smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C ZINC000000000426 175118756 /nfs/dbraw/zinc/11/87/56/175118756.db2.gz MTWNWMGGMZUIMZ-NSHDSACASA-N 0 1 239.746 3.288 10 0 in-man BGAEMN Fc1ccc(-c2[nH]cnc2-c2ccncc2)cc1 ZINC000000007301 180958254 /nfs/dbraw/zinc/95/82/54/180958254.db2.gz MAOSUPNJVJGJEU-UHFFFAOYSA-N 0 1 239.253 3.278 10 0 BGAEMN Nc1c2c(nc3ccccc31)-c1ccccc1C2 ZINC000000022438 368477936 /nfs/dbraw/zinc/47/79/36/368477936.db2.gz CMZUAEAPKGOQSL-UHFFFAOYSA-N 0 1 232.286 3.388 10 0 BGAEMN c1[nH]nc2cc(NCc3ccccc3)ccc12 ZINC000000182047 383884700 /nfs/dbraw/zinc/88/47/00/383884700.db2.gz MNUHAIGMHROBLZ-UHFFFAOYSA-N 0 1 223.279 3.175 10 0 BGAEMN Oc1ccccc1Sc1ccccc1O ZINC000000496162 187300516 /nfs/dbraw/zinc/30/05/16/187300516.db2.gz BLDLRWQLBOJPEB-UHFFFAOYSA-N 0 1 218.277 3.249 10 0 BGAEMN Cc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000000505454 179237264 /nfs/dbraw/zinc/23/72/64/179237264.db2.gz LUPHUKWXQVNVCX-UHFFFAOYSA-N 0 1 235.290 3.447 10 0 BGAEMN Cc1ccccc1-c1n[nH]c(-c2ccccc2)n1 ZINC000000505454 179237262 /nfs/dbraw/zinc/23/72/62/179237262.db2.gz LUPHUKWXQVNVCX-UHFFFAOYSA-N 0 1 235.290 3.447 10 0 BGAEMN Cc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000000505463 178331491 /nfs/dbraw/zinc/33/14/91/178331491.db2.gz OGSBRDJAMKKTRH-UHFFFAOYSA-N 0 1 235.290 3.447 10 0 BGAEMN Cc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000000505463 178331489 /nfs/dbraw/zinc/33/14/89/178331489.db2.gz OGSBRDJAMKKTRH-UHFFFAOYSA-N 0 1 235.290 3.447 10 0 BGAEMN Cc1cc(OCc2cnc[nH]2)cc(C)c1Cl ZINC000001651821 178212905 /nfs/dbraw/zinc/21/29/05/178212905.db2.gz IQRPFEOJKBFMEM-UHFFFAOYSA-N 0 1 236.702 3.259 10 0 BGAEMN c1ccc([C@H]2OCCN[C@H]2c2ccccc2)cc1 ZINC000001672008 383920893 /nfs/dbraw/zinc/92/08/93/383920893.db2.gz UCAZULSLAAOLFX-JKSUJKDBSA-N 0 1 239.318 3.089 10 0 BGAEMN c1ccc([C@H]2NCCO[C@@H]2c2ccccc2)cc1 ZINC000001672009 383920667 /nfs/dbraw/zinc/92/06/67/383920667.db2.gz UCAZULSLAAOLFX-HZPDHXFCSA-N 0 1 239.318 3.089 10 0 BGAEMN c1ccc([C@@H]2NCCO[C@H]2c2ccccc2)cc1 ZINC000001672010 518203930 /nfs/dbraw/zinc/20/39/30/518203930.db2.gz UCAZULSLAAOLFX-HOTGVXAUSA-N 0 1 239.318 3.089 10 0 BGAEMN c1ccc([C@H]2NCCO[C@H]2c2ccccc2)cc1 ZINC000001672011 383920844 /nfs/dbraw/zinc/92/08/44/383920844.db2.gz UCAZULSLAAOLFX-CVEARBPZSA-N 0 1 239.318 3.089 10 0 BGAEMN COc1ccc(Cl)c2c1CCC[C@H]2N(C)C ZINC000002009618 175118745 /nfs/dbraw/zinc/11/87/45/175118745.db2.gz MTWNWMGGMZUIMZ-LLVKDONJSA-N 0 1 239.746 3.288 10 0 in-man BGAEMN CCCCC1(c2cccc(OC)c2)CN(C)C1 ZINC000002035694 368741530 /nfs/dbraw/zinc/74/15/30/368741530.db2.gz CPEOTVWFSNUGSR-UHFFFAOYSA-N 0 1 233.355 3.069 10 0 BGAEMN CN1Cc2ccccc2Cc2ccccc2C1 ZINC000003203425 342731641 /nfs/dbraw/zinc/73/16/41/342731641.db2.gz SPEAELWLROZKAS-UHFFFAOYSA-N 0 1 223.319 3.223 10 0 BGAEMN C[C@H]1Cc2ccccc2N1c1ccncc1 ZINC000003621176 177390765 /nfs/dbraw/zinc/39/07/65/177390765.db2.gz QYKSRNQOKWURKE-NSHDSACASA-N 0 1 210.280 3.164 10 0 BGAEMN CCCCCC1(c2cccc(O)c2)CN(C)C1 ZINC000003622708 342735336 /nfs/dbraw/zinc/73/53/36/342735336.db2.gz BVHFQVFALHWYPP-UHFFFAOYSA-N 0 1 233.355 3.156 10 0 BGAEMN C[C@@H](N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000003708657 175821064 /nfs/dbraw/zinc/82/10/64/175821064.db2.gz HNPRYJDUFSGDFI-SSDOTTSWSA-N 0 1 238.743 3.483 10 0 BGAEMN Cc1ccc(-c2csc([C@@H](C)N)n2)cc1 ZINC000003708668 178330657 /nfs/dbraw/zinc/33/06/57/178330657.db2.gz PAPDZNJNSWRFBJ-SECBINFHSA-N 0 1 218.325 3.138 10 0 BGAEMN Cc1ccc(-c2csc([C@@H](C)N)n2)c(C)c1 ZINC000003708688 178330462 /nfs/dbraw/zinc/33/04/62/178330462.db2.gz BELJRLTWLDPDSJ-SNVBAGLBSA-N 0 1 232.352 3.447 10 0 BGAEMN Cc1ccc(C)c(-c2csc([C@@H](C)N)n2)c1 ZINC000003708690 385923913 /nfs/dbraw/zinc/92/39/13/385923913.db2.gz LFWAQXNRHIBFLI-SNVBAGLBSA-N 0 1 232.352 3.447 10 0 BGAEMN CCc1ccc(-c2csc([C@@H](C)N)n2)cc1 ZINC000003708720 350117870 /nfs/dbraw/zinc/11/78/70/350117870.db2.gz WEKHDZQZWBROPW-SECBINFHSA-N 0 1 232.352 3.392 10 0 BGAEMN Cc1ccc(-c2csc([C@@H](C)N)n2)cc1C ZINC000003708724 178330441 /nfs/dbraw/zinc/33/04/41/178330441.db2.gz LRJWZRPAPTUYQW-SNVBAGLBSA-N 0 1 232.352 3.447 10 0 BGAEMN CCOc1ccc(-c2csc([C@@H](C)N)n2)cc1 ZINC000003708746 356042599 /nfs/dbraw/zinc/04/25/99/356042599.db2.gz GYKDSDFMAMWTTG-SECBINFHSA-N 0 1 248.351 3.229 10 0 BGAEMN Cc1ccccc1-c1csc([C@@H](C)N)n1 ZINC000003709034 179236576 /nfs/dbraw/zinc/23/65/76/179236576.db2.gz RHONGIKIRZCGLL-SECBINFHSA-N 0 1 218.325 3.138 10 0 BGAEMN Cc1ccc(-c2csc([C@@H](C)N)n2)s1 ZINC000003709080 178330089 /nfs/dbraw/zinc/33/00/89/178330089.db2.gz JETKFRAFAPDVDT-SSDOTTSWSA-N 0 1 224.354 3.200 10 0 BGAEMN C[C@@H](N)c1nc(C2CCCCC2)cs1 ZINC000003709139 384025140 /nfs/dbraw/zinc/02/51/40/384025140.db2.gz YFKIZMZCTOEUBW-MRVPVSSYSA-N 0 1 210.346 3.211 10 0 BGAEMN CC(C)Cc1ccc(-c2csc(CN)n2)cc1 ZINC000003709677 188102087 /nfs/dbraw/zinc/10/20/87/188102087.db2.gz ZKCVMRVKKRHGNI-UHFFFAOYSA-N 0 1 246.379 3.467 10 0 BGAEMN Clc1cccc(Cl)c1Nc1ncc[nH]1 ZINC000003820959 180591275 /nfs/dbraw/zinc/59/12/75/180591275.db2.gz JMIQFISPBOHMQG-UHFFFAOYSA-N 0 1 228.082 3.460 10 0 in-vivo BGAEMN COc1ccccc1NC1=NCCCCC1 ZINC000003866648 175336999 /nfs/dbraw/zinc/33/69/99/175336999.db2.gz ATUOSSHIFTXTGO-UHFFFAOYSA-N 0 1 218.300 3.080 10 0 BGAEMN c1[nH]nc2cc(N[C@H]3C[C@H]4CC[C@@H]3C4)ccc12 ZINC000004009797 183374879 /nfs/dbraw/zinc/37/48/79/183374879.db2.gz LZAYLGSOPOTJMC-CWSCBRNRSA-N 0 1 227.311 3.163 10 0 BGAEMN Fc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1 ZINC000004243137 342745424 /nfs/dbraw/zinc/74/54/24/342745424.db2.gz JWQVMMHWTAFPQR-UHFFFAOYSA-N 0 1 230.164 3.235 10 0 BGAEMN Cc1ccc2nc(-c3cccc(C)n3)[nH]c2c1 ZINC000005425039 188277476 /nfs/dbraw/zinc/27/74/76/188277476.db2.gz OKHWNVWJPUHVKZ-UHFFFAOYSA-N 0 1 223.279 3.242 10 0 BGAEMN CCCCCC1(c2cccc(OC)c2)CN(C)C1 ZINC000005511280 369027482 /nfs/dbraw/zinc/02/74/82/369027482.db2.gz QJFLONLIVRRVHF-UHFFFAOYSA-N 0 1 247.382 3.459 10 0 BGAEMN O=C(c1ccccc1O)c1ccccc1Cl ZINC000006095236 342773592 /nfs/dbraw/zinc/77/35/92/342773592.db2.gz XKIZYRVSJNWVGM-UHFFFAOYSA-N 0 1 232.666 3.277 10 0 BGAEMN Oc1c(Cl)ccc2cc(Cl)cnc12 ZINC000006525027 188097093 /nfs/dbraw/zinc/09/70/93/188097093.db2.gz RFJJQNPTZCMYRX-UHFFFAOYSA-N 0 1 214.051 3.247 10 0 BGAEMN C[C@@H](c1nc2ccccc2[nH]1)N1CCCCC1 ZINC000006745974 176039804 /nfs/dbraw/zinc/03/98/04/176039804.db2.gz DRCDQPLZUKQEEJ-NSHDSACASA-N 0 1 229.327 3.110 10 0 BGAEMN C[C@H](c1nc2ccccc2[nH]1)N1CCCCC1 ZINC000006745979 177054361 /nfs/dbraw/zinc/05/43/61/177054361.db2.gz DRCDQPLZUKQEEJ-LLVKDONJSA-N 0 1 229.327 3.110 10 0 BGAEMN CCOc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000006784186 342783140 /nfs/dbraw/zinc/78/31/40/342783140.db2.gz DOHRGJDYYQWTAN-UHFFFAOYSA-N 0 1 239.278 3.024 10 0 BGAEMN Clc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000006813625 345926720 /nfs/dbraw/zinc/92/67/20/345926720.db2.gz VYLYRJBQIPOPRK-UHFFFAOYSA-N 0 1 218.643 3.476 10 0 BGAEMN CCC(CC)n1c(=O)c2ccccc2[nH]c1=S ZINC000007045539 361183233 /nfs/dbraw/zinc/18/32/33/361183233.db2.gz IJNLPILQGSHVKM-UHFFFAOYSA-N 0 1 248.351 3.420 10 0 BGAEMN CCC[C@@H](C)n1c(=O)c2ccccc2[nH]c1=S ZINC000007045594 361182613 /nfs/dbraw/zinc/18/26/13/361182613.db2.gz GLKBUVKBCMCENV-SECBINFHSA-N 0 1 248.351 3.420 10 0 BGAEMN CCC[C@H](C)n1c(=O)c2ccccc2[nH]c1=S ZINC000007045596 361182812 /nfs/dbraw/zinc/18/28/12/361182812.db2.gz GLKBUVKBCMCENV-VIFPVBQESA-N 0 1 248.351 3.420 10 0 BGAEMN Cc1cc(C)n(-c2cc(C)nc3ccccc32)n1 ZINC000008409861 342798915 /nfs/dbraw/zinc/79/89/15/342798915.db2.gz VCFPZSRYEAYVNR-UHFFFAOYSA-N 0 1 237.306 3.346 10 0 BGAEMN C[C@@H]1Cc2ccccc2N1c1ccncc1 ZINC000008652066 384207450 /nfs/dbraw/zinc/20/74/50/384207450.db2.gz QYKSRNQOKWURKE-LLVKDONJSA-N 0 1 210.280 3.164 10 0 BGAEMN Cc1[nH]n(-c2ccccc2)c(=O)c1CC(C)C ZINC000010157318 168135027 /nfs/dbraw/zinc/13/50/27/168135027.db2.gz YOQLDYYUCQUBHZ-CYBMUJFWSA-N 0 1 230.311 3.071 10 0 BGAEMN Cc1ccc(-n2[nH]c(C(C)(C)C)cc2=O)cc1 ZINC000010157352 342834608 /nfs/dbraw/zinc/83/46/08/342834608.db2.gz LFNDWJPFGBTJHB-UHFFFAOYSA-N 0 1 230.311 3.134 10 0 BGAEMN Cc1cccc(-n2[nH]c(C(C)(C)C)cc2=O)c1 ZINC000010157374 179123373 /nfs/dbraw/zinc/12/33/73/179123373.db2.gz VACPOTFTJUIJQB-UHFFFAOYSA-N 0 1 230.311 3.134 10 0 BGAEMN Cc1ccccc1-n1[nH]c(C(C)(C)C)cc1=O ZINC000010157395 179297862 /nfs/dbraw/zinc/29/78/62/179297862.db2.gz PVJCXRGSLIZFNT-UHFFFAOYSA-N 0 1 230.311 3.134 10 0 BGAEMN Cc1ccc(C(=O)C2(N)CCCCC2)cc1C ZINC000011630621 178372048 /nfs/dbraw/zinc/37/20/48/178372048.db2.gz WZBOTSPVLKZRAF-UHFFFAOYSA-N 0 1 231.339 3.148 10 0 BGAEMN NC1(C(=O)c2ccc(Cl)cc2)CCCCC1 ZINC000011630625 181331323 /nfs/dbraw/zinc/33/13/23/181331323.db2.gz LPPZXSOXZBGFHL-UHFFFAOYSA-N 0 1 