ccc(Cl)s2)c1 ZINC000094854329 265264204 /nfs/dbraw/zinc/26/42/04/265264204.db2.gz JIVSYFHBLVSWAT-QMMMGPOBSA-N 0 0 285.771 4.722 10 0 CJAERN COc1ccc(F)c(N[C@H](C)c2ccc(Cl)s2)c1 ZINC000094854330 265263347 /nfs/dbraw/zinc/26/33/47/265263347.db2.gz JIVSYFHBLVSWAT-MRVPVSSYSA-N 0 0 285.771 4.722 10 0 CJAERN COc1ccc(F)c(N[C@@H](C)c2cc(C)sc2C)c1 ZINC000094854863 328626828 /nfs/dbraw/zinc/62/68/28/328626828.db2.gz JZHYITZBTMDZAL-JTQLQIEISA-N 0 0 279.380 4.686 10 0 CJAERN COc1ccc(F)c(N[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000094855808 265266257 /nfs/dbraw/zinc/26/62/57/265266257.db2.gz HZYIOFKETHHDSK-AWEZNQCLSA-N 0 0 299.267 4.550 10 0 CJAERN COc1ccc(F)c(N[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000094855809 265266043 /nfs/dbraw/zinc/26/60/43/265266043.db2.gz HZYIOFKETHHDSK-CQSZACIVSA-N 0 0 299.267 4.550 10 0 CJAERN Cc1cscc1CN[C@H](c1ccco1)c1ccccc1 ZINC000094877323 265269399 /nfs/dbraw/zinc/26/93/99/265269399.db2.gz IBARXNYVDNTBRY-KRWDZBQOSA-N 0 0 283.396 4.529 10 0 CJAERN Cc1cscc1CN[C@@H](c1ccco1)c1ccccc1 ZINC000094877324 265269815 /nfs/dbraw/zinc/26/98/15/265269815.db2.gz IBARXNYVDNTBRY-QGZVFWFLSA-N 0 0 283.396 4.529 10 0 CJAERN Cc1cccc(COc2cc(Cl)ccc2Cl)c1 ZINC000095080884 184937468 /nfs/dbraw/zinc/93/74/68/184937468.db2.gz WQDCRGJBMCFPME-UHFFFAOYSA-N 0 0 267.155 4.881 10 0 CJAERN Clc1ccc(Cl)c(OCC2CCCCC2)c1 ZINC000095082125 184937881 /nfs/dbraw/zinc/93/78/81/184937881.db2.gz YSWLUPGQVAFYAM-UHFFFAOYSA-N 0 0 259.176 4.953 10 0 CJAERN COc1ccc(CCOc2cc(Cl)ccc2Cl)cc1 ZINC000095082207 184938024 /nfs/dbraw/zinc/93/80/24/184938024.db2.gz PRBAUEJUSRBPIK-UHFFFAOYSA-N 0 0 297.181 4.624 10 0 CJAERN CC(C)(C)SCC(=O)c1cccc2ccccc21 ZINC000095082511 184938381 /nfs/dbraw/zinc/93/83/81/184938381.db2.gz BMHZTGXMZPZCHN-UHFFFAOYSA-N 0 0 258.386 4.554 10 0 CJAERN O=C(CSC1CCCC1)c1cccc2ccccc21 ZINC000095082512 184938266 /nfs/dbraw/zinc/93/82/66/184938266.db2.gz MWLGMEBVHUAUCU-UHFFFAOYSA-N 0 0 270.397 4.698 10 0 CJAERN Clc1nccc(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000095560028 185009534 /nfs/dbraw/zinc/00/95/34/185009534.db2.gz BYLWBKQBRVBEQO-UHFFFAOYSA-N 0 0 297.745 4.666 10 0 CJAERN c1ccc(CCc2cccc(CCc3ccccc3)n2)cc1 ZINC000095581372 185011094 /nfs/dbraw/zinc/01/10/94/185011094.db2.gz BTLPCKQSQHIHRK-UHFFFAOYSA-N 0 0 287.406 4.652 10 0 CJAERN O=Cc1ccccc1-c1cccc(-c2ccccc2)c1 ZINC000095597872 185014985 /nfs/dbraw/zinc/01/49/85/185014985.db2.gz CRWXROLBMOKXCM-UHFFFAOYSA-N 0 0 258.320 4.833 10 0 CJAERN Clc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000095629807 185017002 /nfs/dbraw/zinc/01/70/02/185017002.db2.gz LYCPQRWCXNZZKX-UHFFFAOYSA-N 0 0 283.552 4.895 10 0 CJAERN Cc1cc(-c2ccccc2C(F)(F)F)cc(Cl)n1 ZINC000095643012 185017226 /nfs/dbraw/zinc/01/72/26/185017226.db2.gz SVZVMJAFQAXKBP-UHFFFAOYSA-N 0 0 271.669 4.729 10 0 CJAERN Cc1cc(-c2cccc(C(F)(F)F)c2)cc(Cl)n1 ZINC000095643013 185017335 /nfs/dbraw/zinc/01/73/35/185017335.db2.gz GPEKCJLIQGVISN-UHFFFAOYSA-N 0 0 271.669 4.729 10 0 CJAERN Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(Cl)n1 ZINC000095643014 185017240 /nfs/dbraw/zinc/01/72/40/185017240.db2.gz JBXIUIRRHAREKY-UHFFFAOYSA-N 0 0 271.669 4.729 10 0 CJAERN Br/C=C/c1cccc(OCc2ccccc2)c1 ZINC000095762492 185026659 /nfs/dbraw/zinc/02/66/59/185026659.db2.gz BOQKZPNVKISALU-MDZDMXLPSA-N 0 0 289.172 4.631 10 0 CJAERN Cc1ccc(O)c(-n2c3ccccc3c3ccccc32)c1 ZINC000095830643 185028681 /nfs/dbraw/zinc/02/86/81/185028681.db2.gz UKPSQOZZEVCTLS-UHFFFAOYSA-N 0 0 273.335 4.798 10 0 CJAERN COc1ccc(-c2c(C)[nH]c3cc(C)c(C)cc32)cc1 ZINC000095831363 185029821 /nfs/dbraw/zinc/02/98/21/185029821.db2.gz IXYUVITVFPOFJT-UHFFFAOYSA-N 0 0 265.356 4.769 10 0 CJAERN O=Cc1c(-c2ccc(F)cc2)oc2ccc(Cl)c(F)c12 ZINC000095835607 185029995 /nfs/dbraw/zinc/02/99/95/185029995.db2.gz YRTXTTXJLNZOLI-UHFFFAOYSA-N 0 0 292.668 4.844 10 0 CJAERN COc1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000095916029 185030996 /nfs/dbraw/zinc/03/09/96/185030996.db2.gz IZHWFICUUKVHIE-UHFFFAOYSA-N 0 0 288.346 4.593 10 0 CJAERN O=C(c1cccc(Cl)c1)c1ccc(Cl)cc1Cl ZINC000095916611 185030768 /nfs/dbraw/zinc/03/07/68/185030768.db2.gz WHSSRZBPQFWATI-UHFFFAOYSA-N 0 0 285.557 4.878 10 0 CJAERN Cc1cc(C(=O)c2ccc(Cl)cc2Cl)ccc1F ZINC000095917016 185030640 /nfs/dbraw/zinc/03/06/40/185030640.db2.gz NLXODPSXKYCOLH-UHFFFAOYSA-N 0 0 283.129 4.672 10 0 CJAERN Cc1ccc(F)cc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000095917039 185031236 /nfs/dbraw/zinc/03/12/36/185031236.db2.gz ZSNBGRJMKJYDGR-UHFFFAOYSA-N 0 0 283.129 4.672 10 0 CJAERN CC(C)c1ccc(C(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000095917066 185030725 /nfs/dbraw/zinc/03/07/25/185030725.db2.gz RSOFOOYKLWFQTQ-UHFFFAOYSA-N 0 0 276.738 4.834 10 0 CJAERN CCCCCC(=O)c1ccc2cc(OC)ccc2c1 ZINC000095917124 185030765 /nfs/dbraw/zinc/03/07/65/185030765.db2.gz XLSCNFONGIKFLT-UHFFFAOYSA-N 0 0 256.345 4.611 10 0 CJAERN O=C(c1cccc2ccccc21)c1ccc(O)c2ccccc12 ZINC000095917655 185030759 /nfs/dbraw/zinc/03/07/59/185030759.db2.gz YFYYABPKWABGQX-UHFFFAOYSA-N 0 0 298.341 4.930 10 0 CJAERN FC(F)(F)Sc1ccc(Cl)c(C(F)(F)F)c1 ZINC000095918018 185030648 /nfs/dbraw/zinc/03/06/48/185030648.db2.gz NUEHIOLWKPXPMO-UHFFFAOYSA-N 0 0 280.620 4.971 10 0 CJAERN FC(F)(F)Sc1ccc(Cl)cc1C(F)(F)F ZINC000095918019 185030719 /nfs/dbraw/zinc/03/07/19/185030719.db2.gz FUJXQFHBRXWJLX-UHFFFAOYSA-N 0 0 280.620 4.971 10 0 CJAERN Cc1c(C)n(-c2c(C)cccc2C)c2nc(C)nc(Cl)c12 ZINC000095919604 185031879 /nfs/dbraw/zinc/03/18/79/185031879.db2.gz FOCWLHRDPBOCLK-UHFFFAOYSA-N 0 0 299.805 4.616 10 0 CJAERN Cc1c(C)n(-c2ccc(C)cc2C)c2nc(C)nc(Cl)c12 ZINC000095919605 185031845 /nfs/dbraw/zinc/03/18/45/185031845.db2.gz ZLADVHPRBNEXGJ-UHFFFAOYSA-N 0 0 299.805 4.616 10 0 CJAERN Clc1cnc(Cl)c(Cl)c1OCc1ccccc1 ZINC000095929559 185031839 /nfs/dbraw/zinc/03/18/39/185031839.db2.gz RBFIPHHNRWBKJJ-UHFFFAOYSA-N 0 0 288.561 4.621 10 0 CJAERN Cc1ccc(C2=C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC000095929931 185031889 /nfs/dbraw/zinc/03/18/89/185031889.db2.gz INYGGFZVLKTGSJ-SJORKVTESA-N 0 0 299.414 4.550 10 0 CJAERN Fc1ccc2[nH]c(C(F)(F)F)c(-c3ccccc3)c2c1 ZINC000095930884 185032939 /nfs/dbraw/zinc/03/29/39/185032939.db2.gz CKUDBDNVMABDCD-UHFFFAOYSA-N 0 0 279.236 4.993 10 0 CJAERN N=CN(c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000095932060 185032901 /nfs/dbraw/zinc/03/29/01/185032901.db2.gz MUQXUUDJKUYGLT-UHFFFAOYSA-N 0 0 265.143 4.739 10 0 CJAERN CCCCc1cc2cc(Br)ccc2o1 ZINC000095932383 185032929 /nfs/dbraw/zinc/03/29/29/185032929.db2.gz IMOHWINZXBFBEV-UHFFFAOYSA-N 0 0 253.139 4.538 10 0 CJAERN Clc1cc(Br)ccc1-c1ccccc1 ZINC000095932679 185032275 /nfs/dbraw/zinc/03/22/75/185032275.db2.gz NLESZJUUVXZAAH-UHFFFAOYSA-N 0 0 267.553 4.770 10 0 CJAERN O=C(c1cccc(F)c1C1CC1)c1cccc(F)c1C1CC1 ZINC000095934038 185033737 /nfs/dbraw/zinc/03/37/37/185033737.db2.gz MYHXTUXDVQAHOM-UHFFFAOYSA-N 0 0 298.332 4.951 10 0 CJAERN CCC(OC(C)=S)(c1ccccc1)c1ccccc1 ZINC000095934205 185033469 /nfs/dbraw/zinc/03/34/69/185033469.db2.gz AKWRABPRMOQTDZ-UHFFFAOYSA-N 0 0 270.397 4.704 10 0 CJAERN CN(c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000095934399 185033080 /nfs/dbraw/zinc/03/30/80/185033080.db2.gz LJUDPTYNVWWHRL-UHFFFAOYSA-N 0 0 252.144 4.761 10 0 CJAERN Cc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000095934709 185033650 /nfs/dbraw/zinc/03/36/50/185033650.db2.gz GZPHCGDZZUOIAE-UHFFFAOYSA-N 0 0 263.134 4.550 10 0 CJAERN Brc1ccc(-c2cc3ccccc3s2)nc1 ZINC000095934805 185033527 /nfs/dbraw/zinc/03/35/27/185033527.db2.gz LJLCJXBZJXNSLH-UHFFFAOYSA-N 0 0 290.185 4.726 10 0 CJAERN COc1cc(-c2nc3ccccc3n2C2CC2)ccc1Cl ZINC000095934889 185033165 /nfs/dbraw/zinc/03/31/65/185033165.db2.gz LZDADJQCZRATAJ-UHFFFAOYSA-N 0 0 298.773 4.700 10 0 CJAERN c1ccc2sc(-c3ccnc4ccccc43)nc2c1 ZINC000095935528 185033213 /nfs/dbraw/zinc/03/32/13/185033213.db2.gz DVNVHWRCZKWSDS-UHFFFAOYSA-N 0 0 262.337 4.512 10 0 CJAERN COc1ccc(-c2nc3cc(Cl)ccc3s2)cc1 ZINC000095935694 185033817 /nfs/dbraw/zinc/03/38/17/185033817.db2.gz WWTPXFOVXNWHQY-UHFFFAOYSA-N 0 0 275.760 4.625 10 0 CJAERN Brc1ccc(OC/C=C\c2ccccc2)cc1 ZINC000095936585 185034431 /nfs/dbraw/zinc/03/44/31/185034431.db2.gz NUVUDMSLAZKYOR-DAXSKMNVSA-N 0 0 289.172 4.541 10 0 CJAERN Brc1cccc(OC/C=C\c2ccccc2)c1 ZINC000095936586 185034583 /nfs/dbraw/zinc/03/45/83/185034583.db2.gz UJFWYDVKOBUKNJ-YVMONPNESA-N 0 0 289.172 4.541 10 0 CJAERN Cl/C=C\COc1ccc2ccccc2c1Br ZINC000095938662 185035195 /nfs/dbraw/zinc/03/51/95/185035195.db2.gz QAAYZYXITYGUAG-BAQGIRSFSA-N 0 0 297.579 4.734 10 0 CJAERN Clc1cccc(-c2ncc3ccccc3n2)c1Cl ZINC000096028903 185067566 /nfs/dbraw/zinc/06/75/66/185067566.db2.gz KEVVEUABVWJKRF-UHFFFAOYSA-N 0 0 275.138 4.604 10 0 CJAERN Clc1ccc(-c2ncc3ccccc3n2)c(Cl)c1 ZINC000096028904 185067542 /nfs/dbraw/zinc/06/75/42/185067542.db2.gz MMPNQSKBJXCPIR-UHFFFAOYSA-N 0 0 275.138 4.604 10 0 CJAERN Clc1ccc(Cl)c(-c2ncc3ccccc3n2)c1 ZINC000096028905 185067340 /nfs/dbraw/zinc/06/73/40/185067340.db2.gz YDAQLOOQZWVXEU-UHFFFAOYSA-N 0 0 275.138 4.604 10 0 CJAERN Clc1cccc(Cl)c1-c1ncc2ccccc2n1 ZINC000096028906 185067266 /nfs/dbraw/zinc/06/72/66/185067266.db2.gz WMXFSJJIIIFYCH-UHFFFAOYSA-N 0 0 275.138 4.604 10 0 CJAERN Clc1cc2ccccc2c(NCc2ccccc2)n1 ZINC000096844724 185117312 /nfs/dbraw/zinc/11/73/12/185117312.db2.gz FBSQCWPHRXUUGK-UHFFFAOYSA-N 0 0 268.747 4.500 10 0 CJAERN Cc1ccc2c(ccnc2Nc2cccc(Cl)c2)c1N ZINC000096846254 185117236 /nfs/dbraw/zinc/11/72/36/185117236.db2.gz BWEOVFALIZBEEB-UHFFFAOYSA-N 0 0 283.762 4.522 10 0 CJAERN Cc1ccc2c(ccnc2Nc2ccc(Cl)cc2)c1N ZINC000096846256 185116908 /nfs/dbraw/zinc/11/69/08/185116908.db2.gz DAGZHANGSFFOOG-UHFFFAOYSA-N 0 0 283.762 4.522 10 0 CJAERN CC(C)c1ccc2c(Br)cnc(Cl)c2c1 ZINC000096856506 567040972 /nfs/dbraw/zinc/04/09/72/567040972.db2.gz ALFFDLDVNKYGJR-UHFFFAOYSA-N 0 0 284.584 4.774 10 0 CJAERN CC(C)(C)c1ccc2c(Br)cnc(Cl)c2c1 ZINC000096856511 567041031 /nfs/dbraw/zinc/04/10/31/567041031.db2.gz MQMSLURYOAKFLI-UHFFFAOYSA-N 0 0 298.611 4.948 10 0 CJAERN Cc1ccc2c(c1)/C(=C\c1ccc(C(C)(C)C)cc1)C(=O)N2 ZINC000096892608 185125046 /nfs/dbraw/zinc/12/50/46/185125046.db2.gz RMHHLJOBJAHRMS-SFQUDFHCSA-N 0 0 291.394 4.785 10 0 CJAERN Clc1ccc(-c2cc(Br)cs2)cc1 ZINC000096918646 330381659 /nfs/dbraw/zinc/38/16/59/330381659.db2.gz LBAOBRYHQWGHQE-UHFFFAOYSA-N 0 0 273.582 4.831 10 0 CJAERN Fc1cccc(-n2c3ccccc3c3ccccc32)c1 ZINC000096937722 185133241 /nfs/dbraw/zinc/13/32/41/185133241.db2.gz YCPDJJWGODNLJK-UHFFFAOYSA-N 0 0 261.299 4.923 10 0 CJAERN Clc1ccccc1-c1csc(Br)c1 ZINC000096943860 185133558 /nfs/dbraw/zinc/13/35/58/185133558.db2.gz POSYUUMVGRRUHA-UHFFFAOYSA-N 0 0 273.582 4.831 10 0 CJAERN Brc1cc2sc3ccccc3c2s1 ZINC000096946056 185135692 /nfs/dbraw/zinc/13/56/92/185135692.db2.gz IHKDAMZNSJZSMK-UHFFFAOYSA-N 0 0 269.188 4.879 10 0 CJAERN CCc1ccc(-c2csc(Br)c2)cc1 ZINC000096947446 185136770 /nfs/dbraw/zinc/13/67/70/185136770.db2.gz AAHPNRDPUNUCFU-UHFFFAOYSA-N 0 0 267.191 4.740 10 0 CJAERN Cc1ccc(-c2csc(Br)c2)c(C)c1 ZINC000096947448 185136520 /nfs/dbraw/zinc/13/65/20/185136520.db2.gz CXLKGUNZGBIMHA-UHFFFAOYSA-N 0 0 267.191 4.794 10 0 CJAERN Cc1cc(C)cc(-c2csc(Br)c2)c1 ZINC000096947449 185136383 /nfs/dbraw/zinc/13/63/83/185136383.db2.gz SZRRGINVXKYSCB-UHFFFAOYSA-N 0 0 267.191 4.794 10 0 CJAERN CCc1ccccc1-c1csc(Br)c1 ZINC000096947450 185136496 /nfs/dbraw/zinc/13/64/96/185136496.db2.gz JLCWKCGQCPTAKN-UHFFFAOYSA-N 0 0 267.191 4.740 10 0 CJAERN OC1(C2(Sc3ccccc3)CC2)CCCCCCC1 ZINC000097757670 185661825 /nfs/dbraw/zinc/66/18/25/185661825.db2.gz YKVGNWQCYOBEAC-UHFFFAOYSA-N 0 0 276.445 4.787 10 0 CJAERN CC[C@H](C)[C@H](C(=O)N[C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC000098076791 185683223 /nfs/dbraw/zinc/68/32/23/185683223.db2.gz XWHMYCBGTVJSAN-YEWWUXTCSA-N 0 0 299.414 4.595 10 0 CJAERN COc1ccc(-c2cc3ccccc3c(=S)o2)cc1 ZINC000098083462 185684845 /nfs/dbraw/zinc/68/48/45/185684845.db2.gz XYTKNWYWECMBKN-UHFFFAOYSA-N 0 0 268.337 4.838 10 0 CJAERN CCC(=O)c1ccc(-c2ccc(F)c(Cl)c2)cc1 ZINC000098169736 185696737 /nfs/dbraw/zinc/69/67/37/185696737.db2.gz ARXKMGIEARKUNV-UHFFFAOYSA-N 0 0 262.711 4.739 10 0 CJAERN FC(F)(F)c1ccc2oc(-c3ccnc(Cl)c3)nc2c1 ZINC000098177991 185697799 /nfs/dbraw/zinc/69/77/99/185697799.db2.gz QFVAPCDYKKHYKG-UHFFFAOYSA-N 0 0 298.651 4.562 10 0 CJAERN c1ccc(N2CCC[C@H](CC3CCCCC3)C2)cc1 ZINC000098178606 136523470 /nfs/dbraw/zinc/52/34/70/136523470.db2.gz IXFFVPSFOFCNJZ-QGZVFWFLSA-N 0 0 257.421 4.873 10 0 CJAERN c1ccc(N2CCC[C@@H](CC3CCCCC3)C2)cc1 ZINC000098178607 136523645 /nfs/dbraw/zinc/52/36/45/136523645.db2.gz IXFFVPSFOFCNJZ-KRWDZBQOSA-N 0 0 257.421 4.873 10 0 CJAERN Fc1ccc(-c2ccc3nc(Cl)nc(Cl)c3c2)cc1 ZINC000098178744 570351347 /nfs/dbraw/zinc/35/13/47/570351347.db2.gz VBRDNBPYJDRMSK-UHFFFAOYSA-N 0 0 293.128 4.743 10 0 CJAERN c1ccc(-c2[nH]c3cnccc3c2-c2ccccc2)cc1 ZINC000098179054 185698645 /nfs/dbraw/zinc/69/86/45/185698645.db2.gz VFTXQRZMABGZOG-UHFFFAOYSA-N 0 0 270.335 4.897 10 0 CJAERN Brc1cnc(-c2cccc3ccccc32)s1 ZINC000098179166 185698554 /nfs/dbraw/zinc/69/85/54/185698554.db2.gz APGJLGLRNBPBHG-UHFFFAOYSA-N 0 0 290.185 4.726 10 0 CJAERN c1ccc(-c2nnc3c(c2-c2ccccc2)CCCC3)cc1 ZINC000098180005 185698015 /nfs/dbraw/zinc/69/80/15/185698015.db2.gz DGBJDXUXOVOQCZ-UHFFFAOYSA-N 0 0 286.378 4.689 10 0 CJAERN Cc1nc2cc(Cl)c(Cl)cc2nc1-c1ccccc1 ZINC000098180447 185698893 /nfs/dbraw/zinc/69/88/93/185698893.db2.gz KTIJJZINHYOTRR-UHFFFAOYSA-N 0 0 289.165 4.912 10 0 CJAERN c1[nH]c2cnccc2c1Cc1ccc(-c2ccccc2)cc1 ZINC000098181333 185699298 /nfs/dbraw/zinc/69/92/98/185699298.db2.gz YYYDIHJDTHUQBT-UHFFFAOYSA-N 0 0 284.362 4.821 10 0 CJAERN FC(F)(F)C(F)(F)CCCSCc1ccccc1 ZINC000098210506 567911594 /nfs/dbraw/zinc/91/15/94/567911594.db2.gz JRJMPWNQCMBRAP-UHFFFAOYSA-N 0 0 284.293 4.898 10 0 CJAERN c1ccc2sc(C3Nc4ccccc4S3)nc2c1 ZINC000100011368 185701704 /nfs/dbraw/zinc/70/17/04/185701704.db2.gz ZIPOMADKODWVMB-BUHFOSPRSA-N 0 0 270.382 4.549 10 0 CJAERN c1ccc2sc(C3Nc4ccccc4S3)nc2c1 ZINC000100011372 185701672 /nfs/dbraw/zinc/70/16/72/185701672.db2.gz ZIPOMADKODWVMB-YPKPFQOOSA-N 0 0 270.382 4.549 10 0 CJAERN C[C@@]12CCC[C@H]1[C@@H]1CCc3cc(O)ccc3[C@H]1CC2 ZINC000100085831 185704813 /nfs/dbraw/zinc/70/48/13/185704813.db2.gz HJKVPZJVBHWFCQ-BDXSIMOUSA-N 0 0 256.389 4.638 10 0 in-vitro CJAERN Cc1ccc2nc(Sc3ccccc3)ccc2c1 ZINC000100675376 185722559 /nfs/dbraw/zinc/72/25/59/185722559.db2.gz MGBKIXGPXJZRIR-UHFFFAOYSA-N 0 0 251.354 4.694 10 0 CJAERN Cc1ccnc2c1CCC/C2=C/c1ccnc2ccccc12 ZINC000100788830 185725676 /nfs/dbraw/zinc/72/56/76/185725676.db2.gz BHBSQPCLNGVHQV-SSZFMOIBSA-N 0 0 286.378 4.815 10 0 CJAERN Cc1sc(N)c(-c2nc3cc(C)ccc3s2)c1C ZINC000101597263 185748804 /nfs/dbraw/zinc/74/88/04/185748804.db2.gz HUMCUNRALFOGEY-UHFFFAOYSA-N 0 0 274.414 4.532 10 0 CJAERN Cc1cc(-c2nc3ccccc3o2)ccc1Br ZINC000102159136 567217444 /nfs/dbraw/zinc/21/74/44/567217444.db2.gz MJSIMDPANRSTQD-UHFFFAOYSA-N 0 0 288.144 4.566 10 0 CJAERN CC(C)n1c2ccc(Cl)cc2nc1-c1ccsc1N ZINC000102939287 185799497 /nfs/dbraw/zinc/79/94/97/185799497.db2.gz WJXXGVYOYFBEAS-UHFFFAOYSA-N 0 0 291.807 4.581 10 0 CJAERN CCCCCCc1cc(-c2ccccn2)c(N)s1 ZINC000103066742 185805153 /nfs/dbraw/zinc/80/51/53/185805153.db2.gz SKKMFVWGGVOFPK-UHFFFAOYSA-N 0 0 260.406 4.515 10 0 CJAERN CCCCCCc1sc(N)c(-c2ccccn2)c1C ZINC000103067651 185805932 /nfs/dbraw/zinc/80/59/32/185805932.db2.gz FJHHTOHALUMCHQ-UHFFFAOYSA-N 0 0 274.433 4.824 10 0 CJAERN C[C@@H](NC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000103181543 185814210 /nfs/dbraw/zinc/81/42/10/185814210.db2.gz JXBGBRTYYLVLAN-CQSZACIVSA-N 0 0 296.414 4.867 10 0 CJAERN CC(C)n1cncc1-c1ccccc1OCc1ccccc1 ZINC000103191975 567837783 /nfs/dbraw/zinc/83/77/83/567837783.db2.gz VBHQWCQEWWWCOU-UHFFFAOYSA-N 0 0 292.382 4.710 10 0 CJAERN COc1ccc(-c2cc(-c3ccccc3Cl)no2)cc1 ZINC000103198302 185815560 /nfs/dbraw/zinc/81/55/60/185815560.db2.gz ZKIOWNZTNMTYDS-UHFFFAOYSA-N 0 0 285.730 4.671 10 0 CJAERN c1[nH]c2ncc(-c3ccccc3)cc2c1-c1ccccc1 ZINC000103237597 185819475 /nfs/dbraw/zinc/81/94/75/185819475.db2.gz JXEPUZVUZPLZMS-UHFFFAOYSA-N 0 0 270.335 4.897 10 0 CJAERN CC(C)(C)c1cc2cc(Cl)cc(F)c2nc1Cl ZINC000103915733 185859793 /nfs/dbraw/zinc/85/97/93/185859793.db2.gz CDWRRGAQLIHVJC-UHFFFAOYSA-N 0 0 272.150 4.978 10 0 CJAERN CNc1nc2c(ccc(Cl)c2Cl)cc1C(C)(C)C ZINC000103916756 185860517 /nfs/dbraw/zinc/86/05/17/185860517.db2.gz JSQGXJQAPNVKRG-UHFFFAOYSA-N 0 0 283.202 4.881 10 0 CJAERN CC(C)CCC[C@@H](C)n1c(Cl)nnc1C(C)(C)C ZINC000103917891 185860215 /nfs/dbraw/zinc/86/02/15/185860215.db2.gz MEXZRWVTRVYYMZ-LLVKDONJSA-N 0 0 271.836 4.616 10 0 CJAERN COc1ccc(Cl)c2nc(Cl)c(C(C)(C)C)cc12 ZINC000103920300 185861067 /nfs/dbraw/zinc/86/10/67/185861067.db2.gz BKBGAAAKXHOXCU-UHFFFAOYSA-N 0 0 284.186 4.848 10 0 CJAERN C[C@H](c1cccs1)N(C)c1ccc([C@H](C)O)cc1Cl ZINC000103923259 185861989 /nfs/dbraw/zinc/86/19/89/185861989.db2.gz OVEZBWPEUBVSIR-MNOVXSKESA-N 0 0 295.835 4.652 10 0 CJAERN Cc1cc([C@H](C)n2c(Cl)nnc2C(C)(C)C)c(C)s1 ZINC000103925646 185862314 /nfs/dbraw/zinc/86/23/14/185862314.db2.gz FJSNBLBUWSOMCJ-VIFPVBQESA-N 0 0 297.855 4.517 10 0 CJAERN C[C@H]1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000103929360 185863388 /nfs/dbraw/zinc/86/33/88/185863388.db2.gz PGTWCEOODCKXKN-JQWIXIFHSA-N 0 0 270.294 4.714 10 0 CJAERN Cc1cccc([C@H](O)Cc2ccc(Cl)c(Cl)c2)c1C ZINC000103929440 185863352 /nfs/dbraw/zinc/86/33/52/185863352.db2.gz IBYKZMVXRMQDLQ-MRXNPFEDSA-N 0 0 295.209 4.886 10 0 CJAERN Cc1cccc([C@@H](O)Cc2ccc(Cl)c(Cl)c2)c1C ZINC000103929446 185863467 /nfs/dbraw/zinc/86/34/67/185863467.db2.gz IBYKZMVXRMQDLQ-INIZCTEOSA-N 0 0 295.209 4.886 10 0 CJAERN Cc1nc(Cl)cc(Sc2ccc3ccccc3c2)n1 ZINC000103930440 185862936 /nfs/dbraw/zinc/86/29/36/185862936.db2.gz NSEXRSXUXNXWBS-UHFFFAOYSA-N 0 0 286.787 4.743 10 0 CJAERN Cc1cc(C)cc(C2(O)CCC(C(C)(C)C)CC2)c1 ZINC000103930582 185863588 /nfs/dbraw/zinc/86/35/88/185863588.db2.gz JFIWFBTVKURRBB-UHFFFAOYSA-N 0 0 260.421 4.727 10 0 CJAERN Cc1ccccc1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000103930735 185863239 /nfs/dbraw/zinc/86/32/39/185863239.db2.gz WJQOUMOPXBUNKD-UHFFFAOYSA-N 0 0 279.166 4.727 10 0 CJAERN C[C@@H]1CCC[C@H](C(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000103930748 185862978 /nfs/dbraw/zinc/86/29/78/185862978.db2.gz RWCUJVCCRZYHCQ-PWSUYJOCSA-N 0 0 285.214 4.931 10 0 CJAERN C[C@@H]1CCC[C@H](c2nc(Cl)c3c(n2)CCCCC3)C1 ZINC000103931988 185863877 /nfs/dbraw/zinc/86/38/77/185863877.db2.gz SYWROZYNJIIPCL-NEPJUHHUSA-N 0 0 278.827 4.693 10 0 CJAERN C[C@H]1CCC[C@@H](C(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000103932231 185863728 /nfs/dbraw/zinc/86/37/28/185863728.db2.gz DCLBWXCOBUWLEC-WDEREUQCSA-N 0 0 285.214 4.931 10 0 CJAERN O=C(c1cccc(Cl)c1)C1(c2ccccc2)CCC1 ZINC000103932244 185864362 /nfs/dbraw/zinc/86/43/62/185864362.db2.gz ZXZRCNWJNWOXIY-UHFFFAOYSA-N 0 0 270.759 4.645 10 0 CJAERN CCc1ccc(-c2nc(Cl)cc(C(C)(C)C)n2)s1 ZINC000103933497 185864291 /nfs/dbraw/zinc/86/42/91/185864291.db2.gz OCPSGPCJJSBTFT-UHFFFAOYSA-N 0 0 280.824 4.718 10 0 CJAERN Cc1ccc([C@]2(O)CCCC[C@@H]2C(C)(C)C)c(C)c1 ZINC000103933538 185863839 /nfs/dbraw/zinc/86/38/39/185863839.db2.gz GCEDKWWTKHLMNV-SJLPKXTDSA-N 0 0 260.421 4.727 10 0 CJAERN Cc1ccc([C@@]2(O)CCCC[C@H]2C(C)(C)C)c(C)c1 ZINC000103933549 185863832 /nfs/dbraw/zinc/86/38/32/185863832.db2.gz GCEDKWWTKHLMNV-WMZOPIPTSA-N 0 0 260.421 4.727 10 0 CJAERN CC(C)(C)[C@H]1CCCC[C@]1(O)c1cccc(Cl)c1 ZINC000103933556 185863998 /nfs/dbraw/zinc/86/39/98/185863998.db2.gz IKBFHTGSUJVYKQ-ZBFHGGJFSA-N 0 0 266.812 4.764 10 0 CJAERN CC(C)(C)[C@@H]1CCCC[C@@]1(O)c1cccc(Cl)c1 ZINC000103933561 185863980 /nfs/dbraw/zinc/86/39/80/185863980.db2.gz IKBFHTGSUJVYKQ-GOEBONIOSA-N 0 0 266.812 4.764 10 0 CJAERN Cc1ccc(F)c([C@]2(O)CCCC[C@H]2C(C)(C)C)c1 ZINC000103933579 185864190 /nfs/dbraw/zinc/86/41/90/185864190.db2.gz MEIOBKMZIFUKIQ-DOTOQJQBSA-N 0 0 264.384 4.558 10 0 CJAERN Cc1ccc(F)c([C@@]2(O)CCCC[C@H]2C(C)(C)C)c1 ZINC000103933582 185863774 /nfs/dbraw/zinc/86/37/74/185863774.db2.gz MEIOBKMZIFUKIQ-RDJZCZTQSA-N 0 0 264.384 4.558 10 0 CJAERN CCC[C@@H]1CCC(=O)[C@H](Cc2cc(C)cc(C)c2)C1 ZINC000103934727 185864273 /nfs/dbraw/zinc/86/42/73/185864273.db2.gz MDUSCWGZPUYGCT-WBVHZDCISA-N 0 0 258.405 4.631 10 0 CJAERN CCC[C@H]1CCC(=O)[C@H](Cc2cc(C)cc(C)c2)C1 ZINC000103934731 185863813 /nfs/dbraw/zinc/86/38/13/185863813.db2.gz MDUSCWGZPUYGCT-RDJZCZTQSA-N 0 0 258.405 4.631 10 0 CJAERN CCC[C@@H]1CCC(=O)[C@@H](Cc2cc(C)cc(C)c2)C1 ZINC000103934735 185864056 /nfs/dbraw/zinc/86/40/56/185864056.db2.gz MDUSCWGZPUYGCT-NVXWUHKLSA-N 0 0 258.405 4.631 10 0 CJAERN O[C@H](c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000103935216 185864995 /nfs/dbraw/zinc/86/49/95/185864995.db2.gz QIPLQJYIPDKIIB-XPSVCEGCSA-N 0 0 276.807 4.590 10 0 CJAERN CCC[C@H]1CCC(=O)[C@@H](Cc2c(F)cccc2Cl)C1 ZINC000103935998 185864817 /nfs/dbraw/zinc/86/48/17/185864817.db2.gz XZRFXLWUQUZCSP-NWDGAFQWSA-N 0 0 282.786 4.807 10 0 CJAERN CCC[C@@H]1CCC(=O)[C@H](Cc2cccc(Cl)c2)C1 ZINC000103936001 185864854 /nfs/dbraw/zinc/86/48/54/185864854.db2.gz JQJGDJLKWDPPHK-OCCSQVGLSA-N 0 0 264.796 4.668 10 0 CJAERN CCC[C@@H]1CCC(=O)[C@@H](Cc2cccc(Cl)c2)C1 ZINC000103936005 185864750 /nfs/dbraw/zinc/86/47/50/185864750.db2.gz JQJGDJLKWDPPHK-TZMCWYRMSA-N 0 0 264.796 4.668 10 0 CJAERN Cc1cc(C)c(CC(=O)c2cccc(Cl)c2)c(C)c1 ZINC000103936307 185865197 /nfs/dbraw/zinc/86/51/97/185865197.db2.gz ZEFCCBLONJXVPP-UHFFFAOYSA-N 0 0 272.775 4.691 10 0 CJAERN CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)c1cccc(Cl)c1 ZINC000103937590 185864804 /nfs/dbraw/zinc/86/48/04/185864804.db2.gz UGXOPONHSQOHLY-DAXOMENPSA-N 0 0 266.812 4.620 10 0 CJAERN Cc1ccc(C)c([C@]2(O)C[C@H](C)CC[C@@H]2C(C)C)c1 ZINC000103937614 185864898 /nfs/dbraw/zinc/86/48/98/185864898.db2.gz CMWRBDOJXPNPHE-KYJSFNMBSA-N 0 0 260.421 4.583 10 0 CJAERN CC(C)c1ccc(CC(=O)c2ccccc2Cl)cc1 ZINC000103937789 185864667 /nfs/dbraw/zinc/86/46/67/185864667.db2.gz NCBDBFAKSIRFLT-UHFFFAOYSA-N 0 0 272.775 4.889 10 0 CJAERN Cc1cc(C)c(CC(=O)c2ccccc2Cl)c(C)c1 ZINC000103937795 185864943 /nfs/dbraw/zinc/86/49/43/185864943.db2.gz UGHMYWZEGYQUAJ-UHFFFAOYSA-N 0 0 272.775 4.691 10 0 CJAERN Fc1cc(Cl)c2nc3c(c(Cl)c2c1)CCCCC3 ZINC000103939237 185865220 /nfs/dbraw/zinc/86/52/20/185865220.db2.gz YXWYINSUNVCDEP-UHFFFAOYSA-N 0 0 284.161 4.950 10 0 CJAERN Cc1ccc(Cc2sc(N)nc2C(C)(C)C)cc1Cl ZINC000103940101 185865210 /nfs/dbraw/zinc/86/52/10/185865210.db2.gz SALJIUZMCDBNFY-UHFFFAOYSA-N 0 0 294.851 4.575 10 0 CJAERN CC(C)c1nc(N)sc1Cc1cccc(C(C)C)c1 ZINC000103940105 185864654 /nfs/dbraw/zinc/86/46/54/185864654.db2.gz DUIBKVKWWZWMPV-UHFFFAOYSA-N 0 0 274.433 4.563 10 0 CJAERN Fc1cc(Cl)cc2c(Cl)c3c(nc12)CCCC3 ZINC000103940411 185865588 /nfs/dbraw/zinc/86/55/88/185865588.db2.gz HZHMHICXJKYEFF-UHFFFAOYSA-N 0 0 270.134 4.560 10 0 CJAERN CCCC1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000103940420 185865375 /nfs/dbraw/zinc/86/53/75/185865375.db2.gz ALISIPZVMQZICV-UHFFFAOYSA-N 0 0 260.421 4.988 10 0 CJAERN CC(C)[C@@H]1CCC(=O)[C@@H](CCCc2ccccc2)C1 ZINC000103941502 185866122 /nfs/dbraw/zinc/86/61/22/185866122.db2.gz WHOQMMHMTNOZNH-SJORKVTESA-N 0 0 258.405 4.651 10 0 CJAERN CC(C)[C@H]1CCC(=O)[C@H](Cc2ccc(Cl)cc2)C1 ZINC000103941511 185866102 /nfs/dbraw/zinc/86/61/02/185866102.db2.gz FOWSVRYVBHHYIS-UONOGXRCSA-N 0 0 264.796 4.524 10 0 CJAERN CC(C)[C@@H]1CCC(=O)[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000103941515 185865594 /nfs/dbraw/zinc/86/55/94/185865594.db2.gz FOWSVRYVBHHYIS-KGLIPLIRSA-N 0 0 264.796 4.524 10 0 CJAERN CCc1ccc(C[C@H](O)c2ccc(C(C)C)cc2)s1 ZINC000103941961 185865958 /nfs/dbraw/zinc/86/59/58/185865958.db2.gz FCJGBDYLGVYOOC-KRWDZBQOSA-N 0 0 274.429 4.710 10 0 CJAERN CCCc1ccc([C@]2(O)C[C@H](C)CC(C)(C)C2)cc1 ZINC000103944403 185866002 /nfs/dbraw/zinc/86/60/02/185866002.db2.gz RSXRQCOTJOTGDF-KDOFPFPSSA-N 0 0 260.421 4.673 10 0 CJAERN CCCc1ccc([C@@]2(O)C[C@H](C)CC(C)(C)C2)cc1 ZINC000103944406 185866099 /nfs/dbraw/zinc/86/60/99/185866099.db2.gz RSXRQCOTJOTGDF-RDTXWAMCSA-N 0 0 260.421 4.673 10 0 CJAERN Cc1cccc(CC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000103944567 185865981 /nfs/dbraw/zinc/86/59/81/185865981.db2.gz SITLLPHMIADABD-UHFFFAOYSA-N 0 0 279.166 4.727 10 0 CJAERN CCc1ccc([C@@H](O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000103944596 185865459 /nfs/dbraw/zinc/86/54/59/185865459.db2.gz JUJZJRJHVHZHNB-INIZCTEOSA-N 0 0 295.209 4.832 10 0 CJAERN C[C@@](O)(c1cc(F)c(Cl)cc1Cl)C1CCCCC1 ZINC000103946065 185866674 /nfs/dbraw/zinc/86/66/74/185866674.db2.gz DOMXBYOIMMXDOM-AWEZNQCLSA-N 0 0 291.193 4.920 10 0 CJAERN Cc1cccc(CC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000103946263 185866851 /nfs/dbraw/zinc/86/68/51/185866851.db2.gz RSJHBJGFNLOJPE-UHFFFAOYSA-N 0 0 293.193 4.656 10 0 CJAERN CC1CCC([C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000103946316 185866575 /nfs/dbraw/zinc/86/65/75/185866575.db2.gz GKQKJFHLZJZTDO-LEHRNKBSSA-N 0 0 254.373 4.700 10 0 CJAERN Fc1c(Cl)ccc2c(Cl)c3c(nc12)CCCCC3 ZINC000103947744 185866317 /nfs/dbraw/zinc/86/63/17/185866317.db2.gz VERKYEVGCBZOBI-UHFFFAOYSA-N 0 0 284.161 4.950 10 0 CJAERN FC(F)(F)Oc1cccc2c(Cl)cc(C3CC3)nc12 ZINC000103947749 185866609 /nfs/dbraw/zinc/86/66/09/185866609.db2.gz JNOZKTXQUBHUHT-UHFFFAOYSA-N 0 0 287.668 4.664 10 0 CJAERN CCc1ccc([C@](C)(O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000103947821 185866656 /nfs/dbraw/zinc/86/66/56/185866656.db2.gz GKDJRGKUKBRWDI-INIZCTEOSA-N 0 0 295.209 4.812 10 0 CJAERN CCCc1nc(N)sc1Cc1c(C)cc(C)cc1Cl ZINC000103949158 185866893 /nfs/dbraw/zinc/86/68/93/185866893.db2.gz KHINARGANWGVEZ-UHFFFAOYSA-N 0 0 294.851 4.539 10 0 CJAERN CCCc1ccc2nc3c(c(Cl)c2c1)CCCC3 ZINC000103949453 185866564 /nfs/dbraw/zinc/86/65/64/185866564.db2.gz YALLBOUIMVFJRH-UHFFFAOYSA-N 0 0 259.780 4.720 10 0 CJAERN Cc1ccc(C)c([C@@](C)(O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103949506 185866628 /nfs/dbraw/zinc/86/66/28/185866628.db2.gz UCNVWOYOEBWCAO-INIZCTEOSA-N 0 0 295.209 4.866 10 0 CJAERN CCOc1cccc(C(=O)c2cccc(Cl)c2Cl)c1 ZINC000103949627 185866694 /nfs/dbraw/zinc/86/66/94/185866694.db2.gz UEPZELTVMBLLSZ-UHFFFAOYSA-N 0 0 295.165 4.623 10 0 CJAERN Cc1cc(C)cc([C@H](O)Cc2ccc(Cl)cc2Cl)c1 ZINC000103951395 185867253 /nfs/dbraw/zinc/86/72/53/185867253.db2.gz VGPFBHINNAFKMK-MRXNPFEDSA-N 0 0 295.209 4.886 10 0 CJAERN Cc1cc(-c2nc(Cl)cc(C(C)(C)C)n2)ccc1F ZINC000103952861 185867347 /nfs/dbraw/zinc/86/73/47/185867347.db2.gz PWZMOBROAOYVGX-UHFFFAOYSA-N 0 0 278.758 4.542 10 0 CJAERN Cc1ccccc1-c1nc(C2CCCCC2)sc1N ZINC000103967550 185869905 /nfs/dbraw/zinc/86/99/05/185869905.db2.gz GHGUXJHXUZUUGV-UHFFFAOYSA-N 0 0 272.417 4.748 10 0 CJAERN CCOc1ccc(Cl)cc1N[C@@H]1CCC[C@@H](C)C1 ZINC000103968024 185869993 /nfs/dbraw/zinc/86/99/93/185869993.db2.gz ZFSSTLHXKWGBBS-DGCLKSJQSA-N 0 0 267.800 4.729 10 0 CJAERN CCOc1ccc(Cl)cc1N[C@H]1CCC[C@@H](C)C1 ZINC000103968027 185870527 /nfs/dbraw/zinc/87/05/27/185870527.db2.gz ZFSSTLHXKWGBBS-YPMHNXCESA-N 0 0 267.800 4.729 10 0 CJAERN Cc1cc(CNc2c(C)cc(C)cc2C)c(C)s1 ZINC000103969623 185871090 /nfs/dbraw/zinc/87/10/90/185871090.db2.gz BSANYECGOVUIRC-UHFFFAOYSA-N 0 0 259.418 4.902 10 0 CJAERN CCCNc1nc2c(s1)C[C@H](C(C)(C)CC)CC2 ZINC000103970739 185871201 /nfs/dbraw/zinc/87/12/01/185871201.db2.gz CZKQHIJKNBYMIO-LLVKDONJSA-N 0 0 266.454 4.506 10 0 CJAERN CCCNc1nc2c(s1)C[C@@H](C(C)(C)CC)CC2 ZINC000103970742 185871243 /nfs/dbraw/zinc/87/12/43/185871243.db2.gz CZKQHIJKNBYMIO-NSHDSACASA-N 0 0 266.454 4.506 10 0 CJAERN Nc1cccc(Cl)c1Oc1ccc2c(c1)CCCC2 ZINC000103971976 185871998 /nfs/dbraw/zinc/87/19/98/185871998.db2.gz QQDDXNVNNXFBDH-UHFFFAOYSA-N 0 0 273.763 4.593 10 0 CJAERN Cc1cc2c(n1[C@H](C)CC(C)C)CC(C)(C)CC2=O ZINC000103972290 185871806 /nfs/dbraw/zinc/87/18/06/185871806.db2.gz BDBYVHUUVIIOOI-GFCCVEGCSA-N 0 0 261.409 4.559 10 0 CJAERN CCOc1ccc(N[C@@H](CC)C(C)C)cc1Cl ZINC000103972806 185872167 /nfs/dbraw/zinc/87/21/67/185872167.db2.gz OAPIFELIDLIVDR-ZDUSSCGKSA-N 0 0 255.789 4.585 10 0 CJAERN CCCOc1ccc(Cl)cc1N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000103974563 185872538 /nfs/dbraw/zinc/87/25/38/185872538.db2.gz AGNCYKDYTRCHKD-OUCADQQQSA-N 0 0 279.811 4.729 10 0 CJAERN CCCOc1ccc(Cl)cc1N[C@H](C)C1(C)CC1 ZINC000103974590 185872491 /nfs/dbraw/zinc/87/24/91/185872491.db2.gz USYKVJYRVBEDIU-LLVKDONJSA-N 0 0 267.800 4.729 10 0 CJAERN Cc1ccc(NC[C@H]2CC=CCC2)cc1C(F)(F)F ZINC000103974817 185873048 /nfs/dbraw/zinc/87/30/48/185873048.db2.gz FNTQUMKHCIQEMU-LBPRGKRZSA-N 0 0 269.310 4.782 10 0 CJAERN CCCc1ccc(Oc2ncccc2Br)cc1 ZINC000103975106 185873662 /nfs/dbraw/zinc/87/36/62/185873662.db2.gz KSAWMKXEPCOGFG-UHFFFAOYSA-N 0 0 292.176 4.589 10 0 CJAERN CCCC[C@@H](CC)C[C@@H]1CCc2ccccc2[C@@H]1O ZINC000103975303 185873687 /nfs/dbraw/zinc/87/36/87/185873687.db2.gz RZAIKRKKDOFQSS-UWWQBHOKSA-N 0 0 260.421 4.889 10 0 CJAERN CCCC[C@H](CC)C[C@@H]1CCc2ccccc2[C@@H]1O ZINC000103975304 185872879 /nfs/dbraw/zinc/87/28/79/185872879.db2.gz RZAIKRKKDOFQSS-QILLFSRXSA-N 0 0 260.421 4.889 10 0 CJAERN CCCC[C@H](CC)C[C@H]1CCc2ccccc2[C@@H]1O ZINC000103975310 185872776 /nfs/dbraw/zinc/87/27/76/185872776.db2.gz RZAIKRKKDOFQSS-YXJHDRRASA-N 0 0 260.421 4.889 10 0 CJAERN C[C@H](Nc1ccc(Cl)c2cccnc12)C1CCCC1 ZINC000103976377 185873191 /nfs/dbraw/zinc/87/31/91/185873191.db2.gz RULGMPWHXCMMDR-NSHDSACASA-N 0 0 274.795 4.879 10 0 CJAERN CCCOc1ccc(Cl)cc1N[C@@H](C)[C@@H](C)CC ZINC000103976435 185873331 /nfs/dbraw/zinc/87/33/31/185873331.db2.gz MNOOPXYPJXKZQS-RYUDHWBXSA-N 0 0 269.816 4.975 10 0 CJAERN CCCOc1ccc(Cl)cc1N[C@@H](C)[C@H](C)CC ZINC000103976444 185873064 /nfs/dbraw/zinc/87/30/64/185873064.db2.gz MNOOPXYPJXKZQS-NEPJUHHUSA-N 0 0 269.816 4.975 10 0 CJAERN CCCOc1ccc(Cl)cc1N[C@H](C)[C@H](C)CC ZINC000103976449 185873435 /nfs/dbraw/zinc/87/34/35/185873435.db2.gz MNOOPXYPJXKZQS-VXGBXAGGSA-N 0 0 269.816 4.975 10 0 CJAERN Cc1cc(Cl)cc(C)c1OCc1ccc(N)cc1Cl ZINC000103979237 185873853 /nfs/dbraw/zinc/87/38/53/185873853.db2.gz JMCBJDYJCXAAMW-UHFFFAOYSA-N 0 0 296.197 4.771 10 0 CJAERN CCCNc1ccc(Cl)c(CSC(C)(C)C)n1 ZINC000103980082 185874387 /nfs/dbraw/zinc/87/43/87/185874387.db2.gz IGIQYFNUIYFMBJ-UHFFFAOYSA-N 0 0 272.845 4.589 10 0 CJAERN Clc1ccc(NC2CCCCC2)c2ncccc12 ZINC000103980227 185874378 /nfs/dbraw/zinc/87/43/78/185874378.db2.gz STYHVYIVKXPWKA-UHFFFAOYSA-N 0 0 260.768 4.633 10 0 CJAERN CCCOc1ccc(Cl)cc1NCCC(C)C ZINC000103980273 185874343 /nfs/dbraw/zinc/87/43/43/185874343.db2.gz CMGZXXVVTZZHDP-UHFFFAOYSA-N 0 0 255.789 4.587 10 0 CJAERN CCOc1cccc(N[C@H]2C[C@H](C)CC(C)(C)C2)c1 ZINC000103980293 185874306 /nfs/dbraw/zinc/87/43/06/185874306.db2.gz BMQYWJRDHACWOB-ZFWWWQNUSA-N 0 0 261.409 4.712 10 0 CJAERN CCOc1cccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1 ZINC000103980297 185874622 /nfs/dbraw/zinc/87/46/22/185874622.db2.gz BMQYWJRDHACWOB-UKRRQHHQSA-N 0 0 261.409 4.712 10 0 CJAERN CCOc1cccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)c1 ZINC000103980301 185874270 /nfs/dbraw/zinc/87/42/70/185874270.db2.gz BMQYWJRDHACWOB-HIFRSBDPSA-N 0 0 261.409 4.712 10 0 CJAERN COc1ccc(Cl)c(NCc2cc(C)ccc2C)c1 ZINC000103980527 185874413 /nfs/dbraw/zinc/87/44/13/185874413.db2.gz KPMIZZBEUCPLMP-UHFFFAOYSA-N 0 0 275.779 4.578 10 0 CJAERN CC[C@@H]1CC[C@@H](O)[C@H](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000103981070 185874015 /nfs/dbraw/zinc/87/40/15/185874015.db2.gz WKBMNCNOEXSZTQ-IFUGULHKSA-N 0 0 287.230 4.723 10 0 CJAERN C[C@@H]1CCC[C@@H](c2nc3c(s2)C(=O)CC(C)(C)C3)C1 ZINC000103981978 185874513 /nfs/dbraw/zinc/87/45/13/185874513.db2.gz CRNBIBZMGQYKGZ-GHMZBOCLSA-N 0 0 277.433 4.592 10 0 CJAERN CC[C@@H]1CC[C@H](O)[C@H](Cc2c(Cl)cccc2Cl)C1 ZINC000103982783 185874965 /nfs/dbraw/zinc/87/49/65/185874965.db2.gz UVGVQTLUPQGNRZ-ZETOZRRWSA-N 0 0 287.230 4.723 10 0 CJAERN CCCC[C@@H](C)n1c(C)cc2c1CC(C)(C)C[C@@H]2O ZINC000103983101 185875399 /nfs/dbraw/zinc/87/53/99/185875399.db2.gz RGCXWYHXATYSIY-WBMJQRKESA-N 0 0 263.425 4.554 10 0 CJAERN CCCNc1nc(C2CCCCC2)nc2sccc21 ZINC000103983460 185875585 /nfs/dbraw/zinc/87/55/85/185875585.db2.gz QVOATQKEBSSNFH-UHFFFAOYSA-N 0 0 275.421 4.561 10 0 CJAERN C[C@@H]1CCC[C@H](Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000103983712 185875164 /nfs/dbraw/zinc/87/51/64/185875164.db2.gz BGZJCGZWTSHLKY-ZJUUUORDSA-N 0 0 275.289 4.835 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000103983719 185875289 /nfs/dbraw/zinc/87/52/89/185875289.db2.gz BGZJCGZWTSHLKY-NXEZZACHSA-N 0 0 275.289 4.835 10 0 CJAERN C[C@H]1CCC[C@@H](Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000103983720 185875493 /nfs/dbraw/zinc/87/54/93/185875493.db2.gz BGZJCGZWTSHLKY-VHSXEESVSA-N 0 0 275.289 4.835 10 0 CJAERN CCCCC[C@H](C)Nc1cc(OC)ccc1Cl ZINC000103983807 185875597 /nfs/dbraw/zinc/87/55/97/185875597.db2.gz LOLREBBFYYHFTK-NSHDSACASA-N 0 0 255.789 4.729 10 0 CJAERN C[C@H]1C[C@H](Nc2cc(F)c(F)cc2F)CC(C)(C)C1 ZINC000103983937 185874872 /nfs/dbraw/zinc/87/48/72/185874872.db2.gz VHMPCNMMMGOZGK-UWVGGRQHSA-N 0 0 271.326 4.731 10 0 CJAERN C[C@H]1C[C@@H](Nc2cc(F)c(F)cc2F)CC(C)(C)C1 ZINC000103983948 185875528 /nfs/dbraw/zinc/87/55/28/185875528.db2.gz VHMPCNMMMGOZGK-VHSXEESVSA-N 0 0 271.326 4.731 10 0 CJAERN CC(C)CC[C@H](C)Nc1ccc(OC(F)F)c(F)c1 ZINC000103986963 185876132 /nfs/dbraw/zinc/87/61/32/185876132.db2.gz HONQUFQRKSJJCA-JTQLQIEISA-N 0 0 275.314 4.664 10 0 CJAERN CCCC1CCC(Nc2cccc(F)c2F)CC1 ZINC000103987081 185875905 /nfs/dbraw/zinc/87/59/05/185875905.db2.gz SXHQTWSMNDHLLB-UHFFFAOYSA-N 0 0 253.336 4.736 10 0 CJAERN CC(C)CC(CC(C)C)Nc1cccc(F)c1F ZINC000103987085 185876557 /nfs/dbraw/zinc/87/65/57/185876557.db2.gz UNZJHZMXDHSQRG-UHFFFAOYSA-N 0 0 255.352 4.838 10 0 CJAERN CCc1cccc(C)c1N[C@@H](C)CCc1ccco1 ZINC000103988679 185876284 /nfs/dbraw/zinc/87/62/84/185876284.db2.gz HGBLPNJRUIOKSR-AWEZNQCLSA-N 0 0 257.377 4.584 10 0 CJAERN CCCOc1ccc(NC(CC)CC)cc1Cl ZINC000103988783 185876277 /nfs/dbraw/zinc/87/62/77/185876277.db2.gz HDOUPZOEXVQTDD-UHFFFAOYSA-N 0 0 255.789 4.729 10 0 CJAERN CC(C)(C)[C@@H]1CCCC[C@H]1Nc1cccc(F)c1F ZINC000103988877 185876569 /nfs/dbraw/zinc/87/65/69/185876569.db2.gz VNUWDPKCPWXEBP-DGCLKSJQSA-N 0 0 267.363 4.982 10 0 CJAERN Cc1c(F)cccc1NCc1csc2ccccc12 ZINC000103989012 185876506 /nfs/dbraw/zinc/87/65/06/185876506.db2.gz PZOLLXIWFSXJCO-UHFFFAOYSA-N 0 0 271.360 4.961 10 0 CJAERN Cc1cc(C)c(CNc2cccc(F)c2C)cc1C ZINC000103989017 185875986 /nfs/dbraw/zinc/87/59/86/185875986.db2.gz SYBJEEZSZONQIJ-UHFFFAOYSA-N 0 0 257.352 4.671 10 0 CJAERN CCCCC[C@H](C)Nc1ccc2oc(CC)nc2c1 ZINC000103990502 185876821 /nfs/dbraw/zinc/87/68/21/185876821.db2.gz MCVXYMKWMRZTHY-LBPRGKRZSA-N 0 0 260.381 4.771 10 0 CJAERN Cc1c(F)cccc1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000103990723 185877316 /nfs/dbraw/zinc/87/73/16/185877316.db2.gz SIEUKAACTPGGPC-RRFJBIMHSA-N 0 0 261.384 4.905 10 0 CJAERN Cc1c(F)cccc1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000103990729 185876973 /nfs/dbraw/zinc/87/69/73/185876973.db2.gz SIEUKAACTPGGPC-RBSFLKMASA-N 0 0 261.384 4.905 10 0 CJAERN Cc1c(F)cccc1N[C@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000103990734 185877504 /nfs/dbraw/zinc/87/75/04/185877504.db2.gz SIEUKAACTPGGPC-KFWWJZLASA-N 0 0 261.384 4.905 10 0 CJAERN CC(C)(C)[C@@H]1CC[C@@H](O)[C@H](Cc2ccc(Cl)s2)C1 ZINC000103991242 185876678 /nfs/dbraw/zinc/87/66/78/185876678.db2.gz IHQQGRDCCIJRSJ-DMDPSCGWSA-N 0 0 286.868 4.767 10 0 CJAERN Nc1sc(C2CCCC2)nc1-c1cccc(Cl)c1 ZINC000103991686 185877492 /nfs/dbraw/zinc/87/74/92/185877492.db2.gz LFWXZMPEOJGJDT-UHFFFAOYSA-N 0 0 278.808 4.703 10 0 CJAERN Nc1sc(C2CCCC2)nc1-c1c(F)cccc1Cl ZINC000103991694 185877416 /nfs/dbraw/zinc/87/74/16/185877416.db2.gz OAYHOHVZWDJBAE-UHFFFAOYSA-N 0 0 296.798 4.842 10 0 CJAERN CCOc1ccc(Cl)cc1N[C@@H](CC)C(C)C ZINC000103992063 185877167 /nfs/dbraw/zinc/87/71/67/185877167.db2.gz OACIAJIMRNHLMI-LBPRGKRZSA-N 0 0 255.789 4.585 10 0 CJAERN Cc1cc(N[C@@H](c2ccccc2)C(C)C)ccc1F ZINC000103992481 185876751 /nfs/dbraw/zinc/87/67/51/185876751.db2.gz WPZUMHMEJFNFLF-QGZVFWFLSA-N 0 0 257.352 4.943 10 0 CJAERN C[C@@H]1CCC[C@@H](Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000103992531 185876913 /nfs/dbraw/zinc/87/69/13/185876913.db2.gz FUZKCZPEUNJURY-MWLCHTKSSA-N 0 0 275.289 4.835 10 0 CJAERN Cc1cc(C)cc(-c2nc(C3CCCC3)sc2N)c1 ZINC000103993492 185877537 /nfs/dbraw/zinc/87/75/37/185877537.db2.gz FJYXGMJBXPJYOD-UHFFFAOYSA-N 0 0 272.417 4.667 10 0 CJAERN CCNc1cc(C(C)C)nc2c(F)c(Cl)ccc12 ZINC000103993737 185877264 /nfs/dbraw/zinc/87/72/64/185877264.db2.gz WLYYKCWYEZIHIL-UHFFFAOYSA-N 0 0 266.747 4.583 10 0 CJAERN CCOc1ccc(Cl)cc1NCc1ccccc1C ZINC000103993949 185877207 /nfs/dbraw/zinc/87/72/07/185877207.db2.gz PDZFXRFLGKDJJY-UHFFFAOYSA-N 0 0 275.779 4.659 10 0 CJAERN CC[C@H](Nc1cccc(F)c1C)c1ccc(F)cc1 ZINC000103994172 185878345 /nfs/dbraw/zinc/87/83/45/185878345.db2.gz HKLYBWSZIKDCQL-HNNXBMFYSA-N 0 0 261.315 4.836 10 0 CJAERN Cc1cccc(C)c1OCc1ccccc1Br ZINC000103994628 185878665 /nfs/dbraw/zinc/87/86/65/185878665.db2.gz HTCMDMRIEWZAKB-UHFFFAOYSA-N 0 0 291.188 4.645 10 0 CJAERN CCC(C)(C)[C@H]1CCc2nc(NCC(C)C)sc2C1 ZINC000103995107 185877903 /nfs/dbraw/zinc/87/79/03/185877903.db2.gz JIGLIDMDIMAALP-LBPRGKRZSA-N 0 0 280.481 4.752 10 0 CJAERN Clc1ccc(NCCSc2ccccc2)cc1 ZINC000103995383 185878586 /nfs/dbraw/zinc/87/85/86/185878586.db2.gz BKGGMCUMAYGTCM-UHFFFAOYSA-N 0 0 263.793 4.544 10 0 CJAERN O=C(c1ccc(Cl)cc1Cl)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000103996071 185878402 /nfs/dbraw/zinc/87/84/02/185878402.db2.gz NWYKYVIMZPLURZ-SBMIAAHKSA-N 0 0 269.171 4.612 