237.730 3.184 10 0 BGAEMN Cc1cc(-c2csc([C@@H](C)N)n2)ccc1F ZINC000011631713 346873787 /nfs/dbraw/zinc/87/37/87/346873787.db2.gz SBZMFMNDXBNWGV-MRVPVSSYSA-N 0 1 236.315 3.277 10 0 BGAEMN COc1ccc(C)cc1-c1csc([C@@H](C)N)n1 ZINC000011631715 175072003 /nfs/dbraw/zinc/07/20/03/175072003.db2.gz MPDYITDSGJAEOR-SECBINFHSA-N 0 1 248.351 3.147 10 0 BGAEMN C[C@H](c1ccccc1)N1Cc2cccc(N)c2C1 ZINC000011730967 177040435 /nfs/dbraw/zinc/04/04/35/177040435.db2.gz DTRKTMYWPOASDO-GFCCVEGCSA-N 0 1 238.334 3.346 10 0 BGAEMN C[C@@H](c1ccccc1)N1Cc2cccc(N)c2C1 ZINC000011730968 176021836 /nfs/dbraw/zinc/02/18/36/176021836.db2.gz DTRKTMYWPOASDO-LBPRGKRZSA-N 0 1 238.334 3.346 10 0 BGAEMN c1nc2ccc(Cc3ccc4nc[nH]c4c3)cc2[nH]1 ZINC000013119463 343070574 /nfs/dbraw/zinc/07/05/74/343070574.db2.gz BVYLJPFJEXGWNK-UHFFFAOYSA-N 0 1 248.289 3.030 10 0 BGAEMN c1nc2ccc(Cc3ccc4[nH]cnc4c3)cc2[nH]1 ZINC000013119463 343070573 /nfs/dbraw/zinc/07/05/73/343070573.db2.gz BVYLJPFJEXGWNK-UHFFFAOYSA-N 0 1 248.289 3.030 10 0 BGAEMN COc1cc(O)c2oc(C)cc2c1Cl ZINC000013386218 175005668 /nfs/dbraw/zinc/00/56/68/175005668.db2.gz AGIQVFMPRSNVEO-UHFFFAOYSA-N 0 1 212.632 3.109 10 0 BGAEMN O=C1CNc2ccc(Br)c(Cl)c21 ZINC000013544494 183254067 /nfs/dbraw/zinc/25/40/67/183254067.db2.gz AXCKOXONHIRKQP-UHFFFAOYSA-N 0 1 246.491 3.289 10 0 in-vitro BGAEMN N=C1Nc2c(F)cc(Cl)cc2[C@H]2CCC[C@@H]12 ZINC000013589478 181340099 /nfs/dbraw/zinc/34/00/99/181340099.db2.gz KIZRQQSPWFKPQM-JGVFFNPUSA-N 0 1 238.693 3.365 10 0 BGAEMN c1n[nH]nc1-c1ccccc1-c1ccccc1 ZINC000013671873 183380784 /nfs/dbraw/zinc/38/07/84/183380784.db2.gz YACUKHPVIIYUIY-UHFFFAOYSA-N 0 1 221.263 3.139 10 0 BGAEMN Clc1ccc2nc(-c3cscn3)[nH]c2c1 ZINC000013679487 387989967 /nfs/dbraw/zinc/98/99/67/387989967.db2.gz YTPUQGNBJYGJTB-UHFFFAOYSA-N 0 1 235.699 3.340 10 0 BGAEMN CO[C@@H](c1cnc[nH]1)c1cccc2ccccc21 ZINC000013737890 188268860 /nfs/dbraw/zinc/26/88/60/188268860.db2.gz GHEFQYDQTKMXST-OAHLLOKOSA-N 0 1 238.290 3.299 10 0 BGAEMN CN1CCC[C@H]1c1cc(Cc2ccccc2)no1 ZINC000013739958 384870556 /nfs/dbraw/zinc/87/05/56/384870556.db2.gz SJAJVNLJYJLUON-AWEZNQCLSA-N 0 1 242.322 3.032 10 0 BGAEMN CCSC(=N)Nc1ccc(Cl)cc1 ZINC000013762662 342871783 /nfs/dbraw/zinc/87/17/83/342871783.db2.gz MJDLBZHDSFGFJB-UHFFFAOYSA-N 0 1 214.721 3.440 10 0 BGAEMN CC1=C(C)c2nc3ccccc3c(N)c2C1 ZINC000013766049 168086751 /nfs/dbraw/zinc/08/67/51/168086751.db2.gz JDBFUNKEBJSDBO-UHFFFAOYSA-N 0 1 210.280 3.167 10 0 BGAEMN CC1(C)CC(=O)CC(C)(C)N1Cc1ccccc1 ZINC000014764786 517504520 /nfs/dbraw/zinc/50/45/20/517504520.db2.gz HPZOTZJFJNIVCS-UHFFFAOYSA-N 0 1 245.366 3.409 10 0 BGAEMN Oc1c2ccsc2ccc1Br ZINC000015043129 183252827 /nfs/dbraw/zinc/25/28/27/183252827.db2.gz RCWMLFOECUDVQL-UHFFFAOYSA-N 0 1 229.098 3.369 10 0 BGAEMN CC(C)(C)c1cc(=O)n(C2CCCCCC2)[nH]1 ZINC000015043196 342890995 /nfs/dbraw/zinc/89/09/95/342890995.db2.gz UNNRZQPQJBHKGL-UHFFFAOYSA-N 0 1 236.359 3.344 10 0 BGAEMN COc1ccc(-n2c(=S)[nH]nc2C(C)C)cc1 ZINC000015109564 175044338 /nfs/dbraw/zinc/04/43/38/175044338.db2.gz HUBHOMPWAYZVQQ-UHFFFAOYSA-N 0 1 249.339 3.062 10 0 BGAEMN Oc1ccccc1Cc1cc(Cl)ccc1O ZINC000015771981 183304135 /nfs/dbraw/zinc/30/41/35/183304135.db2.gz JFICBMAELAHNNQ-UHFFFAOYSA-N 0 1 234.682 3.342 10 0 BGAEMN Cc1[nH]n(-c2ccccc2)c(=O)c1C1CCCC1 ZINC000016607807 168135238 /nfs/dbraw/zinc/13/52/38/168135238.db2.gz LDWUCESUGWDIRJ-AWEZNQCLSA-N 0 1 242.322 3.216 10 0 BGAEMN N[C@H](c1ccc(F)cc1)c1c(F)cccc1F ZINC000019414099 181630517 /nfs/dbraw/zinc/63/05/17/181630517.db2.gz JGZUGOBYYARCJR-CYBMUJFWSA-N 0 1 237.224 3.152 10 0 BGAEMN COc1ccc([C@@H](N)c2c(F)cccc2F)cc1 ZINC000019414473 188280886 /nfs/dbraw/zinc/28/08/86/188280886.db2.gz IHGXJXBRWZXTCP-CQSZACIVSA-N 0 1 249.260 3.022 10 0 BGAEMN COc1ccc([C@H](N)c2c(F)cccc2F)cc1 ZINC000019414478 175192893 /nfs/dbraw/zinc/19/28/93/175192893.db2.gz IHGXJXBRWZXTCP-AWEZNQCLSA-N 0 1 249.260 3.022 10 0 BGAEMN CC[C@H](C)[C@@H](N)c1nc2ccccc2s1 ZINC000019440386 171372725 /nfs/dbraw/zinc/37/27/25/171372725.db2.gz JFHXZXVDRRNUOV-GZMMTYOYSA-N 0 1 220.341 3.342 10 0 BGAEMN CC[C@H](C)[C@H](N)c1nc2ccccc2s1 ZINC000019440390 171398052 /nfs/dbraw/zinc/39/80/52/171398052.db2.gz JFHXZXVDRRNUOV-KWQFWETISA-N 0 1 220.341 3.342 10 0 BGAEMN CC(C)C[C@@H](N)c1nc2ccccc2s1 ZINC000019476420 188002441 /nfs/dbraw/zinc/00/24/41/188002441.db2.gz QKPNZZNCUYPOAZ-SECBINFHSA-N 0 1 220.341 3.342 10 0 BGAEMN Cc1ccccc1Cc1nc2ccc(N)cc2[nH]1 ZINC000019807331 179293241 /nfs/dbraw/zinc/29/32/41/179293241.db2.gz YDNKRRIFNUMPPA-UHFFFAOYSA-N 0 1 237.306 3.044 10 0 BGAEMN CCCOc1ccc(-c2csc(CN)n2)cc1 ZINC000019817737 169316547 /nfs/dbraw/zinc/31/65/47/169316547.db2.gz DQJUKZBFVODGMM-UHFFFAOYSA-N 0 1 248.351 3.058 10 0 BGAEMN CC(C)Oc1ccc(-c2csc(CN)n2)cc1 ZINC000019817763 167287496 /nfs/dbraw/zinc/28/74/96/167287496.db2.gz HRWFISLECAIYBD-UHFFFAOYSA-N 0 1 248.351 3.056 10 0 BGAEMN CCC(C)(C)[C@@H]1CCc2nc(CN)sc2C1 ZINC000019817796 168304100 /nfs/dbraw/zinc/30/41/00/168304100.db2.gz ZXTWDZMCIRBKRI-SECBINFHSA-N 0 1 238.400 3.143 10 0 BGAEMN CCC(C)(C)[C@H]1CCc2nc(CN)sc2C1 ZINC000019817799 168305587 /nfs/dbraw/zinc/30/55/87/168305587.db2.gz ZXTWDZMCIRBKRI-VIFPVBQESA-N 0 1 238.400 3.143 10 0 BGAEMN O=C([O-])c1cc[nH+]c(NC2CCCCCCC2)c1 ZINC000019844857 182585555 /nfs/dbraw/zinc/58/55/55/182585555.db2.gz XJLDOUOORMAXAP-UHFFFAOYSA-N 0 1 248.326 3.305 10 0 BGAEMN C[C@@H]1CCC[C@@H](Nc2cc(C(=O)[O-])cc[nH+]2)[C@@H]1C ZINC000019844993 176124260 /nfs/dbraw/zinc/12/42/60/176124260.db2.gz NUSXEUYCSFLPOB-CKYFFXLPSA-N 0 1 248.326 3.016 10 0 BGAEMN C[C@H]1[C@H](Nc2cc(C(=O)[O-])cc[nH+]2)CCC[C@@H]1C ZINC000019844994 188174374 /nfs/dbraw/zinc/17/43/74/188174374.db2.gz NUSXEUYCSFLPOB-HOSYDEDBSA-N 0 1 248.326 3.016 10 0 BGAEMN C[C@@H]1CCC[C@H](Nc2cc(C(=O)[O-])cc[nH+]2)[C@@H]1C ZINC000019844995 176145196 /nfs/dbraw/zinc/14/51/96/176145196.db2.gz NUSXEUYCSFLPOB-FOGDFJRCSA-N 0 1 248.326 3.016 10 0 BGAEMN C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000019844996 177137984 /nfs/dbraw/zinc/13/79/84/177137984.db2.gz NUSXEUYCSFLPOB-UMNHJUIQSA-N 0 1 248.326 3.016 10 0 BGAEMN Cc1nc([C@H](N)c2ccccc2C)sc1C ZINC000019930103 179325399 /nfs/dbraw/zinc/32/53/99/179325399.db2.gz GWLANALMSOFROP-GFCCVEGCSA-N 0 1 232.352 3.116 10 0 BGAEMN Cc1nc([C@@H](N)c2ccccc2C)sc1C ZINC000019930105 179343036 /nfs/dbraw/zinc/34/30/36/179343036.db2.gz GWLANALMSOFROP-LBPRGKRZSA-N 0 1 232.352 3.116 10 0 BGAEMN Cc1ccccc1[C@H](C)NCc1ccccn1 ZINC000019957645 179338969 /nfs/dbraw/zinc/33/89/69/179338969.db2.gz GUGVTVJLIXSRBU-ZDUSSCGKSA-N 0 1 226.323 3.241 10 0 BGAEMN CCc1ccc([C@@H](C)NCc2ccccn2)cc1 ZINC000019957985 171831296 /nfs/dbraw/zinc/83/12/96/171831296.db2.gz OQNMQQKQNKJJFZ-CYBMUJFWSA-N 0 1 240.350 3.495 10 0 BGAEMN CCc1ccc([C@H](C)NCc2ccccn2)cc1 ZINC000019957989 397962805 /nfs/dbraw/zinc/96/28/05/397962805.db2.gz OQNMQQKQNKJJFZ-ZDUSSCGKSA-N 0 1 240.350 3.495 10 0 BGAEMN COc1ccccc1[C@@H](N)c1ccc(F)cc1F ZINC000019968946 175347554 /nfs/dbraw/zinc/34/75/54/175347554.db2.gz XXIGCKGBWWATAP-AWEZNQCLSA-N 0 1 249.260 3.022 10 0 BGAEMN COc1ccccc1[C@H](N)c1ccc(F)cc1F ZINC000019968947 175353410 /nfs/dbraw/zinc/35/34/10/175353410.db2.gz XXIGCKGBWWATAP-CQSZACIVSA-N 0 1 249.260 3.022 10 0 BGAEMN COc1ccccc1[C@@H](N)c1cc(F)ccc1F ZINC000019969453 175346884 /nfs/dbraw/zinc/34/68/84/175346884.db2.gz NGIKQALPPCODGU-CQSZACIVSA-N 0 1 249.260 3.022 10 0 BGAEMN COc1ccccc1[C@H](N)c1cc(F)ccc1F ZINC000019969454 175352992 /nfs/dbraw/zinc/35/29/92/175352992.db2.gz NGIKQALPPCODGU-AWEZNQCLSA-N 0 1 249.260 3.022 10 0 BGAEMN COc1ccccc1[C@@H](N)c1ccc(C)s1 ZINC000019969825 175346967 /nfs/dbraw/zinc/34/69/67/175346967.db2.gz VAUGNKVKHBHWJQ-CYBMUJFWSA-N 0 1 233.336 3.113 10 0 BGAEMN COc1ccccc1[C@H](N)c1ccc(C)s1 ZINC000019969826 175353223 /nfs/dbraw/zinc/35/32/23/175353223.db2.gz VAUGNKVKHBHWJQ-ZDUSSCGKSA-N 0 1 233.336 3.113 10 0 BGAEMN Cc1cc(F)ccc1N1Cc2ccccc2C1=N ZINC000020078815 178088698 /nfs/dbraw/zinc/08/86/98/178088698.db2.gz VHWXVCYUDVGHRV-UHFFFAOYSA-N 0 1 240.281 3.480 10 0 BGAEMN Cc1ccccc1N1Cc2ccccc2C1=N ZINC000020078873 179297676 /nfs/dbraw/zinc/29/76/76/179297676.db2.gz QDUUNUMYVBXBDF-UHFFFAOYSA-N 0 1 222.291 3.341 10 0 BGAEMN C[C@@H](NCc1ccncc1)c1ccc(F)c(F)c1 ZINC000020140085 356998439 /nfs/dbraw/zinc/99/84/39/356998439.db2.gz DAFPFLZSFMBDBM-SNVBAGLBSA-N 0 1 248.276 3.211 10 0 BGAEMN C[C@H](NCc1ccncc1)c1ccc(F)c(F)c1 ZINC000020140087 387074869 /nfs/dbraw/zinc/07/48/69/387074869.db2.gz DAFPFLZSFMBDBM-JTQLQIEISA-N 0 1 248.276 3.211 10 0 BGAEMN CC(C)(C)c1ccc(-c2cc(CN)no2)cc1 ZINC000020270358 188108592 /nfs/dbraw/zinc/10/85/92/188108592.db2.gz PXWOBWQUSVNVNU-UHFFFAOYSA-N 0 1 230.311 3.098 10 0 BGAEMN CC(C)(C)c1ccc(-c2cc(C=O)[nH]n2)cc1 ZINC000020270482 188108484 /nfs/dbraw/zinc/10/84/84/188108484.db2.gz LBABSBWGECINKB-UHFFFAOYSA-N 0 1 228.295 3.187 10 0 BGAEMN CCn1nccc1[C@@H](C)NCc1cccc(C)c1 ZINC000020349495 523745169 /nfs/dbraw/zinc/74/51/69/523745169.db2.gz DEGBMTGZVSHMHK-CYBMUJFWSA-N 0 1 243.354 3.062 10 0 BGAEMN CCn1nccc1[C@H](C)NCc1cccc(C)c1 ZINC000020349496 172276914 /nfs/dbraw/zinc/27/69/14/172276914.db2.gz DEGBMTGZVSHMHK-ZDUSSCGKSA-N 0 1 243.354 3.062 10 0 BGAEMN CC(C)(C)[C@@H](N)c1cc2ccccc2o1 ZINC000020369176 538931515 /nfs/dbraw/zinc/93/15/15/538931515.db2.gz HCZYBPRSKCZGRB-LBPRGKRZSA-N 0 1 203.285 3.479 10 0 BGAEMN CC(C)(C)[C@H](N)c1cc2ccccc2o1 ZINC000020369179 538931451 /nfs/dbraw/zinc/93/14/51/538931451.db2.gz HCZYBPRSKCZGRB-GFCCVEGCSA-N 0 1 203.285 3.479 10 0 BGAEMN CCC(=O)C=C(O)c1ccc2ccccc2c1 ZINC000020375728 168198952 /nfs/dbraw/zinc/19/89/52/168198952.db2.gz FRIFIZGYCWYQPH-UHFFFAOYSA-N 0 1 226.275 3.392 10 0 BGAEMN CCC(=O)C=C(O)c1ccc(CC(C)C)cc1 ZINC000020375747 168198921 /nfs/dbraw/zinc/19/89/21/168198921.db2.gz ZSBMELCXUYMPSY-UHFFFAOYSA-N 0 1 232.323 3.437 10 0 BGAEMN CCC(=O)C=C(O)c1c(C)cc(C)cc1C ZINC000020375882 168198374 /nfs/dbraw/zinc/19/83/74/168198374.db2.gz WUVIDYPWQMNWLV-UHFFFAOYSA-N 0 1 218.296 3.164 10 0 BGAEMN COc1ccc(F)cc1[C@@H](N)c1ccccc1F ZINC000020470519 175132199 /nfs/dbraw/zinc/13/21/99/175132199.db2.gz XXABYJICDAHUSV-AWEZNQCLSA-N 0 1 249.260 3.022 10 0 BGAEMN COc1ccc(F)cc1[C@H](N)c1ccccc1F ZINC000020470520 175134574 /nfs/dbraw/zinc/13/45/74/175134574.db2.gz XXABYJICDAHUSV-CQSZACIVSA-N 0 1 249.260 3.022 10 0 BGAEMN C[C@@H]1CCCC[C@@H]1n1c(N)nc2ccccc21 ZINC000020586106 176083441 /nfs/dbraw/zinc/08/34/41/176083441.db2.gz QXHVSYILMOCXMX-PWSUYJOCSA-N 0 1 229.327 3.370 10 0 BGAEMN C[C@H]1CCCC[C@@H]1n1c(N)nc2ccccc21 ZINC000020586107 177084480 /nfs/dbraw/zinc/08/44/80/177084480.db2.gz QXHVSYILMOCXMX-JQWIXIFHSA-N 0 1 229.327 3.370 10 0 BGAEMN C[C@@H]1CCCC[C@H]1n1c(N)nc2ccccc21 ZINC000020586108 176090140 /nfs/dbraw/zinc/09/01/40/176090140.db2.gz QXHVSYILMOCXMX-ZYHUDNBSSA-N 0 1 229.327 3.370 10 0 BGAEMN C[C@H]1CCCC[C@H]1n1c(N)nc2ccccc21 ZINC000020586109 177090330 /nfs/dbraw/zinc/09/03/30/177090330.db2.gz QXHVSYILMOCXMX-CMPLNLGQSA-N 0 1 229.327 3.370 10 0 BGAEMN Cc1ccc(-n2c(N)nc3ccccc32)c(C)c1 ZINC000020586161 178345855 /nfs/dbraw/zinc/34/58/55/178345855.db2.gz QBJIVSVDXVQYEZ-UHFFFAOYSA-N 0 1 237.306 3.225 10 0 BGAEMN Cc1ccc(-n2c(C3CC3)n[nH]c2=S)c(F)c1 ZINC000020590836 178346207 /nfs/dbraw/zinc/34/62/07/178346207.db2.gz NKRIWQCRBYZMLJ-UHFFFAOYSA-N 0 1 249.314 3.255 10 0 BGAEMN CN(C)Cc1ccc(-c2ccccc2)cc1C=O ZINC000021988793 397992760 /nfs/dbraw/zinc/99/27/60/397992760.db2.gz LDMSHKKVLMUHIC-UHFFFAOYSA-N 0 1 239.318 3.228 10 0 BGAEMN CCCC[P@@H](=O)OCc1ccccc1 ZINC000021993419 169015751 /nfs/dbraw/zinc/01/57/51/169015751.db2.gz KIPRTGDZDBDHFV-UHFFFAOYSA-N 0 1 212.229 3.478 10 0 BGAEMN CCCc1noc(-c2ccc(Cl)cc2O)n1 ZINC000022611215 343052395 /nfs/dbraw/zinc/05/23/95/343052395.db2.gz FKQRFDHXEFQSEL-UHFFFAOYSA-N 0 1 238.674 3.048 10 0 BGAEMN CC(=O)Nc1ccc2nc(SC(C)C)[nH]c2c1 ZINC000026440392 134597720 /nfs/dbraw/zinc/59/77/20/134597720.db2.gz KFOPOUWWPHRDAX-UHFFFAOYSA-N 0 1 249.339 3.022 10 0 BGAEMN CC(=O)C=C(O)c1ccc(C(C)(C)C)cc1 ZINC000026514574 363537976 /nfs/dbraw/zinc/53/79/76/363537976.db2.gz RECKYPXSRZFZJV-UHFFFAOYSA-N 0 1 218.296 3.146 10 0 BGAEMN CCc1cccc(-c2nc3ccc(C)cc3[nH]2)n1 ZINC000027851774 384224218 /nfs/dbraw/zinc/22/42/18/384224218.db2.gz RCWDZAHVTLLVMC-UHFFFAOYSA-N 0 1 237.306 3.496 10 0 BGAEMN CCc1ccc(-c2nc3ccc(C)cc3[nH]2)nc1 ZINC000027866602 344314411 /nfs/dbraw/zinc/31/44/11/344314411.db2.gz RMABSJWHRITAHV-UHFFFAOYSA-N 0 1 237.306 3.496 10 0 BGAEMN C[C@@]12N[C@@H](Cc3ccc(F)cc31)c1ccccc12 ZINC000027892655 344314822 /nfs/dbraw/zinc/31/48/22/344314822.db2.gz AQCDEBMTYPJJSD-HOTGVXAUSA-N 0 1 239.293 3.290 10 0 BGAEMN Nc1c2cccc(Cl)c2nc2c1CCCC2 ZINC000027993222 343140668 /nfs/dbraw/zinc/14/06/68/343140668.db2.gz DREAHDLCWZKIJL-UHFFFAOYSA-N 0 1 232.714 3.349 10 0 in-vivo BGAEMN CCCCCc1nc2ccc(NC(C)=O)cc2[nH]1 ZINC000028000474 344324481 /nfs/dbraw/zinc/32/44/81/344324481.db2.gz JOGVEJFWNMYIGL-UHFFFAOYSA-N 0 1 245.326 3.254 10 0 BGAEMN O=C(c1ccc(Cl)cc1)c1ccccc1O ZINC000028760524 344413509 /nfs/dbraw/zinc/41/35/09/344413509.db2.gz PYTMYNQWASSKJH-UHFFFAOYSA-N 0 1 232.666 3.277 10 0 BGAEMN CCc1ccc(C(=O)c2cccc(F)c2)c(O)c1 ZINC000028760845 344413455 /nfs/dbraw/zinc/41/34/55/344413455.db2.gz BHNLPBBNKQGNGV-UHFFFAOYSA-N 0 1 244.265 3.325 10 0 BGAEMN CCc1ccc(C(=O)c2ccc(F)cc2)c(O)c1 ZINC000028760847 344413496 /nfs/dbraw/zinc/41/34/96/344413496.db2.gz UUIMUQJSMVMYFR-UHFFFAOYSA-N 0 1 244.265 3.325 10 0 BGAEMN Cc1ccc(C(=O)c2ccc(F)cc2)c(O)c1 ZINC000028760849 187255597 /nfs/dbraw/zinc/25/55/97/187255597.db2.gz LODWUUYODUVUHX-UHFFFAOYSA-N 0 1 230.238 3.071 10 0 BGAEMN CCc1ccc(O)c(C(=O)c2cccs2)c1 ZINC000028762157 384643686 /nfs/dbraw/zinc/64/36/86/384643686.db2.gz LSUUHCDZUAYDCH-UHFFFAOYSA-N 0 1 232.304 3.247 10 0 BGAEMN c1nc2c(ccnc2SCc2ccccc2)[nH]1 ZINC000029221710 384985273 /nfs/dbraw/zinc/98/52/73/384985273.db2.gz GGWNSGJPHNTMSV-UHFFFAOYSA-N 0 1 241.319 3.250 10 0 BGAEMN CCC(=O)C(C)=C(O)[C@@H](C)CC=C(C)C ZINC000031372541 168251445 /nfs/dbraw/zinc/25/14/45/168251445.db2.gz IJGCQHHZHDMDOD-WDEREUQCSA-N 0 1 210.317 3.163 10 0 BGAEMN CCC(=O)C(C)=C(O)[C@@H](C)CC=C(C)C ZINC000031372544 168252794 /nfs/dbraw/zinc/25/27/94/168252794.db2.gz IJGCQHHZHDMDOD-QWRGUYRKSA-N 0 1 210.317 3.163 10 0 BGAEMN CCC(=O)C(C)=C(O)[C@H](C)CC=C(C)C ZINC000031372546 168251450 /nfs/dbraw/zinc/25/14/50/168251450.db2.gz IJGCQHHZHDMDOD-GHMZBOCLSA-N 0 1 210.317 3.163 10 0 BGAEMN CCC(=O)C(C)=C(O)[C@H](C)CC=C(C)C ZINC000031372549 168252775 /nfs/dbraw/zinc/25/27/75/168252775.db2.gz IJGCQHHZHDMDOD-MNOVXSKESA-N 0 1 210.317 3.163 10 0 BGAEMN CC(C)=CC[C@@H](C)C(O)=C(C)C(=O)C(C)C ZINC000031374182 188181371 /nfs/dbraw/zinc/18/13/71/188181371.db2.gz VNEFXHWAHYWLHU-NEPJUHHUSA-N 0 1 224.344 3.409 10 0 BGAEMN CC(C)c1ccc([C@H]2NCCn3cccc32)cc1 ZINC000031889884 352600234 /nfs/dbraw/zinc/60/02/34/352600234.db2.gz PLJYDJWOFNBYNL-MRXNPFEDSA-N 0 1 240.350 3.304 10 0 BGAEMN CCCNc1ccc(N(CC)CC)cc1 ZINC000032011641 169294858 /nfs/dbraw/zinc/29/48/58/169294858.db2.gz CNDBTBRIMOTNAQ-UHFFFAOYSA-N 0 1 206.333 3.355 10 0 BGAEMN CC(C)[C@@H](N)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000032089717 167419505 /nfs/dbraw/zinc/41/95/05/167419505.db2.gz QRUHIHHOHVSJRZ-CYBMUJFWSA-N 0 1 233.355 3.150 10 0 BGAEMN Cc1cc(N)c2cc(Cl)cc(C)c2n1 ZINC000032099410 178104060 /nfs/dbraw/zinc/10/40/60/178104060.db2.gz IPOIRDZLFFYDGX-UHFFFAOYSA-N 0 1 206.676 3.087 10 0 BGAEMN Cc1cc(Cl)c2nc(C)cc(N)c2c1 ZINC000032099440 178062618 /nfs/dbraw/zinc/06/26/18/178062618.db2.gz AYANOFUQUNPWCS-UHFFFAOYSA-N 0 1 206.676 3.087 10 0 BGAEMN COc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1 ZINC000032264357 175040999 /nfs/dbraw/zinc/04/09/99/175040999.db2.gz XWALBVFWCNKGRZ-UHFFFAOYSA-N 0 1 242.200 3.104 10 0 BGAEMN CCC(CC)(c1cccs1)N1CCOCC1 ZINC000032602575 168332865 /nfs/dbraw/zinc/33/28/65/168332865.db2.gz TVEAOMRVPPGQSM-UHFFFAOYSA-N 0 1 239.384 3.096 10 0 BGAEMN Oc1ccc(Cl)c(Cl)c1Br ZINC000033506638 183271544 /nfs/dbraw/zinc/27/15/44/183271544.db2.gz GNWKBOXWJIRYCL-UHFFFAOYSA-N 0 1 241.899 3.462 10 0 BGAEMN CCNCc1ncc(-c2ccccc2Cl)o1 ZINC000033853296 170131993 /nfs/dbraw/zinc/13/19/93/170131993.db2.gz KRKWHPYSWPRTLL-UHFFFAOYSA-N 0 1 236.702 3.105 10 0 BGAEMN CCNCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000033853315 170131848 /nfs/dbraw/zinc/13/18/48/170131848.db2.gz SNUVNZXOVZYQSB-UHFFFAOYSA-N 0 1 236.702 3.105 10 0 BGAEMN O=C1CNc2cc(Cl)c(Br)cc21 ZINC000034028138 183255532 /nfs/dbraw/zinc/25/55/32/183255532.db2.gz OVFKANZUPPZLTR-UHFFFAOYSA-N 0 1 246.491 3.289 10 0 BGAEMN c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000034077909 187766394 /nfs/dbraw/zinc/76/63/94/187766394.db2.gz KCPDTSRPPDALMQ-UHFFFAOYSA-N 0 1 210.236 3.355 10 0 BGAEMN FC(F)(F)c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000034184348 385272718 /nfs/dbraw/zinc/27/27/18/385272718.db2.gz BAYABIISFGLOJI-UHFFFAOYSA-N 0 1 247.607 3.144 10 0 BGAEMN Cc1nc2c(cc(Br)c(C)c2C)[nH]1 ZINC000034440635 180063498 /nfs/dbraw/zinc/06/34/98/180063498.db2.gz RIDBPGUODWFFGV-UHFFFAOYSA-N 0 1 239.116 3.251 10 0 BGAEMN CSc1nc(-c2ccc3ccccc3c2)n[nH]1 ZINC000034456225 345833990 /nfs/dbraw/zinc/83/39/90/345833990.db2.gz KFEVKTZDFJJNPP-UHFFFAOYSA-N 0 1 241.319 3.347 10 0 BGAEMN Clc1ccc2nc(-c3cccnc3)[nH]c2c1 ZINC000034606537 355850499 /nfs/dbraw/zinc/85/04/99/355850499.db2.gz CSCZCHYKBHZJPJ-UHFFFAOYSA-N 0 1 229.670 3.278 10 0 BGAEMN CN1C[C@@H]2C[C@]2(c2ccc(Cl)cc2Cl)C1 ZINC000034894435 173189635 /nfs/dbraw/zinc/18/96/35/173189635.db2.gz NINMSEOZKXYKQY-UFBFGSQYSA-N 0 1 242.149 3.197 10 0 