10 0 CJAERN CCCCOCCNc1c(Cl)cc(Cl)cc1Cl ZINC000103997521 185878472 /nfs/dbraw/zinc/87/84/72/185878472.db2.gz HRUPVXPOSVYUSL-UHFFFAOYSA-N 0 0 296.625 4.875 10 0 CJAERN Cc1ccc2nc(-c3cccc(Cl)c3)nc(Cl)c2c1 ZINC000103999206 185879223 /nfs/dbraw/zinc/87/92/23/185879223.db2.gz DZVBBRFDGNXYQH-UHFFFAOYSA-N 0 0 289.165 4.912 10 0 CJAERN Cc1ccc(NCCOc2cc(Cl)cc(Cl)c2)cc1 ZINC000103999945 185879350 /nfs/dbraw/zinc/87/93/50/185879350.db2.gz QYYWPGWWZUWLCF-UHFFFAOYSA-N 0 0 296.197 4.793 10 0 CJAERN Cc1ccc(NCCSc2ccccc2C)cc1 ZINC000104001420 185879106 /nfs/dbraw/zinc/87/91/06/185879106.db2.gz KGUALYSIONKGFM-UHFFFAOYSA-N 0 0 257.402 4.508 10 0 CJAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCc1ccnc(Cl)c1 ZINC000104002993 185880419 /nfs/dbraw/zinc/88/04/19/185880419.db2.gz IJITYDVZYOSROO-BPLDGKMQSA-N 0 0 281.827 4.712 10 0 CJAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCc1ccnc(Cl)c1 ZINC000104003002 185880398 /nfs/dbraw/zinc/88/03/98/185880398.db2.gz IJITYDVZYOSROO-VHDGCEQUSA-N 0 0 281.827 4.712 10 0 CJAERN CCCc1ccccc1NC/C=C/c1ccccc1 ZINC000104003258 185879861 /nfs/dbraw/zinc/87/98/61/185879861.db2.gz WTEQBWCTVKSTBW-XYOKQWHBSA-N 0 0 251.373 4.764 10 0 CJAERN CCNc1cc(C(F)(F)F)nc2c(C)ccc(Cl)c12 ZINC000104004225 185880000 /nfs/dbraw/zinc/88/00/00/185880000.db2.gz IUBKFKIIMVPXLP-UHFFFAOYSA-N 0 0 288.700 4.647 10 0 CJAERN CCCNc1cc(C(C)C)nc2c(F)cc(Cl)cc12 ZINC000104004266 185880030 /nfs/dbraw/zinc/88/00/30/185880030.db2.gz YNHXOIBPHTXSIH-UHFFFAOYSA-N 0 0 280.774 4.973 10 0 CJAERN CNc1c2cc(Cl)cc(F)c2nc(C)c1C(C)C ZINC000104004270 185879879 /nfs/dbraw/zinc/87/98/79/185879879.db2.gz ULUJETPHYZJJMZ-UHFFFAOYSA-N 0 0 266.747 4.501 10 0 CJAERN Cc1ccc(NCCSc2cccc(Cl)c2)cc1 ZINC000104006771 185881039 /nfs/dbraw/zinc/88/10/39/185881039.db2.gz UHQYJFRFRKJKOK-UHFFFAOYSA-N 0 0 277.820 4.853 10 0 CJAERN Cc1ccc(NCCOc2c(Cl)cccc2Cl)cc1 ZINC000104009600 185881776 /nfs/dbraw/zinc/88/17/76/185881776.db2.gz BEYUHQSMGDGMQB-UHFFFAOYSA-N 0 0 296.197 4.793 10 0 CJAERN Cc1cc(OCc2cccnc2Cl)ccc1C(C)C ZINC000104009936 185881262 /nfs/dbraw/zinc/88/12/62/185881262.db2.gz FTDOTXREFMRFPY-UHFFFAOYSA-N 0 0 275.779 4.746 10 0 CJAERN CCc1oc2ccccc2c1C(=O)CC1CCCC1 ZINC000104012109 185882467 /nfs/dbraw/zinc/88/24/67/185882467.db2.gz UQVOZLQVCMYLCY-UHFFFAOYSA-N 0 0 256.345 4.758 10 0 CJAERN Cc1ccccc1NCCSc1ccccc1Cl ZINC000104013146 185882247 /nfs/dbraw/zinc/88/22/47/185882247.db2.gz NZXYARJEYZGGRT-UHFFFAOYSA-N 0 0 277.820 4.853 10 0 CJAERN Cc1ccccc1CC(=O)c1ccc(Cl)cc1Cl ZINC000104014006 185882593 /nfs/dbraw/zinc/88/25/93/185882593.db2.gz GITDASVPXMOFNN-UHFFFAOYSA-N 0 0 279.166 4.727 10 0 CJAERN CCc1oc2ccccc2c1C(=O)c1ccc(Cl)s1 ZINC000104014023 185882681 /nfs/dbraw/zinc/88/26/81/185882681.db2.gz VCOLMRARSNDEEM-UHFFFAOYSA-N 0 0 290.771 4.941 10 0 CJAERN Cc1ccc(C)c(OCc2nc(Cl)ccc2Cl)c1C ZINC000104015266 185882763 /nfs/dbraw/zinc/88/27/63/185882763.db2.gz UESXHOABFUOBOD-UHFFFAOYSA-N 0 0 296.197 4.893 10 0 CJAERN Cc1ccc(-c2nc(Cl)c3ccccc3n2)cc1Cl ZINC000104017706 185883266 /nfs/dbraw/zinc/88/32/66/185883266.db2.gz IYMURRMLIZDGBX-UHFFFAOYSA-N 0 0 289.165 4.912 10 0 CJAERN CCCNc1cc(CCC)nc2c(Cl)cc(F)cc12 ZINC000104019094 185883845 /nfs/dbraw/zinc/88/38/45/185883845.db2.gz LUPMCUXEANZYHM-UHFFFAOYSA-N 0 0 280.774 4.802 10 0 CJAERN CCc1ccccc1CNc1ccccc1C(C)C ZINC000104021394 185883420 /nfs/dbraw/zinc/88/34/20/185883420.db2.gz VBBSQASEKXKNKX-UHFFFAOYSA-N 0 0 253.389 4.985 10 0 CJAERN CCc1ccc([C@H](C)Nc2ccc(C)c(F)c2)s1 ZINC000104021473 185883626 /nfs/dbraw/zinc/88/36/26/185883626.db2.gz LWWAZFWOTAGJSG-NSHDSACASA-N 0 0 263.381 4.931 10 0 CJAERN Cc1ccc(F)c(NCC[C@@H](C)c2ccccc2)c1 ZINC000104021569 185884359 /nfs/dbraw/zinc/88/43/59/185884359.db2.gz QFBCXZOTUAFLJG-CQSZACIVSA-N 0 0 257.352 4.740 10 0 CJAERN Cc1ccc(F)c(NCC[C@H](C)c2ccccc2)c1 ZINC000104021572 185884078 /nfs/dbraw/zinc/88/40/78/185884078.db2.gz QFBCXZOTUAFLJG-AWEZNQCLSA-N 0 0 257.352 4.740 10 0 CJAERN Cc1cc(-c2c(C)c(C)c(C)c(C)c2C)ccc1N ZINC000104023984 185884578 /nfs/dbraw/zinc/88/45/78/185884578.db2.gz IAELKXHVKWGLCS-UHFFFAOYSA-N 0 0 253.389 4.786 10 0 CJAERN Oc1ccccc1SCc1c(Cl)cccc1Cl ZINC000104024033 185884189 /nfs/dbraw/zinc/88/41/89/185884189.db2.gz ZLWZQKWZRSXJRR-UHFFFAOYSA-N 0 0 285.195 4.991 10 0 CJAERN CCCCC1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000104024051 185884287 /nfs/dbraw/zinc/88/42/87/185884287.db2.gz GNEHQBMZTSKMSC-KVULBXGLSA-N 0 0 264.384 4.856 10 0 CJAERN Cc1ccsc1[C@H](O)C1CCC(C(C)(C)C)CC1 ZINC000104024179 185884401 /nfs/dbraw/zinc/88/44/01/185884401.db2.gz QRVIWFCOXAJACS-JXQTWKCFSA-N 0 0 266.450 4.942 10 0 CJAERN CC(C)C1CCC(Nc2cccc(Cl)c2)CC1 ZINC000104025736 185884763 /nfs/dbraw/zinc/88/47/63/185884763.db2.gz PZIAJBANKITIKK-UHFFFAOYSA-N 0 0 251.801 4.967 10 0 CJAERN CC(C)(C)C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000104026003 185884513 /nfs/dbraw/zinc/88/45/13/185884513.db2.gz OMGNJEYTYSUALM-KRWDZBQOSA-N 0 0 254.373 4.823 10 0 CJAERN O[C@H](CCC1CCCC1)c1cc(Cl)ccc1Cl ZINC000104026032 185884443 /nfs/dbraw/zinc/88/44/43/185884443.db2.gz CHYZIXMREUYICS-CQSZACIVSA-N 0 0 273.203 4.997 10 0 CJAERN Cc1ccc(C)c(NCC[C@H](C)c2ccccc2)c1 ZINC000104030897 185884403 /nfs/dbraw/zinc/88/44/03/185884403.db2.gz NDQLFXFPEJNUTA-HNNXBMFYSA-N 0 0 253.389 4.909 10 0 CJAERN CC(C)(C)CCNc1ccc(SC(F)F)cc1 ZINC000104031055 185884285 /nfs/dbraw/zinc/88/42/85/185884285.db2.gz DREUMXVUFNDHHS-UHFFFAOYSA-N 0 0 259.365 4.849 10 0 CJAERN CSc1nc2ccc(NCCC(C)(C)C)cc2s1 ZINC000104037449 185885186 /nfs/dbraw/zinc/88/51/86/185885186.db2.gz XLJHUGRDHLWNAJ-UHFFFAOYSA-N 0 0 280.462 4.866 10 0 CJAERN CCCC[C@@H](CC)[C@H](O)c1ccc(OC)cc1Cl ZINC000104037454 185884999 /nfs/dbraw/zinc/88/49/99/185884999.db2.gz NHYOTDLUQGKCND-ABAIWWIYSA-N 0 0 270.800 4.598 10 0 CJAERN CCCC[C@@H](CC)[C@@H](O)c1ccc(OC)cc1Cl ZINC000104037460 185885340 /nfs/dbraw/zinc/88/53/40/185885340.db2.gz NHYOTDLUQGKCND-IAQYHMDHSA-N 0 0 270.800 4.598 10 0 CJAERN CCc1ccc([C@@H](C)Nc2ccc(C)cc2F)s1 ZINC000104038995 185885450 /nfs/dbraw/zinc/88/54/50/185885450.db2.gz YMWLJMVVOKEENB-LLVKDONJSA-N 0 0 263.381 4.931 10 0 CJAERN CCc1ccccc1CNc1ccc(C(C)C)cc1 ZINC000104042276 185885569 /nfs/dbraw/zinc/88/55/69/185885569.db2.gz GLMUUYHIRAGJLT-UHFFFAOYSA-N 0 0 253.389 4.985 10 0 CJAERN Fc1ccc(NCc2ccc(Cl)c(F)c2)c(Cl)c1 ZINC000104042418 185885402 /nfs/dbraw/zinc/88/54/02/185885402.db2.gz RGSHDSLQBXOALK-UHFFFAOYSA-N 0 0 288.124 4.884 10 0 CJAERN Cc1nc(-c2ccc(NCCC(C)(C)C)cc2)cs1 ZINC000104044068 185885183 /nfs/dbraw/zinc/88/51/83/185885183.db2.gz ZPNNWVHZABDRPX-UHFFFAOYSA-N 0 0 274.433 4.967 10 0 CJAERN CCc1ccccc1CNc1ccc(F)cc1Cl ZINC000104044131 185884930 /nfs/dbraw/zinc/88/49/30/185884930.db2.gz SHQFHQLKDGRWDY-UHFFFAOYSA-N 0 0 263.743 4.654 10 0 CJAERN FC(F)(F)c1cccc(Cl)c1N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000104045993 185886403 /nfs/dbraw/zinc/88/64/03/185886403.db2.gz WQBAYMJETPGIPL-YGOYTEALSA-N 0 0 289.728 4.959 10 0 CJAERN Cc1cc([C@H](O)C23CC4CC(CC(C4)C2)C3)c(C)s1 ZINC000104046222 185886474 /nfs/dbraw/zinc/88/64/74/185886474.db2.gz ZSMYHJBKNSMPSO-AIWVUANBSA-N 0 0 276.445 4.615 10 0 CJAERN O[C@H](c1ccc2c(c1)CCCC2)C1CCCCCC1 ZINC000104049911 185886605 /nfs/dbraw/zinc/88/66/05/185886605.db2.gz BFVMDVGOSABIKY-SFHVURJKSA-N 0 0 258.405 4.569 10 0 CJAERN CCc1ccc([C@H](O)C[C@@H](C)CC(C)(C)C)s1 ZINC000104049921 185886230 /nfs/dbraw/zinc/88/62/30/185886230.db2.gz DOMCLHURJGHVJB-DGCLKSJQSA-N 0 0 254.439 4.806 10 0 CJAERN Cc1cc(C)c(C)c([C@@H](O)c2ccccc2Cl)c1C ZINC000104049943 185886426 /nfs/dbraw/zinc/88/64/26/185886426.db2.gz RJOBCRKDWXVDOI-KRWDZBQOSA-N 0 0 274.791 4.655 10 0 CJAERN Clc1cc(C2CC2)nc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000104057868 185887655 /nfs/dbraw/zinc/88/76/55/185887655.db2.gz FEAJNVFEVDFGFP-UHFFFAOYSA-N 0 0 299.588 4.981 10 0 CJAERN CCCOc1cc(SC2CCCCC2)c(N)cc1F ZINC000104126610 185899793 /nfs/dbraw/zinc/89/97/93/185899793.db2.gz ZSBKFFBYRZYFGQ-UHFFFAOYSA-N 0 0 283.412 4.622 10 0 CJAERN COc1ccc(-c2nc(Cl)c(C(C)C)c(Cl)n2)cc1 ZINC000104135181 185905338 /nfs/dbraw/zinc/90/53/38/185905338.db2.gz SRYKDAJYCINSSZ-UHFFFAOYSA-N 0 0 297.185 4.582 10 0 CJAERN Cc1c(Cl)nc([C@H]2CCCc3ccccc32)nc1Cl ZINC000104140480 185907888 /nfs/dbraw/zinc/90/78/88/185907888.db2.gz SNCHTSLRGMJEBW-LBPRGKRZSA-N 0 0 293.197 4.560 10 0 CJAERN Cc1ccc(OCc2ccc(Br)s2)c(C)c1 ZINC000104147915 185911974 /nfs/dbraw/zinc/91/19/74/185911974.db2.gz ZUAQJVSRDUWPKF-UHFFFAOYSA-N 0 0 297.217 4.706 10 0 CJAERN Cc1ccc2sc(Nc3cccc(F)c3F)nc2c1 ZINC000104155935 185913886 /nfs/dbraw/zinc/91/38/86/185913886.db2.gz AVDJSYCWWDYKDW-UHFFFAOYSA-N 0 0 276.311 4.627 10 0 CJAERN CC(C)CCC[C@H](C)n1c2ccc(F)cc2[nH]c1=S ZINC000104156599 185913556 /nfs/dbraw/zinc/91/35/56/185913556.db2.gz GGCKAOJVQOKOSW-NSHDSACASA-N 0 0 280.412 4.851 10 0 CJAERN CCCNc1nc(-c2ccc(Cl)s2)nc(CC)c1C ZINC000104157564 185913401 /nfs/dbraw/zinc/91/34/01/185913401.db2.gz IEJUMNDZKMGSPR-UHFFFAOYSA-N 0 0 295.839 4.551 10 0 CJAERN CC[C@@H]1CCCC[C@H]1Nc1nc2cc(C)ccc2s1 ZINC000104158006 185913681 /nfs/dbraw/zinc/91/36/81/185913681.db2.gz YLHAEWWNHDYDDF-CHWSQXEVSA-N 0 0 274.433 4.985 10 0 CJAERN C[C@H]1CCCC[C@H]1Cn1c(=S)[nH]c2cccc(Cl)c21 ZINC000104158746 185914007 /nfs/dbraw/zinc/91/40/07/185914007.db2.gz QBTOLBIDOZHKLH-QWRGUYRKSA-N 0 0 294.851 4.805 10 0 CJAERN Fc1cc2nc(-c3ccc(Cl)cc3Cl)[nH]c2cc1F ZINC000104158885 185913195 /nfs/dbraw/zinc/91/31/95/185913195.db2.gz QKQSWNWXVUVXIK-UHFFFAOYSA-N 0 0 299.107 4.815 10 0 CJAERN CCCCCC[C@H](C)N1C(=S)N=NC1c1cccs1 ZINC000104159540 185913495 /nfs/dbraw/zinc/91/34/95/185913495.db2.gz UBUZFVUTSYZIMO-NSHDSACASA-N 0 0 295.477 4.827 10 0 CJAERN CCC[C@@H](CC)n1c(=S)[nH]c2cccc(Cl)c21 ZINC000104160341 185914338 /nfs/dbraw/zinc/91/43/38/185914338.db2.gz CVGVSFZMVJOGON-SECBINFHSA-N 0 0 268.813 4.730 10 0 CJAERN CCCC1CCC(Nc2nnc(Cl)c(C)c2C)CC1 ZINC000104160428 185914953 /nfs/dbraw/zinc/91/49/53/185914953.db2.gz RRCCEPAIVCDFDA-UHFFFAOYSA-N 0 0 281.831 4.518 10 0 CJAERN CCCC[C@H](C)n1c(=S)[nH]c2cccc(Cl)c21 ZINC000104161098 185914693 /nfs/dbraw/zinc/91/46/93/185914693.db2.gz JAUFNFQHNZARIV-VIFPVBQESA-N 0 0 268.813 4.730 10 0 CJAERN C[C@@H]1CCCC[C@H]1CNc1nc2cc(F)ccc2s1 ZINC000104161881 185914940 /nfs/dbraw/zinc/91/49/40/185914940.db2.gz RCGXVCHQNXOJGV-MNOVXSKESA-N 0 0 278.396 4.674 10 0 CJAERN CC(C)CCCNc1nc2cc(Cl)ccc2s1 ZINC000104166688 185915481 /nfs/dbraw/zinc/91/54/81/185915481.db2.gz HJUBEGXZYOQFBE-UHFFFAOYSA-N 0 0 268.813 4.798 10 0 CJAERN CC1CCC(CNc2nc3cc(F)ccc3s2)CC1 ZINC000104166693 185915442 /nfs/dbraw/zinc/91/54/42/185915442.db2.gz IGNFVDQGTYGJHT-UHFFFAOYSA-N 0 0 278.396 4.674 10 0 CJAERN C[C@H]1CCC[C@@H]1Nc1nc2cccc(Cl)c2s1 ZINC000104166699 185915192 /nfs/dbraw/zinc/91/51/92/185915192.db2.gz LOWXVEZIYSTDAP-WPRPVWTQSA-N 0 0 266.797 4.550 10 0 CJAERN CC[C@@H]1CCCC[C@H]1n1c2cc(F)ccc2[nH]c1=S ZINC000104167627 185915826 /nfs/dbraw/zinc/91/58/26/185915826.db2.gz NFCXLJMODVCJKU-ZWNOBZJWSA-N 0 0 278.396 4.605 10 0 CJAERN CC[C@H]1CCCC[C@H]1n1c2cc(F)ccc2[nH]c1=S ZINC000104167632 185915594 /nfs/dbraw/zinc/91/55/94/185915594.db2.gz NFCXLJMODVCJKU-GXFFZTMASA-N 0 0 278.396 4.605 10 0 CJAERN Cc1ccccc1CNc1nc2cccc(Cl)c2s1 ZINC000104167638 185915002 /nfs/dbraw/zinc/91/50/02/185915002.db2.gz MWHGNBPGNFJBHP-UHFFFAOYSA-N 0 0 288.803 4.870 10 0 CJAERN Cc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1Cl ZINC000104172094 185916070 /nfs/dbraw/zinc/91/60/70/185916070.db2.gz BYJSVNLXSKRSOM-UHFFFAOYSA-N 0 0 279.166 4.727 10 0 CJAERN CCCNc1nc2c(Cl)cc(Cl)cc2cc1C ZINC000104174436 185917197 /nfs/dbraw/zinc/91/71/97/185917197.db2.gz UZKOGMFBQINDJJ-UHFFFAOYSA-N 0 0 269.175 4.672 10 0 CJAERN Cc1ccc(CC(=O)c2cc3ccccc3s2)cc1 ZINC000104174522 185916872 /nfs/dbraw/zinc/91/68/72/185916872.db2.gz IPSXRYZNJSECHF-UHFFFAOYSA-N 0 0 266.365 4.635 10 0 CJAERN CCCNc1nc2cc(Cl)cc(Cl)c2cc1CC ZINC000104175599 185917010 /nfs/dbraw/zinc/91/70/10/185917010.db2.gz QHQZHGINCBFPHZ-UHFFFAOYSA-N 0 0 283.202 4.926 10 0 CJAERN Cc1ccc(N)cc1Sc1ccc(C(C)C)cc1 ZINC000104175860 185916954 /nfs/dbraw/zinc/91/69/54/185916954.db2.gz GJDHQTYOJXSFSP-UHFFFAOYSA-N 0 0 257.402 4.852 10 0 CJAERN CCCC[C@@H](CC)COc1ccc(C(=O)CC)cc1 ZINC000104176851 185917050 /nfs/dbraw/zinc/91/70/50/185917050.db2.gz ZEEHMXPFWSXKAV-CQSZACIVSA-N 0 0 262.393 4.875 10 0 CJAERN CCNc1nc2c(Cl)cc(C)cc2cc1C(C)C ZINC000104176988 185917357 /nfs/dbraw/zinc/91/73/57/185917357.db2.gz BSXGDSKATMWEFV-UHFFFAOYSA-N 0 0 262.784 4.752 10 0 CJAERN Cc1cc(Oc2ccc(C=O)cc2C)ccc1Cl ZINC000104177363 185917174 /nfs/dbraw/zinc/91/71/74/185917174.db2.gz GWEZXDWAHPKERE-UHFFFAOYSA-N 0 0 260.720 4.562 10 0 CJAERN CCCCC[C@H](C)Nc1c(F)c(F)c(F)c(F)c1F ZINC000104177477 185916808 /nfs/dbraw/zinc/91/68/08/185916808.db2.gz PXFWYFONSRWKAX-ZETCQYMHSA-N 0 0 281.268 4.763 10 0 CJAERN CCCCC[C@@H](C)Nc1ncnc2sc(C)c(C)c21 ZINC000104177487 185917315 /nfs/dbraw/zinc/91/73/15/185917315.db2.gz JVSNMOIACVCXFC-SNVBAGLBSA-N 0 0 277.437 4.689 10 0 CJAERN CNc1nc2c(Cl)ccc(Cl)c2cc1C(C)C ZINC000104178233 185916784 /nfs/dbraw/zinc/91/67/84/185916784.db2.gz NDGGJCQBSHCTBU-UHFFFAOYSA-N 0 0 269.175 4.707 10 0 CJAERN CCCC[C@H](C)Nc1ncc(C(F)(F)F)cc1Cl ZINC000104181944 185918403 /nfs/dbraw/zinc/91/84/03/185918403.db2.gz BLBBHRKBINKRNM-QMMMGPOBSA-N 0 0 280.721 4.744 10 0 CJAERN C[C@H](Nc1nccc2sccc21)C1CCCCC1 ZINC000104181952 185918487 /nfs/dbraw/zinc/91/84/87/185918487.db2.gz LPMZSSHBDIRJLV-NSHDSACASA-N 0 0 260.406 4.677 10 0 CJAERN C[C@@H](Nc1nccc2sccc21)C1CCCCC1 ZINC000104181954 185917709 /nfs/dbraw/zinc/91/77/09/185917709.db2.gz LPMZSSHBDIRJLV-LLVKDONJSA-N 0 0 260.406 4.677 10 0 CJAERN C[C@H](Nc1nc2ccccc2s1)C1CCCCC1 ZINC000104181956 185917797 /nfs/dbraw/zinc/91/77/97/185917797.db2.gz GGIRDDFIJZBSEU-NSHDSACASA-N 0 0 260.406 4.677 10 0 CJAERN C[C@H]1CCC[C@@H](Sc2ccc(N)c(C(F)(F)F)c2)C1 ZINC000104182628 185918378 /nfs/dbraw/zinc/91/83/78/185918378.db2.gz QBUMEJUYXSBDBA-VHSXEESVSA-N 0 0 289.366 4.958 10 0 CJAERN Cc1cc(Oc2ccc(C=O)cc2C)cc(C)c1Cl ZINC000104182786 185918260 /nfs/dbraw/zinc/91/82/60/185918260.db2.gz QMSNBACHMITHAP-UHFFFAOYSA-N 0 0 274.747 4.870 10 0 CJAERN CCC[C@H](C)COc1c(Cl)cc(Cl)cc1C=O ZINC000104183388 185917935 /nfs/dbraw/zinc/91/79/35/185917935.db2.gz PAYAYEFQNUNTMF-VIFPVBQESA-N 0 0 275.175 4.621 10 0 CJAERN CCCNc1nc2c(Cl)cccc2cc1C(C)C ZINC000104183403 185917748 /nfs/dbraw/zinc/91/77/48/185917748.db2.gz AQDVUMHBZZXFKI-UHFFFAOYSA-N 0 0 262.784 4.834 10 0 CJAERN CCCc1cc2ccc(Cl)c(Cl)c2nc1NC ZINC000104183420 185918480 /nfs/dbraw/zinc/91/84/80/185918480.db2.gz RHIJVEONXOQDEV-UHFFFAOYSA-N 0 0 269.175 4.536 10 0 CJAERN Cc1cc(C=O)ccc1Oc1ccc(Cl)c(Cl)c1 ZINC000104183738 185918429 /nfs/dbraw/zinc/91/84/29/185918429.db2.gz XUMJTSHVZJPEHQ-UHFFFAOYSA-N 0 0 281.138 4.907 10 0 CJAERN CCCC1CCN(c2ccc(C(C)=O)cc2Cl)CC1 ZINC000104184574 136526031 /nfs/dbraw/zinc/52/60/31/136526031.db2.gz OVNNFOPGCCRTRA-UHFFFAOYSA-N 0 0 279.811 4.559 10 0 CJAERN CCC1CCC(N(C)c2cccc(Cl)c2C=O)CC1 ZINC000104185665 185918944 /nfs/dbraw/zinc/91/89/44/185918944.db2.gz LKPRXKCCCBDYQA-UHFFFAOYSA-N 0 0 279.811 4.558 10 0 CJAERN CC(C)(C)CC(C)(C)Nc1ccc(C(N)=S)cc1Cl ZINC000104185944 185918967 /nfs/dbraw/zinc/91/89/67/185918967.db2.gz TXZAPHJMOOQWPA-UHFFFAOYSA-N 0 0 298.883 4.601 10 0 CJAERN CCC[C@@H](C)c1[nH]nc(N)c1-c1ccc(Cl)c(Cl)c1 ZINC000104186362 185919535 /nfs/dbraw/zinc/91/95/35/185919535.db2.gz OBYYYLOHLVFVAD-MRVPVSSYSA-N 0 0 298.217 4.869 10 0 CJAERN CCc1c(Cl)ncnc1Nc1ccccc1C(C)C ZINC000104205652 185930840 /nfs/dbraw/zinc/93/08/40/185930840.db2.gz JXNSVLFIKWTUFF-UHFFFAOYSA-N 0 0 275.783 4.559 10 0 CJAERN Cc1cccc2c(Cl)c(C)c(C(F)(F)F)nc12 ZINC000104207399 185931140 /nfs/dbraw/zinc/93/11/40/185931140.db2.gz GBJJGXLTYJFNDS-UHFFFAOYSA-N 0 0 259.658 4.524 10 0 CJAERN CSc1cccc(Nc2ncnc(Cl)c2C(C)C)c1 ZINC000104210475 185931644 /nfs/dbraw/zinc/93/16/44/185931644.db2.gz LAAVLCFJGTXUMO-UHFFFAOYSA-N 0 0 293.823 4.719 10 0 CJAERN CCCc1c(Cl)ncnc1Nc1ccc(C)c(Cl)c1 ZINC000104212268 185932444 /nfs/dbraw/zinc/93/24/44/185932444.db2.gz YINKEYAGWOCQMN-UHFFFAOYSA-N 0 0 296.201 4.788 10 0 CJAERN CCCc1c(Cl)ncnc1SCc1cccc(C)c1 ZINC000104212551 185932611 /nfs/dbraw/zinc/93/26/11/185932611.db2.gz PSUGWWCKFHEZTO-UHFFFAOYSA-N 0 0 292.835 4.683 10 0 CJAERN Nc1ccc(OCc2csc3ccccc23)cc1Cl ZINC000104218849 185934448 /nfs/dbraw/zinc/93/44/48/185934448.db2.gz XZYRLGUGLCTSKE-UHFFFAOYSA-N 0 0 289.787 4.716 10 0 CJAERN CCc1ccc(Oc2ccc(N)cc2C(F)F)cc1 ZINC000104219715 185934319 /nfs/dbraw/zinc/93/43/19/185934319.db2.gz VEJJEKXZHWTOKH-UHFFFAOYSA-N 0 0 263.287 4.561 10 0 CJAERN CCCc1c(Cl)ncnc1Nc1cccc(Cl)c1C ZINC000104219811 185934326 /nfs/dbraw/zinc/93/43/26/185934326.db2.gz DZYYJDJYINWUIU-UHFFFAOYSA-N 0 0 296.201 4.788 10 0 CJAERN CC(C)c1c(Cl)ncnc1Oc1ccc(Cl)cc1 ZINC000104222744 185935598 /nfs/dbraw/zinc/93/55/98/185935598.db2.gz KTPNRVHMLUPMKP-UHFFFAOYSA-N 0 0 283.158 4.699 10 0 CJAERN CC(C)CCC[C@H](C)Nc1ncnc(Cl)c1C(C)C ZINC000104224872 185936218 /nfs/dbraw/zinc/93/62/18/185936218.db2.gz YIHXSVLGVXTXEX-LBPRGKRZSA-N 0 0 283.847 4.880 10 0 CJAERN CC(C)c1c(Cl)ncnc1Nc1ccccc1Cl ZINC000104227834 185936430 /nfs/dbraw/zinc/93/64/30/185936430.db2.gz MRZBETICINTLIG-UHFFFAOYSA-N 0 0 282.174 4.650 10 0 CJAERN CC[C@H]1CCCC[C@@H]1Nc1ccc(N)cc1C(F)F ZINC000104229260 185937098 /nfs/dbraw/zinc/93/70/98/185937098.db2.gz KCFSPRARMJVGAJ-GWCFXTLKSA-N 0 0 268.351 4.587 10 0 CJAERN CC[C@@H]1CCCC[C@H]1Nc1ccc(N)cc1C(F)F ZINC000104229265 185936555 /nfs/dbraw/zinc/93/65/55/185936555.db2.gz KCFSPRARMJVGAJ-ZWNOBZJWSA-N 0 0 268.351 4.587 10 0 CJAERN FC(F)(F)c1ccccc1NC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000104240634 185941140 /nfs/dbraw/zinc/94/11/40/185941140.db2.gz MAYMIZQWJNLPTO-QJPTWQEYSA-N 0 0 269.310 4.554 10 0 CJAERN Clc1cccc2nc(NC[C@H]3C[C@H]4CC[C@@H]3C4)sc21 ZINC000104248557 185942772 /nfs/dbraw/zinc/94/27/72/185942772.db2.gz YPJXODKVWKJSON-HBNTYKKESA-N 0 0 292.835 4.798 10 0 CJAERN O=C1c2ccccc2CCC[C@H]1CCc1cccs1 ZINC000104275523 185951185 /nfs/dbraw/zinc/95/11/85/185951185.db2.gz AGEFZGBYRBPQIG-AWEZNQCLSA-N 0 0 270.397 4.516 10 0 CJAERN O[C@H](CCc1cccs1)c1cccc2ccccc21 ZINC000104279644 185953381 /nfs/dbraw/zinc/95/33/81/185953381.db2.gz QGGPBQFVFKVWJN-QGZVFWFLSA-N 0 0 268.381 4.568 10 0 CJAERN C[C@@H](O)c1ccc(Sc2ccccc2F)c(Cl)c1 ZINC000104283964 185955556 /nfs/dbraw/zinc/95/55/56/185955556.db2.gz BZLWDHPLXWJQPC-SECBINFHSA-N 0 0 282.767 4.684 10 0 CJAERN Cc1ccc(C)c(Sc2ccc(F)cc2[C@H](C)O)c1 ZINC000104288809 185956089 /nfs/dbraw/zinc/95/60/89/185956089.db2.gz ZTHAKWRYTVFUJY-LBPRGKRZSA-N 0 0 276.376 4.647 10 0 CJAERN Cc1ccc(C)c(Sc2ccc([C@@H](C)O)cc2)c1 ZINC000104289932 185956850 /nfs/dbraw/zinc/95/68/50/185956850.db2.gz RQCNREMHJFLEFD-CYBMUJFWSA-N 0 0 258.386 4.508 10 0 CJAERN Cc1ccc(C)c(Sc2ccc(F)cc2[C@@H](C)O)c1 ZINC000104291067 185956913 /nfs/dbraw/zinc/95/69/13/185956913.db2.gz