BGAEMN Clc1ccc2oc([C@@H]3CCCCN3)nc2c1 ZINC000034939391 351355459 /nfs/dbraw/zinc/35/54/59/351355459.db2.gz GXIPAJHVVPESES-VIFPVBQESA-N 0 1 236.702 3.296 10 0 BGAEMN N[C@@H](Cc1ccc2ccccc2n1)c1ccco1 ZINC000034940404 351356857 /nfs/dbraw/zinc/35/68/57/351356857.db2.gz BKAGGXOSJPFBAG-ZDUSSCGKSA-N 0 1 238.290 3.070 10 0 BGAEMN N[C@H](Cc1ccc2ccccc2n1)c1ccco1 ZINC000034940405 351356609 /nfs/dbraw/zinc/35/66/09/351356609.db2.gz BKAGGXOSJPFBAG-CYBMUJFWSA-N 0 1 238.290 3.070 10 0 BGAEMN Cc1nnc(-c2c(Cl)cccc2Cl)[nH]1 ZINC000034979032 351369829 /nfs/dbraw/zinc/36/98/29/351369829.db2.gz ASKKZRKUTQZWBJ-UHFFFAOYSA-N 0 1 228.082 3.087 10 0 BGAEMN Cc1ccc(C(=O)CN2CCCCCC2)cc1 ZINC000034981369 178373018 /nfs/dbraw/zinc/37/30/18/178373018.db2.gz AJJNHVCBFOXXBU-UHFFFAOYSA-N 0 1 231.339 3.054 10 0 BGAEMN Cc1ccc(C(=O)CN2CCCCCC2)cc1C ZINC000034981370 178373025 /nfs/dbraw/zinc/37/30/25/178373025.db2.gz ZSMASTMEPUYMME-UHFFFAOYSA-N 0 1 245.366 3.362 10 0 BGAEMN Cc1ccc(C(=O)CN2CCCCCC2)c(C)c1 ZINC000034981378 178373080 /nfs/dbraw/zinc/37/30/80/178373080.db2.gz NKLPVZDAFVLDEK-UHFFFAOYSA-N 0 1 245.366 3.362 10 0 BGAEMN CN1C[C@@H]2C[C@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC000034986879 173189442 /nfs/dbraw/zinc/18/94/42/173189442.db2.gz MBFDPIYMOIZLLZ-JOYOIKCWSA-N 0 1 242.149 3.197 10 0 BGAEMN CN1C[C@H]2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC000034986880 173199763 /nfs/dbraw/zinc/19/97/63/173199763.db2.gz MBFDPIYMOIZLLZ-SKDRFNHKSA-N 0 1 242.149 3.197 10 0 BGAEMN CCCN(CCC)CC(=O)c1ccc(F)cc1 ZINC000034989385 169146860 /nfs/dbraw/zinc/14/68/60/169146860.db2.gz ZBJVESOOXQXNSW-UHFFFAOYSA-N 0 1 237.318 3.130 10 0 BGAEMN Cc1cc(C)c(CNCc2ccccn2)cc1C ZINC000034990972 385690292 /nfs/dbraw/zinc/69/02/92/385690292.db2.gz KFZXEBRIBZBYDF-UHFFFAOYSA-N 0 1 240.350 3.297 10 0 BGAEMN C[C@@H](C(=O)c1ccccc1)N1CCCCCC1 ZINC000035020334 343142515 /nfs/dbraw/zinc/14/25/15/343142515.db2.gz PKLXXRJADVQNCF-ZDUSSCGKSA-N 0 1 231.339 3.134 10 0 BGAEMN C[C@H](C(=O)c1ccccc1)N1CCCCCC1 ZINC000035020336 343142432 /nfs/dbraw/zinc/14/24/32/343142432.db2.gz PKLXXRJADVQNCF-CYBMUJFWSA-N 0 1 231.339 3.134 10 0 BGAEMN C[C@@H](C(=O)c1ccccc1)N1C[C@H](C)C[C@H](C)C1 ZINC000035021756 177315290 /nfs/dbraw/zinc/31/52/90/177315290.db2.gz FVSDIZIFFLFTEW-MJBXVCDLSA-N 0 1 245.366 3.236 10 0 BGAEMN CNCc1c(Cl)ccc(Cl)c1Cl ZINC000035055021 343283724 /nfs/dbraw/zinc/28/37/24/343283724.db2.gz FOEQZTIGKGOQCC-UHFFFAOYSA-N 0 1 224.518 3.366 10 0 BGAEMN Cc1ccoc1[C@H](N)c1ccc(OC(C)C)cc1 ZINC000035081727 179532260 /nfs/dbraw/zinc/53/22/60/179532260.db2.gz MKLXHYYQRJUCDN-CQSZACIVSA-N 0 1 245.322 3.423 10 0 BGAEMN Cc1cc(CN[C@@H](C)c2ccco2)cc(C)c1O ZINC000035137016 178031735 /nfs/dbraw/zinc/03/17/35/178031735.db2.gz VSEPOUPWXMUVRX-LBPRGKRZSA-N 0 1 245.322 3.453 10 0 BGAEMN Cc1cc(CN[C@H](C)c2ccco2)cc(C)c1O ZINC000035137018 178038579 /nfs/dbraw/zinc/03/85/79/178038579.db2.gz VSEPOUPWXMUVRX-GFCCVEGCSA-N 0 1 245.322 3.453 10 0 BGAEMN N=C1CCCN1c1cc(Cl)ccc1F ZINC000035284670 356474324 /nfs/dbraw/zinc/47/43/24/356474324.db2.gz UTUDGXXNFIKBNV-UHFFFAOYSA-N 0 1 212.655 3.057 10 0 BGAEMN CC[C@H](C)Nc1ccc(N)c2cnccc12 ZINC000035332459 171349945 /nfs/dbraw/zinc/34/99/45/171349945.db2.gz NHLSUTQGAPZQHL-VIFPVBQESA-N 0 1 215.300 3.027 10 0 BGAEMN CCC(CC)Nc1ccc(N)c2cnccc12 ZINC000035332471 168393578 /nfs/dbraw/zinc/39/35/78/168393578.db2.gz ZIBKAINSXPFCPT-UHFFFAOYSA-N 0 1 229.327 3.418 10 0 BGAEMN CCC[C@@H](C)Nc1ccc(N)c2cnccc12 ZINC000035332511 169371515 /nfs/dbraw/zinc/37/15/15/169371515.db2.gz FDCMHJWLQJIZJT-SNVBAGLBSA-N 0 1 229.327 3.418 10 0 BGAEMN Nc1ccc(NCc2ccccc2)c2ccncc12 ZINC000035332522 357186654 /nfs/dbraw/zinc/18/66/54/357186654.db2.gz XCRUEYULEPWTIB-UHFFFAOYSA-N 0 1 249.317 3.429 10 0 BGAEMN CC(C)[C@@H](C)Nc1ccc(N)c2cnccc12 ZINC000035332665 167386354 /nfs/dbraw/zinc/38/63/54/167386354.db2.gz RVLNARLCDRJYHI-SNVBAGLBSA-N 0 1 229.327 3.273 10 0 BGAEMN CC(C)[C@H](C)Nc1ccc(N)c2cnccc12 ZINC000035332668 188284507 /nfs/dbraw/zinc/28/45/07/188284507.db2.gz RVLNARLCDRJYHI-JTQLQIEISA-N 0 1 229.327 3.273 10 0 BGAEMN CCC(C)(C)Nc1ccc(N)c2cnccc12 ZINC000035332681 168303144 /nfs/dbraw/zinc/30/31/44/168303144.db2.gz VISKFPHZFHUKPZ-UHFFFAOYSA-N 0 1 229.327 3.418 10 0 BGAEMN Cc1ccc([C@H](N)c2cccs2)s1 ZINC000035379698 357210649 /nfs/dbraw/zinc/21/06/49/357210649.db2.gz NVPXJBGOZNZYRD-SNVBAGLBSA-N 0 1 209.339 3.166 10 0 BGAEMN Cc1ccc([C@@H](N)c2cccs2)s1 ZINC000035379700 387653024 /nfs/dbraw/zinc/65/30/24/387653024.db2.gz NVPXJBGOZNZYRD-JTQLQIEISA-N 0 1 209.339 3.166 10 0 BGAEMN Cc1cc([C@H](N)c2cccs2)c(C)o1 ZINC000035379705 178263011 /nfs/dbraw/zinc/26/30/11/178263011.db2.gz JQDNBTBDWUHWEB-NSHDSACASA-N 0 1 207.298 3.006 10 0 BGAEMN Cc1cc([C@@H](N)c2cccs2)c(C)o1 ZINC000035379706 178237752 /nfs/dbraw/zinc/23/77/52/178237752.db2.gz JQDNBTBDWUHWEB-LLVKDONJSA-N 0 1 207.298 3.006 10 0 BGAEMN CCOc1ccc([C@@H](N)c2ccc(C)o2)cc1 ZINC000035379771 170558679 /nfs/dbraw/zinc/55/86/79/170558679.db2.gz ZETZURIZUMQAAL-CQSZACIVSA-N 0 1 231.295 3.035 10 0 BGAEMN Cc1cc([C@H](N)c2ccc(F)cc2F)c(C)o1 ZINC000035380236 178263261 /nfs/dbraw/zinc/26/32/61/178263261.db2.gz WQAQEAKYDMLAPD-CYBMUJFWSA-N 0 1 237.249 3.223 10 0 BGAEMN Cc1cc([C@@H](N)c2ccc(F)cc2F)c(C)o1 ZINC000035380239 178237645 /nfs/dbraw/zinc/23/76/45/178237645.db2.gz WQAQEAKYDMLAPD-ZDUSSCGKSA-N 0 1 237.249 3.223 10 0 BGAEMN Cc1cc([C@H](N)c2cc(F)ccc2F)c(C)o1 ZINC000035380331 178262020 /nfs/dbraw/zinc/26/20/20/178262020.db2.gz WWERCCNIEOTTGM-ZDUSSCGKSA-N 0 1 237.249 3.223 10 0 BGAEMN Cc1cc([C@@H](N)c2cc(F)ccc2F)c(C)o1 ZINC000035380334 178238072 /nfs/dbraw/zinc/23/80/72/178238072.db2.gz WWERCCNIEOTTGM-CYBMUJFWSA-N 0 1 237.249 3.223 10 0 BGAEMN Cc1ccc([C@H](N)c2ccoc2C)s1 ZINC000035380430 357211628 /nfs/dbraw/zinc/21/16/28/357211628.db2.gz UDHBNVZCXUKAOW-LLVKDONJSA-N 0 1 207.298 3.006 10 0 BGAEMN Cc1ccc([C@@H](N)c2ccoc2C)s1 ZINC000035380432 387652784 /nfs/dbraw/zinc/65/27/84/387652784.db2.gz UDHBNVZCXUKAOW-NSHDSACASA-N 0 1 207.298 3.006 10 0 BGAEMN CCc1ccc([C@H](N)c2cccs2)s1 ZINC000035380854 357211292 /nfs/dbraw/zinc/21/12/92/357211292.db2.gz DKARFUQYLYMASR-LLVKDONJSA-N 0 1 223.366 3.420 10 0 BGAEMN CCc1ccc([C@@H](N)c2cccs2)s1 ZINC000035380856 357211157 /nfs/dbraw/zinc/21/11/57/357211157.db2.gz DKARFUQYLYMASR-NSHDSACASA-N 0 1 223.366 3.420 10 0 BGAEMN N[C@H](c1ccoc1)c1ccc(Cl)s1 ZINC000035381237 181634600 /nfs/dbraw/zinc/63/46/00/181634600.db2.gz RRWVYCSMQRWWRR-SECBINFHSA-N 0 1 213.689 3.043 10 0 BGAEMN N[C@@H](c1ccoc1)c1ccc(Cl)s1 ZINC000035381239 357211512 /nfs/dbraw/zinc/21/15/12/357211512.db2.gz RRWVYCSMQRWWRR-VIFPVBQESA-N 0 1 213.689 3.043 10 0 BGAEMN Cc1occc1[C@H](N)c1ccc(Cl)s1 ZINC000035381265 357211712 /nfs/dbraw/zinc/21/17/12/357211712.db2.gz KGKGUVXRTCXEQL-JTQLQIEISA-N 0 1 227.716 3.351 10 0 BGAEMN Cc1occc1[C@@H](N)c1ccc(Cl)s1 ZINC000035381267 357211245 /nfs/dbraw/zinc/21/12/45/357211245.db2.gz KGKGUVXRTCXEQL-SNVBAGLBSA-N 0 1 227.716 3.351 10 0 BGAEMN CC(C)Oc1ccc([C@H](N)c2ccco2)cc1 ZINC000035381441 167300490 /nfs/dbraw/zinc/30/04/90/167300490.db2.gz LJRBBUMLDJUBAA-AWEZNQCLSA-N 0 1 231.295 3.115 10 0 BGAEMN CC(C)Oc1ccc([C@@H](N)c2ccco2)cc1 ZINC000035381442 167299296 /nfs/dbraw/zinc/29/92/96/167299296.db2.gz LJRBBUMLDJUBAA-CQSZACIVSA-N 0 1 231.295 3.115 10 0 BGAEMN CC(C)(C)[C@H](N)c1nc2ccccc2n1C1CC1 ZINC000035411258 188111938 /nfs/dbraw/zinc/11/19/38/188111938.db2.gz RZIYCEYNEDDCNW-CYBMUJFWSA-N 0 1 243.354 3.417 10 0 BGAEMN CC[C@H](N)c1nc2cc(Cl)ccc2s1 ZINC000035411278 387713519 /nfs/dbraw/zinc/71/35/19/387713519.db2.gz YDUKIOKIILOIGE-ZETCQYMHSA-N 0 1 226.732 3.360 10 0 BGAEMN CC[C@@H](N)c1nc2cc(Cl)ccc2s1 ZINC000035411279 387714143 /nfs/dbraw/zinc/71/41/43/387714143.db2.gz YDUKIOKIILOIGE-SSDOTTSWSA-N 0 1 226.732 3.360 10 0 BGAEMN CC[C@H](N)c1nc2cccc(Cl)c2s1 ZINC000035411308 387714308 /nfs/dbraw/zinc/71/43/08/387714308.db2.gz AWRVFNNFFAFQJO-ZETCQYMHSA-N 0 1 226.732 3.360 10 0 BGAEMN CC[C@@H](N)c1nc2cccc(Cl)c2s1 ZINC000035411309 387714321 /nfs/dbraw/zinc/71/43/21/387714321.db2.gz AWRVFNNFFAFQJO-SSDOTTSWSA-N 0 1 226.732 3.360 10 0 BGAEMN CN[C@@H](c1ccco1)c1ccc2c(c1)CCCC2 ZINC000035459962 173456598 /nfs/dbraw/zinc/45/65/98/173456598.db2.gz BYAHYZYYDCQBPR-MRXNPFEDSA-N 0 1 241.334 3.467 10 0 BGAEMN CN[C@@H](c1ccccc1)c1c(F)cccc1F ZINC000035465174 173429835 /nfs/dbraw/zinc/42/98/35/173429835.db2.gz HBEYZAVXHXJSNV-AWEZNQCLSA-N 0 1 233.261 3.274 10 0 BGAEMN CN[C@@H](c1occc1C)c1ccc(OC)cc1C ZINC000035468330 173456941 /nfs/dbraw/zinc/45/69/41/173456941.db2.gz VRRNNRKMPYJDJO-CQSZACIVSA-N 0 1 245.322 3.214 10 0 BGAEMN CN[C@H](c1ccoc1C)c1ccc(OC)c(F)c1 ZINC000035507491 173428314 /nfs/dbraw/zinc/42/83/14/173428314.db2.gz DBTNCIYZLNPCTO-AWEZNQCLSA-N 0 1 249.285 3.045 10 0 