ZTHAKWRYTVFUJY-GFCCVEGCSA-N 0 0 276.376 4.647 10 0 CJAERN CC(C)c1ccc(Sc2ccccc2C=O)cc1 ZINC000104291362 185956979 /nfs/dbraw/zinc/95/69/79/185956979.db2.gz CGJONWOYHGVAEN-UHFFFAOYSA-N 0 0 256.370 4.774 10 0 CJAERN C[C@@H](O)c1c(F)cccc1S[C@H]1CCC[C@@H](C)C1 ZINC000104293645 185957907 /nfs/dbraw/zinc/95/79/07/185957907.db2.gz OFQIOLWWWGAESX-UTUOFQBUSA-N 0 0 268.397 4.550 10 0 CJAERN C[C@@H](O)c1c(F)cccc1S[C@@H]1CCC[C@@H](C)C1 ZINC000104293656 185957998 /nfs/dbraw/zinc/95/79/98/185957998.db2.gz OFQIOLWWWGAESX-IJLUTSLNSA-N 0 0 268.397 4.550 10 0 CJAERN C[C@@H](O)c1c(F)cccc1S[C@@H]1CCC[C@H](C)C1 ZINC000104293660 185958024 /nfs/dbraw/zinc/95/80/24/185958024.db2.gz OFQIOLWWWGAESX-QJPTWQEYSA-N 0 0 268.397 4.550 10 0 CJAERN C[C@@H](O)c1cc(F)ccc1S[C@H]1CCC[C@H](C)C1 ZINC000104294867 185957356 /nfs/dbraw/zinc/95/73/56/185957356.db2.gz HIOZWIBHOWILFA-LOWVWBTDSA-N 0 0 268.397 4.550 10 0 CJAERN COc1ccccc1Sc1ccc([C@@H](C)O)cc1Cl ZINC000104298731 185958731 /nfs/dbraw/zinc/95/87/31/185958731.db2.gz AAUAFZOBEWIBJD-SNVBAGLBSA-N 0 0 294.803 4.553 10 0 CJAERN Cc1ccc(Sc2cccc(F)c2[C@H](C)O)cc1C ZINC000104299821 185959578 /nfs/dbraw/zinc/95/95/78/185959578.db2.gz YFOZLTPQQDGHEX-LBPRGKRZSA-N 0 0 276.376 4.647 10 0 CJAERN Cc1ccccc1Sc1cccc(Cl)c1C=O ZINC000104301160 518191052 /nfs/dbraw/zinc/19/10/52/518191052.db2.gz UZKXTLABNUEWKZ-UHFFFAOYSA-N 0 0 262.761 4.612 10 0 CJAERN CC(C)c1ccc(OCc2c(N)cccc2Cl)cc1 ZINC000104312029 185963900 /nfs/dbraw/zinc/96/39/00/185963900.db2.gz RNJDFUWSIFFADR-UHFFFAOYSA-N 0 0 275.779 4.625 10 0 CJAERN Cc1c2ccc(C)cc2oc1C(=O)C1CCCCC1 ZINC000104338776 185974355 /nfs/dbraw/zinc/97/43/55/185974355.db2.gz RFXNQZFUKBSLMG-UHFFFAOYSA-N 0 0 256.345 4.813 10 0 CJAERN CSc1ccccc1Oc1ccc(C(C)=O)cc1F ZINC000104345370 185976826 /nfs/dbraw/zinc/97/68/26/185976826.db2.gz WMPOAPIORQCPLV-UHFFFAOYSA-N 0 0 276.332 4.543 10 0 CJAERN Cc1cc2c(nc(-c3cc(F)ccc3C)nc2Cl)s1 ZINC000104348486 185979770 /nfs/dbraw/zinc/97/97/70/185979770.db2.gz SQMLPEPMOVPVRD-UHFFFAOYSA-N 0 0 292.766 4.768 10 0 CJAERN CCc1cc2c(nc(-c3cccc(F)c3)nc2Cl)s1 ZINC000104362957 185984044 /nfs/dbraw/zinc/98/40/44/185984044.db2.gz ROYTZAIQDGOSSF-UHFFFAOYSA-N 0 0 292.766 4.713 10 0 CJAERN CC[C@@H]1CCCC[C@@H]1Oc1ccc(C)cc1C(C)=O ZINC000104379099 185987245 /nfs/dbraw/zinc/98/72/45/185987245.db2.gz HNCWIMDKGJMIPU-ZBFHGGJFSA-N 0 0 260.377 4.545 10 0 CJAERN CC[C@H]1CCCC[C@@H]1Oc1ccc(Br)cc1 ZINC000104379127 185987120 /nfs/dbraw/zinc/98/71/20/185987120.db2.gz IUUMFMZTJQOSDR-FZMZJTMJSA-N 0 0 283.209 4.797 10 0 CJAERN CC[C@@H]1CCCC[C@H]1Oc1ccc(Br)cc1 ZINC000104379130 185987760 /nfs/dbraw/zinc/98/77/60/185987760.db2.gz IUUMFMZTJQOSDR-BXUZGUMPSA-N 0 0 283.209 4.797 10 0 CJAERN CC[C@@H]1CCCC[C@H]1Oc1ccc(C=O)cc1Cl ZINC000104380736 185987160 /nfs/dbraw/zinc/98/71/60/185987160.db2.gz SKHBAQFOOUUURD-TZMCWYRMSA-N 0 0 266.768 4.500 10 0 CJAERN CCC[C@@](O)(c1ccccc1)[C@H]1CCCC[C@@H]1CC ZINC000104383683 185987928 /nfs/dbraw/zinc/98/79/28/185987928.db2.gz PKOKOFXQBRKWHC-RYQLBKOJSA-N 0 0 260.421 4.891 10 0 CJAERN CCc1ccc([C@](C)(O)[C@@H]2CCCC[C@@H]2CC)cc1 ZINC000104383690 185988116 /nfs/dbraw/zinc/98/81/16/185988116.db2.gz BDWWATQAAUGEFU-JQHSSLGASA-N 0 0 260.421 4.673 10 0 CJAERN CC[C@@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1F ZINC000104384298 185987911 /nfs/dbraw/zinc/98/79/11/185987911.db2.gz YHAHUBFTYAHZAB-MFKMUULPSA-N 0 0 255.764 4.860 10 0 CJAERN CC[C@@H]1CCCC[C@@H]1C(=O)Cc1cc(C)cc(C)c1 ZINC000104389551 185989521 /nfs/dbraw/zinc/98/95/21/185989521.db2.gz GOFOTEQFYFSDLH-SJORKVTESA-N 0 0 258.405 4.631 10 0 CJAERN CC[C@H]1CCCC[C@@H]1C(=O)Cc1cc(C)cc(C)c1 ZINC000104389556 185988876 /nfs/dbraw/zinc/98/88/76/185988876.db2.gz GOFOTEQFYFSDLH-IRXDYDNUSA-N 0 0 258.405 4.631 10 0 CJAERN CC[C@H]1CCCC[C@@H]1C(=O)C1(c2ccccc2)CC1 ZINC000104390398 185988940 /nfs/dbraw/zinc/98/89/40/185988940.db2.gz GPQOCNNCYXIKBN-HOCLYGCPSA-N 0 0 256.389 4.504 10 0 CJAERN CCc1c(Cl)nc(-c2ccccc2Cl)nc1Cl ZINC000104429962 185999659 /nfs/dbraw/zinc/99/96/59/185999659.db2.gz XLLYXORLTONYKY-UHFFFAOYSA-N 0 0 287.577 4.666 10 0 CJAERN CC1(Cn2c(=S)[nH]c3cccc(Cl)c32)CCCC1 ZINC000104433582 186000657 /nfs/dbraw/zinc/00/06/57/186000657.db2.gz GORPJTGWMWTKOQ-UHFFFAOYSA-N 0 0 280.824 4.559 10 0 CJAERN C[C@@H](CC(=O)c1c[nH]c2cc(F)ccc12)C(C)(C)C ZINC000104434058 186000576 /nfs/dbraw/zinc/00/05/76/186000576.db2.gz JRWWBKYXRNGJMJ-JTQLQIEISA-N 0 0 261.340 4.562 10 0 CJAERN C[C@H](CC(=O)c1c[nH]c2cc(F)ccc12)C(C)(C)C ZINC000104434062 186000145 /nfs/dbraw/zinc/00/01/45/186000145.db2.gz JRWWBKYXRNGJMJ-SNVBAGLBSA-N 0 0 261.340 4.562 10 0 CJAERN CC1(CNc2nc3cccc(Cl)c3s2)CCCC1 ZINC000104435031 186001325 /nfs/dbraw/zinc/00/13/25/186001325.db2.gz HHXSGZKCTPGANT-UHFFFAOYSA-N 0 0 280.824 4.942 10 0 CJAERN COc1ccc(C(=O)C[C@H](C)C(C)(C)C)c(Cl)c1 ZINC000104435540 186001203 /nfs/dbraw/zinc/00/12/03/186001203.db2.gz QUZGYLLDQSNSOS-JTQLQIEISA-N 0 0 268.784 4.604 10 0 CJAERN COc1ccc(C(=O)C[C@@H](C)C(C)(C)C)c(Cl)c1 ZINC000104435544 186001412 /nfs/dbraw/zinc/00/14/12/186001412.db2.gz QUZGYLLDQSNSOS-SNVBAGLBSA-N 0 0 268.784 4.604 10 0 CJAERN CCOc1ccc(C)cc1C(=O)C[C@@H](C)C(C)(C)C ZINC000104435555 186001329 /nfs/dbraw/zinc/00/13/29/186001329.db2.gz IZQHNUCWUXMBDV-CYBMUJFWSA-N 0 0 262.393 4.649 10 0 CJAERN CCOc1ccc(C)cc1C(=O)C[C@H](C)C(C)(C)C ZINC000104435559 186001544 /nfs/dbraw/zinc/00/15/44/186001544.db2.gz IZQHNUCWUXMBDV-ZDUSSCGKSA-N 0 0 262.393 4.649 10 0 CJAERN CCC(CC)[C@@H](C)n1c(-c2ccccc2)c[nH]c1=S ZINC000104437399 186001168 /nfs/dbraw/zinc/00/11/68/186001168.db2.gz FATILYZBOKPTLE-GFCCVEGCSA-N 0 0 274.433 4.836 10 0 CJAERN CCC(CC)[C@H](C)n1c(-c2ccccc2)c[nH]c1=S ZINC000104437403 186001172 /nfs/dbraw/zinc/00/11/72/186001172.db2.gz FATILYZBOKPTLE-LBPRGKRZSA-N 0 0 274.433 4.836 10 0 CJAERN CCC(CC)[C@@H](C)Nc1nc2ccccc2cc1C ZINC000104438517 186002645 /nfs/dbraw/zinc/00/26/45/186002645.db2.gz MNEGZHLUFCYKBR-CYBMUJFWSA-N 0 0 256.393 4.780 10 0 CJAERN CCC(CC)[C@H](C)Nc1nc2ccccc2cc1C ZINC000104438522 186002248 /nfs/dbraw/zinc/00/22/48/186002248.db2.gz MNEGZHLUFCYKBR-ZDUSSCGKSA-N 0 0 256.393 4.780 10 0 CJAERN CCC(CC)[C@@H](C)Nc1c(F)c(F)c(F)c(F)c1F ZINC000104439717 186002147 /nfs/dbraw/zinc/00/21/47/186002147.db2.gz ZAOOSMDNLNOVEA-ZCFIWIBFSA-N 0 0 281.268 4.619 10 0 CJAERN CCC(CC)[C@H](C)Nc1c(F)c(F)c(F)c(F)c1F ZINC000104439720 186002666 /nfs/dbraw/zinc/00/26/66/186002666.db2.gz ZAOOSMDNLNOVEA-LURJTMIESA-N 0 0 281.268 4.619 10 0 CJAERN CCC(CC)[C@@H](C)n1c(=S)[nH]c2cc(Cl)ccc21 ZINC000104445700 186004839 /nfs/dbraw/zinc/00/48/39/186004839.db2.gz XPPSFRCXIZHYHX-SECBINFHSA-N 0 0 282.840 4.976 10 0 CJAERN CCC(CC)[C@H](C)n1c(=S)[nH]c2cc(Cl)ccc21 ZINC000104445702 186004963 /nfs/dbraw/zinc/00/49/63/186004963.db2.gz XPPSFRCXIZHYHX-VIFPVBQESA-N 0 0 282.840 4.976 10 0 CJAERN CCC(CC)[C@@H](C)n1c2c(ccc(F)c2F)[nH]c1=S ZINC000104445706 186005104 /nfs/dbraw/zinc/00/51/04/186005104.db2.gz YPDVRZCSANFBLM-MRVPVSSYSA-N 0 0 284.375 4.600 10 0 CJAERN CCC(CC)[C@H](C)n1c2c(ccc(F)c2F)[nH]c1=S ZINC000104445709 186005120 /nfs/dbraw/zinc/00/51/20/186005120.db2.gz YPDVRZCSANFBLM-QMMMGPOBSA-N 0 0 284.375 4.600 10 0 CJAERN CCC(CC)[C@@H](C)Nc1nc2cc(F)ccc2s1 ZINC000104445779 186005045 /nfs/dbraw/zinc/00/50/45/186005045.db2.gz LPGOLJNRCYAGLJ-SECBINFHSA-N 0 0 266.385 4.672 10 0 CJAERN CCC(CC)[C@H](C)Nc1nc2cc(F)ccc2s1 ZINC000104445782 186005371 /nfs/dbraw/zinc/00/53/71/186005371.db2.gz LPGOLJNRCYAGLJ-VIFPVBQESA-N 0 0 266.385 4.672 10 0 CJAERN CCC(CC)[C@@H](C)Nc1nc(Cl)nc2ccccc21 ZINC000104448308 186005864 /nfs/dbraw/zinc/00/58/64/186005864.db2.gz OZXNKGZFWPMLGP-SNVBAGLBSA-N 0 0 277.799 4.520 10 0 CJAERN CCC(CC)[C@H](C)Nc1nc(Cl)nc2ccccc21 ZINC000104448313 186006177 /nfs/dbraw/zinc/00/61/77/186006177.db2.gz OZXNKGZFWPMLGP-JTQLQIEISA-N 0 0 277.799 4.520 10 0 CJAERN CC1(CNc2ccnc3cc(Cl)ccc32)CCCC1 ZINC000104448591 186005998 /nfs/dbraw/zinc/00/59/98/186005998.db2.gz FMESGFWGXWHWMX-UHFFFAOYSA-N 0 0 274.795 4.880 10 0 CJAERN C[C@@H](CC(=O)Cc1cccc(Br)c1)C(C)(C)C ZINC000104448985 186006053 /nfs/dbraw/zinc/00/60/53/186006053.db2.gz VLPXNOVMAOJAOR-NSHDSACASA-N 0 0 297.236 4.633 10 0 CJAERN C[C@H](CC(=O)Cc1cccc(Br)c1)C(C)(C)C ZINC000104448987 186006363 /nfs/dbraw/zinc/00/63/63/186006363.db2.gz VLPXNOVMAOJAOR-LLVKDONJSA-N 0 0 297.236 4.633 10 0 CJAERN 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O=[N+]([O-])/C(=C/Sc1ccc(Cl)cc1)c1ccccc1 ZINC000108819686 186232112 /nfs/dbraw/zinc/23/21/12/186232112.db2.gz VNGXCHFYDXWGMX-GXDHUFHOSA-N 0 0 291.759 4.707 10 0 CJAERN O=Cc1ccc(/C=C\C=C/C=C\c2ccc(C=O)cc2)cc1 ZINC000108820569 186231784 /nfs/dbraw/zinc/23/17/84/186231784.db2.gz YYZOFWPAGUWHTM-XCADPSHZSA-N 0 0 288.346 4.594 10 0 CJAERN CC[C@H](Nc1ccc(N)cc1Cl)C1CCCCC1 ZINC000109677213 186268523 /nfs/dbraw/zinc/26/85/23/186268523.db2.gz HPPBCSOGBXDOOG-AWEZNQCLSA-N 0 0 266.816 4.693 10 0 CJAERN CC[C@@H](Nc1ccc(N)cc1Cl)C1CCCCC1 ZINC000109677215 186268673 /nfs/dbraw/zinc/26/86/73/186268673.db2.gz HPPBCSOGBXDOOG-CQSZACIVSA-N 0 0 266.816 4.693 10 0 CJAERN CCC(CC)(c1ccccc1)[C@H](O)C1CCCCC1 ZINC000109715639 186269969 /nfs/dbraw/zinc/26/99/69/186269969.db2.gz RFPIAHGQILMEBP-QGZVFWFLSA-N 0 0 260.421 4.686 10 0 CJAERN CCC(CC)(c1ccccc1)[C@@H](O)C1CCCCC1 ZINC000109715642 186270147 /nfs/dbraw/zinc/27/01/47/186270147.db2.gz RFPIAHGQILMEBP-KRWDZBQOSA-N 0 0 260.421 4.686 10 0 CJAERN 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ZINC000110446285 186296717 /nfs/dbraw/zinc/29/67/17/186296717.db2.gz NDMDVJOVFGEHDT-UHFFFAOYSA-N 0 0 293.197 4.719 10 0 CJAERN CCCc1cc(Cl)nc(-c2csc3ccccc23)n1 ZINC000110446291 186296196 /nfs/dbraw/zinc/29/61/96/186296196.db2.gz ANNYCCDXUVZDTA-UHFFFAOYSA-N 0 0 288.803 4.964 10 0 CJAERN CCCC1CCC(Nc2ccc(Br)cn2)CC1 ZINC000110463676 186296987 /nfs/dbraw/zinc/29/69/87/186296987.db2.gz IRCGSBLHWYDAGL-UHFFFAOYSA-N 0 0 297.240 4.615 10 0 CJAERN CCCc1cc(NC)c2c(Cl)cc(Cl)cc2n1 ZINC000110520442 186300736 /nfs/dbraw/zinc/30/07/36/186300736.db2.gz RMLNQFKQJCCYDQ-UHFFFAOYSA-N 0 0 269.175 4.536 10 0 CJAERN CCCc1cc(N)c2c(Cl)c(Cl)cc(Cl)c2n1 ZINC000110520450 186300764 /nfs/dbraw/zinc/30/07/64/186300764.db2.gz FYOSZXKFTVYJSX-UHFFFAOYSA-N 0 0 289.593 4.730 10 0 CJAERN CCCc1c(Cl)nc(CCc2ccccc2)nc1Cl ZINC000110621728 186306350 /nfs/dbraw/zinc/30/63/50/186306350.db2.gz MJKPTZXIXPHPCN-UHFFFAOYSA-N 0 0 295.213 4.521 10 0 CJAERN FC(F)(F)c1ccc(NCC2CCCC2)c(Cl)c1 ZINC000110916566 186332620 /nfs/dbraw/zinc/33/26/20/186332620.db2.gz NHPOLFQEAWQDMO-UHFFFAOYSA-N 0 0 277.717 4.961 10 0 CJAERN CCc1c(C)nc(-c2ccc(C(C)C)cc2)nc1Cl ZINC000111235636 186373680 /nfs/dbraw/zinc/37/36/80/186373680.db2.gz VMGQFKOHMRSYOS-UHFFFAOYSA-N 0 0 274.795 4.791 10 0 CJAERN Cc1c(Cl)c2cc(Cl)ccc2nc1C(F)(F)F ZINC000111308041 186394414 /nfs/dbraw/zinc/39/44/14/186394414.db2.gz AOHMQJVHDCGEQS-UHFFFAOYSA-N 0 0 280.076 4.869 10 0 CJAERN Cc1nc(C)c([C@@H](C)Nc2cccc3c2CCCC3)s1 ZINC000111359445 328352604 /nfs/dbraw/zinc/35/26/04/328352604.db2.gz FBYMAAATFKRVOS-GFCCVEGCSA-N 0 0 286.444 4.812 10 0 CJAERN Cc1nc(C)c([C@H](C)Nc2cccc3c2CCCC3)s1 ZINC000111359446 328352690 /nfs/dbraw/zinc/35/26/90/328352690.db2.gz FBYMAAATFKRVOS-LBPRGKRZSA-N 0 0 286.444 4.812 10 0 CJAERN CSc1ccc(NCc2ccnc3ccccc23)cc1 ZINC000111788338 328377852 /nfs/dbraw/zinc/37/78/52/328377852.db2.gz XTGFHJOIEJCBND-UHFFFAOYSA-N 0 0 280.396 4.569 10 0 CJAERN CC(C)c1cccc(NCc2ccnc3ccccc23)c1 ZINC000111788498 328377969 /nfs/dbraw/zinc/37/79/69/328377969.db2.gz ATOMNMMVBIVZIC-UHFFFAOYSA-N 0 0 276.383 4.970 10 0 CJAERN Cc1ccc(C(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000111817055 186459433 /nfs/dbraw/zinc/45/94/33/186459433.db2.gz RRCHLPGKFGVTQM-UHFFFAOYSA-N 0 0 279.166 4.727 10 0 CJAERN Cc1cc(C)cc(C[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000111817545 186459503 /nfs/dbraw/zinc/45/95/03/186459503.db2.gz IXQJZIQWBQZQFU-INIZCTEOSA-N 0 0 295.209 4.886 10 0 CJAERN Cc1ccc(C)c(C[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000111818563 186458803 /nfs/dbraw/zinc/45/88/03/186458803.db2.gz GIPCSPILWAKIGY-MRXNPFEDSA-N 0 0 295.209 4.886 10 0 CJAERN CC[C@@H]1CCCC[C@@H]1[C@H](O)c1ccc(Br)cc1 ZINC000111824021 186460407 /nfs/dbraw/zinc/46/04/07/186460407.db2.gz JPRKKDKOKXEFQY-BYCMXARLSA-N 0 0 297.236 4.699 10 0 CJAERN CC[C@@H]1CCCC[C@H]1[C@H](O)c1ccc(Br)cc1 ZINC000111824025 186459714 /nfs/dbraw/zinc/45/97/14/186459714.db2.gz JPRKKDKOKXEFQY-KCPJHIHWSA-N 0 0 297.236 4.699 10 0 CJAERN CC[C@@H]1CCCC[C@H]1[C@H](O)c1ccccc1Cl ZINC000111824187 186460505 /nfs/dbraw/zinc/46/05/05/186460505.db2.gz NLYFONVNSDGRSQ-JMSVASOKSA-N 0 0 252.785 4.590 10 0 CJAERN Cc1ccc2[nH]c(-c3cccc(Cl)c3Cl)nc2c1 ZINC000112866351 567876812 /nfs/dbraw/zinc/87/68/12/567876812.db2.gz NLCIFVKTEYVPGR-UHFFFAOYSA-N 0 0 277.154 4.845 10 0 CJAERN CCCCCC[C@H](C)n1c2ccccc2[nH]c1=S ZINC000113117394 186553722 /nfs/dbraw/zinc/55/37/22/186553722.db2.gz KPRFOPODCLOSIJ-LBPRGKRZSA-N 0 0 262.422 4.856 10 0 CJAERN Cc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@@H](c1ccccc1)N2 ZINC000114877574 186647368 /nfs/dbraw/zinc/64/73/68/186647368.db2.gz KMWMLXYKAILFAQ-ATZDWAIDSA-N 0 0 279.383 4.630 10 0 CJAERN C[C@H](CC(=O)N1CCC[C@@H]1c1ccco1)C1CCCCC1 ZINC000116038841 328688025 /nfs/dbraw/zinc/68/80/25/328688025.db2.gz QOGXJQHJMVYDEC-GDBMZVCRSA-N 0 0 289.419 4.550 10 0 CJAERN O=C(CCCC1CCCCC1)N1CCC[C@@H]1c1ccco1 ZINC000116043717 328689307 /nfs/dbraw/zinc/68/93/07/328689307.db2.gz UHYAXIIQCVKTAT-MRXNPFEDSA-N 0 0 289.419 4.694 10 0 CJAERN CC[C@H](CC(=O)N1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000116048506 329544545 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CJAERN Cc1ccc([C@H](O)c2c(C)ccc3ccccc32)cc1 ZINC000160998725 188502555 /nfs/dbraw/zinc/50/25/55/188502555.db2.gz FZLSPXONULVAAP-IBGZPJMESA-N 0 0 262.352 4.538 10 0 CJAERN Cc1ccc(Oc2cc(Cl)ccc2C=O)c(C)c1 ZINC000161356850 567882419 /nfs/dbraw/zinc/88/24/19/567882419.db2.gz GJQWPFSNFHEETN-UHFFFAOYSA-N 0 0 260.720 4.562 10 0 CJAERN Cc1ccc(N[C@H](C)c2ccccc2C(F)(F)F)cn1 ZINC000164703405 331291710 /nfs/dbraw/zinc/29/17/10/331291710.db2.gz JGKCJQDGNCAAEC-LLVKDONJSA-N 0 0 280.293 4.582 10 0 CJAERN CCCCc1ccc(N[C@@H](C)c2cncs2)cc1 ZINC000164959198 261362244 /nfs/dbraw/zinc/36/22/44/261362244.db2.gz KNUYTPZONBAINC-LBPRGKRZSA-N 0 0 260.406 4.659 10 0 CJAERN CCCCc1ccc(N[C@H](C)c2cncs2)cc1 ZINC000164959302 331305389 /nfs/dbraw/zinc/30/53/89/331305389.db2.gz KNUYTPZONBAINC-GFCCVEGCSA-N 0 0 260.406 4.659 10 0 CJAERN C[C@H](Nc1ccc(OC2CCCC2)cc1)c1cncs1 ZINC000165089676 331305791 /nfs/dbraw/zinc/30/57/91/331305791.db2.gz RWWGNDIANYGJGC-LBPRGKRZSA-N 0 0 288.416 4.638 10 0 CJAERN C[C@@H](Nc1ccc(OC2CCCC2)cc1)c1cncs1 ZINC000165089796 331305794 /nfs/dbraw/zinc/30/57/94/331305794.db2.gz RWWGNDIANYGJGC-GFCCVEGCSA-N 0 0 288.416 4.638 10 0 CJAERN C[C@H](Nc1ccc(SC(F)F)cc1)c1cncs1 ZINC000165510105 261372265 /nfs/dbraw/zinc/37/22/65/261372265.db2.gz ZBCCGXGUSXMSNT-QMMMGPOBSA-N 0 0 286.372 4.631 10 0 CJAERN C[C@@H](Nc1ccc(SC(F)F)cc1)c1cncs1 ZINC000165510237 261372061 /nfs/dbraw/zinc/37/20/61/261372061.db2.gz ZBCCGXGUSXMSNT-MRVPVSSYSA-N 0 0 286.372 4.631 10 0 CJAERN Cc1ccc(N[C@@H](C)c2cncs2)cc1C(F)(F)F ZINC000165571082 331306273 /nfs/dbraw/zinc/30/62/73/331306273.db2.gz JIHUTBRPJQHGIV-VIFPVBQESA-N 0 0 286.322 4.643 10 0 CJAERN Cc1ccc(N[C@H](C)c2cncs2)cc1C(F)(F)F ZINC000165571216 331306300 /nfs/dbraw/zinc/30/63/00/331306300.db2.gz JIHUTBRPJQHGIV-SECBINFHSA-N 0 0 286.322 4.643 10 0 CJAERN C[C@@H](Nc1cc(Cl)cc2cccnc21)c1cncs1 ZINC000165600534 334900452 /nfs/dbraw/zinc/90/04/52/334900452.db2.gz GTMBMLSMIJMMLC-SECBINFHSA-N 0 0 289.791 4.518 10 0 CJAERN Cc1ccc(C(F)(F)F)cc1N[C@@H](C)c1cncs1 ZINC000165604892 331306301 /nfs/dbraw/zinc/30/63/01/331306301.db2.gz AXPZOQUXQJDBPR-VIFPVBQESA-N 0 0 286.322 4.643 10 0 CJAERN Cc1ccc(C(F)(F)F)cc1N[C@H](C)c1cncs1 ZINC000165605023 331306221 /nfs/dbraw/zinc/30/62/21/331306221.db2.gz AXPZOQUXQJDBPR-SECBINFHSA-N 0 0 286.322 4.643 10 0 CJAERN CCCOc1ccc(Cl)cc1N[C@@H](C)c1cncs1 ZINC000165681973 331306234 /nfs/dbraw/zinc/30/62/34/331306234.db2.gz YHWOFWADCQFZRP-JTQLQIEISA-N 0 0 296.823 4.758 10 0 CJAERN CCCOc1ccc(Cl)cc1N[C@H](C)c1cncs1 ZINC000165682100 331306297 /nfs/dbraw/zinc/30/62/97/331306297.db2.gz YHWOFWADCQFZRP-SNVBAGLBSA-N 0 0 296.823 4.758 10 0 CJAERN CCc1cc(Br)ccc1-c1ccccc1 ZINC000165886869 256700818 /nfs/dbraw/zinc/70/08/18/256700818.db2.gz BWSROJHYPQKRJH-UHFFFAOYSA-N 0 0 261.162 4.679 10 0 CJAERN CCCc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000169342413 188659771 /nfs/dbraw/zinc/65/97/71/188659771.db2.gz DOLXBTIOFJLVJW-UHFFFAOYSA-N 0 0 270.372 4.535 10 0 CJAERN CC1(C)C=C[C@@](c2ccccc2)(c2ccc(Cl)cc2)O1 ZINC000169344280 188659887 /nfs/dbraw/zinc/65/98/87/188659887.db2.gz LWRLCDZIFGXXSW-GOSISDBHSA-N 0 0 284.786 4.949 10 0 CJAERN C[Si](C)(C)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000169806150 188665551 /nfs/dbraw/zinc/66/55/51/188665551.db2.gz HVYYOYCLSZUXOR-MPEURRAXSA-N 0 0 287.317 4.813 10 0 CJAERN Cc1ccccc1-c1nc2cccc3cccc([nH]1)c32 ZINC000169972923 188666586 /nfs/dbraw/zinc/66/65/86/188666586.db2.gz FUWLRFWLIYXSCU-UHFFFAOYSA-N 0 0 258.324 4.692 10 0 CJAERN C[C@H](NC(=O)Nc1cccc(C(F)F)c1)c1cccs1 ZINC000171393294 335064336 /nfs/dbraw/zinc/06/43/36/335064336.db2.gz JXVYYUUXHHMZQB-VIFPVBQESA-N 0 0 296.342 4.568 10 0 CJAERN C[C@@H](NC(=O)Nc1cccc(C(F)F)c1)c1cccs1 ZINC000171393300 335064415 /nfs/dbraw/zinc/06/44/15/335064415.db2.gz JXVYYUUXHHMZQB-SECBINFHSA-N 0 0 296.342 4.568 10 0 CJAERN CC(C)n1ccnc1CS[C@@H](C)c1c(F)cccc1F ZINC000171678265 335074159 /nfs/dbraw/zinc/07/41/59/335074159.db2.gz XNZVHIFREIIGRX-NSHDSACASA-N 0 0 296.386 4.737 10 0 CJAERN CC(C)n1ccnc1CS[C@H](C)c1c(F)cccc1F ZINC000171678270 335074109 /nfs/dbraw/zinc/07/41/09/335074109.db2.gz XNZVHIFREIIGRX-LLVKDONJSA-N 0 0 296.386 4.737 10 0 CJAERN CC(C)n1ccnc1CS[C@@H](C)c1ccc(F)cc1 ZINC000171678297 327661951 /nfs/dbraw/zinc/66/19/51/327661951.db2.gz ONUSHTRBKYBWJY-LBPRGKRZSA-N 0 0 278.396 4.598 10 0 CJAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2cccc(C)c2)o1 ZINC000173197324 332966287 /nfs/dbraw/zinc/96/62/87/332966287.db2.gz FNAGNNIGANHWJY-INIZCTEOSA-N 0 0 298.386 4.656 10 0 CJAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(C)cc2)o1 ZINC000173198649 332966342 /nfs/dbraw/zinc/96/63/42/332966342.db2.gz FUTHLOLSMPPCLO-MRXNPFEDSA-N 0 0 298.386 4.656 10 0 CJAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(C)cc2)o1 ZINC000173198664 332966301 /nfs/dbraw/zinc/96/63/01/332966301.db2.gz FUTHLOLSMPPCLO-INIZCTEOSA-N 0 0 298.386 4.656 10 0 CJAERN C[C@H](N[C@@H](C)c1ncc(-c2ccccc2)o1)c1cccs1 ZINC000173811578 329152566 /nfs/dbraw/zinc/15/25/66/329152566.db2.gz AXTMJDHDFDYGKC-STQMWFEESA-N 0 0 298.411 4.815 10 0 CJAERN C[C@@H](N[C@@H](C)c1ncc(-c2ccccc2)o1)c1cccs1 ZINC000173811591 329152660 /nfs/dbraw/zinc/15/26/60/329152660.db2.gz AXTMJDHDFDYGKC-OLZOCXBDSA-N 0 0 298.411 4.815 10 0 CJAERN C[C@@H](N[C@@H](C)c1cccs1)c1ncc(-c2ccccc2)o1 ZINC000173811601 329152645 /nfs/dbraw/zinc/15/26/45/329152645.db2.gz AXTMJDHDFDYGKC-QWHCGFSZSA-N 0 0 298.411 4.815 10 0 CJAERN C[C@@H](N[C@H](C)c1ncc(-c2ccccc2)o1)c1cccs1 ZINC000173811612 329152688 /nfs/dbraw/zinc/15/26/88/329152688.db2.gz AXTMJDHDFDYGKC-CHWSQXEVSA-N 0 0 298.411 4.815 10 0 CJAERN CCc1ccc([C@H]2CCCCN2C(=O)Nc2ccccc2)o1 ZINC000173899231 332985276 /nfs/dbraw/zinc/98/52/76/332985276.db2.gz CBNLNTMLXZGBSY-MRXNPFEDSA-N 0 0 298.386 4.601 10 0 CJAERN CC(C)n1ccnc1CS[C@@H](C)c1cccc(F)c1 ZINC000175291648 261216822 /nfs/dbraw/zinc/21/68/22/261216822.db2.gz GRXVSSDRTHHQOF-LBPRGKRZSA-N 0 0 278.396 4.598 10 0 CJAERN CC(C)n1ccnc1CS[C@H](C)c1cccc(F)c1 ZINC000175291665 261216591 /nfs/dbraw/zinc/21/65/91/261216591.db2.gz GRXVSSDRTHHQOF-GFCCVEGCSA-N 0 0 278.396 4.598 10 0 CJAERN CC(C)n1ccnc1CS[C@@H](C)c1cc(F)ccc1F ZINC000175291824 261217212 /nfs/dbraw/zinc/21/72/12/261217212.db2.gz RCHZNXYZVHPMLU-NSHDSACASA-N 0 0 296.386 4.737 10 0 CJAERN CC(C)n1ccnc1CS[C@H](C)c1cc(F)ccc1F ZINC000175291842 261217283 /nfs/dbraw/zinc/21/72/83/261217283.db2.gz RCHZNXYZVHPMLU-LLVKDONJSA-N 0 0 296.386 4.737 10 0 CJAERN CC(C)n1ccnc1CS[C@@H](C)c1ccc(F)c(F)c1 ZINC000175292482 261216880 /nfs/dbraw/zinc/21/68/80/261216880.db2.gz GGUNZDALTFTUQC-NSHDSACASA-N 0 0 296.386 4.737 10 0 CJAERN CC(C)n1ccnc1CS[C@H](C)c1ccc(F)c(F)c1 ZINC000175292499 261216959 /nfs/dbraw/zinc/21/69/59/261216959.db2.gz GGUNZDALTFTUQC-LLVKDONJSA-N 0 0 296.386 4.737 10 0 CJAERN CC(C)n1ccnc1CS[C@@H](C)c1ccc(F)cc1F ZINC000175292596 261217302 /nfs/dbraw/zinc/21/73/02/261217302.db2.gz TZUIWVYHOGCWAY-NSHDSACASA-N 0 0 296.386 4.737 10 0 CJAERN CC(C)n1ccnc1CS[C@H](C)c1ccc(F)cc1F ZINC000175292612 261217247 /nfs/dbraw/zinc/21/72/47/261217247.db2.gz TZUIWVYHOGCWAY-LLVKDONJSA-N 0 0 296.386 4.737 10 0 CJAERN Cc1cc(CSCc2nccn2C(C)C)c(C)s1 ZINC000175293857 261217154 /nfs/dbraw/zinc/21/71/54/261217154.db2.gz YNUWWQZZNAUTLQ-UHFFFAOYSA-N 0 0 280.462 4.576 10 0 CJAERN C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc2ccccc2n1 ZINC000178178381 333069154 /nfs/dbraw/zinc/06/91/54/333069154.db2.gz HFKXFKGTTQEAFP-OLZOCXBDSA-N 0 0 282.412 4.708 10 0 CJAERN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2n1)c1cccs1 ZINC000178178396 333069170 /nfs/dbraw/zinc/06/91/70/333069170.db2.gz HFKXFKGTTQEAFP-QWHCGFSZSA-N 0 0 282.412 4.708 10 0 CJAERN C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2n1)c1cccs1 ZINC000178178407 333069118 /nfs/dbraw/zinc/06/91/18/333069118.db2.gz HFKXFKGTTQEAFP-CHWSQXEVSA-N 0 0 282.412 4.708 10 0 CJAERN c1csc([C@H]2CCCCN2Cc2cc3ccccc3o2)n1 ZINC000178523394 329197927 /nfs/dbraw/zinc/19/79/27/329197927.db2.gz IUKFINKZGSNDKC-OAHLLOKOSA-N 0 0 298.411 4.617 10 0 CJAERN c1csc([C@@H]2CCCCN2Cc2cc3ccccc3o2)n1 ZINC000178523401 329197900 /nfs/dbraw/zinc/19/79/00/329197900.db2.gz IUKFINKZGSNDKC-HNNXBMFYSA-N 0 0 298.411 4.617 10 0 CJAERN C[C@H](NC(=O)CC[C@H](C)c1ccccc1)c1cccs1 ZINC000178559418 333075261 /nfs/dbraw/zinc/07/52/61/333075261.db2.gz FOCLIRGDNXKZKY-KBPBESRZSA-N 0 0 287.428 4.509 10 0 CJAERN C[C@H](CCC(=O)N[C@@H](C)c1cccs1)c1ccccc1 ZINC000178559429 333075095 /nfs/dbraw/zinc/07/50/95/333075095.db2.gz FOCLIRGDNXKZKY-KGLIPLIRSA-N 0 0 287.428 4.509 10 0 CJAERN Cc1cc(N[C@@H](C)c2cncc(F)c2)c2cccnc2c1C ZINC000179982607 335537952 /nfs/dbraw/zinc/53/79/52/335537952.db2.gz XVLXZERNGNSMMX-ZDUSSCGKSA-N 0 0 295.361 4.559 10 0 CJAERN Cc1coc(-c2ccc(C)c(N[C@@H](C)c3ccoc3)c2)n1 ZINC000180035310 329214832 /nfs/dbraw/zinc/21/48/32/329214832.db2.gz RZQORQBGXMZDSM-ZDUSSCGKSA-N 0 0 282.343 4.725 10 0 CJAERN Cc1coc(-c2ccc(C)c(N[C@H](C)c3ccoc3)c2)n1 ZINC000180035327 329214848 /nfs/dbraw/zinc/21/48/48/329214848.db2.gz RZQORQBGXMZDSM-CYBMUJFWSA-N 0 0 282.343 4.725 10 0 CJAERN Cc1coc(-c2ccc(C)c(N[C@@H](C)c3cccnc3)c2)n1 ZINC000180036094 329214735 /nfs/dbraw/zinc/21/47/35/329214735.db2.gz DJBYBWGXTLAERI-AWEZNQCLSA-N 0 0 293.370 4.527 10 0 CJAERN Cc1coc(-c2ccc(C)c(N[C@H](C)c3cccnc3)c2)n1 ZINC000180036107 329214919 /nfs/dbraw/zinc/21/49/19/329214919.db2.gz DJBYBWGXTLAERI-CQSZACIVSA-N 0 0 293.370 4.527 10 0 CJAERN Cc1coc(-c2ccc(C)c(N[C@@H](C)c3ccncc3)c2)n1 ZINC000180036589 329214817 /nfs/dbraw/zinc/21/48/17/329214817.db2.gz DMACPVSIFAMRBW-AWEZNQCLSA-N 0 0 293.370 4.527 10 0 CJAERN Cc1coc(-c2ccc(C)c(N[C@H](C)c3ccncc3)c2)n1 ZINC000180036604 329214916 /nfs/dbraw/zinc/21/49/16/329214916.db2.gz DMACPVSIFAMRBW-CQSZACIVSA-N 0 0 293.370 4.527 10 0 CJAERN Cc1cc(Cl)c(C(=O)N[C@@H](C)c2cccs2)cc1C ZINC000180323075 261854131 /nfs/dbraw/zinc/85/41/31/261854131.db2.gz IWWGLOJVDKQLHE-NSHDSACASA-N 0 0 293.819 4.509 10 0 CJAERN Cc1cc(Cl)c(C(=O)N[C@H](C)c2cccs2)cc1C ZINC000180323094 260098438 /nfs/dbraw/zinc/09/84/38/260098438.db2.gz IWWGLOJVDKQLHE-LLVKDONJSA-N 0 0 293.819 4.509 10 0 CJAERN C[C@H]([NH2+]Cc1ccc(Oc2ccccc2)o1)c1cccs1 ZINC000180759196 260110993 /nfs/dbraw/zinc/11/09/93/260110993.db2.gz IUFAXCUNOJZESU-ZDUSSCGKSA-N 0 0 299.395 4.984 10 0 CJAERN C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)o1)c1cccs1 ZINC000180759212 260111002 /nfs/dbraw/zinc/11/10/02/260111002.db2.gz IUFAXCUNOJZESU-CYBMUJFWSA-N 0 0 299.395 4.984 10 0 CJAERN Cc1ccc([C@@H](C)NCc2ccc(Oc3ccccc3)o2)o1 ZINC000180766079 260110682 /nfs/dbraw/zinc/11/06/82/260110682.db2.gz VUDACIMPUJIVKU-CQSZACIVSA-N 0 0 297.354 4.824 10 0 CJAERN Cc1ccc([C@H](C)NCc2ccc(Oc3ccccc3)o2)o1 ZINC000180766107 260110844 /nfs/dbraw/zinc/11/08/44/260110844.db2.gz VUDACIMPUJIVKU-AWEZNQCLSA-N 0 0 297.354 4.824 10 0 CJAERN Cc1ccccc1N[C@H](C)c1nc2c(s1)CCCC2 ZINC000182531826 335825707 /nfs/dbraw/zinc/82/57/07/335825707.db2.gz HZRFEAKEQSUJOR-GFCCVEGCSA-N 0 0 272.417 4.503 10 0 CJAERN CCc1nc2c(s1)[C@@H](Nc1ccccc1C)CCC2 ZINC000182534491 335825805 /nfs/dbraw/zinc/82/58/05/335825805.db2.gz ZGDOKKMMMSFUQD-ZDUSSCGKSA-N 0 0 272.417 4.503 10 0 CJAERN Cc1ccc([C@@H](C)N[C@@H](C)c2ncc(-c3ccccc3)o2)o1 ZINC000182598712 329243125 /nfs/dbraw/zinc/24/31/25/329243125.db2.gz COPZKXXPYDODSC-KGLIPLIRSA-N 0 0 296.370 4.655 10 0 CJAERN Cc1ccc([C@H](C)N[C@@H](C)c2ncc(-c3ccccc3)o2)o1 ZINC000182598732 329243085 /nfs/dbraw/zinc/24/30/85/329243085.db2.gz COPZKXXPYDODSC-KBPBESRZSA-N 0 0 296.370 4.655 10 0 CJAERN Cc1ccc([C@@H](C)N[C@H](C)c2ncc(-c3ccccc3)o2)o1 ZINC000182598748 329243087 /nfs/dbraw/zinc/24/30/87/329243087.db2.gz COPZKXXPYDODSC-ZIAGYGMSSA-N 0 0 296.370 4.655 10 0 CJAERN Cc1ccc([C@H](C)N[C@H](C)c2ncc(-c3ccccc3)o2)o1 ZINC000182598768 329243116 /nfs/dbraw/zinc/24/31/16/329243116.db2.gz COPZKXXPYDODSC-UONOGXRCSA-N 0 0 296.370 4.655 10 0 CJAERN Cc1ncc(-c2ccc(N[C@@H]3CCc4ccccc43)cc2)o1 ZINC000182723175 335838728 /nfs/dbraw/zinc/83/87/28/335838728.db2.gz RADHNFWMDTXRTH-GOSISDBHSA-N 0 0 290.366 4.749 10 0 CJAERN Cc1ccc(N[C@@H](C)c2nc(-c3ccccc3)cs2)cn1 ZINC000182910752 335849690 /nfs/dbraw/zinc/84/96/90/335849690.db2.gz XEVZAUALFQUBOX-ZDUSSCGKSA-N 0 0 295.411 4.687 10 0 CJAERN Cc1ccc(N[C@H](C)c2nc(-c3ccccc3)cs2)cn1 ZINC000182910775 335849805 /nfs/dbraw/zinc/84/98/05/335849805.db2.gz XEVZAUALFQUBOX-CYBMUJFWSA-N 0 0 295.411 4.687 10 0 CJAERN Cc1cncc([C@@H](C)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000184460570 333129102 /nfs/dbraw/zinc/12/91/02/333129102.db2.gz XBYNREYTBNLVQN-LLVKDONJSA-N 0 0 280.293 4.582 10 0 CJAERN Cc1cncc([C@H](C)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000184460589 333129087 /nfs/dbraw/zinc/12/90/87/333129087.db2.gz XBYNREYTBNLVQN-NSHDSACASA-N 0 0 280.293 4.582 10 0 CJAERN Cc1cncc([C@@H](C)Nc2cc(C)c(C)c3ncccc23)c1 ZINC000184475313 333129136 /nfs/dbraw/zinc/12/91/36/333129136.db2.gz WEWOZKOJSCLWLP-OAHLLOKOSA-N 0 0 291.398 4.728 10 0 CJAERN Cc1cncc([C@H](C)Nc2cc(C)c(C)c3ncccc23)c1 ZINC000184475333 333129044 /nfs/dbraw/zinc/12/90/44/333129044.db2.gz WEWOZKOJSCLWLP-HNNXBMFYSA-N 0 0 291.398 4.728 10 0 CJAERN CC(C)n1ccnc1CSCc1ccc(C(F)F)cc1 ZINC000185635670 329328322 /nfs/dbraw/zinc/32/83/22/329328322.db2.gz BWDWLLWMXBQXFU-UHFFFAOYSA-N 0 0 296.386 4.835 10 0 CJAERN Cc1ccccc1N[C@@H](C)c1csc(C(C)C)n1 ZINC000186444158 333160995 /nfs/dbraw/zinc/16/09/95/333160995.db2.gz QIODDHSAGHYILR-LBPRGKRZSA-N 0 0 260.406 4.748 10 0 CJAERN Cc1ccccc1N[C@H](C)c1csc(C(C)C)n1 ZINC000186444173 333160884 /nfs/dbraw/zinc/16/08/84/333160884.db2.gz QIODDHSAGHYILR-GFCCVEGCSA-N 0 0 260.406 4.748 10 0 CJAERN Cc1ccc(C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)c(C)n1 ZINC000187193308 333168377 /nfs/dbraw/zinc/16/83/77/333168377.db2.gz VDTOLOQUKBHBDQ-HNNXBMFYSA-N 0 0 282.431 4.673 10 0 CJAERN Cc1ccc(C[NH2+][C@H](C)c2ccc(C(C)C)cc2)c(C)n1 ZINC000187193324 333168503 /nfs/dbraw/zinc/16/85/03/333168503.db2.gz VDTOLOQUKBHBDQ-OAHLLOKOSA-N 0 0 282.431 4.673 10 0 CJAERN Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(Cl)c2F)o1 ZINC000187494307 333171840 /nfs/dbraw/zinc/17/18/40/333171840.db2.gz UXKMTPHJPKYCPZ-WDEREUQCSA-N 0 0 281.758 4.792 10 0 CJAERN Cc1ccc([C@H](C)N[C@@H](C)c2cccc(Cl)c2F)o1 ZINC000187494323 333171765 /nfs/dbraw/zinc/17/17/65/333171765.db2.gz UXKMTPHJPKYCPZ-QWRGUYRKSA-N 0 0 281.758 4.792 10 0 CJAERN Cc1ccc([C@@H](C)N[C@H](C)c2cccc(Cl)c2F)o1 ZINC000187494333 333171767 /nfs/dbraw/zinc/17/17/67/333171767.db2.gz UXKMTPHJPKYCPZ-GHMZBOCLSA-N 0 0 281.758 4.792 10 0 CJAERN Cc1ccc([C@H](C)N[C@H](C)c2cccc(Cl)c2F)o1 ZINC000187494350 333171825 /nfs/dbraw/zinc/17/18/25/333171825.db2.gz UXKMTPHJPKYCPZ-MNOVXSKESA-N 0 0 281.758 4.792 10 0 CJAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc3occ(C)c3c2)o1 ZINC000187948719 261809317 /nfs/dbraw/zinc/80/93/17/261809317.db2.gz FWOHYAPVJSTMSI-GFCCVEGCSA-N 0 0 298.342 4.525 10 0 CJAERN Cc1ccc([C@H](C)NC(=O)Nc2ccc3occ(C)c3c2)o1 ZINC000187948746 261808927 /nfs/dbraw/zinc/80/89/27/261808927.db2.gz FWOHYAPVJSTMSI-LBPRGKRZSA-N 0 0 298.342 4.525 10 0 CJAERN Cc1c([C@H](C)Nc2cccc(C)c2C)cnn1C(C)(C)C ZINC000191416338 333219584 /nfs/dbraw/zinc/21/95/84/333219584.db2.gz SEXHWPNLPJYYCH-AWEZNQCLSA-N 0 0 285.435 4.736 10 0 CJAERN Cc1c([C@@H](C)Nc2cccc(C)c2C)cnn1C(C)(C)C ZINC000191416352 333219579 /nfs/dbraw/zinc/21/95/79/333219579.db2.gz SEXHWPNLPJYYCH-CQSZACIVSA-N 0 0 285.435 4.736 10 0 CJAERN CCc1ccccc1N[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191416776 333219517 /nfs/dbraw/zinc/21/95/17/333219517.db2.gz NTMSDAVGUUFGIJ-ZDUSSCGKSA-N 0 0 285.435 4.682 10 0 CJAERN CCc1ccccc1N[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191416793 333219586 /nfs/dbraw/zinc/21/95/86/333219586.db2.gz NTMSDAVGUUFGIJ-CYBMUJFWSA-N 0 0 285.435 4.682 10 0 CJAERN CCc1ccc(N[C@@H](C)c2cnn(C(C)(C)C)c2C)cc1 ZINC000191420332 333219520 /nfs/dbraw/zinc/21/95/20/333219520.db2.gz CNOURTAVERSGPR-ZDUSSCGKSA-N 0 0 285.435 4.682 10 0 CJAERN CCc1ccc(N[C@H](C)c2cnn(C(C)(C)C)c2C)cc1 ZINC000191420343 333219558 /nfs/dbraw/zinc/21/95/58/333219558.db2.gz CNOURTAVERSGPR-CYBMUJFWSA-N 0 0 285.435 4.682 10 0 CJAERN CCc1cccc(N[C@@H](C)c2cnn(C(C)(C)C)c2C)c1 ZINC000191420543 333219643 /nfs/dbraw/zinc/21/96/43/333219643.db2.gz DYFYIGGLMHFZFI-ZDUSSCGKSA-N 0 0 285.435 4.682 10 0 CJAERN CCc1cccc(N[C@H](C)c2cnn(C(C)(C)C)c2C)c1 ZINC000191420557 333219640 /nfs/dbraw/zinc/21/96/40/333219640.db2.gz DYFYIGGLMHFZFI-CYBMUJFWSA-N 0 0 285.435 4.682 10 0 CJAERN Cc1c([C@@H](C)Nc2cccc(Cl)c2)cnn1C(C)(C)C ZINC000191427870 333219533 /nfs/dbraw/zinc/21/95/33/333219533.db2.gz SWCMFWJGWYIFHP-LLVKDONJSA-N 0 0 291.826 4.773 10 0 CJAERN Cc1c([C@H](C)Nc2cccc(Cl)c2)cnn1C(C)(C)C ZINC000191427884 333219556 /nfs/dbraw/zinc/21/95/56/333219556.db2.gz SWCMFWJGWYIFHP-NSHDSACASA-N 0 0 291.826 4.773 10 0 CJAERN Cc1c([C@@H](C)Nc2ccc(Cl)cc2)cnn1C(C)(C)C ZINC000191448077 333219906 /nfs/dbraw/zinc/21/99/06/333219906.db2.gz IYAPYYROGMBKCJ-LLVKDONJSA-N 0 0 291.826 4.773 10 0 CJAERN Cc1c([C@H](C)Nc2ccc(Cl)cc2)cnn1C(C)(C)C ZINC000191448090 333219921 /nfs/dbraw/zinc/21/99/21/333219921.db2.gz IYAPYYROGMBKCJ-NSHDSACASA-N 0 0 291.826 4.773 10 0 CJAERN Cc1c([C@H](C)Nc2ccc(F)c(C)c2)cnn1C(C)(C)C ZINC000191452769 333219955 /nfs/dbraw/zinc/21/99/55/333219955.db2.gz NPDIARDGAIAIKI-LBPRGKRZSA-N 0 0 289.398 4.567 10 0 CJAERN Cc1c([C@@H](C)Nc2ccc(F)c(C)c2)cnn1C(C)(C)C ZINC000191452784 333219902 /nfs/dbraw/zinc/21/99/02/333219902.db2.gz NPDIARDGAIAIKI-GFCCVEGCSA-N 0 0 289.398 4.567 10 0 CJAERN Cc1c([C@H](C)Nc2cccc(C)c2F)cnn1C(C)(C)C ZINC000191459484 333219997 /nfs/dbraw/zinc/21/99/97/333219997.db2.gz GRGQDXTWNGTVSI-LBPRGKRZSA-N 0 0 289.398 4.567 10 0 CJAERN Cc1c([C@@H](C)Nc2cccc(C)c2F)cnn1C(C)(C)C ZINC000191459498 333219969 /nfs/dbraw/zinc/21/99/69/333219969.db2.gz GRGQDXTWNGTVSI-GFCCVEGCSA-N 0 0 289.398 4.567 10 0 CJAERN Cc1c([C@H](C)Nc2ccc(C)cc2C)cnn1C(C)(C)C ZINC000191461774 333219923 /nfs/dbraw/zinc/21/99/23/333219923.db2.gz NMOYKYLGHAYZHX-AWEZNQCLSA-N 0 0 285.435 4.736 10 0 CJAERN Cc1c([C@@H](C)Nc2ccc(C)cc2C)cnn1C(C)(C)C ZINC000191461786 333219947 /nfs/dbraw/zinc/21/99/47/333219947.db2.gz NMOYKYLGHAYZHX-CQSZACIVSA-N 0 0 285.435 4.736 10 0 CJAERN Cc1c([C@H](C)Nc2ccc(F)cc2C)cnn1C(C)(C)C ZINC000191461913 333220005 /nfs/dbraw/zinc/22/00/05/333220005.db2.gz ABPCCVUMHISFGN-LBPRGKRZSA-N 0 0 289.398 4.567 10 0 CJAERN Cc1c([C@@H](C)Nc2ccc(F)cc2C)cnn1C(C)(C)C ZINC000191461922 333220202 /nfs/dbraw/zinc/22/02/02/333220202.db2.gz ABPCCVUMHISFGN-GFCCVEGCSA-N 0 0 289.398 4.567 10 0 CJAERN Cc1c([C@H](C)Nc2cc(C)ccc2C)cnn1C(C)(C)C ZINC000191466227 333220205 /nfs/dbraw/zinc/22/02/05/333220205.db2.gz QAQCQXKEOVKDLA-AWEZNQCLSA-N 0 0 285.435 4.736 10 0 CJAERN Cc1c([C@@H](C)Nc2cc(C)ccc2C)cnn1C(C)(C)C ZINC000191466239 333220223 /nfs/dbraw/zinc/22/02/23/333220223.db2.gz QAQCQXKEOVKDLA-CQSZACIVSA-N 0 0 285.435 4.736 10 0 CJAERN Cc1c([C@H](C)Nc2cc(F)ccc2C)cnn1C(C)(C)C ZINC000191466598 333220134 /nfs/dbraw/zinc/22/01/34/333220134.db2.gz DFFYHWWMPRFFND-LBPRGKRZSA-N 0 0 289.398 4.567 10 0 CJAERN Cc1c([C@@H](C)Nc2cc(F)ccc2C)cnn1C(C)(C)C ZINC000191466613 333220201 /nfs/dbraw/zinc/22/02/01/333220201.db2.gz DFFYHWWMPRFFND-GFCCVEGCSA-N 0 0 289.398 4.567 10 0 CJAERN Cc1c([C@H](C)Nc2cc(C)cc(F)c2)cnn1C(C)(C)C ZINC000191470171 333220130 /nfs/dbraw/zinc/22/01/30/333220130.db2.gz PFILQVCDRUQVNO-LBPRGKRZSA-N 0 0 289.398 4.567 10 0 CJAERN Cc1c([C@@H](C)Nc2cc(C)cc(F)c2)cnn1C(C)(C)C ZINC000191470184 333220115 /nfs/dbraw/zinc/22/01/15/333220115.db2.gz PFILQVCDRUQVNO-GFCCVEGCSA-N 0 0 289.398 4.567 10 0 CJAERN Cc1c([C@H](C)Nc2cccc(F)c2C)cnn1C(C)(C)C ZINC000191470563 333220142 /nfs/dbraw/zinc/22/01/42/333220142.db2.gz MYPJYSNVYKOEFJ-LBPRGKRZSA-N 0 0 289.398 4.567 10 0 CJAERN Cc1c([C@@H](C)Nc2cccc(F)c2C)cnn1C(C)(C)C ZINC000191470574 333220171 /nfs/dbraw/zinc/22/01/71/333220171.db2.gz MYPJYSNVYKOEFJ-GFCCVEGCSA-N 0 0 289.398 4.567 10 0 CJAERN C[C@H](NC(=O)c1ccoc1Cl)c1ccc2ccccc2c1 ZINC000192258377 333233739 /nfs/dbraw/zinc/23/37/39/333233739.db2.gz QMHMKKSXSRXVOL-NSHDSACASA-N 0 0 299.757 4.577 10 0 CJAERN C[C@@H](NC(=O)c1ccoc1Cl)c1ccc2ccccc2c1 ZINC000192258381 333233682 /nfs/dbraw/zinc/23/36/82/333233682.db2.gz QMHMKKSXSRXVOL-LLVKDONJSA-N 0 0 299.757 4.577 10 0 CJAERN Clc1ccsc1CN1CCCC[C@@H]1c1nccs1 ZINC000194369432 336018678 /nfs/dbraw/zinc/01/86/78/336018678.db2.gz CVAVMKPFCNAHEJ-LLVKDONJSA-N 0 0 298.864 4.585 10 0 CJAERN Clc1ccsc1CN1CCCC[C@H]1c1nccs1 ZINC000194369447 336018606 /nfs/dbraw/zinc/01/86/06/336018606.db2.gz CVAVMKPFCNAHEJ-NSHDSACASA-N 0 0 298.864 4.585 10 0 CJAERN Clc1csc(CN2CCCC[C@H]2c2nccs2)c1 ZINC000194369468 333270176 /nfs/dbraw/zinc/27/01/76/333270176.db2.gz YKVBCUPDJXILLI-LBPRGKRZSA-N 0 0 298.864 4.585 10 0 CJAERN Clc1csc(CN2CCCC[C@@H]2c2nccs2)c1 ZINC000194369480 333270222 /nfs/dbraw/zinc/27/02/22/333270222.db2.gz YKVBCUPDJXILLI-GFCCVEGCSA-N 0 0 298.864 4.585 10 0 CJAERN Clc1cccc(CN2CCCC[C@@H]2c2nccs2)c1 ZINC000195366407 336052584 /nfs/dbraw/zinc/05/25/84/336052584.db2.gz PDLOPKZLJBDISP-CQSZACIVSA-N 0 0 292.835 4.524 10 0 CJAERN Clc1cccc(CN2CCCC[C@H]2c2nccs2)c1 ZINC000195366414 336052682 /nfs/dbraw/zinc/05/26/82/336052682.db2.gz PDLOPKZLJBDISP-AWEZNQCLSA-N 0 0 292.835 4.524 10 0 CJAERN Clc1ccc(CN2CCCC[C@@H]2c2nccs2)s1 ZINC000195368001 333251456 /nfs/dbraw/zinc/25/14/56/333251456.db2.gz RABXRBGWSPMIRF-LLVKDONJSA-N 0 0 298.864 4.585 10 0 CJAERN Clc1ccc(CN2CCCC[C@H]2c2nccs2)s1 ZINC000195368007 333251631 /nfs/dbraw/zinc/25/16/31/333251631.db2.gz RABXRBGWSPMIRF-NSHDSACASA-N 0 0 298.864 4.585 10 0 CJAERN Clc1ccc(CN2CCCC[C@@H]2c2nccs2)cc1 ZINC000195369787 333251614 /nfs/dbraw/zinc/25/16/14/333251614.db2.gz DVFWLOITLCMEHN-CQSZACIVSA-N 0 0 292.835 4.524 10 0 CJAERN Clc1ccc(CN2CCCC[C@H]2c2nccs2)cc1 ZINC000195369791 333251452 /nfs/dbraw/zinc/25/14/52/333251452.db2.gz DVFWLOITLCMEHN-AWEZNQCLSA-N 0 0 292.835 4.524 10 0 CJAERN Clc1ccccc1CN1CCCC[C@@H]1c1nccs1 ZINC000195369831 333251656 /nfs/dbraw/zinc/25/16/56/333251656.db2.gz YUSZVHXDNKKJKY-CQSZACIVSA-N 0 0 292.835 4.524 10 0 CJAERN Clc1ccccc1CN1CCCC[C@H]1c1nccs1 ZINC000195369836 333251649 /nfs/dbraw/zinc/25/16/49/333251649.db2.gz YUSZVHXDNKKJKY-AWEZNQCLSA-N 0 0 292.835 4.524 10 0 CJAERN C[C@H]1CCc2nc(-c3ccccc3)c(-c3ccccc3)n21 ZINC000196320328 189682854 /nfs/dbraw/zinc/68/28/54/189682854.db2.gz ABLDIGFFMALHBO-AWEZNQCLSA-N 0 0 274.367 4.724 10 0 CJAERN Cc1[nH]c2ccccc2c1C(=O)C1(C)CCCCC1 ZINC000196508288 189682825 /nfs/dbraw/zinc/68/28/25/189682825.db2.gz HBRCPLWCXZKOIF-UHFFFAOYSA-N 0 0 255.361 4.629 10 0 CJAERN Cc1cc(-c2nc3ccccc3nc2C)ccc1Cl ZINC000196915923 189683178 /nfs/dbraw/zinc/68/31/78/189683178.db2.gz FUEMBMLOIRFKJP-UHFFFAOYSA-N 0 0 268.747 4.567 10 0 CJAERN CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(N)cnc21 ZINC000196984389 189682859 /nfs/dbraw/zinc/68/28/59/189682859.db2.gz UIZPXXJMWKJZRD-UHFFFAOYSA-N 0 0 289.499 4.642 10 0 CJAERN CCCCC(CCCC)C[Si](C)(C)c1ccccn1 ZINC000197991391 519916281 /nfs/dbraw/zinc/91/62/81/519916281.db2.gz BJOFTXJFMWFMHS-UHFFFAOYSA-N 0 0 277.528 4.994 10 0 CJAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000211746016 189688834 /nfs/dbraw/zinc/68/88/34/189688834.db2.gz ZDLUUPSRWIQZRH-OAHLLOKOSA-N 0 0 281.399 4.609 10 0 CJAERN O=C1c2ccccc2[C@@H](Cc2ccccc2)N1c1ccccc1 ZINC000211807819 189688405 /nfs/dbraw/zinc/68/84/05/189688405.db2.gz HZRLRFACCKGGGL-HXUWFJFHSA-N 0 0 299.373 4.631 10 0 CJAERN FC(F)c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000216652856 189705982 /nfs/dbraw/zinc/70/59/82/189705982.db2.gz UUGIRGXVFNWKPE-UHFFFAOYSA-N 0 0 268.690 4.857 10 0 CJAERN C[C@@H](NCc1ccc(F)cc1Cl)c1ccc(F)c(F)c1 ZINC000219347391 333147709 /nfs/dbraw/zinc/14/77/09/333147709.db2.gz HHBYLMZJFTXVTL-SECBINFHSA-N 0 0 299.723 4.608 10 0 CJAERN C[C@H](NCc1ccc(F)cc1Cl)c1ccc(F)c(F)c1 ZINC000219347471 333147619 /nfs/dbraw/zinc/14/76/19/333147619.db2.gz HHBYLMZJFTXVTL-VIFPVBQESA-N 0 0 299.723 4.608 10 0 CJAERN FC(F)(F)C(F)(F)c1cc(Cl)cc(Cl)c1 ZINC000220209656 570380748 /nfs/dbraw/zinc/38/07/48/570380748.db2.gz