BGAEMN CCN[C@H](c1ccc(C)o1)c1ccc(F)cc1 ZINC000035539649 170147590 /nfs/dbraw/zinc/14/75/90/170147590.db2.gz AWJNZEDBXOFCFL-AWEZNQCLSA-N 0 1 233.286 3.426 10 0 BGAEMN CCN[C@@H](c1ccc(C)o1)c1ccc(F)cc1 ZINC000035539651 170164227 /nfs/dbraw/zinc/16/42/27/170164227.db2.gz AWJNZEDBXOFCFL-CQSZACIVSA-N 0 1 233.286 3.426 10 0 BGAEMN CCN[C@H](c1ccco1)c1ccc(F)cc1 ZINC000035539657 170147436 /nfs/dbraw/zinc/14/74/36/170147436.db2.gz KOVPSMKSOJRMDB-ZDUSSCGKSA-N 0 1 219.259 3.118 10 0 BGAEMN CCN[C@@H](c1ccco1)c1ccc(F)cc1 ZINC000035539659 170164002 /nfs/dbraw/zinc/16/40/02/170164002.db2.gz KOVPSMKSOJRMDB-CYBMUJFWSA-N 0 1 219.259 3.118 10 0 BGAEMN CCN[C@H](c1ccoc1)c1ccc(F)cc1 ZINC000035539661 170147045 /nfs/dbraw/zinc/14/70/45/170147045.db2.gz KQUDJXKRSCZAJF-ZDUSSCGKSA-N 0 1 219.259 3.118 10 0 BGAEMN CCN[C@@H](c1ccoc1)c1ccc(F)cc1 ZINC000035539663 170164388 /nfs/dbraw/zinc/16/43/88/170164388.db2.gz KQUDJXKRSCZAJF-CYBMUJFWSA-N 0 1 219.259 3.118 10 0 BGAEMN CCN[C@H](c1occc1C)c1ccc(F)cc1 ZINC000035539673 170147012 /nfs/dbraw/zinc/14/70/12/170147012.db2.gz ZKRMRZQIWVUEQF-ZDUSSCGKSA-N 0 1 233.286 3.426 10 0 BGAEMN CCN[C@@H](c1occc1C)c1ccc(F)cc1 ZINC000035539675 170164436 /nfs/dbraw/zinc/16/44/36/170164436.db2.gz ZKRMRZQIWVUEQF-CYBMUJFWSA-N 0 1 233.286 3.426 10 0 BGAEMN CCN[C@H](c1ccc(C)o1)c1ccc(OC)cc1 ZINC000035540702 170147859 /nfs/dbraw/zinc/14/78/59/170147859.db2.gz VIVKCRXEVOXSQY-HNNXBMFYSA-N 0 1 245.322 3.296 10 0 BGAEMN CCN[C@@H](c1ccc(C)o1)c1ccc(OC)cc1 ZINC000035540703 170164417 /nfs/dbraw/zinc/16/44/17/170164417.db2.gz VIVKCRXEVOXSQY-OAHLLOKOSA-N 0 1 245.322 3.296 10 0 BGAEMN CCN[C@H](c1occc1C)c1ccc(OC)cc1 ZINC000035540714 170147593 /nfs/dbraw/zinc/14/75/93/170147593.db2.gz KPUYXJLYYPIEBD-AWEZNQCLSA-N 0 1 245.322 3.296 10 0 BGAEMN CCN[C@@H](c1occc1C)c1ccc(OC)cc1 ZINC000035540715 170164323 /nfs/dbraw/zinc/16/43/23/170164323.db2.gz KPUYXJLYYPIEBD-CQSZACIVSA-N 0 1 245.322 3.296 10 0 BGAEMN CCN[C@H](c1ccco1)c1ccc(OCC)cc1 ZINC000035541195 170148346 /nfs/dbraw/zinc/14/83/46/170148346.db2.gz DHLNCBJQRWDBAC-HNNXBMFYSA-N 0 1 245.322 3.377 10 0 BGAEMN CCN[C@@H](c1ccco1)c1ccc(OCC)cc1 ZINC000035541196 170164404 /nfs/dbraw/zinc/16/44/04/170164404.db2.gz DHLNCBJQRWDBAC-OAHLLOKOSA-N 0 1 245.322 3.377 10 0 BGAEMN CCN[C@H](c1ccco1)c1ccc(OC)cc1C ZINC000035542961 170165110 /nfs/dbraw/zinc/16/51/10/170165110.db2.gz DJHURJFKRSNTCS-HNNXBMFYSA-N 0 1 245.322 3.296 10 0 BGAEMN CCN[C@@H](c1ccco1)c1ccc(OC)cc1C ZINC000035542962 170148904 /nfs/dbraw/zinc/14/89/04/170148904.db2.gz DJHURJFKRSNTCS-OAHLLOKOSA-N 0 1 245.322 3.296 10 0 BGAEMN CCN[C@@H](c1ccc(C)o1)c1cccs1 ZINC000035545239 170147890 /nfs/dbraw/zinc/14/78/90/170147890.db2.gz CLVALMCOFLZUEY-LBPRGKRZSA-N 0 1 221.325 3.348 10 0 BGAEMN CCN[C@H](c1ccc(C)o1)c1cccs1 ZINC000035545241 170163134 /nfs/dbraw/zinc/16/31/34/170163134.db2.gz CLVALMCOFLZUEY-GFCCVEGCSA-N 0 1 221.325 3.348 10 0 BGAEMN CCN[C@@H](c1ccco1)c1cccs1 ZINC000035545247 170148442 /nfs/dbraw/zinc/14/84/42/170148442.db2.gz IZUYUXQGYMFFJJ-NSHDSACASA-N 0 1 207.298 3.040 10 0 BGAEMN CCN[C@H](c1ccco1)c1cccs1 ZINC000035545249 170164953 /nfs/dbraw/zinc/16/49/53/170164953.db2.gz IZUYUXQGYMFFJJ-LLVKDONJSA-N 0 1 207.298 3.040 10 0 BGAEMN CCN[C@H](c1ccoc1)c1ccc(F)c(F)c1 ZINC000035548588 170164641 /nfs/dbraw/zinc/16/46/41/170164641.db2.gz OXNRMKHTMGHSLZ-ZDUSSCGKSA-N 0 1 237.249 3.257 10 0 BGAEMN CCN[C@@H](c1ccoc1)c1ccc(F)c(F)c1 ZINC000035548591 170149906 /nfs/dbraw/zinc/14/99/06/170149906.db2.gz OXNRMKHTMGHSLZ-CYBMUJFWSA-N 0 1 237.249 3.257 10 0 BGAEMN CCN[C@H](c1ccco1)c1ccc(OC)c(C)c1 ZINC000035571324 170147720 /nfs/dbraw/zinc/14/77/20/170147720.db2.gz SQRKWDUIKVTVIH-HNNXBMFYSA-N 0 1 245.322 3.296 10 0 BGAEMN CCN[C@@H](c1ccco1)c1ccc(OC)c(C)c1 ZINC000035571326 170164027 /nfs/dbraw/zinc/16/40/27/170164027.db2.gz SQRKWDUIKVTVIH-OAHLLOKOSA-N 0 1 245.322 3.296 10 0 BGAEMN CCN[C@H](c1ccco1)c1ccc(OC)c(F)c1 ZINC000035572040 170146987 /nfs/dbraw/zinc/14/69/87/170146987.db2.gz NAZMTWMHAJNXJZ-AWEZNQCLSA-N 0 1 249.285 3.126 10 0 BGAEMN CCN[C@@H](c1ccco1)c1ccc(OC)c(F)c1 ZINC000035572042 170164327 /nfs/dbraw/zinc/16/43/27/170164327.db2.gz NAZMTWMHAJNXJZ-CQSZACIVSA-N 0 1 249.285 3.126 10 0 BGAEMN CCN[C@H](c1ccoc1)c1ccc(OC)c(F)c1 ZINC000035572044 170164747 /nfs/dbraw/zinc/16/47/47/170164747.db2.gz NNDAFADNDUVEEP-AWEZNQCLSA-N 0 1 249.285 3.126 10 0 BGAEMN CCN[C@@H](c1ccoc1)c1ccc(OC)c(F)c1 ZINC000035572046 170149837 /nfs/dbraw/zinc/14/98/37/170149837.db2.gz NNDAFADNDUVEEP-CQSZACIVSA-N 0 1 249.285 3.126 10 0 BGAEMN CCN[C@@H]1COc2c1c(Cl)ccc2Cl ZINC000035654267 170154010 /nfs/dbraw/zinc/15/40/10/170154010.db2.gz UREVNJXXEQHEJE-MRVPVSSYSA-N 0 1 232.110 3.036 10 0 BGAEMN CCN[C@H]1COc2c1c(Cl)ccc2Cl ZINC000035654268 170168893 /nfs/dbraw/zinc/16/88/93/170168893.db2.gz UREVNJXXEQHEJE-QMMMGPOBSA-N 0 1 232.110 3.036 10 0 BGAEMN CC[C@H](C)SCCc1nc2cc(N)ccc2[nH]1 ZINC000035659206 171357089 /nfs/dbraw/zinc/35/70/89/171357089.db2.gz UDUKLLKURGFYKA-VIFPVBQESA-N 0 1 249.383 3.219 10 0 BGAEMN C[C@@H](c1cccs1)N1Cc2ccc(N)cc2C1 ZINC000035737298 176034543 /nfs/dbraw/zinc/03/45/43/176034543.db2.gz RRQAHEJDDJDBHD-JTQLQIEISA-N 0 1 244.363 3.407 10 0 BGAEMN C[C@H](c1cccs1)N1Cc2ccc(N)cc2C1 ZINC000035737299 177050072 /nfs/dbraw/zinc/05/00/72/177050072.db2.gz RRQAHEJDDJDBHD-SNVBAGLBSA-N 0 1 244.363 3.407 10 0 BGAEMN C[C@@H](c1cccs1)N1Cc2cccc(N)c2C1 ZINC000035737300 176034260 /nfs/dbraw/zinc/03/42/60/176034260.db2.gz PMNSYFSILNPDRF-JTQLQIEISA-N 0 1 244.363 3.407 10 0 BGAEMN C[C@H](c1cccs1)N1Cc2cccc(N)c2C1 ZINC000035737301 177050154 /nfs/dbraw/zinc/05/01/54/177050154.db2.gz PMNSYFSILNPDRF-SNVBAGLBSA-N 0 1 244.363 3.407 10 0 BGAEMN C[C@H](N[C@@H](C)c1ccc(O)cc1)c1ccco1 ZINC000035739031 176889637 /nfs/dbraw/zinc/88/96/37/176889637.db2.gz VGZWRBSNPHUXKJ-QWRGUYRKSA-N 0 1 231.295 3.397 10 0 BGAEMN Cc1cc(Nc2cnn(C)c2)c2ccccc2n1 ZINC000035781532 178193175 /nfs/dbraw/zinc/19/31/75/178193175.db2.gz CWPPEDAXZPDEQY-UHFFFAOYSA-N 0 1 238.294 3.020 10 0 BGAEMN Fc1cccc([C@H]2NCCc3sccc32)c1 ZINC000035933210 181003945 /nfs/dbraw/zinc/00/39/45/181003945.db2.gz YBCMZWJYPPOTSI-CYBMUJFWSA-N 0 1 233.311 3.122 10 0 BGAEMN Fc1cccc([C@@H]2NCCc3sccc32)c1 ZINC000035933212 181003710 /nfs/dbraw/zinc/00/37/10/181003710.db2.gz YBCMZWJYPPOTSI-ZDUSSCGKSA-N 0 1 233.311 3.122 10 0 BGAEMN CCCCc1ccc(C(=O)[C@H](N)C(C)C)cc1 ZINC000036162920 169020691 /nfs/dbraw/zinc/02/06/91/169020691.db2.gz MWNNLZTXWIIXBT-CQSZACIVSA-N 0 1 233.355 3.195 10 0 BGAEMN CCCCc1ccc(C(=O)[C@@H](N)C(C)C)cc1 ZINC000036162922 169020227 /nfs/dbraw/zinc/02/02/27/169020227.db2.gz MWNNLZTXWIIXBT-AWEZNQCLSA-N 0 1 233.355 3.195 10 0 BGAEMN C[C@@H](N)c1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000036164931 175821166 /nfs/dbraw/zinc/82/11/66/175821166.db2.gz YABFVFIVBACTCG-SECBINFHSA-N 0 1 244.363 3.319 10 0 BGAEMN Cc1cnc(NC2CCCCCC2)c(N)c1 ZINC000036226365 179630476 /nfs/dbraw/zinc/63/04/76/179630476.db2.gz YYSBEXGCIAMMBB-UHFFFAOYSA-N 0 1 219.332 3.107 10 0 BGAEMN Cc1ccc(N)c(NCc2ccccc2Cl)n1 ZINC000036226487 178704446 /nfs/dbraw/zinc/70/44/46/178704446.db2.gz MOENQSKUYPYZGT-UHFFFAOYSA-N 0 1 247.729 3.238 10 0 BGAEMN Cc1cc(N)cnc1NC1CCCCCC1 ZINC000036241436 188112794 /nfs/dbraw/zinc/11/27/94/188112794.db2.gz YBBBCNFRWDGMBS-UHFFFAOYSA-N 0 1 219.332 3.107 10 0 BGAEMN Cc1cc(N)cnc1N[C@@H](C)c1ccccc1 ZINC000036241455 188112331 /nfs/dbraw/zinc/11/23/31/188112331.db2.gz UXPYXVMKXOKILM-NSHDSACASA-N 0 1 227.311 3.145 10 0 BGAEMN Cc1cc(N)cnc1NCc1ccccc1Cl ZINC000036241510 187259363 /nfs/dbraw/zinc/25/93/63/187259363.db2.gz IZDALFUKSJLDCR-UHFFFAOYSA-N 0 1 247.729 3.238 10 0 BGAEMN Cc1c(-c2ccccc2)nc2c(C)cc(N)cn12 ZINC000036241645 178108096 /nfs/dbraw/zinc/10/80/96/178108096.db2.gz OGQWXCDUOUNIHF-UHFFFAOYSA-N 0 1 237.306 3.200 10 0 BGAEMN Cc1cc(NC2CCCCCCC2)ncc1N ZINC000036244980 178154825 /nfs/dbraw/zinc/15/48/25/178154825.db2.gz ITUOGUWZMBITDM-UHFFFAOYSA-N 0 1 233.359 3.497 10 0 BGAEMN Cc1cc(NC2CCCCCC2)ncc1N ZINC000036244983 178155094 /nfs/dbraw/zinc/15/50/94/178155094.db2.gz GYSCRHNRKATVBE-UHFFFAOYSA-N 0 1 219.332 3.107 10 0 BGAEMN Cc1cc(N[C@@H](C)c2ccccc2)ncc1N ZINC000036244993 178179389 /nfs/dbraw/zinc/17/93/89/178179389.db2.gz RVWUDKBUGXVWJJ-NSHDSACASA-N 0 1 227.311 3.145 10 0 BGAEMN Cc1cc(N[C@H](C)c2ccccc2)ncc1N ZINC000036244994 178187985 /nfs/dbraw/zinc/18/79/85/178187985.db2.gz RVWUDKBUGXVWJJ-LLVKDONJSA-N 0 1 227.311 3.145 10 0 BGAEMN Cc1cc(NCCC2=CCCCC2)ncc1N ZINC000036245017 178158073 /nfs/dbraw/zinc/15/80/73/178158073.db2.gz CKIRRSWTTRKACT-UHFFFAOYSA-N 0 1 231.343 3.275 10 0 BGAEMN Cc1cc(NCc2ccc(Cl)cc2)ncc1N ZINC000036245020 178171875 /nfs/dbraw/zinc/17/18/75/178171875.db2.gz AXBBONDMCDOSRM-UHFFFAOYSA-N 0 1 247.729 3.238 10 0 BGAEMN Cc1cc(NCc2ccccc2Cl)ncc1N