MEWSAEJDCOGIPP-UHFFFAOYSA-N 0 0 265.008 4.648 10 0 CJAERN C[C@H]([NH2+]C/C=C\c1ccccc1)c1cccc(Cl)c1 ZINC000220542729 333167289 /nfs/dbraw/zinc/16/72/89/333167289.db2.gz GZFQSYFAOVVMJJ-PIZKADEWSA-N 0 0 271.791 4.704 10 0 CJAERN C[C@@H]([NH2+]C/C=C\c1ccccc1)c1cccc(Cl)c1 ZINC000220542792 333167216 /nfs/dbraw/zinc/16/72/16/333167216.db2.gz GZFQSYFAOVVMJJ-DEBLGDTFSA-N 0 0 271.791 4.704 10 0 CJAERN C[C@H]([NH2+]C/C=C\c1ccccc1)c1ccccc1Cl ZINC000220544899 333167165 /nfs/dbraw/zinc/16/71/65/333167165.db2.gz ROYBRGBZOASQRH-YHAOYDPOSA-N 0 0 271.791 4.704 10 0 CJAERN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000220887396 260140625 /nfs/dbraw/zinc/14/06/25/260140625.db2.gz ZLEIOXKEFUWEMP-VHSXEESVSA-N 0 0 299.201 4.702 10 0 CJAERN Cc1cnc([C@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000220887450 333170238 /nfs/dbraw/zinc/17/02/38/333170238.db2.gz ZLEIOXKEFUWEMP-UWVGGRQHSA-N 0 0 299.201 4.702 10 0 CJAERN Cc1cnc([C@@H](C)N[C@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000220887511 333170169 /nfs/dbraw/zinc/17/01/69/333170169.db2.gz ZLEIOXKEFUWEMP-NXEZZACHSA-N 0 0 299.201 4.702 10 0 CJAERN Cc1cnc([C@H](C)N[C@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000220887581 333170356 /nfs/dbraw/zinc/17/03/56/333170356.db2.gz ZLEIOXKEFUWEMP-ZJUUUORDSA-N 0 0 299.201 4.702 10 0 CJAERN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(C(C)C)cc2)o1 ZINC000220887909 260140681 /nfs/dbraw/zinc/14/06/81/260140681.db2.gz AXIWLNFOFDCBFA-UONOGXRCSA-N 0 0 272.392 4.518 10 0 CJAERN Cc1cnc([C@H](C)N[C@@H](C)c2ccc(C(C)C)cc2)o1 ZINC000220887971 260140605 /nfs/dbraw/zinc/14/06/05/260140605.db2.gz AXIWLNFOFDCBFA-KBPBESRZSA-N 0 0 272.392 4.518 10 0 CJAERN Cc1cnc([C@@H](C)N[C@H](C)c2ccc(C(C)C)cc2)o1 ZINC000220888029 260140579 /nfs/dbraw/zinc/14/05/79/260140579.db2.gz AXIWLNFOFDCBFA-ZIAGYGMSSA-N 0 0 272.392 4.518 10 0 CJAERN Cc1cnc([C@H](C)N[C@H](C)c2ccc(C(C)C)cc2)o1 ZINC000220888095 260140522 /nfs/dbraw/zinc/14/05/22/260140522.db2.gz AXIWLNFOFDCBFA-KGLIPLIRSA-N 0 0 272.392 4.518 10 0 CJAERN Brc1cccc2c1CC[C@@H]2Nc1ccccc1 ZINC000223152793 260277116 /nfs/dbraw/zinc/27/71/16/260277116.db2.gz UHXGKWLEEZQJOF-HNNXBMFYSA-N 0 0 288.188 4.549 10 0 CJAERN Brc1cccc2c1CC[C@H]2Nc1ccccc1 ZINC000223152852 260276733 /nfs/dbraw/zinc/27/67/33/260276733.db2.gz UHXGKWLEEZQJOF-OAHLLOKOSA-N 0 0 288.188 4.549 10 0 CJAERN C[C@@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)c1cccc(O)c1 ZINC000223214596 333205422 /nfs/dbraw/zinc/20/54/22/333205422.db2.gz ALGQLJQJPYRXQV-PJIJBLCYSA-N 0 0 281.399 4.681 10 0 CJAERN C[C@@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)c1cccc(O)c1 ZINC000223214650 333205391 /nfs/dbraw/zinc/20/53/91/333205391.db2.gz ALGQLJQJPYRXQV-LPMFXHHGSA-N 0 0 281.399 4.681 10 0 CJAERN CCn1nc(C)c([C@@H](C)Nc2cc(C)ccc2Cl)c1C ZINC000226061649 333247186 /nfs/dbraw/zinc/24/71/86/333247186.db2.gz JOACDSVENURMMZ-LLVKDONJSA-N 0 0 291.826 4.655 10 0 CJAERN CCn1nc(C)c([C@H](C)Nc2cc(C)ccc2Cl)c1C ZINC000226061663 333247187 /nfs/dbraw/zinc/24/71/87/333247187.db2.gz JOACDSVENURMMZ-NSHDSACASA-N 0 0 291.826 4.655 10 0 CJAERN Cc1cc(-n2cccc2)cc2nc(-c3ccccc3)oc21 ZINC000226246359 189770539 /nfs/dbraw/zinc/77/05/39/189770539.db2.gz DDWSFQSZOICNNS-UHFFFAOYSA-N 0 0 274.323 4.594 10 0 CJAERN Cc1cc(-n2cccc2)cc2nc(-c3ccccc3C)oc21 ZINC000226246372 189770818 /nfs/dbraw/zinc/77/08/18/189770818.db2.gz GNAUNYDNVPSVOW-UHFFFAOYSA-N 0 0 288.350 4.902 10 0 CJAERN Cc1ccccc1-c1nc2cc(-n3cccc3)ccc2o1 ZINC000226246384 567039318 /nfs/dbraw/zinc/03/93/18/567039318.db2.gz NDIAAFSHYZAPMA-UHFFFAOYSA-N 0 0 274.323 4.594 10 0 CJAERN Cc1cccc(-c2nc3cc(-n4cccc4)ccc3o2)c1 ZINC000226246397 189770851 /nfs/dbraw/zinc/77/08/51/189770851.db2.gz JUCMBCUGISSOBV-UHFFFAOYSA-N 0 0 274.323 4.594 10 0 CJAERN Cc1cccc(-c2nc3cc(-n4cccc4)cc(C)c3o2)c1 ZINC000226246413 189770813 /nfs/dbraw/zinc/77/08/13/189770813.db2.gz BPYLDJKQCVXEAU-UHFFFAOYSA-N 0 0 288.350 4.902 10 0 CJAERN Cc1ccc(-c2nc3cc(-n4cccc4)cc(C)c3o2)cc1 ZINC000226246424 567038172 /nfs/dbraw/zinc/03/81/72/567038172.db2.gz ODZOPLHHKOAQRF-UHFFFAOYSA-N 0 0 288.350 4.902 10 0 CJAERN Cc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1 ZINC000226246438 567038483 /nfs/dbraw/zinc/03/84/83/567038483.db2.gz ZJTHXWLYHDEWBW-UHFFFAOYSA-N 0 0 274.323 4.594 10 0 CJAERN CCc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1 ZINC000226246449 567038180 /nfs/dbraw/zinc/03/81/80/567038180.db2.gz PEMTXLNQSDUHMH-UHFFFAOYSA-N 0 0 288.350 4.848 10 0 CJAERN Cc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1C ZINC000226246554 567038713 /nfs/dbraw/zinc/03/87/13/567038713.db2.gz ZODSJZCEZGWAQK-UHFFFAOYSA-N 0 0 288.350 4.902 10 0 CJAERN Cc1cc(-n2cccc2)cc2nc(Cc3ccccc3)oc21 ZINC000226246578 189770418 /nfs/dbraw/zinc/77/04/18/189770418.db2.gz MWQUJOLGYVLFBM-UHFFFAOYSA-N 0 0 288.350 4.518 10 0 CJAERN Cc1cc(C)cc(-c2nc3cc(-n4cccc4)ccc3o2)c1 ZINC000226246685 567038086 /nfs/dbraw/zinc/03/80/86/567038086.db2.gz ZLGZLVVLOGUTJN-UHFFFAOYSA-N 0 0 288.350 4.902 10 0 CJAERN Cc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)c(C)c1 ZINC000226246726 567039359 /nfs/dbraw/zinc/03/93/59/567039359.db2.gz GADKCQWVNHFHHY-UHFFFAOYSA-N 0 0 288.350 4.902 10 0 CJAERN Cc1cc(-n2cccc2)cc2nc(-c3ccccc3F)oc21 ZINC000226247050 567039283 /nfs/dbraw/zinc/03/92/83/567039283.db2.gz BEORBQOCIRTSCJ-UHFFFAOYSA-N 0 0 292.313 4.733 10 0 CJAERN Clc1ccccc1-c1nc2cc(-n3cccc3)ccc2o1 ZINC000226247075 567039372 /nfs/dbraw/zinc/03/93/72/567039372.db2.gz OGJYXOFMIPSFKJ-UHFFFAOYSA-N 0 0 294.741 4.939 10 0 CJAERN Clc1cccc(-c2nc3cc(-n4cccc4)ccc3o2)c1 ZINC000226247149 567039450 /nfs/dbraw/zinc/03/94/50/567039450.db2.gz LQQWLIMCLVVTOC-UHFFFAOYSA-N 0 0 294.741 4.939 10 0 CJAERN Cc1cc(-n2cccc2)cc2nc(-c3cccc(F)c3)oc21 ZINC000226247169 567038343 /nfs/dbraw/zinc/03/83/43/567038343.db2.gz WOEMSCQSAGLZDC-UHFFFAOYSA-N 0 0 292.313 4.733 10 0 CJAERN Clc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1 ZINC000226247614 567038534 /nfs/dbraw/zinc/03/85/34/567038534.db2.gz GVWYFEXCRARDAI-UHFFFAOYSA-N 0 0 294.741 4.939 10 0 CJAERN Cc1cc(-n2cccc2)cc2nc(-c3ccc(F)cc3)oc21 ZINC000226247641 189770636 /nfs/dbraw/zinc/77/06/36/189770636.db2.gz FIQABRBLEBGPCQ-UHFFFAOYSA-N 0 0 292.313 4.733 10 0 CJAERN Cc1cc(N)cc2nc(/C=C/c3ccc(Cl)cc3)oc21 ZINC000226249908 189770530 /nfs/dbraw/zinc/77/05/30/189770530.db2.gz OSBFNAVMNYLEQZ-QPJJXVBHSA-N 0 0 284.746 4.542 10 0 CJAERN CNc1ccc2nc(-c3ccc(C(C)(C)C)cc3)oc2c1 ZINC000226269995 567038655 /nfs/dbraw/zinc/03/86/55/567038655.db2.gz OYHJDWQXRCJVJB-UHFFFAOYSA-N 0 0 280.371 4.834 10 0 CJAERN CNc1ccc2nc(-c3ccc(C(C)C)cc3)oc2c1 ZINC000226270007 567038705 /nfs/dbraw/zinc/03/87/05/567038705.db2.gz BDDVHBWWSNQVOX-UHFFFAOYSA-N 0 0 266.344 4.660 10 0 CJAERN CNc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 ZINC000226270124 567038960 /nfs/dbraw/zinc/03/89/60/567038960.db2.gz NOMFKUNULCUUMI-UHFFFAOYSA-N 0 0 280.371 4.834 10 0 CJAERN CNc1cc2nc(-c3ccc(C(C)C)cc3)oc2c(C)c1 ZINC000226270143 567038389 /nfs/dbraw/zinc/03/83/89/567038389.db2.gz RNVOYNDNFLXOJK-UHFFFAOYSA-N 0 0 280.371 4.968 10 0 CJAERN CNc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 ZINC000226270153 189771043 /nfs/dbraw/zinc/77/10/43/189771043.db2.gz WDWRJCDNVPCZGI-UHFFFAOYSA-N 0 0 266.344 4.660 10 0 CJAERN CNc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000226271491 567039274 /nfs/dbraw/zinc/03/92/74/567039274.db2.gz XLYRTBNCPQJWST-UHFFFAOYSA-N 0 0 293.153 4.843 10 0 CJAERN CNc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000226271505 567039099 /nfs/dbraw/zinc/03/90/99/567039099.db2.gz VRAZYBVALFEYEG-UHFFFAOYSA-N 0 0 293.153 4.843 10 0 CJAERN CNc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000226271540 567039221 /nfs/dbraw/zinc/03/92/21/567039221.db2.gz JZSFCEDORWLFCT-UHFFFAOYSA-N 0 0 293.153 4.843 10 0 CJAERN CNc1cc2nc(-c3ccc(C)c(Cl)c3)oc2c(C)c1 ZINC000226271560 567039235 /nfs/dbraw/zinc/03/92/35/567039235.db2.gz NZWIVJGYIIYJHQ-UHFFFAOYSA-N 0 0 286.762 4.807 10 0 CJAERN CNc1cc2nc(-c3ccc(C)cc3Cl)oc2c(C)c1 ZINC000226271571 189771071 /nfs/dbraw/zinc/77/10/71/189771071.db2.gz ZGAYVACXJCHRQM-UHFFFAOYSA-N 0 0 286.762 4.807 10 0 CJAERN CNc1ccc2nc(-c3ccc(Cl)cc3Cl)oc2c1 ZINC000226271683 567038510 /nfs/dbraw/zinc/03/85/10/567038510.db2.gz SJCASFVPBBPLMR-UHFFFAOYSA-N 0 0 293.153 4.843 10 0 CJAERN CNc1ccc2nc(-c3cc(Cl)ccc3Cl)oc2c1 ZINC000226271694 189770929 /nfs/dbraw/zinc/77/09/29/189770929.db2.gz KARVXFNLOUTRAL-UHFFFAOYSA-N 0 0 293.153 4.843 10 0 CJAERN CNc1ccc2nc(-c3ccc(Cl)c(Cl)c3)oc2c1 ZINC000226271703 567039293 /nfs/dbraw/zinc/03/92/93/567039293.db2.gz FWQCJHPCDVJFAE-UHFFFAOYSA-N 0 0 293.153 4.843 10 0 CJAERN C[C@@H]1CCCCN1c1ccc(-n2cccc2)cc1Cl ZINC000226275860 136478931 /nfs/dbraw/zinc/47/89/31/136478931.db2.gz WPPLEVAQSKMGBD-CYBMUJFWSA-N 0 0 274.795 4.510 10 0 CJAERN C[C@H]1CCCCN1c1ccc(-n2cccc2)cc1Cl ZINC000226275867 567041093 /nfs/dbraw/zinc/04/10/93/567041093.db2.gz WPPLEVAQSKMGBD-ZDUSSCGKSA-N 0 0 274.795 4.510 10 0 CJAERN c1ccn(-c2cccc(-c3nc4ccccc4s3)c2)c1 ZINC000226280922 567040901 /nfs/dbraw/zinc/04/09/01/567040901.db2.gz BXDMWOKVAUNVEA-UHFFFAOYSA-N 0 0 276.364 4.754 10 0 CJAERN CNc1cccc(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000226281003 566984063 /nfs/dbraw/zinc/98/40/63/566984063.db2.gz CTSRAAYDBAPKNR-UHFFFAOYSA-N 0 0 266.344 4.660 10 0 CJAERN CCc1ccc2oc(-c3cccc(-n4cccc4)c3)nc2c1 ZINC000226281019 567040371 /nfs/dbraw/zinc/04/03/71/567040371.db2.gz XEBMIUVZVUNYOL-UHFFFAOYSA-N 0 0 288.350 4.848 10 0 CJAERN Cc1ccc2oc(-c3cccc(-n4cccc4)c3)nc2c1 ZINC000226281027 567041018 /nfs/dbraw/zinc/04/10/18/567041018.db2.gz YTVIGKLWGITYDH-UHFFFAOYSA-N 0 0 274.323 4.594 10 0 CJAERN CNc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 ZINC000226281107 189770922 /nfs/dbraw/zinc/77/09/22/189770922.db2.gz SOTMBUDXGWRABT-UHFFFAOYSA-N 0 0 266.344 4.660 10 0 CJAERN Clc1ccc2oc(-c3cccc(-n4cccc4)c3)nc2c1 ZINC000226281182 567041382 /nfs/dbraw/zinc/04/13/82/567041382.db2.gz KPZJMEAYPZRMJN-UHFFFAOYSA-N 0 0 294.741 4.939 10 0 CJAERN c1ccc(-c2ccc(-c3nc4cnccc4o3)cc2)cc1 ZINC000226281379 567040786 /nfs/dbraw/zinc/04/07/86/567040786.db2.gz IANZJBIVFOJOMQ-UHFFFAOYSA-N 0 0 272.307 4.557 10 0 CJAERN Clc1cccc2c(-c3nc4cnccc4o3)cccc12 ZINC000226281542 567041310 /nfs/dbraw/zinc/04/13/10/567041310.db2.gz ITGRJTUQMSKVIS-UHFFFAOYSA-N 0 0 280.714 4.696 10 0 CJAERN CCNc1cc2nc(-c3ccccc3C)oc2c(C)c1 ZINC000226282314 567041232 /nfs/dbraw/zinc/04/12/32/567041232.db2.gz JTENJWFEGNEBMT-UHFFFAOYSA-N 0 0 266.344 4.543 10 0 CJAERN CCNc1cc2nc(-c3cccc(C)c3)oc2c(C)c1 ZINC000226282334 189771204 /nfs/dbraw/zinc/77/12/04/189771204.db2.gz GOUSEUICDBWWLQ-UHFFFAOYSA-N 0 0 266.344 4.543 10 0 CJAERN CCNc1cc2nc(-c3ccc(C)cc3)oc2c(C)c1 ZINC000226282369 567041051 /nfs/dbraw/zinc/04/10/51/567041051.db2.gz QAJQAHOKWVZBPN-UHFFFAOYSA-N 0 0 266.344 4.543 10 0 CJAERN CCNc1cc2nc(-c3ccc(CC)cc3)oc2c(C)c1 ZINC000226282419 567040289 /nfs/dbraw/zinc/04/02/89/567040289.db2.gz BRAXRDUNGHLZMM-UHFFFAOYSA-N 0 0 280.371 4.797 10 0 CJAERN CCNc1ccc2oc(-c3ccc(C)c(Cl)c3)nc2c1 ZINC000226282995 566985291 /nfs/dbraw/zinc/98/52/91/566985291.db2.gz LFSGGBGCTBQWAW-UHFFFAOYSA-N 0 0 286.762 4.888 10 0 CJAERN CCNc1cc2nc(-c3ccccc3Cl)oc2c(C)c1 ZINC000226283072 189771501 /nfs/dbraw/zinc/77/15/01/189771501.db2.gz DIAFIKANYIYZMR-UHFFFAOYSA-N 0 0 286.762 4.888 10 0 CJAERN CCNc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000226283084 567041555 /nfs/dbraw/zinc/04/15/55/567041555.db2.gz WLEYLEKXXZQLOB-UHFFFAOYSA-N 0 0 272.735 4.580 10 0 CJAERN CCNc1cc2nc(-c3cccc(Cl)c3)oc2c(C)c1 ZINC000226283483 189771545 /nfs/dbraw/zinc/77/15/45/189771545.db2.gz XOCNBEQRXCOBCO-UHFFFAOYSA-N 0 0 286.762 4.888 10 0 CJAERN CCNc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000226283492 567041530 /nfs/dbraw/zinc/04/15/30/567041530.db2.gz XKSDCWKXDLQLDS-UHFFFAOYSA-N 0 0 272.735 4.580 10 0 CJAERN CCNc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000226283534 567041622 /nfs/dbraw/zinc/04/16/22/567041622.db2.gz RRFAEDKSRVKNOG-UHFFFAOYSA-N 0 0 272.735 4.580 10 0 CJAERN CCNc1cc2nc(-c3ccc(Cl)cc3)oc2c(C)c1 ZINC000226283542 189771349 /nfs/dbraw/zinc/77/13/49/189771349.db2.gz WGOXPGMYKIWHEH-UHFFFAOYSA-N 0 0 286.762 4.888 10 0 CJAERN CCNc1ccc2nc(-c3ccccc3Cl)oc2c1 ZINC000226284233 189771408 /nfs/dbraw/zinc/77/14/08/189771408.db2.gz CFZPSFMPYFMMLH-UHFFFAOYSA-N 0 0 272.735 4.580 10 0 CJAERN CCNc1ccc2nc(-c3cccc(Cl)c3)oc2c1 ZINC000226284266 567041613 /nfs/dbraw/zinc/04/16/13/567041613.db2.gz VVVGWKHYRYEAFG-UHFFFAOYSA-N 0 0 272.735 4.580 10 0 CJAERN CCNc1ccc2nc(-c3ccc(Cl)cc3)oc2c1 ZINC000226284299 567041336 /nfs/dbraw/zinc/04/13/36/567041336.db2.gz VLDFNXKENWBNTD-UHFFFAOYSA-N 0 0 272.735 4.580 10 0 CJAERN CCNc1ccc2nc(-c3ccc(C)c(Cl)c3)oc2c1 ZINC000226284321 567040761 /nfs/dbraw/zinc/04/07/61/567040761.db2.gz ANWWZDXLHBTSMM-UHFFFAOYSA-N 0 0 286.762 4.888 10 0 CJAERN CCNc1cccc(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000226284447 189771330 /nfs/dbraw/zinc/77/13/30/189771330.db2.gz VRWOUBNSOYIPLG-UHFFFAOYSA-N 0 0 266.344 4.543 10 0 CJAERN CCNc1cccc(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000226284458 567041137 /nfs/dbraw/zinc/04/11/37/567041137.db2.gz XPHIIFJLTBRKBF-UHFFFAOYSA-N 0 0 266.344 4.543 10 0 CJAERN CCNc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000226284468 567040721 /nfs/dbraw/zinc/04/07/21/567040721.db2.gz VAKCCEHQTZFOJP-UHFFFAOYSA-N 0 0 272.735 4.580 10 0 CJAERN CCNc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 ZINC000226284597 567040270 /nfs/dbraw/zinc/04/02/70/567040270.db2.gz AUIOVUFRNSIOLR-UHFFFAOYSA-N 0 0 266.344 4.543 10 0 CJAERN CCNc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 ZINC000226284608 567041353 /nfs/dbraw/zinc/04/13/53/567041353.db2.gz IMQNNDOBALZIJD-UHFFFAOYSA-N 0 0 266.344 4.543 10 0 CJAERN CCNc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000226284616 567040351 /nfs/dbraw/zinc/04/03/51/567040351.db2.gz PHBFEIWPPPALSO-UHFFFAOYSA-N 0 0 272.735 4.580 10 0 CJAERN CCNc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000226285339 189771414 /nfs/dbraw/zinc/77/14/14/189771414.db2.gz ZNKQHCALUZNOKT-UHFFFAOYSA-N 0 0 296.414 4.668 10 0 CJAERN Oc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000226291025 189771549 /nfs/dbraw/zinc/77/15/49/189771549.db2.gz LYSSSMZKGSXJRI-UHFFFAOYSA-N 0 0 287.318 4.867 10 0 CJAERN Oc1cccc(-c2nc3cc(-c4ccccc4)ccc3o2)c1 ZINC000226291043 189771503 /nfs/dbraw/zinc/77/15/03/189771503.db2.gz JXHSFHNHQXAHRA-UHFFFAOYSA-N 0 0 287.318 4.867 10 0 CJAERN c1ccc2oc(-c3ccc4c5c(cccc53)CC4)nc2c1 ZINC000226295929 189771692 /nfs/dbraw/zinc/77/16/92/189771692.db2.gz AXLZSNRIOUONNP-UHFFFAOYSA-N 0 0 271.319 4.747 10 0 CJAERN Cc1cccc([C@@H](O)c2ccc3c(c2)oc2ccccc23)c1 ZINC000226296277 189771759 /nfs/dbraw/zinc/77/17/59/189771759.db2.gz JFXPHVDZDWPWQE-HXUWFJFHSA-N 0 0 288.346 4.976 10 0 CJAERN Cc1cccc([C@H](O)c2ccc3c(c2)oc2ccccc23)c1 ZINC000226296285 189771638 /nfs/dbraw/zinc/77/16/38/189771638.db2.gz JFXPHVDZDWPWQE-FQEVSTJZSA-N 0 0 288.346 4.976 10 0 CJAERN Cc1ccc([C@@H](O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000226296328 189772011 /nfs/dbraw/zinc/77/20/11/189772011.db2.gz RMKIOPKZMRLFMP-OAQYLSRUSA-N 0 0 286.374 4.648 10 0 CJAERN O[C@@H](c1ccc2c(c1)oc1ccccc12)c1ccccc1F ZINC000226296515 189771769 /nfs/dbraw/zinc/77/17/69/189771769.db2.gz RUXWYYXYVYAKOI-IBGZPJMESA-N 0 0 292.309 4.807 10 0 CJAERN O[C@H](c1ccc(F)cc1)c1ccc2c(c1)oc1ccccc12 ZINC000226296746 189771634 /nfs/dbraw/zinc/77/16/34/189771634.db2.gz QYJBXHQOKOXCQI-LJQANCHMSA-N 0 0 292.309 4.807 10 0 CJAERN Cc1cc2nc(C34CC5CC(CC(C5)C3)C4)oc2cc1C ZINC000226302286 189772043 /nfs/dbraw/zinc/77/20/43/189772043.db2.gz BZFIEKRSXISNBD-UHFFFAOYSA-N 0 0 281.399 4.912 10 0 CJAERN CCc1cc(N)cc(Cl)c1N(CC)c1ccccc1 ZINC000226316137 189772635 /nfs/dbraw/zinc/77/26/35/189772635.db2.gz LINWKIMEDBMKEI-UHFFFAOYSA-N 0 0 274.795 4.643 10 0 CJAERN Cc1ccccc1N[C@@H](C)c1cc(Br)cs1 ZINC000226398433 333259838 /nfs/dbraw/zinc/25/98/38/333259838.db2.gz DYSLDMXDIRVUDY-JTQLQIEISA-N 0 0 296.233 4.992 10 0 CJAERN Cc1ccccc1N[C@H](C)c1cc(Br)cs1 ZINC000226398441 333259756 /nfs/dbraw/zinc/25/97/56/333259756.db2.gz DYSLDMXDIRVUDY-SNVBAGLBSA-N 0 0 296.233 4.992 10 0 CJAERN C[C@H](Nc1nccc2occc21)c1cccc(Cl)c1 ZINC000227531906 333285301 /nfs/dbraw/zinc/28/53/01/333285301.db2.gz BHRJAVRPIBMFIE-JTQLQIEISA-N 0 0 272.735 4.654 10 0 CJAERN CCc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2Cl)cc1 ZINC000227659665 333287235 /nfs/dbraw/zinc/28/72/35/333287235.db2.gz JYYDTLYYAPGQIB-LBPRGKRZSA-N 0 0 291.797 4.892 10 0 CJAERN CCc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2Cl)cc1 ZINC000227659671 333287134 /nfs/dbraw/zinc/28/71/34/333287134.db2.gz JYYDTLYYAPGQIB-GFCCVEGCSA-N 0 0 291.797 4.892 10 0 CJAERN Clc1nc(-c2cccc(Cl)c2Cl)cs1 ZINC000228896520 566843680 /nfs/dbraw/zinc/84/36/80/566843680.db2.gz NMGTZAHKEBFTTQ-UHFFFAOYSA-N 0 0 264.564 4.770 10 0 CJAERN C[C@@H](Nc1nccc2occc21)c1ccc(Cl)cc1 ZINC000229943200 333311828 /nfs/dbraw/zinc/31/18/28/333311828.db2.gz PIFBWLGPQJQZKV-SNVBAGLBSA-N 0 0 272.735 4.654 10 0 CJAERN C[C@H](Nc1nccc2occc21)c1ccc(Cl)cc1 ZINC000229943206 333311892 /nfs/dbraw/zinc/31/18/92/333311892.db2.gz PIFBWLGPQJQZKV-JTQLQIEISA-N 0 0 272.735 4.654 10 0 CJAERN Cc1ccccc1N[C@@H](C)c1csc(Cl)c1 ZINC000230411237 260185041 /nfs/dbraw/zinc/18/50/41/260185041.db2.gz WOMGUDWOHDAVKP-JTQLQIEISA-N 0 0 251.782 4.883 10 0 CJAERN Cc1ccccc1N[C@H](C)c1csc(Cl)c1 ZINC000230411239 333318400 /nfs/dbraw/zinc/31/84/00/333318400.db2.gz WOMGUDWOHDAVKP-SNVBAGLBSA-N 0 0 251.782 4.883 10 0 CJAERN COc1ccc(F)c(N[C@@H](C)c2csc(Cl)c2)c1 ZINC000230412152 333318556 /nfs/dbraw/zinc/31/85/56/333318556.db2.gz DTTDTMXLGHZMTN-QMMMGPOBSA-N 0 0 285.771 4.722 10 0 CJAERN COc1ccc(F)c(N[C@H](C)c2csc(Cl)c2)c1 ZINC000230412156 333318595 /nfs/dbraw/zinc/31/85/95/333318595.db2.gz DTTDTMXLGHZMTN-MRVPVSSYSA-N 0 0 285.771 4.722 10 0 CJAERN Cc1cnc([C@@H](C)N[C@@H](C)c2cc3ccccc3s2)o1 ZINC000230638778 333319167 /nfs/dbraw/zinc/31/91/67/333319167.db2.gz JSZOFDLVNHSVTD-NWDGAFQWSA-N 0 0 286.400 4.610 10 0 CJAERN Cc1cnc([C@H](C)N[C@@H](C)c2cc3ccccc3s2)o1 ZINC000230638782 333319196 /nfs/dbraw/zinc/31/91/96/333319196.db2.gz JSZOFDLVNHSVTD-RYUDHWBXSA-N 0 0 286.400 4.610 10 0 CJAERN Cc1cnc([C@@H](C)N[C@H](C)c2cc3ccccc3s2)o1 ZINC000230638787 333319331 /nfs/dbraw/zinc/31/93/31/333319331.db2.gz JSZOFDLVNHSVTD-VXGBXAGGSA-N 0 0 286.400 4.610 10 0 CJAERN Cc1cnc([C@H](C)N[C@H](C)c2cc3ccccc3s2)o1 ZINC000230638791 333319369 /nfs/dbraw/zinc/31/93/69/333319369.db2.gz JSZOFDLVNHSVTD-NEPJUHHUSA-N 0 0 286.400 4.610 10 0 CJAERN CCc1ccc([C@@H](C)Nc2nccc3occc32)cc1 ZINC000230887143 333322234 /nfs/dbraw/zinc/32/22/34/333322234.db2.gz JFGCYBYUCBAJGB-GFCCVEGCSA-N 