ZINC000036245027 178173121 /nfs/dbraw/zinc/17/31/21/178173121.db2.gz HEJFVPKQIYRMMK-UHFFFAOYSA-N 0 1 247.729 3.238 10 0 BGAEMN Cc1nc(NC2CCCCCCC2)ccc1N ZINC000036245057 180015400 /nfs/dbraw/zinc/01/54/00/180015400.db2.gz ODBHOPDWIAOBCL-UHFFFAOYSA-N 0 1 233.359 3.497 10 0 BGAEMN Cc1nc(NC2CCCCCC2)ccc1N ZINC000036245060 180016012 /nfs/dbraw/zinc/01/60/12/180016012.db2.gz QUSJEOKJZVHQRM-UHFFFAOYSA-N 0 1 219.332 3.107 10 0 BGAEMN Cc1nc(N[C@@H](C)c2ccccc2)ccc1N ZINC000036245070 180022798 /nfs/dbraw/zinc/02/27/98/180022798.db2.gz CHNKHFNLVHBFDB-JTQLQIEISA-N 0 1 227.311 3.145 10 0 BGAEMN Cc1nc(N[C@H](C)c2ccccc2)ccc1N ZINC000036245071 180023535 /nfs/dbraw/zinc/02/35/35/180023535.db2.gz CHNKHFNLVHBFDB-SNVBAGLBSA-N 0 1 227.311 3.145 10 0 BGAEMN Cc1nc(NCCC2=CCCCC2)ccc1N ZINC000036245094 180017908 /nfs/dbraw/zinc/01/79/08/180017908.db2.gz WPZBHCNBPVQIRD-UHFFFAOYSA-N 0 1 231.343 3.275 10 0 BGAEMN Cc1nc(NCc2ccc(Cl)cc2)ccc1N ZINC000036245097 180021175 /nfs/dbraw/zinc/02/11/75/180021175.db2.gz ZLLCWBWVMCPHGI-UHFFFAOYSA-N 0 1 247.729 3.238 10 0 BGAEMN Cc1nc(NCc2ccccc2Cl)ccc1N ZINC000036245104 180020218 /nfs/dbraw/zinc/02/02/18/180020218.db2.gz YYFFXVONSJPPAW-UHFFFAOYSA-N 0 1 247.729 3.238 10 0 BGAEMN Cc1cc(N(CC(C)C)CC(C)C)ncc1N ZINC000036250732 178101858 /nfs/dbraw/zinc/10/18/58/178101858.db2.gz LZGVJMWUEOHXNJ-UHFFFAOYSA-N 0 1 235.375 3.091 10 0 BGAEMN CC[C@H](C)C[C@@](N)(CC)c1noc(C(C)C)n1 ZINC000036763903 171296151 /nfs/dbraw/zinc/29/61/51/171296151.db2.gz GEQJZEPHVYTBDB-GWCFXTLKSA-N 0 1 239.363 3.193 10 0 BGAEMN CC[C@H](C)C[C@](N)(CC)c1noc(C(C)C)n1 ZINC000036763908 171298909 /nfs/dbraw/zinc/29/89/09/171298909.db2.gz GEQJZEPHVYTBDB-GXFFZTMASA-N 0 1 239.363 3.193 10 0 BGAEMN CC(C)c1nc(C2(N)CCCCCCC2)no1 ZINC000036763972 167660186 /nfs/dbraw/zinc/66/01/86/167660186.db2.gz YJTYHXXGVGCBBA-UHFFFAOYSA-N 0 1 237.347 3.091 10 0 BGAEMN COc1ccc([C@H](N)c2ccccc2F)c(F)c1 ZINC000036766406 175192729 /nfs/dbraw/zinc/19/27/29/175192729.db2.gz ZJRZQRAEVQFAAH-CQSZACIVSA-N 0 1 249.260 3.022 10 0 BGAEMN COc1ccc([C@@H](N)c2ccccc2F)c(F)c1 ZINC000036766407 175180213 /nfs/dbraw/zinc/18/02/13/175180213.db2.gz ZJRZQRAEVQFAAH-AWEZNQCLSA-N 0 1 249.260 3.022 10 0 BGAEMN COc1ccc([C@@H](N)c2cc(C)oc2C)c(F)c1 ZINC000036766508 188112092 /nfs/dbraw/zinc/11/20/92/188112092.db2.gz TWUXCDKVXIVFEK-CQSZACIVSA-N 0 1 249.285 3.092 10 0 BGAEMN COc1ccc([C@H](N)c2cc(C)oc2C)c(F)c1 ZINC000036766509 175192688 /nfs/dbraw/zinc/19/26/88/175192688.db2.gz TWUXCDKVXIVFEK-AWEZNQCLSA-N 0 1 249.285 3.092 10 0 BGAEMN CCN[C@@H](c1ccoc1)c1ccc(OC)cc1F ZINC000036767045 170149400 /nfs/dbraw/zinc/14/94/00/170149400.db2.gz GIWPIPGWCSODOW-AWEZNQCLSA-N 0 1 249.285 3.126 10 0 BGAEMN CCN[C@H](c1ccoc1)c1ccc(OC)cc1F ZINC000036767046 170165090 /nfs/dbraw/zinc/16/50/90/170165090.db2.gz GIWPIPGWCSODOW-CQSZACIVSA-N 0 1 249.285 3.126 10 0 BGAEMN CCN[C@@H]1COc2cc(Cl)cc(Cl)c21 ZINC000036813950 170153655 /nfs/dbraw/zinc/15/36/55/170153655.db2.gz GOAQIFHSOXLFSL-MRVPVSSYSA-N 0 1 232.110 3.036 10 0 BGAEMN CCN[C@H]1COc2cc(Cl)cc(Cl)c21 ZINC000036813952 170168810 /nfs/dbraw/zinc/16/88/10/170168810.db2.gz GOAQIFHSOXLFSL-QMMMGPOBSA-N 0 1 232.110 3.036 10 0 BGAEMN COc1ccc(C)cc1[C@H](N)c1cccs1 ZINC000036822859 175082245 /nfs/dbraw/zinc/08/22/45/175082245.db2.gz RPQFJCNWIOPGDJ-ZDUSSCGKSA-N 0 1 233.336 3.113 10 0 BGAEMN COc1ccc(C)cc1[C@@H](N)c1cccs1 ZINC000036822860 175079767 /nfs/dbraw/zinc/07/97/67/175079767.db2.gz RPQFJCNWIOPGDJ-CYBMUJFWSA-N 0 1 233.336 3.113 10 0 BGAEMN COc1ccc(C)cc1[C@H](N)c1cc(C)oc1C ZINC000036822867 175082524 /nfs/dbraw/zinc/08/25/24/175082524.db2.gz QGMRVRSTXXTDSD-OAHLLOKOSA-N 0 1 245.322 3.262 10 0 BGAEMN COc1ccc(C)cc1[C@@H](N)c1cc(C)oc1C ZINC000036822868 175080075 /nfs/dbraw/zinc/08/00/75/175080075.db2.gz QGMRVRSTXXTDSD-HNNXBMFYSA-N 0 1 245.322 3.262 10 0 BGAEMN COc1ccc(C)cc1[C@H](N)c1ccccc1F ZINC000036822941 175082406 /nfs/dbraw/zinc/08/24/06/175082406.db2.gz UBJGMSNLGLUHTL-OAHLLOKOSA-N 0 1 245.297 3.191 10 0 BGAEMN COc1ccc(C)cc1[C@@H](N)c1ccccc1F ZINC000036822942 175080137 /nfs/dbraw/zinc/08/01/37/175080137.db2.gz UBJGMSNLGLUHTL-HNNXBMFYSA-N 0 1 245.297 3.191 10 0 BGAEMN CCC[C@@H](N)c1nc2ccccc2s1 ZINC000036830757 169394234 /nfs/dbraw/zinc/39/42/34/169394234.db2.gz FVSKBFCFOGLNRE-MRVPVSSYSA-N 0 1 206.314 3.096 10 0 BGAEMN CCC[C@@H](N)c1nc2cc(F)ccc2s1 ZINC000036830771 169393749 /nfs/dbraw/zinc/39/37/49/169393749.db2.gz PVXLCNCYPLDTJB-MRVPVSSYSA-N 0 1 224.304 3.235 10 0 BGAEMN Cc1ccc(-c2ccc(CN)o2)cc1Cl ZINC000036929557 178324374 /nfs/dbraw/zinc/32/43/74/178324374.db2.gz MFLRPTPOIXDYQF-UHFFFAOYSA-N 0 1 221.687 3.367 10 0 BGAEMN Cc1c(Cl)cccc1-c1ccc(CN)o1 ZINC000036929573 359691978 /nfs/dbraw/zinc/69/19/78/359691978.db2.gz QRBHCHSBERUPEO-UHFFFAOYSA-N 0 1 221.687 3.367 10 0 BGAEMN Cc1ccc(-c2ccc(CN)o2)c(C)c1 ZINC000036929577 178324189 /nfs/dbraw/zinc/32/41/89/178324189.db2.gz GUWKSRRIEPQZRY-UHFFFAOYSA-N 0 1 201.269 3.022 10 0 BGAEMN Cc1ccc(-c2ccc(CN)o2)cc1C ZINC000036929578 178324119 /nfs/dbraw/zinc/32/41/19/178324119.db2.gz QXKUCTXBCVCEQT-UHFFFAOYSA-N 0 1 201.269 3.022 10 0 BGAEMN NCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000036929593 385239474 /nfs/dbraw/zinc/23/94/74/385239474.db2.gz HJWYQOVLKNOKDF-UHFFFAOYSA-N 0 1 225.650 3.198 10 0 BGAEMN CC[C@H](C)[C@H](c1nc(C)n[nH]1)c1ccccc1 ZINC000036960738 171381327 /nfs/dbraw/zinc/38/13/27/171381327.db2.gz AVYGZZBGDOJLQR-GWCFXTLKSA-N 0 1 229.327 3.291 10 0 BGAEMN CC[C@H](C)[C@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000036960738 171381326 /nfs/dbraw/zinc/38/13/26/171381326.db2.gz AVYGZZBGDOJLQR-GWCFXTLKSA-N 0 1 229.327 3.291 10 0 BGAEMN Cc1nnc(-c2cccc(Cl)c2Cl)[nH]1 ZINC000036960839 347981437 /nfs/dbraw/zinc/98/14/37/347981437.db2.gz BVLRXOBLZNLANT-UHFFFAOYSA-N 0 1 228.082 3.087 10 0 BGAEMN C[C@H]1CO[C@H](c2cc(Cl)ccc2Cl)CN1 ZINC000036986479 177302556 /nfs/dbraw/zinc/30/25/56/177302556.db2.gz XAAPNIJPTFNWNP-CPCISQLKSA-N 0 1 246.137 3.043 10 0 BGAEMN C[C@H]1CO[C@@H](c2cc(Cl)ccc2Cl)CN1 ZINC000036986481 177299807 /nfs/dbraw/zinc/29/98/07/177299807.db2.gz XAAPNIJPTFNWNP-WRWORJQWSA-N 0 1 246.137 3.043 10 0 BGAEMN CN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000037116307 348020958 /nfs/dbraw/zinc/02/09/58/348020958.db2.gz BOPNKESUTMSSJO-YFKPBYRVSA-N 0 1 222.090 3.413 10 0 BGAEMN CN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000037116308 348020987 /nfs/dbraw/zinc/02/09/87/348020987.db2.gz BOPNKESUTMSSJO-RXMQYKEDSA-N 0 1 222.090 3.413 10 0 BGAEMN CCC[C@@H](C)CNc1ccc2c[nH]nc2c1 ZINC000037134092 169360869 /nfs/dbraw/zinc/36/08/69/169360869.db2.gz OZNJNZHWJBHXFS-SNVBAGLBSA-N 0 1 217.316 3.411 10 0 BGAEMN CCC(CC)CNc1ccc2c[nH]nc2c1 ZINC000037134212 168365809 /nfs/dbraw/zinc/36/58/09/168365809.db2.gz PAWOXVUPWLUHBW-UHFFFAOYSA-N 0 1 217.316 3.411 10 0 BGAEMN c1[nH]nc2cc(NC(C3CC3)C3CC3)ccc12 ZINC000037134359 183375931 /nfs/dbraw/zinc/37/59/31/183375931.db2.gz UEMHQHUWSHRTQD-UHFFFAOYSA-N 0 1 227.311 3.163 10 0 BGAEMN Cc1nc2cc(NCc3ccccc3)ccc2[nH]1 ZINC000037139777 348023313 /nfs/dbraw/zinc/02/33/13/348023313.db2.gz KUIINPPXNJNJPI-UHFFFAOYSA-N 0 1 237.306 3.483 10 0 BGAEMN CC[C@H](C)Nc1ccc2[nH]c(C)nc2c1 ZINC000037139804 171350071 /nfs/dbraw/zinc/35/00/71/171350071.db2.gz BCLWAWTXBBPADS-QMMMGPOBSA-N 0 1 203.289 3.082 10 0 BGAEMN Cc1nc2cc(NC3CCSCC3)ccc2[nH]1 ZINC000037139923 180095355 /nfs/dbraw/zinc/09/53/55/180095355.db2.gz NKNNIMRWQPCFOB-UHFFFAOYSA-N 0 1 247.367 3.179 10 0 BGAEMN Cc1cccc([C@@H](C)NCc2ccccn2)c1 ZINC000037213539 179181556 /nfs/dbraw/zinc/18/15/56/179181556.db2.gz RJCLHKKNNZIBTC-CYBMUJFWSA-N 0 1 226.323 3.241 10 0 BGAEMN Cc1cccc([C@H](C)NCc2ccccn2)c1 ZINC000037213540 179195805 /nfs/dbraw/zinc/19/58/05/179195805.db2.gz RJCLHKKNNZIBTC-ZDUSSCGKSA-N 0 1 226.323 3.241 10 0 BGAEMN CC[C@H](C)SCc1nc2ccc(N)cc2[nH]1 ZINC000037285781 171357003 /nfs/dbraw/zinc/35/70/03/171357003.db2.gz RIPILJHGQRMTPI-QMMMGPOBSA-N 0 1 235.356 3.177 10 0 BGAEMN Cc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1N ZINC000037439172 178336765 /nfs/dbraw/zinc/33/67/65/178336765.db2.gz GJOUJVSZWWKPLW-UHFFFAOYSA-N 0 1 241.269 3.260 10 0 BGAEMN Cc1ccc(-c2nc3ccc(F)cc3[nH]2)c(O)c1 ZINC000037439970 178336623 /nfs/dbraw/zinc/33/66/23/178336623.db2.gz GFRCOKNZSBHWCD-UHFFFAOYSA-N 0 1 242.253 3.383 10 0 BGAEMN Oc1ccccc1-c1nc2ccc(F)cc2[nH]1 ZINC000037439996 183300344 /nfs/dbraw/zinc/30/03/44/183300344.db2.gz LJYGBDFLJBIMGO-UHFFFAOYSA-N 0 1 228.226 3.075 10 0 BGAEMN CCC(CC)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000037504900 168368519 /nfs/dbraw/zinc/36/85/19/168368519.db2.gz KTUSBSIQEKHWDG-UHFFFAOYSA-N 0 1 235.327 3.005 10 0 BGAEMN Cc1ccccc1C[N@H+](CCCC(=O)[O-])C(C)C ZINC000037596482 179272305 /nfs/dbraw/zinc/27/23/05/179272305.db2.gz HFLRSGORLZVWEM-UHFFFAOYSA-N 0 1 249.354 3.070 10 0 BGAEMN Cc1ccccc1C[N@@H+](CCC(=O)[O-])C(C)(C)C ZINC000037597245 179271113 /nfs/dbraw/zinc/27/11/13/179271113.db2.gz WYMNWNDYQNXLJN-UHFFFAOYSA-N 0 1 249.354 3.070 10 0 BGAEMN Cc1ccc(C)c(C(=O)CN(C)[C@@H](C)C(C)C)c1 ZINC000037652214 187260182 /nfs/dbraw/zinc/26/01/82/187260182.db2.gz HKPHDGCKPDKGOJ-AWEZNQCLSA-N 0 1 247.382 3.462 10 0 BGAEMN CCC(CC)N(C)CC(=O)c1ccc(F)cc1 ZINC000037652233 168367796 /nfs/dbraw/zinc/36/77/96/168367796.db2.gz SZESPYHDKQCXKH-UHFFFAOYSA-N 0 1 237.318 3.129 10 0 BGAEMN CN(Cc1ccccc1)[C@@H]1CCCCCC1=O ZINC000037660993 350283590 /nfs/dbraw/zinc/28/35/90/350283590.db2.gz QSHFDJQUBOSJPN-CQSZACIVSA-N 0 1 231.339 3.020 10 0 BGAEMN C[N@@H+](Cc1ccccc1)[C@@H]1CCCCCC1=O ZINC000037660993 350283587 /nfs/dbraw/zinc/28/35/87/350283587.db2.gz QSHFDJQUBOSJPN-CQSZACIVSA-N 0 1 231.339 3.020 10 0 BGAEMN CN(Cc1ccccc1)[C@H]1CCCCCC1=O ZINC000037660994 350283399 /nfs/dbraw/zinc/28/33/99/350283399.db2.gz QSHFDJQUBOSJPN-AWEZNQCLSA-N 0 1 231.339 3.020 10 0 BGAEMN C[N@@H+](Cc1ccccc1)[C@H]1CCCCCC1=O ZINC000037660994 350283396 /nfs/dbraw/zinc/28/33/96/350283396.db2.gz QSHFDJQUBOSJPN-AWEZNQCLSA-N 0 1 231.339 3.020 10 0 BGAEMN Cc1ccccc1CN(C)[C@@H]1CCCCCC1=O ZINC000037661177 179270818 /nfs/dbraw/zinc/27/08/18/179270818.db2.gz VLHWDAWCLSETIU-OAHLLOKOSA-N 0 1 245.366 3.329 10 0 BGAEMN Cc1ccccc1CN(C)[C@H]1CCCCCC1=O ZINC000037661178 179269958 /nfs/dbraw/zinc/26/99/58/179269958.db2.gz VLHWDAWCLSETIU-HNNXBMFYSA-N 0 1 245.366 3.329 10 0 BGAEMN CCC(CC)Nc1cc2ccccc2c(=O)[nH]1 ZINC000037757122 168393657 /nfs/dbraw/zinc/39/36/57/168393657.db2.gz KBXCODGRHFIJEP-UHFFFAOYSA-N 0 1 230.311 3.129 10 0 BGAEMN CCC[C@@H](C)Nc1cc2ccccc2c(=O)[nH]1 ZINC000037757133 169371509 /nfs/dbraw/zinc/37/15/09/169371509.db2.gz KQZCVKIGKMSFCN-SNVBAGLBSA-N 0 1 230.311 3.129 10 0 BGAEMN CC(C)C[C@H](C)Nc1cc2ccccc2c(=O)[nH]1 ZINC000037757188 188288350 /nfs/dbraw/zinc/28/83/50/188288350.db2.gz OUUQZMWXBDZPHS-NSHDSACASA-N 0 1 244.338 3.375 10 0 BGAEMN C[C@H](Nc1cccc2[nH]ncc21)c1ccco1 ZINC000037783658 176935817 /nfs/dbraw/zinc/93/58/17/176935817.db2.gz ABYSBLLUJCZSRJ-VIFPVBQESA-N 0 1 227.267 3.329 10 0 BGAEMN Fc1ccccc1CNc1cccc2[nH]ncc21 ZINC000037783718 181013198 /nfs/dbraw/zinc/01/31/98/181013198.db2.gz NVUVDHGFWTVQPD-UHFFFAOYSA-N 0 1 241.269 3.314 10 0 BGAEMN CC(C)[C@@H](C)Nc1cccc2[nH]ncc21 ZINC000037783767 167388353 /nfs/dbraw/zinc/38/83/53/167388353.db2.gz OCNNETWTCGFLIT-SECBINFHSA-N 0 1 203.289 3.019 10 0 BGAEMN C[C@@H](Nc1cccc2[nH]ncc21)c1cccnc1 ZINC000037783783 175933329 /nfs/dbraw/zinc/93/33/29/175933329.db2.gz GMXUIVUHTANCGR-SNVBAGLBSA-N 0 1 238.294 3.131 10 0 BGAEMN C1=C[C@H]2C[C@@H]1C[C@@H]2CNc1cccc2[nH]ncc21 ZINC000037783957 188108597 /nfs/dbraw/zinc/10/85/97/188108597.db2.gz SYVLGDKCSUXPEZ-GRYCIOLGSA-N 0 1 239.322 3.187 10 0 BGAEMN Cc1ccccc1[C@@H](C)N[C@@H](C)c1cc[nH]n1 ZINC000037906759 179321371 /nfs/dbraw/zinc/32/13/71/179321371.db2.gz MPRATUOADABNFY-NEPJUHHUSA-N 0 1 229.327 3.130 10 0 BGAEMN Cc1ccccc1[C@H](C)N[C@@H](C)c1cc[nH]n1 ZINC000037906760 179339372 /nfs/dbraw/zinc/33/93/72/179339372.db2.gz MPRATUOADABNFY-RYUDHWBXSA-N 0 1 229.327 3.130 10 0 BGAEMN Cc1ccccc1[C@@H](C)N[C@H](C)c1cc[nH]n1 ZINC000037906761 179323127 /nfs/dbraw/zinc/32/31/27/179323127.db2.gz MPRATUOADABNFY-VXGBXAGGSA-N 0 1 229.327 3.130 10 0 BGAEMN Cc1ccccc1[C@H](C)N[C@H](C)c1cc[nH]n1 ZINC000037906762 179339687 /nfs/dbraw/zinc/33/96/87/179339687.db2.gz MPRATUOADABNFY-NWDGAFQWSA-N 0 1 229.327 3.130 10 0 BGAEMN CCc1ccc(C(=O)[C@@H](C)N2CCC[C@@H]2C)cc1 ZINC000037911570 171788280 /nfs/dbraw/zinc/78/82/80/171788280.db2.gz VIBLAPPRRHMNDE-QWHCGFSZSA-N 0 1 245.366 3.305 10 0 BGAEMN CCOC(=O)C(CC)(CC)NC1CCCCC1 ZINC000037972165 170187823 /nfs/dbraw/zinc/18/78/23/170187823.db2.gz CAXJAIBMTUSVCY-UHFFFAOYSA-N 0 1 241.375 3.031 10 0 BGAEMN CCC(CC)(NC1CCCCCC1)C(=O)OC ZINC000037972590 168330882 /nfs/dbraw/zinc/33/08/82/168330882.db2.gz LZGXTNKWAUYYBG-UHFFFAOYSA-N 0 1 241.375 3.031 10 0 BGAEMN Cc1ccc([C@@H](C)NCc2ccnc(C)n2)s1 ZINC000038037275 180191152 /nfs/dbraw/zinc/19/11/52/180191152.db2.gz NHUREOALGRZEBF-SNVBAGLBSA-N 0 1 247.367 3.006 10 0 BGAEMN Cc1ccc([C@H](C)NCc2ccnc(C)n2)s1 ZINC000038037276 180190889 /nfs/dbraw/zinc/19/08/89/180190889.db2.gz NHUREOALGRZEBF-JTQLQIEISA-N 0 1 247.367 3.006 10 0 BGAEMN CCCC[C@H](N)c1nc2c(cccc2C)o1 ZINC000038052678 169009154 /nfs/dbraw/zinc/00/91/54/169009154.db2.gz QSPKRXUCEDEPGE-JTQLQIEISA-N 0 1 218.300 3.326 10 0 BGAEMN CC[C@H](C)[C@H](N)c1nc2c(cccc2C)o1 ZINC000038052758 171398187 /nfs/dbraw/zinc/39/81/87/171398187.db2.gz PKHCYPNXKAIPFX-KWQFWETISA-N 0 1 218.300 3.182 10 0 BGAEMN CC[C@H](C)[C@@H](N)c1nc2c(cccc2C)o1 ZINC000038052760 171372210 /nfs/dbraw/zinc/37/22/10/171372210.db2.gz PKHCYPNXKAIPFX-GZMMTYOYSA-N 0 1 218.300 3.182 10 0 BGAEMN CN[C@@H](c1cccnc1)c1ccccc1Cl ZINC000038078541 173429982 /nfs/dbraw/zinc/42/99/82/173429982.db2.gz LANOQQSRZYBHNX-ZDUSSCGKSA-N 0 1 232.714 3.044 10 0 BGAEMN CCN[C@@H](c1cccnc1)c1ccccc1Cl ZINC000038078543 170148507 /nfs/dbraw/zinc/14/85/07/170148507.db2.gz RKHUGVTXMPAKOV-AWEZNQCLSA-N 0 1 246.741 3.434 10 0 BGAEMN CCN[C@H](c1cccnc1)c1ccccc1Cl ZINC000038078544 170164737 /nfs/dbraw/zinc/16/47/37/170164737.db2.gz RKHUGVTXMPAKOV-CQSZACIVSA-N 0 1 246.741 3.434 10 0 BGAEMN CCN[C@@H](c1ccncc1)c1ccccc1Cl ZINC000038078549 170148573 /nfs/dbraw/zinc/14/85/73/170148573.db2.gz AFMXWPPRPBKLNT-AWEZNQCLSA-N 0 1 246.741 3.434 10 0 BGAEMN CCN[C@H](c1ccncc1)c1ccccc1Cl ZINC000038078550 170164625 /nfs/dbraw/zinc/16/46/25/170164625.db2.gz AFMXWPPRPBKLNT-CQSZACIVSA-N 0 1 246.741 3.434 10 0 BGAEMN CSC(=S)C1=C(O)c2ccccc2CC1 ZINC000038255016 358143465 /nfs/dbraw/zinc/14/34/65/358143465.db2.gz MGAQTHXWJZHBCU-SNVBAGLBSA-N 0 1 236.361 3.122 10 0 BGAEMN CSC(=S)C1=C(O)c2ccccc2CC1 ZINC000038255018 358143563 /nfs/dbraw/zinc/14/35/63/358143563.db2.gz MGAQTHXWJZHBCU-JTQLQIEISA-N 0 1 236.361 3.122 10 0 BGAEMN Fc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000038885431 372804432 /nfs/dbraw/zinc/80/44/32/372804432.db2.gz KMGPJKOKSYGMJD-UHFFFAOYSA-N 0 1 239.253 3.278 10 0 in-vivo BGAEMN Fc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000038885431 372804427 /nfs/dbraw/zinc/80/44/27/372804427.db2.gz KMGPJKOKSYGMJD-UHFFFAOYSA-N 0 1 239.253 3.278 10 0 in-vivo BGAEMN COc1ccc2c(c1)CCN=C2c1ccccc1 ZINC000038918715 347170414 /nfs/dbraw/zinc/17/04/14/347170414.db2.gz DNWMWQTXKFNVHX-UHFFFAOYSA-N 0 1 237.302 3.089 10 0 BGAEMN Nc1ccccc1-c1cc(-c2cccs2)[nH]n1 ZINC000038978150 344189138 /nfs/dbraw/zinc/18/91/38/344189138.db2.gz QKUXARGMIITLJO-UHFFFAOYSA-N 0 1 241.319 3.387 10 0 BGAEMN Cc1ccc(-c2csc(=S)n2O)cc1 ZINC000038997730 178330423 /nfs/dbraw/zinc/33/04/23/178330423.db2.gz OMAHALVIWKLZQH-UHFFFAOYSA-N 0 1 223.322 3.492 10 0 BGAEMN CCCC(CCC)CC(=O)CC(=O)OCC ZINC000039041724 398026683 /nfs/dbraw/zinc/02/66/83/398026683.db2.gz AYELBBXZYGLWET-UHFFFAOYSA-N 0 1 228.332 3.115 10 0 BGAEMN CCc1cccc(C)c1NC(=N)SC ZINC000039101238 187263545 /nfs/dbraw/zinc/26/35/45/187263545.db2.gz GLEXJTNUEKNXNG-UHFFFAOYSA-N 0 1 208.330 3.267 10 0 BGAEMN CCN1Cc2c3ccccc3oc2C[C@@H]1C ZINC000039101798 170040438 /nfs/dbraw/zinc/04/04/38/170040438.db2.gz JEPBNWXDQAGOJU-JTQLQIEISA-N 0 1 215.296 3.199 10 0 BGAEMN CCN1Cc2c3ccccc3oc2C[C@H]1C ZINC000039101799 170041182 /nfs/dbraw/zinc/04/11/82/170041182.db2.gz JEPBNWXDQAGOJU-SNVBAGLBSA-N 0 1 215.296 3.199 10 0 BGAEMN CCc1oc(C)cc1CNCc1ccccc1 ZINC000039102838 172111394 /nfs/dbraw/zinc/11/13/94/172111394.db2.gz OPSBAOBMURNMDT-UHFFFAOYSA-N 0 1 229.323 3.440 10 0 BGAEMN Cc1n[nH]c(C(C)C)c1-c1ccccc1N ZINC000039109595 343384956 /nfs/dbraw/zinc/38/49/56/343384956.db2.gz JZNOTLGGXFYVQD-UHFFFAOYSA-N 0 1 215.300 3.091 10 0 BGAEMN CCCNc1cc(C)[nH+]c2c([O-])cccc12 ZINC000039109764 169293777 /nfs/dbraw/zinc/29/37/77/169293777.db2.gz KYHAADBLNAGYNN-UHFFFAOYSA-N 0 1 216.284 3.071 10 0 BGAEMN Cc1ccc(NC(=N)c2cccnc2)cc1C ZINC000039110785 343385199 /nfs/dbraw/zinc/38/51/99/343385199.db2.gz STUUSGKGBNHLHB-UHFFFAOYSA-N 0 1 225.295 3.136 10 0 BGAEMN CC(=O)C(CC(C)C)=C(O)c1ccccc1 ZINC000039119222 347179499 /nfs/dbraw/zinc/17/94/99/347179499.db2.gz NMOKDHGAYQGKQM-ZDUSSCGKSA-N 0 1 218.296 3.121 10 0 BGAEMN CC(=O)C(CC(C)C)=C(O)c1ccccc1 ZINC000039119224 347179448 /nfs/dbraw/zinc/17/94/48/347179448.db2.gz NMOKDHGAYQGKQM-CYBMUJFWSA-N 0 1 218.296 3.121 10 0 BGAEMN Cc1nc2cc(Br)c(Cl)cc2[nH]1 ZINC000039174773 343386763 /nfs/dbraw/zinc/38/67/63/343386763.db2.gz SJJUHQDEQLCDLA-UHFFFAOYSA-N 0 1 245.507 3.287 10 0 BGAEMN Cc1ccc2c(c1)C(c1ccccc1)=NCC(N)=N2 ZINC000039247884 346874588 /nfs/dbraw/zinc/87/45/88/346874588.db2.gz CKLBCCMYEQGUCZ-UHFFFAOYSA-N 0 1 249.317 3.235 10 0 BGAEMN Clc1ccc(NCc2cnc[nH]2)cc1Cl ZINC000039415351 