0 0 266.344 4.563 10 0 CJAERN CCc1ccc([C@H](C)Nc2nccc3occc32)cc1 ZINC000230887151 333322261 /nfs/dbraw/zinc/32/22/61/333322261.db2.gz JFGCYBYUCBAJGB-LBPRGKRZSA-N 0 0 266.344 4.563 10 0 CJAERN Cc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1Cl ZINC000235224678 333366898 /nfs/dbraw/zinc/36/68/98/333366898.db2.gz LDLJKELEIOJJEO-LLVKDONJSA-N 0 0 295.760 4.777 10 0 CJAERN CCC1(c2ccc3c(c2)Nc2ccccc2S3)OCCO1 ZINC000242495360 566826525 /nfs/dbraw/zinc/82/65/25/566826525.db2.gz GCUUOUKBBYIROK-UHFFFAOYSA-N 0 0 299.395 4.504 10 0 CJAERN C[C@@H](NC(=O)CC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000248379860 334299556 /nfs/dbraw/zinc/29/95/56/334299556.db2.gz OEEUPAQRISNYKL-SECBINFHSA-N 0 0 288.218 4.607 10 0 CJAERN C[C@H](NC(=O)CC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000248379861 334299565 /nfs/dbraw/zinc/29/95/65/334299565.db2.gz OEEUPAQRISNYKL-VIFPVBQESA-N 0 0 288.218 4.607 10 0 CJAERN CC(C)c1ccc2c(c1)CC[C@H]1[C@@]2(C)CCC[C@]1(C)O ZINC000253495845 570270974 /nfs/dbraw/zinc/27/09/74/570270974.db2.gz SOJWLJKPIIODOH-FHWLQOOXSA-N 0 0 272.432 4.565 10 0 CJAERN C[C@]12C=CC[C@@H]1[C@H]1CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@@H]1CC2 ZINC000253595906 333185693 /nfs/dbraw/zinc/18/56/93/333185693.db2.gz KRVXMNNRSSQZJP-KZGZMPLZSA-N 0 0 274.448 4.556 10 0 CJAERN C[C@]12C=CC[C@@H]1[C@H]1CC[C@H]3C[C@H](O)CC[C@]3(C)[C@@H]1CC2 ZINC000253595907 333185776 /nfs/dbraw/zinc/18/57/76/333185776.db2.gz KRVXMNNRSSQZJP-RBSDREOVSA-N 0 0 274.448 4.556 10 0 CJAERN CC[C@H](C)[C@H](C(=O)N[C@H](C)c1ccc(C)o1)c1ccccc1 ZINC000255532817 326990676 /nfs/dbraw/zinc/99/06/76/326990676.db2.gz XWHMYCBGTVJSAN-JOQOYGCGSA-N 0 0 299.414 4.595 10 0 CJAERN CC(C)(C)OC(=O)Nc1cccc(C=Cc2ccccc2)n1 ZINC000255993032 190000075 /nfs/dbraw/zinc/00/00/75/190000075.db2.gz OSOJOLFLVCKLEJ-OUKQBFOZSA-N 0 0 296.370 4.599 10 0 CJAERN CC(C)(C)OC(=O)Nc1cccc(C=Cc2ccccc2)n1 ZINC000255993033 190000093 /nfs/dbraw/zinc/00/00/93/190000093.db2.gz OSOJOLFLVCKLEJ-SEYXRHQNSA-N 0 0 296.370 4.599 10 0 CJAERN C[C@@H]1C(=O)C[C@H](c2ccccc2)N(Cl)[C@H]1c1ccccc1 ZINC000256005949 190001185 /nfs/dbraw/zinc/00/11/85/190001185.db2.gz VBNVXFOJQLSOSO-MZMPZRCHSA-N 0 0 299.801 4.534 10 0 CJAERN C[C@@H]1C(=O)C[C@H](c2ccccc2)N(Cl)[C@@H]1c1ccccc1 ZINC000256005950 190000991 /nfs/dbraw/zinc/00/09/91/190000991.db2.gz VBNVXFOJQLSOSO-QBIMZIAESA-N 0 0 299.801 4.534 10 0 CJAERN O=c1cccc2[nH]cc(C=Cc3ccc(Cl)cc3)cc1-2 ZINC000256013936 190002580 /nfs/dbraw/zinc/00/25/80/190002580.db2.gz YPLSTMYJHRPNOR-SNAWJCMRSA-N 0 0 281.742 4.764 10 0 CJAERN CC(C)(C)c1ccc2ccc(Br)cc2c1O ZINC000261507471 190039958 /nfs/dbraw/zinc/03/99/58/190039958.db2.gz IXWOIPRSINXPIZ-UHFFFAOYSA-N 0 0 279.177 4.605 10 0 CJAERN COc1c2cc(Br)ccc2ccc1C(C)(C)C ZINC000261507640 190040348 /nfs/dbraw/zinc/04/03/48/190040348.db2.gz KQARMQTZFIPJCH-UHFFFAOYSA-N 0 0 293.204 4.908 10 0 CJAERN BrC1=CCC2=CCc3cccc4ccc1c2c43 ZINC000261508640 190040425 /nfs/dbraw/zinc/04/04/25/190040425.db2.gz VLFYFQYOFHJTKI-UHFFFAOYSA-N 0 0 283.168 4.919 10 0 CJAERN CCCCC[N@H+](Cc1cccc(C(=O)[O-])c1)[C@@H](C)CCC ZINC000263374740 330053066 /nfs/dbraw/zinc/05/30/66/330053066.db2.gz BPRHXQQPFRRKLJ-HNNXBMFYSA-N 0 0 291.435 4.566 10 0 CJAERN CCCCC[N@H+](Cc1cccc(C(=O)[O-])c1)[C@H](C)CCC ZINC000263374744 330053118 /nfs/dbraw/zinc/05/31/18/330053118.db2.gz BPRHXQQPFRRKLJ-OAHLLOKOSA-N 0 0 291.435 4.566 10 0 CJAERN C[C@@H](Nc1ccc(C2CCC2)cc1)c1cncs1 ZINC000279578327 525702965 /nfs/dbraw/zinc/70/29/65/525702965.db2.gz UEZNHLNRYYLOPR-LLVKDONJSA-N 0 0 258.390 4.584 10 0 CJAERN C[C@H](Nc1ccc(C2CCC2)cc1)c1cncs1 ZINC000279578331 525648935 /nfs/dbraw/zinc/64/89/35/525648935.db2.gz UEZNHLNRYYLOPR-NSHDSACASA-N 0 0 258.390 4.584 10 0 CJAERN CC(C)(C)OC(=O)Nc1cnc(C2CCCCC2)s1 ZINC000299889536 518844465 /nfs/dbraw/zinc/84/44/65/518844465.db2.gz KTASNYQDGOXAOE-UHFFFAOYSA-N 0 0 282.409 4.538 10 0 CJAERN Cc1cc(Cl)cc2c1N(C(=O)OC(C)(C)C)[C@H](C)CC2 ZINC000299889654 524877573 /nfs/dbraw/zinc/87/75/73/524877573.db2.gz MMRCNRSVGYYAEQ-LLVKDONJSA-N 0 0 295.810 4.725 10 0 CJAERN Cc1cc(Cl)cc2c1N(C(=O)OC(C)(C)C)[C@@H](C)CC2 ZINC000299889655 524877937 /nfs/dbraw/zinc/87/79/37/524877937.db2.gz MMRCNRSVGYYAEQ-NSHDSACASA-N 0 0 295.810 4.725 10 0 CJAERN C[C@H](Nc1ccccn1)c1cc2cc(Cl)ccc2o1 ZINC000301288363 227501142 /nfs/dbraw/zinc/50/11/42/227501142.db2.gz RWRSAYQHMKDUJJ-JTQLQIEISA-N 0 0 272.735 4.654 10 0 CJAERN C[C@@H]1C[C@H]1[C@@H](Nc1ncnc2sccc21)c1ccccc1 ZINC000301294477 534044852 /nfs/dbraw/zinc/04/48/52/534044852.db2.gz ORGCKVJSTAORPY-DFBGVHRSSA-N 0 0 295.411 4.501 10 0 CJAERN C[C@@H]1C[C@H]1[C@H](Nc1ncnc2sccc21)c1ccccc1 ZINC000301294478 534045657 /nfs/dbraw/zinc/04/56/57/534045657.db2.gz ORGCKVJSTAORPY-KCPJHIHWSA-N 0 0 295.411 4.501 10 0 CJAERN C[C@H](Nc1ccnc(C(C)(C)C)n1)c1ccc(Cl)s1 ZINC000301514137 227568249 /nfs/dbraw/zinc/56/82/49/227568249.db2.gz JGQACNQMCDFBSX-VIFPVBQESA-N 0 0 295.839 4.662 10 0 CJAERN CC(C)(C)[C@H](Nc1ccnc(C2CC2)n1)c1cccs1 ZINC000301537283 526711685 /nfs/dbraw/zinc/71/16/85/526711685.db2.gz AYIWPXSJMWRFPH-CQSZACIVSA-N 0 0 287.432 4.615 10 0 CJAERN C[C@@H](Nc1ncc(-c2ccccc2)s1)c1ccco1 ZINC000301578178 533564181 /nfs/dbraw/zinc/56/41/81/533564181.db2.gz MXGTYYNIKBDTFB-LLVKDONJSA-N 0 0 270.357 4.576 10 0 CJAERN Cc1cc(N2CCC[C@@H]2c2ccco2)c2cccc(F)c2n1 ZINC000301643733 227622886 /nfs/dbraw/zinc/62/28/86/227622886.db2.gz CDPXNSUULNSRJX-OAHLLOKOSA-N 0 0 296.345 4.617 10 0 CJAERN C[C@@H](Nc1nnc(C2CC2)s1)c1ccc2ccccc2c1 ZINC000301748127 227662669 /nfs/dbraw/zinc/66/26/69/227662669.db2.gz ZTILAVJYUPZZQR-LLVKDONJSA-N 0 0 295.411 4.742 10 0 CJAERN CCc1sc([C@@H](C)Nc2nnc(C3CC3)s2)cc1C ZINC000301764751 227670042 /nfs/dbraw/zinc/67/00/42/227670042.db2.gz FWVJILANKXTTOR-SECBINFHSA-N 0 0 293.461 4.521 10 0 CJAERN C[C@H](Nc1ccc(OC(F)F)cn1)c1cccc(Cl)c1 ZINC000301825298 261342072 /nfs/dbraw/zinc/34/20/72/261342072.db2.gz OJSOWSLDZXMZTP-VIFPVBQESA-N 0 0 298.720 4.510 10 0 CJAERN C[C@@H](Nc1ccc(OC(F)F)cn1)c1ccc(Cl)cc1 ZINC000301826068 261342042 /nfs/dbraw/zinc/34/20/42/261342042.db2.gz OVGMJNHXORBJGY-SECBINFHSA-N 0 0 298.720 4.510 10 0 CJAERN C[C@H](Nc1ccc(OC(F)F)cn1)c1ccc(Cl)cc1 ZINC000301826069 261342029 /nfs/dbraw/zinc/34/20/29/261342029.db2.gz OVGMJNHXORBJGY-VIFPVBQESA-N 0 0 298.720 4.510 10 0 CJAERN C[C@@]12CC[C@@H]3[C@H](CC=C4CCCC[C@@]43C)[C@H]1C[C@H](F)C2=O ZINC000306147212 201847394 /nfs/dbraw/zinc/84/73/94/201847394.db2.gz VHZXNQKVFDBFIK-ATDUKWRYSA-N 0 0 290.422 4.856 10 0 CJAERN C[C@]12CC[C@@H]3[C@H](CC=C4CCCC[C@@]43C)[C@H]1C[C@H](F)C2=O ZINC000306147214 201846975 /nfs/dbraw/zinc/84/69/75/201846975.db2.gz VHZXNQKVFDBFIK-FIAUESIKSA-N 0 0 290.422 4.856 10 0 CJAERN FC(F)(F)c1cc(Cl)c(Cl)cc1Br ZINC000307403698 333014190 /nfs/dbraw/zinc/01/41/90/333014190.db2.gz KYAMUJIUNUIKGO-UHFFFAOYSA-N 0 0 293.897 4.775 10 0 CJAERN Fc1ncc(Cl)cc1-c1cc(Cl)cc(Cl)c1 ZINC000309184635 567931479 /nfs/dbraw/zinc/93/14/79/567931479.db2.gz HWOPUEXGYIGBKV-UHFFFAOYSA-N 0 0 276.525 4.848 10 0 CJAERN Fc1ncc(Cl)cc1-c1ccc(Cl)cc1Cl ZINC000309208770 567932823 /nfs/dbraw/zinc/93/28/23/567932823.db2.gz DYJKFRQZABQIRF-UHFFFAOYSA-N 0 0 276.525 4.848 10 0 CJAERN Fc1ncc(Cl)cc1-c1cccc(Cl)c1Cl ZINC000309279444 570275664 /nfs/dbraw/zinc/27/56/64/570275664.db2.gz SSUDZCDFSXALER-UHFFFAOYSA-N 0 0 276.525 4.848 10 0 CJAERN CC(C)c1cnc(N[C@H](C)c2cccs2)s1 ZINC000309338208 260153989 /nfs/dbraw/zinc/15/39/89/260153989.db2.gz JNBUDCXVTZTXRF-SECBINFHSA-N 0 0 252.408 4.501 10 0 CJAERN CC(C)c1cnc(N[C@@H](C)c2cccs2)s1 ZINC000309338210 260154141 /nfs/dbraw/zinc/15/41/41/260154141.db2.gz JNBUDCXVTZTXRF-VIFPVBQESA-N 0 0 252.408 4.501 10 0 CJAERN Fc1ncc(Cl)cc1-c1ccc(Cl)c(Cl)c1 ZINC000309564379 567943855 /nfs/dbraw/zinc/94/38/55/567943855.db2.gz PYRFPDTYVANKSX-UHFFFAOYSA-N 0 0 276.525 4.848 10 0 CJAERN C[C@@H](NCc1ccsc1Cl)c1ccc(Cl)s1 ZINC000309815254 333049949 /nfs/dbraw/zinc/04/99/49/333049949.db2.gz VDTJVIHKYIRXNZ-SSDOTTSWSA-N 0 0 292.256 4.967 10 0 CJAERN C[C@H](NCc1ccsc1Cl)c1ccc(Cl)s1 ZINC000309815255 333050026 /nfs/dbraw/zinc/05/00/26/333050026.db2.gz VDTJVIHKYIRXNZ-ZETCQYMHSA-N 0 0 292.256 4.967 10 0 CJAERN Cc1cc(CNc2ccc(C(F)(F)F)cc2)cs1 ZINC000310744457 333061175 /nfs/dbraw/zinc/06/11/75/333061175.db2.gz GOCYJLAACHJDPP-UHFFFAOYSA-N 0 0 271.307 4.687 10 0 CJAERN C[C@@H](Nc1nccc(C(C)(C)C)n1)c1ccc(Cl)s1 ZINC000311726380 333071737 /nfs/dbraw/zinc/07/17/37/333071737.db2.gz QHJMLJSLBDWFJW-SECBINFHSA-N 0 0 295.839 4.662 10 0 CJAERN C[C@H](Nc1nccc(C(C)(C)C)n1)c1ccc(Cl)s1 ZINC000311726381 333071731 /nfs/dbraw/zinc/07/17/31/333071731.db2.gz QHJMLJSLBDWFJW-VIFPVBQESA-N 0 0 295.839 4.662 10 0 CJAERN C[C@H](NCc1ccsc1Cl)c1cccc(Cl)c1 ZINC000312554526 260148139 /nfs/dbraw/zinc/14/81/39/260148139.db2.gz JKOWYAQZQOCKGQ-VIFPVBQESA-N 0 0 286.227 4.906 10 0 CJAERN C[C@H](NCc1ccsc1Cl)c1ccc(F)c(F)c1 ZINC000312574541 326916199 /nfs/dbraw/zinc/91/61/99/326916199.db2.gz DKMFXVADNSUZAC-QMMMGPOBSA-N 0 0 287.762 4.531 10 0 CJAERN Cc1ccc([C@H](C)NCc2ccsc2Cl)cc1F ZINC000312686524 333375946 /nfs/dbraw/zinc/37/59/46/333375946.db2.gz SJEOCQGQGPEJPB-JTQLQIEISA-N 0 0 283.799 4.700 10 0 CJAERN CCn1nc(C)c([C@@H](C)Nc2cccc(C)c2Cl)c1C ZINC000312700088 334752198 /nfs/dbraw/zinc/75/21/98/334752198.db2.gz CYLSMYNMRFXIOV-LLVKDONJSA-N 0 0 291.826 4.655 10 0 CJAERN CCn1nc(C)c([C@H](C)Nc2cccc(C)c2Cl)c1C ZINC000312700093 334752108 /nfs/dbraw/zinc/75/21/08/334752108.db2.gz CYLSMYNMRFXIOV-NSHDSACASA-N 0 0 291.826 4.655 10 0 CJAERN CCOc1ccccc1[C@H](C)NCc1ccsc1Cl ZINC000312762886 326963266 /nfs/dbraw/zinc/96/32/66/326963266.db2.gz WIRANNJNSJDPNM-NSHDSACASA-N 0 0 295.835 4.651 10 0 CJAERN Cc1ccccc1[C@@H](C)Nc1ccnc(C(F)(F)F)c1 ZINC000312830882 260209219 /nfs/dbraw/zinc/20/92/19/260209219.db2.gz JUNYPPNCHJQLDN-LLVKDONJSA-N 0 0 280.293 4.582 10 0 CJAERN Cc1ccccc1[C@H](C)Nc1ccnc(C(F)(F)F)c1 ZINC000312830884 260209384 /nfs/dbraw/zinc/20/93/84/260209384.db2.gz JUNYPPNCHJQLDN-NSHDSACASA-N 0 0 280.293 4.582 10 0 CJAERN Cc1ccccc1-c1nc2cccc(Cl)c2c(=S)[nH]1 ZINC000328579516 566898108 /nfs/dbraw/zinc/89/81/08/566898108.db2.gz NAQARKXKWOSFHI-UHFFFAOYSA-N 0 0 286.787 4.547 10 0 CJAERN Cc1nc(C(C)C)oc1CSc1ncc(C(C)(C)C)o1 ZINC000333267160 228195489 /nfs/dbraw/zinc/19/54/89/228195489.db2.gz NABAKQPWIBMCOC-UHFFFAOYSA-N 0 0 294.420 4.684 10 0 CJAERN CCCCCCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000334161744 206122474 /nfs/dbraw/zinc/12/24/74/206122474.db2.gz FCZWGCWNVXJYGP-HRCADAONSA-N 0 0 268.441 4.961 10 0 CJAERN CC(C)c1ccccc1N[C@H]1CCCC12CCOCC2 ZINC000380286858 335968860 /nfs/dbraw/zinc/96/88/60/335968860.db2.gz RFQRTNHAXAATND-KRWDZBQOSA-N 0 0 273.420 4.571 10 0 CJAERN CC(C)c1ccccc1N[C@@H]1CCCC12CCOCC2 ZINC000380286859 335968843 /nfs/dbraw/zinc/96/88/43/335968843.db2.gz RFQRTNHAXAATND-QGZVFWFLSA-N 0 0 273.420 4.571 10 0 CJAERN Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)c(F)c2)cs1 ZINC000381354142 336060345 /nfs/dbraw/zinc/06/03/45/336060345.db2.gz IPOBPAALAWQRMR-OLZOCXBDSA-N 0 0 277.408 4.916 10 0 CJAERN Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)cs1 ZINC000381354150 336060259 /nfs/dbraw/zinc/06/02/59/336060259.db2.gz IPOBPAALAWQRMR-QWHCGFSZSA-N 0 0 277.408 4.916 10 0 CJAERN Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)cs1 ZINC000381354160 336060184 /nfs/dbraw/zinc/06/01/84/336060184.db2.gz IPOBPAALAWQRMR-STQMWFEESA-N 0 0 277.408 4.916 10 0 CJAERN Fc1ncc(Cl)cc1-c1cc(Cl)ccc1Cl ZINC000385571614 570261990 /nfs/dbraw/zinc/26/19/90/570261990.db2.gz QRXGKITZCZZJPK-UHFFFAOYSA-N 0 0 276.525 4.848 10 0 CJAERN C[C@@H](Nc1cccc2ccsc21)c1cncs1 ZINC000386194094 336167870 /nfs/dbraw/zinc/16/78/70/336167870.db2.gz CNPSLEMNRDFFIB-SECBINFHSA-N 0 0 260.387 4.531 10 0 CJAERN C[C@H](Nc1cccc2ccsc21)c1cncs1 ZINC000386194095 336167670 /nfs/dbraw/zinc/16/76/70/336167670.db2.gz CNPSLEMNRDFFIB-VIFPVBQESA-N 0 0 260.387 4.531 10 0 CJAERN FC(F)c1cccc(N[C@H]2CCc3ccccc32)c1 ZINC000386216879 336168397 /nfs/dbraw/zinc/16/83/97/336168397.db2.gz IWFDSNPRUZXMOJ-HNNXBMFYSA-N 0 0 259.299 4.724 10 0 CJAERN FC(F)c1cccc(N[C@@H]2CCc3ccccc32)c1 ZINC000386216880 336168476 /nfs/dbraw/zinc/16/84/76/336168476.db2.gz IWFDSNPRUZXMOJ-OAHLLOKOSA-N 0 0 259.299 4.724 10 0 CJAERN Cc1cscc1NCc1ccc2nc(C)ccc2c1 ZINC000387022194 336183833 /nfs/dbraw/zinc/18/38/33/336183833.db2.gz MQMPBRHTXMVHIX-UHFFFAOYSA-N 0 0 268.385 4.525 10 0 CJAERN Cc1cscc1NCc1ccc(C(F)F)cc1 ZINC000387172727 336186981 /nfs/dbraw/zinc/18/69/81/336186981.db2.gz HYTOQYFPLORQMU-UHFFFAOYSA-N 0 0 253.317 4.606 10 0 CJAERN Cc1cc(-c2cc(Cl)ccc2Cl)cc(F)n1 ZINC000393765629 570277153 /nfs/dbraw/zinc/27/71/53/570277153.db2.gz PPQDHHKCNHKLTA-UHFFFAOYSA-N 0 0 256.107 4.503 10 0 CJAERN CC(C)c1nn(C)cc1N[C@@H](C)c1ccc(F)cc1Cl ZINC000394437092 260751867 /nfs/dbraw/zinc/75/18/67/260751867.db2.gz ZKAAUCMVLBHZKD-JTQLQIEISA-N 0 0 295.789 4.509 10 0 CJAERN CC(C)c1nn(C)cc1N[C@H](C)c1ccc(F)cc1Cl ZINC000394437095 260751752 /nfs/dbraw/zinc/75/17/52/260751752.db2.gz ZKAAUCMVLBHZKD-SNVBAGLBSA-N 0 0 295.789 4.509 10 0 CJAERN FC1(F)CN(Cc2ccccc2)CC/C1=C/c1ccccc1 ZINC000396138853 333189162 /nfs/dbraw/zinc/18/91/62/333189162.db2.gz QQEHEYSGDFOQOY-AQTBWJFISA-N 0 0 299.364 4.611 10 0 CJAERN Cc1cc(N[C@@H](C)c2cncs2)cc(C)c1Cl ZINC000442819613 330785533 /nfs/dbraw/zinc/78/55/33/330785533.db2.gz IYRCFYBMCRZUAB-JTQLQIEISA-N 0 0 266.797 4.586 10 0 CJAERN Cc1cscc1NCC1CCC(C(F)(F)F)CC1 ZINC000466361646 331393402 /nfs/dbraw/zinc/39/34/02/331393402.db2.gz BSJUCTGMVCWWHP-UHFFFAOYSA-N 0 0 277.355 4.837 10 0 CJAERN Cc1c(Cl)cc(NCc2nccn2C(C)C)cc1Cl ZINC000467773146 331423992 /nfs/dbraw/zinc/42/39/92/331423992.db2.gz QVUVVVQKKGZRRO-UHFFFAOYSA-N 0 0 298.217 4.691 10 0 CJAERN CC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000514258615 265402787 /nfs/dbraw/zinc/40/27/87/265402787.db2.gz HPJRGARLYVUDTG-UHFFFAOYSA-N 0 0 286.274 4.516 10 0 CJAERN Cc1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000521401122 570373897 /nfs/dbraw/zinc/37/38/97/570373897.db2.gz UEEGKHPMLCEWPZ-UHFFFAOYSA-N 0 0 258.264 4.622 10 0 CJAERN Cc1ccc(COC(C)(C)[Si](C)(C)C)cc1Cl ZINC000526059850 327885394 /nfs/dbraw/zinc/88/53/94/327885394.db2.gz XRJABRHRGQEDEQ-UHFFFAOYSA-N 0 0 270.876 4.821 10 0 CJAERN Clc1cc(Cl)c(C2CCOCC2)cc1Cl ZINC000536952591 330382566 /nfs/dbraw/zinc/38/25/66/330382566.db2.gz FRZFWZDCFVZDBX-UHFFFAOYSA-N 0 0 265.567 4.541 10 0 CJAERN CCc1c(C)nc2ccc(C(F)(F)F)cc2c1CC ZINC000536954519 330382877 /nfs/dbraw/zinc/38/28/77/330382877.db2.gz VMTLMOXWCQMTAO-UHFFFAOYSA-N 0 0 267.294 4.687 10 0 CJAERN CCCc1c(CC)nc2ccc(Cl)cc2c1CC ZINC000536954582 330382881 /nfs/dbraw/zinc/38/28/81/330382881.db2.gz VTKKFBFVOKYQMN-UHFFFAOYSA-N 0 0 261.796 4.966 10 0 CJAERN CC[C@@H](C)SCCCCCCNC(=O)OC(C)(C)C ZINC000536954880 330382990 /nfs/dbraw/zinc/38/29/90/330382990.db2.gz NKTSQNVHHJUEIH-CYBMUJFWSA-N 0 0 289.485 4.603 10 0 CJAERN CC[C@H](C)SCCCCCCNC(=O)OC(C)(C)C ZINC000536954890 330382961 /nfs/dbraw/zinc/38/29/61/330382961.db2.gz NKTSQNVHHJUEIH-ZDUSSCGKSA-N 0 0 289.485 4.603 10 0 CJAERN Cc1cc(-c2c(F)cccc2Br)cs1 ZINC000536957369 330383460 /nfs/dbraw/zinc/38/34/60/330383460.db2.gz FOTXGNAHQJTOFM-UHFFFAOYSA-N 0 0 271.154 4.625 10 0 CJAERN Nc1ccc(-c2ccc(Cl)cc2)cc1C(F)(F)F ZINC000536958862 330383920 /nfs/dbraw/zinc/38/39/20/330383920.db2.gz LXLQQTRWMKHJJR-UHFFFAOYSA-N 0 0 271.669 4.608 10 0 CJAERN Cc1cccc(-c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000536958952 330383897 /nfs/dbraw/zinc/38/38/97/330383897.db2.gz MXBXVTQLSIVGDX-UHFFFAOYSA-N 0 0 254.226 4.820 10 0 CJAERN Cc1ccc(-c2c(F)cccc2Br)cc1F ZINC000536959686 330383991 /nfs/dbraw/zinc/38/39/91/330383991.db2.gz RRHHTJRYKXNRKW-UHFFFAOYSA-N 0 0 283.115 4.703 10 0 CJAERN Cc1c(N[C@H](C)c2cncs2)cccc1C(F)(F)F ZINC000539741772 333688880 /nfs/dbraw/zinc/68/88/80/333688880.db2.gz UMYIFGVNSHUBNA-SECBINFHSA-N 0 0 286.322 4.643 10 0 CJAERN Cc1c(N[C@@H](C)c2cncs2)cccc1C(F)(F)F ZINC000539741773 333688894 /nfs/dbraw/zinc/68/88/94/333688894.db2.gz UMYIFGVNSHUBNA-VIFPVBQESA-N 0 0 286.322 4.643 10 0 CJAERN CCc1ccc(N[C@@H](C)c2cncs2)cc1Cl ZINC000570049682 327565127 /nfs/dbraw/zinc/56/51/27/327565127.db2.gz QDLLNPQTBBQJSH-VIFPVBQESA-N 0 0 266.797 4.532 10 0 CJAERN c1ccc(P(C2=CCCC=C2)C2CCCC2)cc1 ZINC000575009888 333405525 /nfs/dbraw/zinc/40/55/25/333405525.db2.gz LQDVVHUVJWHBTH-UHFFFAOYSA-N 0 0 254.313 4.599 10 0 CJAERN Clc1ccc2nc(-c3c[nH]c4ccccc34)oc2c1 ZINC000575444748 329120210 /nfs/dbraw/zinc/12/02/10/329120210.db2.gz IKGDBSIRFHZOMG-UHFFFAOYSA-N 0 0 268.703 4.630 10 0 CJAERN Fc1ncc(-c2ccc(Cl)cc2)cc1C(F)(F)F ZINC000584880472 570228651 /nfs/dbraw/zinc/22/86/51/570228651.db2.gz CVRTUXKVYGPFEY-UHFFFAOYSA-N 0 0 275.632 4.560 10 0 CJAERN O=Cc1ccc(-c2cccc(CC3CCC3)c2)cc1 ZINC000584880815 570228668 /nfs/dbraw/zinc/22/86/68/570228668.db2.gz NMNUZHIIDVCXOR-UHFFFAOYSA-N 0 0 250.341 4.509 10 0 CJAERN CC(C)(C)c1ccc([C@H]2CC(F)(F)C2(F)F)cc1 ZINC000584881379 567882749 /nfs/dbraw/zinc/88/27/49/567882749.db2.gz RBJFROSVWNYQDF-LLVKDONJSA-N 0 0 260.274 4.742 10 0 CJAERN CC(C)(C)c1ccc([C@@H]2CC(F)(F)C2(F)F)cc1 ZINC000584881381 567882782 /nfs/dbraw/zinc/88/27/82/567882782.db2.gz RBJFROSVWNYQDF-NSHDSACASA-N 0 0 260.274 4.742 10 0 CJAERN Cc1cccc(-c2cc(C(F)(F)F)cnc2Cl)c1 ZINC000584881458 567882768 /nfs/dbraw/zinc/88/27/68/567882768.db2.gz SCHKGAMFPRXVNU-UHFFFAOYSA-N 0 0 271.669 4.729 10 0 CJAERN FC(F)(F)c1cnc(Cl)c(C2CCCCC2)c1 ZINC000584881524 567882745 /nfs/dbraw/zinc/88/27/45/567882745.db2.gz VGUGGQGGELNNOJ-UHFFFAOYSA-N 0 0 263.690 4.802 10 0 CJAERN Brc1ncnc2scc(C3CCCCC3)c21 ZINC000584882469 570229435 /nfs/dbraw/zinc/22/94/35/570229435.db2.gz LAJQJHGSYUKAJZ-UHFFFAOYSA-N 0 0 297.221 4.502 10 0 CJAERN Cc1cc(C(C)(C)C)nc2ccc(Br)cc12 ZINC000605702100 567211153 /nfs/dbraw/zinc/21/11/53/567211153.db2.gz YCECEICWVDIUNT-UHFFFAOYSA-N 0 0 278.193 4.603 10 0 CJAERN COC1=NCCCC[C@H]1C1CCC(C(C)(C)C)CC1 ZINC000616571559 570252802 /nfs/dbraw/zinc/25/28/02/570252802.db2.gz ZFBRJJHLORHJMP-NRXISQOPSA-N 0 0 265.441 4.684 10 0 CJAERN COC1=NCCCC[C@@H]1C1CCC(C(C)(C)C)CC1 ZINC000616571565 570408990 /nfs/dbraw/zinc/40/89/90/570408990.db2.gz ZFBRJJHLORHJMP-YMAMQOFZSA-N 0 0 265.441 4.684 10 0 CJAERN CC(C)c1cc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000616577083 567213403 /nfs/dbraw/zinc/21/34/03/567213403.db2.gz HWWUCCCTYDOLMN-UHFFFAOYSA-N 0 0 255.148 4.507 10 0 CJAERN Cc1ccc(CNc2ccsc2)c(C)c1Br ZINC000616577826 567213149 /nfs/dbraw/zinc/21/31/49/567213149.db2.gz MXFWARSITJKBLF-UHFFFAOYSA-N 0 0 296.233 4.740 10 0 CJAERN Cc1ccc(CNc2ccccc2)c(C)c1Br ZINC000616580418 567213765 /nfs/dbraw/zinc/21/37/65/567213765.db2.gz XDVRBTCFMPVNSG-UHFFFAOYSA-N 0 0 290.204 4.678 10 0 CJAERN Cc1cc(C2CCC2)nc2ccc(Br)cc12 ZINC000667393934 566933792 /nfs/dbraw/zinc/93/37/92/566933792.db2.gz BIELDTVOPMPRDB-UHFFFAOYSA-N 0 0 276.177 4.573 10 0 CJAERN Cc1c(C)c(C(C)C)nc2ccc(Br)cc12 ZINC000667394013 566933568 /nfs/dbraw/zinc/93/35/68/566933568.db2.gz JVVOTZYXIZMHNS-UHFFFAOYSA-N 0 0 278.193 4.738 10 0 CJAERN Cc1c(C)c(C(C)C)nc2cc(Br)ccc12 ZINC000667395530 566933651 /nfs/dbraw/zinc/93/36/51/566933651.db2.gz JLGFIYIWCSUREC-UHFFFAOYSA-N 0 0 278.193 4.738 10 0 CJAERN Cc1cc(C(C)(C)C)nc2cc(Br)ccc12 ZINC000667395531 566933613 /nfs/dbraw/zinc/93/36/13/566933613.db2.gz JZFFASFTPQOFTF-UHFFFAOYSA-N 0 0 278.193 4.603 10 0 CJAERN Cc1cc(C2CCC2)nc2cc(Br)ccc12 ZINC000667395532 566933252 /nfs/dbraw/zinc/93/32/52/566933252.db2.gz KJSPQRMVUJKEQF-UHFFFAOYSA-N 0 0 276.177 4.573 10 0 CJAERN CCc1nc2cc(Br)c(Cl)cc2c(C)c1C ZINC000669371924 570350629 /nfs/dbraw/zinc/35/06/29/570350629.db2.gz BLLBUCNIPWZQCC-UHFFFAOYSA-N 0 0 298.611 4.830 10 0 CJAERN CCc1cc(C(C)C)nc2ccc(Br)cc12 ZINC000669372233 566949368 /nfs/dbraw/zinc/94/93/68/566949368.db2.gz JIDHAYXYYLYUIJ-UHFFFAOYSA-N 0 0 278.193 4.683 10 0 CJAERN CCc1cc(C)nc2cc(Br)c(Cl)cc12 ZINC000669372237 566949289 /nfs/dbraw/zinc/94/92/89/566949289.db2.gz JJDCNBMBQSRZDM-UHFFFAOYSA-N 0 0 284.584 4.522 10 0 CJAERN Cc1cc2nc(C(F)F)cc(C)c2cc1Br ZINC000669372250 566949353 /nfs/dbraw/zinc/94/93/53/566949353.db2.gz KTLSNPBWFFRUCH-UHFFFAOYSA-N 0 0 286.119 4.552 10 0 CJAERN CCc1nc2cc(Cl)c(Br)cc2c(C)c1C ZINC000669372259 566949315 /nfs/dbraw/zinc/94/93/15/566949315.db2.gz LFTBANYZFRVBHJ-UHFFFAOYSA-N 0 0 298.611 4.830 10 0 CJAERN Cc1cc2nc(C(C)C)cc(C)c2cc1Br ZINC000669372270 566949404 /nfs/dbraw/zinc/94/94/04/566949404.db2.gz LZUQQODJXVFEHZ-UHFFFAOYSA-N 0 0 278.193 4.738 10 0 CJAERN Cc1cc2c(C)cc(C(F)F)nc2cc1Br ZINC000669372714 570350973 /nfs/dbraw/zinc/35/09/73/570350973.db2.gz XKIFFSRRBWDQSG-UHFFFAOYSA-N 0 0 286.119 4.552 10 0 CJAERN Cc1cc2c(C)cc(C(C)C)nc2cc1Br ZINC000669372735 570350949 /nfs/dbraw/zinc/35/09/49/570350949.db2.gz YGMPEHAJLIUTSY-UHFFFAOYSA-N 0 0 278.193 4.738 10 0 CJAERN Cc1cc(C(C)C)nc2cc(Br)c(F)cc12 ZINC000669372743 570350850 /nfs/dbraw/zinc/35/08/50/570350850.db2.gz YIVGRKPIHMBQOO-UHFFFAOYSA-N 0 0 282.156 4.568 10 0 CJAERN Cc1cc(C(C)C)nc2cc(F)c(Br)cc12 ZINC000669372755 570350882 /nfs/dbraw/zinc/35/08/82/570350882.db2.gz ZCTIZWSQRDNJKT-UHFFFAOYSA-N 0 0 282.156 4.568 10 0 CJAERN CCNc1ccc(-c2cccc(Br)c2)cc1 ZINC000669379761 566951330 /nfs/dbraw/zinc/95/13/30/566951330.db2.gz BYKSYLZPDXRANG-UHFFFAOYSA-N 0 0 276.177 4.548 10 0 CJAERN CCNc1ccc(-c2ccc(Br)cc2)cc1 ZINC000669380431 570352535 /nfs/dbraw/zinc/35/25/35/570352535.db2.gz NEQVNTFMMVOTDG-UHFFFAOYSA-N 0 0 276.177 4.548 10 0 CJAERN CNc1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC000669380436 570352543 /nfs/dbraw/zinc/35/25/43/570352543.db2.gz NHTFANRGFLRWEF-UHFFFAOYSA-N 0 0 252.144 4.702 10 0 CJAERN CC1(C)CC(=Cc2ccc(C=O)nc2)CC(C)(C)C1 ZINC000675051959 566828181 /nfs/dbraw/zinc/82/81/81/566828181.db2.gz YOKCUHYHHJSWAA-UHFFFAOYSA-N 0 0 257.377 4.514 10 0 CJAERN Brc1ccc(-c2ccc3c(c2)C=CC3)cc1 ZINC000675052929 566932182 /nfs/dbraw/zinc/93/21/82/566932182.db2.gz CJXXEVBRSYNZKR-UHFFFAOYSA-N 0 0 271.157 4.685 10 0 CJAERN Brc1cccc(-c2ccc3c(c2)C=CC3)c1 ZINC000675054781 570352135 /nfs/dbraw/zinc/35/21/35/570352135.db2.gz YYTOBONKJISXMC-UHFFFAOYSA-N 0 0 271.157 4.685 10 0 CJAERN Nc1c(F)ccc(-c2cccc(Cl)c2Cl)c1F ZINC000675056478 570364348 /nfs/dbraw/zinc/36/43/48/570364348.db2.gz KQLZGUYTCGFYDQ-UHFFFAOYSA-N 0 0 274.097 4.521 10 0 CJAERN Nc1c(F)ccc(-c2cc(Cl)ccc2Cl)c1F ZINC000675056498 570364325 /nfs/dbraw/zinc/36/43/25/570364325.db2.gz KWNALOPPNWQIPU-UHFFFAOYSA-N 0 0 274.097 4.521 10 0 CJAERN Nc1c(F)ccc(-c2c(Cl)cccc2Cl)c1F ZINC000675056693 567021826 /nfs/dbraw/zinc/02/18/26/567021826.db2.gz OFOABSALLQTCSZ-UHFFFAOYSA-N 0 0 274.097 4.521 10 0 CJAERN Nc1c(F)ccc(-c2ccc(Cl)c(Cl)c2)c1F ZINC000675056907 570364749 /nfs/dbraw/zinc/36/47/49/570364749.db2.gz RGKVNSJQBJAXCO-UHFFFAOYSA-N 0 0 274.097 4.521 10 0 CJAERN Nc1c(F)ccc(-c2ccc(SC(F)F)cc2)c1F ZINC000675059509 570365731 /nfs/dbraw/zinc/36/57/31/570365731.db2.gz QLWZVPUWVXFGEH-UHFFFAOYSA-N 0 0 287.281 4.529 10 0 CJAERN Cc1cc(-c2ccc(Br)cc2)c(C)cc1C=O ZINC000675072234 570366696 /nfs/dbraw/zinc/36/66/96/570366696.db2.gz BCLMIEMFDANQCK-UHFFFAOYSA-N 0 0 289.172 4.545 10 0 CJAERN Cc1ccc(-c2cc(C)c(C=O)cc2C)cc1Cl ZINC000675072238 570366707 /nfs/dbraw/zinc/36/67/07/570366707.db2.gz BFOSXMWMBVKALX-UHFFFAOYSA-N 0 0 258.748 4.745 10 0 CJAERN Cc1cc(-c2ccc(Cl)cc2F)c(C)cc1C=O ZINC000675072252 567023727 /nfs/dbraw/zinc/02/37/27/567023727.db2.gz BHBHHDCCPMMIHV-UHFFFAOYSA-N 0 0 262.711 4.575 10 0 CJAERN Cc1cc(-c2cccc(Br)c2)c(C)cc1C=O ZINC000675072267 567023723 /nfs/dbraw/zinc/02/37/23/567023723.db2.gz BPWIFYSWMZXFFY-UHFFFAOYSA-N 0 0 289.172 4.545 10 0 CJAERN Cc1cc(-c2cccc(Cl)c2F)c(C)cc1C=O ZINC000675072321 567023813 /nfs/dbraw/zinc/02/38/13/567023813.db2.gz CSSFGQTZIVDPRN-UHFFFAOYSA-N 0 0 262.711 4.575 10 0 CJAERN Cc1cc(-c2ccc(C(F)F)c(F)c2)c(C)cc1C=O ZINC000675072712 570366927 /nfs/dbraw/zinc/36/69/27/570366927.db2.gz KICDEGQEYGXTLB-UHFFFAOYSA-N 0 0 278.273 4.860 10 0 CJAERN Cc1ccc(-c2cc(C)c(C=O)cc2C)c(Cl)c1 ZINC000675072846 570366949 /nfs/dbraw/zinc/36/69/49/570366949.db2.gz NPNPVEJTEHMXOD-UHFFFAOYSA-N 0 0 258.748 4.745 10 0 CJAERN Cc1cc(-c2cc(Cl)ccc2C)c(C)cc1C=O ZINC000675072914 570366969 /nfs/dbraw/zinc/36/69/69/570366969.db2.gz PKLLMZXSBWHMRZ-UHFFFAOYSA-N 0 0 258.748 4.745 10 0 CJAERN Cc1cc(-c2cccc(Cl)c2C)c(C)cc1C=O ZINC000675073112 570366933 /nfs/dbraw/zinc/36/69/33/570366933.db2.gz QZXQKHRAMCUGIK-UHFFFAOYSA-N 0 0 258.748 4.745 10 0 CJAERN Cc1cc(-c2ccc(F)c(Cl)c2)c(C)cc1C=O ZINC000675073218 570366917 /nfs/dbraw/zinc/36/69/17/570366917.db2.gz VAEPIFDJRHZJOT-UHFFFAOYSA-N 0 0 262.711 4.575 10 0 CJAERN Cc1cc(-c2cc(Cl)ccc2F)c(C)cc1C=O ZINC000675073446 570367188 /nfs/dbraw/zinc/36/71/88/570367188.db2.gz XRUFMYIQVBCLNJ-UHFFFAOYSA-N 0 0 262.711 4.575 10 0 CJAERN Cc1cc(-c2cscc2Br)c(C)cc1C=O ZINC000675073501 570367195 /nfs/dbraw/zinc/36/71/95/570367195.db2.gz ZNMHEDMCBFHZRL-UHFFFAOYSA-N 0 0 295.201 4.607 10 0 CJAERN Cc1ccc(-c2nc(C(C)C)cs2)cc1Cl ZINC000675076898 567025344 /nfs/dbraw/zinc/02/53/44/567025344.db2.gz UGDRXUOBEJJFOZ-UHFFFAOYSA-N 0 0 251.782 4.895 10 0 CJAERN Cc1ccc(Cl)cc1-c1nc(C(C)C)cs1 ZINC000675076925 567025914 /nfs/dbraw/zinc/02/59/14/567025914.db2.gz ULQLBDMNSPHVMK-UHFFFAOYSA-N 0 0 251.782 4.895 10 0 CJAERN Cc1c(N)cc(-c2cccc(Cl)c2)cc1C(F)(F)F ZINC000675078954 567025984 /nfs/dbraw/zinc/02/59/84/567025984.db2.gz CSSGZHOBKXYRDS-UHFFFAOYSA-N 0 0 285.696 4.916 10 0 CJAERN Cc1ccc(F)cc1-c1cc(N)c(C)c(C(F)(F)F)c1 ZINC000675079040 567026134 /nfs/dbraw/zinc/02/61/34/567026134.db2.gz DRNMLBRMYKSBQI-UHFFFAOYSA-N 0 0 283.268 4.711 10 0 CJAERN Cc1c(N)cc(-c2ccc(F)c(F)c2)cc1C(F)(F)F ZINC000675079779 567025928 /nfs/dbraw/zinc/02/59/28/567025928.db2.gz IOWQGEIAVSSNPX-UHFFFAOYSA-N 0 0 287.231 4.541 10 0 CJAERN Cc1c(N)cc(-c2ccc(Cl)cc2)cc1C(F)(F)F ZINC000675079881 567025310 /nfs/dbraw/zinc/02/53/10/567025310.db2.gz JOLQNCGSQJGHNW-UHFFFAOYSA-N 0 0 285.696 4.916 10 0 CJAERN Cc1c(N)cc(-c2cc(F)cc(F)c2)cc1C(F)(F)F ZINC000675079884 567025545 /nfs/dbraw/zinc/02/55/45/567025545.db2.gz JTRILULGVBSPHL-UHFFFAOYSA-N 0 0 287.231 4.541 10 0 CJAERN Cc1c(N)cc(-c2cc(F)ccc2F)cc1C(F)(F)F ZINC000675080996 567028416 /nfs/dbraw/zinc/02/84/16/567028416.db2.gz ZCZQFDKVPHQUGF-UHFFFAOYSA-N 0 0 287.231 4.541 10 0 CJAERN Cc1c(N)cc(-c2cc(Cl)cs2)cc1C(F)(F)F ZINC000675081029 570368894 /nfs/dbraw/zinc/36/88/94/570368894.db2.gz ZVAWJZIFUJERKF-UHFFFAOYSA-N 0 0 291.725 4.978 10 0 CJAERN CC(=O)c1sccc1-c1cscc1C(F)F ZINC000675082067 567028092 /nfs/dbraw/zinc/02/80/92/567028092.db2.gz SCXOOWNQSAFTIM-UHFFFAOYSA-N 0 0 258.314 4.617 10 0 CJAERN CC(=O)c1ccc(-c2cscc2C(F)F)s1 ZINC000675082313 567028015 /nfs/dbraw/zinc/02/80/15/567028015.db2.gz YGCLLGUEUKWGTM-UHFFFAOYSA-N 0 0 258.314 4.617 10 0 CJAERN Brc1cscc1-c1ccc([C@H]2CCO2)cc1 ZINC000685950700 570406084 /nfs/dbraw/zinc/40/60/84/570406084.db2.gz WDXDFMKMSOIDLH-CYBMUJFWSA-N 0 0 295.201 4.639 10 0 CJAERN Brc1cscc1-c1ccc([C@@H]2CCO2)cc1 ZINC000685950701 570406067 /nfs/dbraw/zinc/40/60/67/570406067.db2.gz WDXDFMKMSOIDLH-ZDUSSCGKSA-N 0 0 295.201 4.639 10 0 CJAERN Fc1cc(-c2cc(Cl)cnc2F)ccc1C(F)F ZINC000725241216 567908037 /nfs/dbraw/zinc/90/80/37/567908037.db2.gz CWNDHWYUJVTRGQ-UHFFFAOYSA-N 0 0 275.632 4.618 10 0 CJAERN Cc1ccc(-c2cc(Cl)cnc2F)c(Cl)c1 ZINC000725241243 567907961 /nfs/dbraw/zinc/90/79/61/567907961.db2.gz GAGAPOYHBMBHDO-UHFFFAOYSA-N 0 0 256.107 4.503 10 0 CJAERN Cc1ccc(Cl)cc1-c1cc(Cl)cnc1F ZINC000725241279 567907948 /nfs/dbraw/zinc/90/79/48/567907948.db2.gz ISFKEHNRYIGIKB-UHFFFAOYSA-N 0 0 256.107 4.503 10 0 CJAERN Fc1cc(Cl)c(-c2cc(Cl)cnc2F)c(Cl)c1 ZINC000725241301 567907754 /nfs/dbraw/zinc/90/77/54/567907754.db2.gz JPSPGAKGGJSSHJ-UHFFFAOYSA-N 0 0 294.515 4.987 10 0 CJAERN Cc1c(Cl)cccc1-c1cc(Cl)cnc1F ZINC000725241319 567907959 /nfs/dbraw/zinc/90/79/59/567907959.db2.gz KKHFMBRJODKFBV-UHFFFAOYSA-N 0 0 256.107 4.503 10 0 CJAERN Fc1ncc(Cl)cc1-c1ccc(C(F)(F)F)cc1 ZINC000725241391 567907891 /nfs/dbraw/zinc/90/78/91/567907891.db2.gz PKGFLBUPHHCKBH-UHFFFAOYSA-N 0 0 275.632 4.560 10 0 CJAERN Fc1ccc(-c2cc(Cl)cnc2F)cc1C(F)(F)F ZINC000725241507 567907838 /nfs/dbraw/zinc/90/78/38/567907838.db2.gz VRSFHZHXKGEMKX-UHFFFAOYSA-N 0 0 293.622 4.699 10 0 CJAERN Cc1ccc(-c2cc(Cl)cnc2F)cc1Cl ZINC000725241553 567907774 /nfs/dbraw/zinc/90/77/74/567907774.db2.gz XRIDSQTULNOPCN-UHFFFAOYSA-N 0 0 256.107 4.503 10 0 CJAERN Cc1nn(C(C)C)cc1NCc1ccc(Cl)cc1Cl ZINC000725242425 570254925 /nfs/dbraw/zinc/25/49/25/570254925.db2.gz CMZRIBXKRMHFHL-UHFFFAOYSA-N 0 0 298.217 4.691 10 0 CJAERN Cc1nn(C(C)C)cc1NCc1ccc(Cl)c(Cl)c1 ZINC000725242445 570254862 /nfs/dbraw/zinc/25/48/62/570254862.db2.gz GESHUAAAINSXRN-UHFFFAOYSA-N 0 0 298.217 4.691 10 0 CJAERN Cc1nn(C(C)C)cc1NCc1cc(Cl)cc(Cl)c1 ZINC000725242489 570254935 /nfs/dbraw/zinc/25/49/35/570254935.db2.gz KOZBUDKLEIOQBH-UHFFFAOYSA-N 0 0 298.217 4.691 10 0 CJAERN CCC(CC)c1nc2cc(C(C)(C)C)cc(Cl)n2n1 ZINC000725243002 570255030 /nfs/dbraw/zinc/25/50/30/570255030.db2.gz FKWWKRFYAUKROA-UHFFFAOYSA-N 0 0 279.815 4.584 10 0 CJAERN Cc1cc(-c2cccc(Br)c2F)cs1 ZINC000725243883 570255004 /nfs/dbraw/zinc/25/50/04/570255004.db2.gz CDJMWOKWRSZNDS-UHFFFAOYSA-N 0 0 271.154 4.625 10 0 CJAERN Cc1ccc(-c2cccc(Br)c2F)cc1 ZINC000725244743 567908328 /nfs/dbraw/zinc/90/83/28/567908328.db2.gz VGKALXRGJAZXKL-UHFFFAOYSA-N 0 0 265.125 4.564 10 0 CJAERN CCOc1ccccc1CSCC[Si](C)(C)C ZINC000725244775 567908335 /nfs/dbraw/zinc/90/83/35/567908335.db2.gz BDZLZBYHKUNBGW-UHFFFAOYSA-N 0 0 268.498 4.657 10 0 CJAERN C[Si](C)(C)CCSCc1cn2cc(Cl)ccc2n1 ZINC000725244973 567908210 /nfs/dbraw/zinc/90/82/10/567908210.db2.gz CEQILNQCXJXFCB-UHFFFAOYSA-N 0 0 298.915 4.559 10 0 CJAERN CC(C)c1nc(CSCC[Si](C)(C)C)cs1 ZINC000725245269 567908248 /nfs/dbraw/zinc/90/82/48/567908248.db2.gz GJDIOZXCKPIODY-UHFFFAOYSA-N 0 0 273.543 4.838 10 0 CJAERN C[Si](C)(C)CCSCc1ccc(F)c(F)c1 ZINC000725245522 567908288 /nfs/dbraw/zinc/90/82/88/567908288.db2.gz JIVHTRMFOJFFIV-UHFFFAOYSA-N 0 0 260.425 4.536 10 0 CJAERN Cc1ccc(F)c(CSCC[Si](C)(C)C)c1F ZINC000725245989 567908299 /nfs/dbraw/zinc/90/82/99/567908299.db2.gz PHHLXSLDPPCDQA-UHFFFAOYSA-N 0 0 274.452 4.845 10 0 CJAERN C[Si](C)(C)CCSCc1cc(O)ccc1Cl ZINC000725246028 567908225 /nfs/dbraw/zinc/90/82/25/567908225.db2.gz QDSVECZBRRWCPK-UHFFFAOYSA-N 0 0 274.889 4.617 10 0 CJAERN C[Si](C)(C)CCSCc1cc(-c2ccccc2)no1 ZINC000725246271 567908217 /nfs/dbraw/zinc/90/82/17/567908217.db2.gz SIRWYXQPULOYJK-UHFFFAOYSA-N 0 0 291.492 4.913 10 0 CJAERN CC(C)(C)c1cnc(CSCC[Si](C)(C)C)o1 ZINC000725246275 567908308 /nfs/dbraw/zinc/90/83/08/567908308.db2.gz SLPDYZUSOVPLKM-UHFFFAOYSA-N 0 0 271.502 4.544 10 0 CJAERN C[Si](C)(C)CCSCc1ccc(F)cc1F ZINC000725246287 567908154 /nfs/dbraw/zinc/90/81/54/567908154.db2.gz UAKXBDUVVCMHHM-UHFFFAOYSA-N 0 0 260.425 4.536 10 0 CJAERN C[Si](C)(C)CCSCc1cnc(-c2ccccc2)o1 ZINC000725246319 567908327 /nfs/dbraw/zinc/90/83/27/567908327.db2.gz UHEVCLHMDJHDQO-UHFFFAOYSA-N 0 0 291.492 4.913 10 0 CJAERN COc1ccc(C)cc1CSCC[Si](C)(C)C ZINC000725246435 570255784 /nfs/dbraw/zinc/25/57/84/570255784.db2.gz VVAWEEUKJQYNIR-UHFFFAOYSA-N 0 0 268.498 4.575 10 0 CJAERN Cc1cc(F)ccc1CSCC[Si](C)(C)C ZINC000725246529 567908506 /nfs/dbraw/zinc/90/85/06/567908506.db2.gz XXHFVMPOYGGRME-UHFFFAOYSA-N 0 0 256.462 4.706 10 0 CJAERN C[Si](C)(C)CCSCc1ccc(Cl)s1 ZINC000725246542 567908438 /nfs/dbraw/zinc/90/84/38/567908438.db2.gz YARSCAASBBBNCH-UHFFFAOYSA-N 0 0 264.919 4.973 10 0 CJAERN Cc1ccc(CSCC[Si](C)(C)C)cc1F ZINC000725246608 567908505 /nfs/dbraw/zinc/90/85/05/567908505.db2.gz ZJAOMTFPKPCKPA-UHFFFAOYSA-N 0 0 256.462 4.706 10 0 CJAERN F/C(=C/c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000725254768 567914685 /nfs/dbraw/zinc/91/46/85/567914685.db2.gz BAGMFKGQIOQCFW-FPYGCLRLSA-N 0 0 259.029 4.866 10 0 CJAERN F/C(=C/c1cc(Cl)ccc1Cl)C(F)(F)F ZINC000725255132 567914850 /nfs/dbraw/zinc/91/48/50/567914850.db2.gz UASSAMDPJATQRU-XBXARRHUSA-N 0 0 259.029 4.866 10 0 CJAERN CC(C)(C)OC(=O)Nc1ccc2c(c1)C(C)(C)CCS2 ZINC000725255693 567915126 /nfs/dbraw/zinc/91/51/26/567915126.db2.gz IWCRBJVSEQMNOV-UHFFFAOYSA-N 0 0 293.432 4.807 10 0 CJAERN CC(C)(Br)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000725261530 567917273 /nfs/dbraw/zinc/91/72/73/567917273.db2.gz YVDPHOFGYWIKJA-HTQZYQBOSA-N 0 0 273.136 4.529 10 0 CJAERN CC(C)(Br)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000725261531 567917339 /nfs/dbraw/zinc/91/73/39/567917339.db2.gz YVDPHOFGYWIKJA-JGVFFNPUSA-N 0 0 273.136 4.529 10 0 CJAERN CC(C)(Br)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000725261532 567917304 /nfs/dbraw/zinc/91/73/04/567917304.db2.gz YVDPHOFGYWIKJA-SFYZADRCSA-N 0 0 273.136 4.529 10 0 CJAERN CC(C)(Br)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000725261533 567917249 /nfs/dbraw/zinc/91/72/49/567917249.db2.gz YVDPHOFGYWIKJA-YUMQZZPRSA-N 0 0 273.136 4.529 10 0 CJAERN Fc1ccc(-c2ccc([C@@H]3CCO3)cc2)cc1Cl ZINC000725265063 567923276 /nfs/dbraw/zinc/92/32/76/567923276.db2.gz BUAOPZHTAJNQCL-HNNXBMFYSA-N 0 0 262.711 4.608 10 0 CJAERN Fc1ccc(-c2ccc([C@H]3CCO3)cc2)cc1Cl ZINC000725265064 567923262 /nfs/dbraw/zinc/92/32/62/567923262.db2.gz BUAOPZHTAJNQCL-OAHLLOKOSA-N 0 0 262.711 4.608 10 0 CJAERN Fc1c(Cl)cccc1-c1ccc([C@@H]2CCO2)cc1 ZINC000725265069 567923316 /nfs/dbraw/zinc/92/33/16/567923316.db2.gz CBXBYQMXYUQDHK-AWEZNQCLSA-N 0 0 262.711 4.608 10 0 CJAERN Fc1c(Cl)cccc1-c1ccc([C@H]2CCO2)cc1 ZINC000725265070 567923410 /nfs/dbraw/zinc/92/34/10/567923410.db2.gz CBXBYQMXYUQDHK-CQSZACIVSA-N 0 0 262.711 4.608 10 0 CJAERN Brc1ccccc1-c1ccc([C@@H]2CCO2)cc1 ZINC000725265185 567923151 /nfs/dbraw/zinc/92/31/51/567923151.db2.gz MQFPODIFGDSSGO-HNNXBMFYSA-N 0 0 289.172 4.578 10 0 CJAERN Brc1ccccc1-c1ccc([C@H]2CCO2)cc1 ZINC000725265186 567923283 /nfs/dbraw/zinc/92/32/83/567923283.db2.gz MQFPODIFGDSSGO-OAHLLOKOSA-N 0 0 289.172 4.578 10 0 CJAERN Brc1cccc(-c2ccc([C@@H]3CCO3)cc2)c1 ZINC000725265187 567923271 /nfs/dbraw/zinc/92/32/71/567923271.db2.gz MQFWQFCTJNGKOU-HNNXBMFYSA-N 0 0 289.172 4.578 10 0 CJAERN Brc1cccc(-c2ccc([C@H]3CCO3)cc2)c1 ZINC000725265188 567923405 /nfs/dbraw/zinc/92/34/05/567923405.db2.gz MQFWQFCTJNGKOU-OAHLLOKOSA-N 0 0 289.172 4.578 10 0 CJAERN Fc1cc(-c2ccc([C@@H]3CCO3)cc2)ccc1Cl ZINC000725265226 567923148 /nfs/dbraw/zinc/92/31/48/567923148.db2.gz RKMBPYWRCHYJGB-HNNXBMFYSA-N 0 0 262.711 4.608 10 0 CJAERN Fc1cc(-c2ccc([C@H]3CCO3)cc2)ccc1Cl ZINC000725265227 567923337 /nfs/dbraw/zinc/92/33/37/567923337.db2.gz RKMBPYWRCHYJGB-OAHLLOKOSA-N 0 0 262.711 4.608 10 0 CJAERN Fc1ccc(Cl)cc1-c1ccc([C@@H]2CCO2)cc1 ZINC000725265285 567923236 /nfs/dbraw/zinc/92/32/36/567923236.db2.gz XJCZYVHWFPGTSZ-HNNXBMFYSA-N 0 0 262.711 4.608 10 0 CJAERN Fc1ccc(Cl)cc1-c1ccc([C@H]2CCO2)cc1 ZINC000725265286 567923270 /nfs/dbraw/zinc/92/32/70/567923270.db2.gz XJCZYVHWFPGTSZ-OAHLLOKOSA-N 0 0 262.711 4.608 10 0 CJAERN Brc1ccc(-c2ccc([C@@H]3CCO3)cc2)cc1 ZINC000725265318 567220397 /nfs/dbraw/zinc/22/03/97/567220397.db2.gz ZVOQUIBSNWZSEL-HNNXBMFYSA-N 0 0 289.172 4.578 10 0 CJAERN Brc1ccc(-c2ccc([C@H]3CCO3)cc2)cc1 ZINC000725265319 567220530 /nfs/dbraw/zinc/22/05/30/567220530.db2.gz ZVOQUIBSNWZSEL-OAHLLOKOSA-N 0 0 289.172 4.578 10 0 CJAERN COCCC1(CCNc2ccsc2)CCCCC1 ZINC000725266887 567923870 /nfs/dbraw/zinc/92/38/70/567923870.db2.gz LMMPUBAHMNZIOP-UHFFFAOYSA-N 0 0 267.438 4.537 10 0 CJAERN CCCCOc1ccc(/C=C/Br)cc1OCC ZINC000725267167 567219950 /nfs/dbraw/zinc/21/99/50/567219950.db2.gz HUBXVUFRXVBURF-CMDGGOBGSA-N 0 0 299.208 4.630 10 0 CJAERN CCCOc1ccc(/C=C/Br)c(OCCC)c1 ZINC000725267189 567923865 /nfs/dbraw/zinc/92/38/65/567923865.db2.gz VZPLZGGPGHCVJD-BQYQJAHWSA-N 0 0 299.208 4.630 10 0 CJAERN Oc1cc2ccc(Cl)cc2nc1C1CCCCC1 ZINC000725267526 570263187 /nfs/dbraw/zinc/26/31/87/570263187.db2.gz NMUNJJISAPXYSG-UHFFFAOYSA-N 0 0 261.752 4.642 10 0 CJAERN Oc1cc2cccc(Cl)c2nc1C1CCCCC1 ZINC000725267761 567924059 /nfs/dbraw/zinc/92/40/59/567924059.db2.gz WKROWYOFSUIJSE-UHFFFAOYSA-N 0 0 261.752 4.642 10 0 CJAERN Cc1ccc(F)cc1-c1nn(C(C)C)cc1C(F)F ZINC000725269650 567924485 /nfs/dbraw/zinc/92/44/85/567924485.db2.gz BSTXQKIBEFYBED-UHFFFAOYSA-N 0 0 268.282 4.516 10 0 CJAERN Cc1ccc(F)c(-c2nn(C(C)C)cc2C(F)F)c1 ZINC000725269711 567924477 /nfs/dbraw/zinc/92/44/77/567924477.db2.gz CINZGNIXHPZBTO-UHFFFAOYSA-N 0 0 268.282 4.516 10 0 CJAERN Cc1ccc(-c2cc(Br)ccc2F)c(C)c1 ZINC000725269902 567924433 /nfs/dbraw/zinc/92/44/33/567924433.db2.gz ALJHHBBDCUXLGY-UHFFFAOYSA-N 0 0 279.152 4.872 10 0 CJAERN CC(C)n1cc(C(F)F)c(-c2cccc(Cl)c2F)n1 ZINC000725270383 567924648 /nfs/dbraw/zinc/92/46/48/567924648.db2.gz LESVIJIJMLJIFI-UHFFFAOYSA-N 0 0 288.700 4.861 10 0 CJAERN CC(C)n1cc(C(F)F)c(-c2ccc(F)c(Cl)c2)n1 ZINC000725270416 567924794 /nfs/dbraw/zinc/92/47/94/567924794.db2.gz MOVUDUIZPCNHSU-UHFFFAOYSA-N 0 0 288.700 4.861 10 0 CJAERN Cc1cc(-c2nn(C(C)C)cc2C(F)F)ccc1F ZINC000725270463 567924598 /nfs/dbraw/zinc/92/45/98/567924598.db2.gz NVGGYAFMXXUWRD-UHFFFAOYSA-N 0 0 268.282 4.516 10 0 CJAERN CC(C)n1cc(C(F)F)c(-c2ccc(Cl)cc2F)n1 ZINC000725270482 567924683 /nfs/dbraw/zinc/92/46/83/567924683.db2.gz OQJWWCJNPAYBGY-UHFFFAOYSA-N 0 0 288.700 4.861 10 0 CJAERN Cc1cc(F)ccc1-c1nn(C(C)C)cc1C(F)F ZINC000725271022 567924771 /nfs/dbraw/zinc/92/47/71/567924771.db2.gz VFWNPPGHTQBMSK-UHFFFAOYSA-N 0 0 268.282 4.516 10 0 CJAERN CC(C)n1cc(C(F)F)c(-c2ccc(Cl)c(F)c2)n1 ZINC000725271057 567924684 /nfs/dbraw/zinc/92/46/84/567924684.db2.gz VZNMCXSTWCQAEV-UHFFFAOYSA-N 0 0 288.700 4.861 10 0 CJAERN CC(C)n1cc(C(F)F)c(-c2cc(Cl)ccc2F)n1 ZINC000725271167 567924789 /nfs/dbraw/zinc/92/47/89/567924789.db2.gz YEIKNWODBWNIFO-UHFFFAOYSA-N 0 0 288.700 4.861 10 0 CJAERN Cc1ccc(-c2nn(C(C)C)cc2C(F)F)cc1F ZINC000725271239 567924582 /nfs/dbraw/zinc/92/45/82/567924582.db2.gz ZMJIIDQQUBSMEC-UHFFFAOYSA-N 0 0 268.282 4.516 10 0 CJAERN