358226284 /nfs/dbraw/zinc/22/62/84/358226284.db2.gz XEGZBQZLHMSZNA-UHFFFAOYSA-N 0 1 242.109 3.329 10 0 BGAEMN Oc1cc(Cl)c(Cl)cc1Br ZINC000039473324 388613008 /nfs/dbraw/zinc/61/30/08/388613008.db2.gz VPPQRCCVUBXCPX-UHFFFAOYSA-N 0 1 241.899 3.462 10 0 BGAEMN Cc1cc(Cl)c(O)c(Br)c1 ZINC000039617904 178061526 /nfs/dbraw/zinc/06/15/26/178061526.db2.gz UACGFKDZXGCYIQ-UHFFFAOYSA-N 0 1 221.481 3.117 10 0 BGAEMN CC(C)(C)c1ncc2cc(Cl)nc(Cl)n21 ZINC000039629097 343539818 /nfs/dbraw/zinc/53/98/18/343539818.db2.gz PVIFIXBNASLYJO-UHFFFAOYSA-N 0 1 244.125 3.334 10 0 BGAEMN Clc1ccc(-c2n[nH]c(-c3ccco3)n2)cc1 ZINC000040174245 342959215 /nfs/dbraw/zinc/95/92/15/342959215.db2.gz BSMAGFNVLYKWAO-UHFFFAOYSA-N 0 1 245.669 3.385 10 0 BGAEMN Clc1cccc(-c2n[nH]c(-c3ccco3)n2)c1 ZINC000040174247 351398789 /nfs/dbraw/zinc/39/87/89/351398789.db2.gz QMMVKZIQSDRPNF-UHFFFAOYSA-N 0 1 245.669 3.385 10 0 BGAEMN Cc1cccc(-c2n[nH]c(-c3ccco3)n2)c1 ZINC000040174255 351397975 /nfs/dbraw/zinc/39/79/75/351397975.db2.gz KWAPJOMDMLASCD-UHFFFAOYSA-N 0 1 225.251 3.040 10 0 BGAEMN Cc1ccc(-c2n[nH]c(-c3ccco3)n2)cc1 ZINC000040174257 178331527 /nfs/dbraw/zinc/33/15/27/178331527.db2.gz AWWVRGKZUQNFGT-UHFFFAOYSA-N 0 1 225.251 3.040 10 0 BGAEMN CNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000040414411 173392872 /nfs/dbraw/zinc/39/28/72/173392872.db2.gz NAIUQPZUSHLZJS-UHFFFAOYSA-N 0 1 238.743 3.183 10 0 BGAEMN CNCc1csc(-c2ccccc2Cl)n1 ZINC000040414438 173393267 /nfs/dbraw/zinc/39/32/67/173393267.db2.gz OKOTYUMARZALHX-UHFFFAOYSA-N 0 1 238.743 3.183 10 0 BGAEMN Cc1cccc(-c2nc(-c3ccccc3)n[nH]2)c1 ZINC000040504992 358238386 /nfs/dbraw/zinc/23/83/86/358238386.db2.gz CBPRCYQVOPFRJB-UHFFFAOYSA-N 0 1 235.290 3.447 10 0 BGAEMN Cc1cccc(-c2n[nH]c(-c3ccccc3)n2)c1 ZINC000040504992 358238385 /nfs/dbraw/zinc/23/83/85/358238385.db2.gz CBPRCYQVOPFRJB-UHFFFAOYSA-N 0 1 235.290 3.447 10 0 BGAEMN S=c1[nH]nc(C2CCC2)n1-c1ccccc1 ZINC000040539332 183314839 /nfs/dbraw/zinc/31/48/39/183314839.db2.gz NBBHESLIUPXOOS-UHFFFAOYSA-N 0 1 231.324 3.197 10 0 BGAEMN CC(C)Oc1ccc(-c2ccc(CN)o2)cc1 ZINC000040542740 167287724 /nfs/dbraw/zinc/28/77/24/167287724.db2.gz UNULPDCMWCBIOG-UHFFFAOYSA-N 0 1 231.295 3.193 10 0 BGAEMN C/C(=C\c1cc(Cl)cc(Cl)c1O)CO ZINC000040546044 342974922 /nfs/dbraw/zinc/97/49/22/342974922.db2.gz YWFKLVDHYDXPBV-QHHAFSJGSA-N 0 1 233.094 3.095 10 0 BGAEMN COc1ccc2cc([C@@H](N)C(C)(C)C)oc2c1 ZINC000040906978 373879954 /nfs/dbraw/zinc/87/99/54/373879954.db2.gz VLTASUYWQKRUTP-CYBMUJFWSA-N 0 1 233.311 3.487 10 0 BGAEMN COc1ccc2cc([C@H](N)C(C)(C)C)oc2c1 ZINC000040906980 373880289 /nfs/dbraw/zinc/88/02/89/373880289.db2.gz VLTASUYWQKRUTP-ZDUSSCGKSA-N 0 1 233.311 3.487 10 0 BGAEMN CC(C)(N)c1nc2cccc(Cl)c2s1 ZINC000040911325 187264103 /nfs/dbraw/zinc/26/41/03/187264103.db2.gz NTGPXDRBGHJUKY-UHFFFAOYSA-N 0 1 226.732 3.144 10 0 BGAEMN CCNCc1csc(C2CCCCC2)n1 ZINC000040999616 170130700 /nfs/dbraw/zinc/13/07/00/170130700.db2.gz MWUNWNVQHHPXHU-UHFFFAOYSA-N 0 1 224.373 3.300 10 0 BGAEMN CC(C)NCc1csc(C2CCCC2)n1 ZINC000040999675 167120792 /nfs/dbraw/zinc/12/07/92/167120792.db2.gz FTZBBLXYJMVQAJ-UHFFFAOYSA-N 0 1 224.373 3.299 10 0 BGAEMN CC(C)NCc1csc(Cc2ccccc2)n1 ZINC000040999681 167121715 /nfs/dbraw/zinc/12/17/15/167121715.db2.gz WZYQWUOOAMDXMU-UHFFFAOYSA-N 0 1 246.379 3.232 10 0 BGAEMN CNCc1csc(-c2ccc(Cl)s2)n1 ZINC000040999829 173393421 /nfs/dbraw/zinc/39/34/21/173393421.db2.gz SSVNKWRQYFTSFU-UHFFFAOYSA-N 0 1 244.772 3.244 10 0 BGAEMN CNCc1csc(-c2cc3ccccc3o2)n1 ZINC000041009982 173393399 /nfs/dbraw/zinc/39/33/99/173393399.db2.gz MWMLBJILDYJSAU-UHFFFAOYSA-N 0 1 244.319 3.276 10 0 BGAEMN CCNCc1csc(-c2ccc(C)s2)n1 ZINC000041010013 170129909 /nfs/dbraw/zinc/12/99/09/170129909.db2.gz KNUCYVRDPUKWLS-UHFFFAOYSA-N 0 1 238.381 3.290 10 0 BGAEMN CCNCc1csc(-c2sccc2C)n1 ZINC000041010031 170131005 /nfs/dbraw/zinc/13/10/05/170131005.db2.gz OTLFQDICJQKJLX-UHFFFAOYSA-N 0 1 238.381 3.290 10 0 BGAEMN CC(C)(C)CNc1ccc2c[nH]nc2c1 ZINC000041051362 343414239 /nfs/dbraw/zinc/41/42/39/343414239.db2.gz FVJVDDUYYZRWNX-UHFFFAOYSA-N 0 1 203.289 3.021 10 0 BGAEMN Cc1nc2cc(NCC(C)(C)C)ccc2[nH]1 ZINC000041051367 180083462 /nfs/dbraw/zinc/08/34/62/180083462.db2.gz QXAIZQWIJOFZRN-UHFFFAOYSA-N 0 1 217.316 3.329 10 0 BGAEMN CCC[C@@H](N)c1nc(-c2ccccn2)cs1 ZINC000041059301 169393514 /nfs/dbraw/zinc/39/35/14/169393514.db2.gz LIUIZBGMCKDAJH-SECBINFHSA-N 0 1 233.340 3.005 10 0 BGAEMN CCC[C@@H](N)c1nc(-c2ccncc2)cs1 ZINC000041059305 169394008 /nfs/dbraw/zinc/39/40/08/169394008.db2.gz XIWNVHVFFUJXMH-SNVBAGLBSA-N 0 1 233.340 3.005 10 0 BGAEMN CCC[C@@H](N)c1nc(-c2ccco2)cs1 ZINC000041059307 169393536 /nfs/dbraw/zinc/39/35/36/169393536.db2.gz WZESIPPKQLHNAA-MRVPVSSYSA-N 0 1 222.313 3.203 10 0 BGAEMN CCC[C@@H](N)c1nc(-c2cccnc2)cs1 ZINC000041059309 169394224 /nfs/dbraw/zinc/39/42/24/169394224.db2.gz NEXAQZMPEAPGIE-SNVBAGLBSA-N 0 1 233.340 3.005 10 0 BGAEMN Cc1ccc(-c2csc([C@H](N)C(C)C)n2)o1 ZINC000041059374 178330320 /nfs/dbraw/zinc/33/03/20/178330320.db2.gz COUSVWCWMJBBOY-LLVKDONJSA-N 0 1 236.340 3.367 10 0 BGAEMN Cc1ccc(-c2csc([C@@H](N)C(C)C)n2)o1 ZINC000041059375 178329758 /nfs/dbraw/zinc/32/97/58/178329758.db2.gz COUSVWCWMJBBOY-NSHDSACASA-N 0 1 236.340 3.367 10 0 BGAEMN CC(C)c1csc([C@H](N)C(C)(C)C)n1 ZINC000041059683 361222469 /nfs/dbraw/zinc/22/24/69/361222469.db2.gz WMWWVBVLUGDUBN-VIFPVBQESA-N 0 1 212.362 3.312 10 0 BGAEMN CC(C)c1csc([C@@H](N)C(C)(C)C)n1 ZINC000041059684 361222418 /nfs/dbraw/zinc/22/24/18/361222418.db2.gz WMWWVBVLUGDUBN-SECBINFHSA-N 0 1 212.362 3.312 10 0 BGAEMN CCc1nc([C@H](N)c2ccccc2)sc1C ZINC000041059699 172007722 /nfs/dbraw/zinc/00/77/22/172007722.db2.gz ICCXEZIXMZTNHB-GFCCVEGCSA-N 0 1 232.352 3.062 10 0 BGAEMN CCc1nc([C@@H](N)c2ccccc2)sc1C ZINC000041059700 172004397 /nfs/dbraw/zinc/00/43/97/172004397.db2.gz ICCXEZIXMZTNHB-LBPRGKRZSA-N 0 1 232.352 3.062 10 0 BGAEMN CCc1ccc([C@@H](N)c2nc(C)cs2)cc1 ZINC000041059727 171834473 /nfs/dbraw/zinc/83/44/73/171834473.db2.gz AXNKKWVBQCEQOC-GFCCVEGCSA-N 0 1 232.352 3.062 10 0 BGAEMN CN[C@H](c1nccs1)c1ccc(C)c(C)c1 ZINC000041060411 173427455 /nfs/dbraw/zinc/42/74/55/173427455.db2.gz ULFIIHYOOUYASP-LBPRGKRZSA-N 0 1 232.352 3.069 10 0 BGAEMN CCN[C@H](c1nccs1)c1cccc(C)c1 ZINC000041060912 170148646 /nfs/dbraw/zinc/14/86/46/170148646.db2.gz TVFDXNSIHHPTIY-LBPRGKRZSA-N 0 1 232.352 3.150 10 0 BGAEMN CCN[C@@H](c1nccs1)c1cccc(C)c1 ZINC000041060913 170164407 /nfs/dbraw/zinc/16/44/07/170164407.db2.gz TVFDXNSIHHPTIY-GFCCVEGCSA-N 0 1 232.352 3.150 10 0 BGAEMN CCN[C@H](c1nccs1)c1ccccc1C ZINC000041060948 170165396 /nfs/dbraw/zinc/16/53/96/170165396.db2.gz XZWHUMNAMIMTDW-LBPRGKRZSA-N 0 1 232.352 3.150 10 0 BGAEMN CCN[C@@H](c1nccs1)c1ccccc1C ZINC000041060949 170149148 /nfs/dbraw/zinc/14/91/48/170149148.db2.gz XZWHUMNAMIMTDW-GFCCVEGCSA-N 0 1 232.352 3.150 10 0 BGAEMN CCN[C@H](c1nccs1)c1ccc(C)cc1 ZINC000041060950 170146976 /nfs/dbraw/zinc/14/69/76/170146976.db2.gz LVWNRBMFNUVAEL-LBPRGKRZSA-N 0 1 232.352 3.150 10 0 BGAEMN CCN[C@@H](c1nccs1)c1ccc(C)cc1 ZINC000041060951 170163144 /nfs/dbraw/zinc/16/31/44/170163144.db2.gz LVWNRBMFNUVAEL-GFCCVEGCSA-N 0 1 232.352 3.150 10 0 BGAEMN CCN[C@H](c1nc(C)cs1)c1ccccc1 ZINC000041061021 170148449 /nfs/dbraw/zinc/14/84/49/170148449.db2.gz NLZHKOHOSIUIDU-LBPRGKRZSA-N 0 1 232.352 3.150 10 0 BGAEMN CCN[C@@H](c1nc(C)cs1)c1ccccc1 ZINC000041061022 170165056 /nfs/dbraw/zinc/16/50/56/170165056.db2.gz NLZHKOHOSIUIDU-GFCCVEGCSA-N 0 1 232.352 3.150 10 0 BGAEMN CC(C)c1csc(C(C)(C)NC2CC2)n1 ZINC000041061937 167653159 /nfs/dbraw/zinc/65/31/59/167653159.db2.gz IOUMJTDBOBIWJF-UHFFFAOYSA-N 0 1 224.373 3.254 10 0 BGAEMN CC[C@@H](N)c1nc(-c2ccccc2OC)cs1 ZINC000041162394 170871416 /nfs/dbraw/zinc/87/14/16/170871416.db2.gz NAGBEGCQEBXRCD-SNVBAGLBSA-N 0 1 248.351 3.229 10 0 BGAEMN Fc1cccc(Cl)c1[C@@H]1CCCCN1 ZINC000041227272 181000271 /nfs/dbraw/zinc/00/02/71/181000271.db2.gz GDMURKNAEVKZLF-JTQLQIEISA-N 0 1 213.683 3.294 10 0 BGAEMN Fc1cccc(Cl)c1[C@H]1CCCCN1 ZINC000041227274 181000785 /nfs/dbraw/zinc/00/07/85/181000785.db2.gz GDMURKNAEVKZLF-SNVBAGLBSA-N 0 1 213.683 3.294 10 0 BGAEMN NC(c1ccccc1F)c1ccccc1F ZINC000041232259 181324448 /nfs/dbraw/zinc/32/44/48/181324448.db2.gz GTAHWADMBQTUQB-UHFFFAOYSA-N 0 1 219.234 3.013 10 0 BGAEMN Fc1ccccc1[C@H]1NCCc2sccc21 ZINC000041260642 631240683 /nfs/dbraw/zinc/24/06/83/631240683.db2.gz BTMQBCBKHKAVDG-CYBMUJFWSA-N 0 1 233.311 3.122 10 0 BGAEMN Fc1ccccc1[C@@H]1NCCc2sccc21 ZINC000041260644 631241183 /nfs/dbraw/zinc/24/11/83/631241183.db2.gz BTMQBCBKHKAVDG-ZDUSSCGKSA-N 0 1 233.311 3.122 10 0 BGAEMN CCOc1ccccc1[C@H](N)c1ccccc1F ZINC000041295926 170599583 /nfs/dbraw/zinc/59/95/83/170599583.db2.gz VRGGTUPZZKCSBQ-OAHLLOKOSA-N 0 1 245.297 3.273 10 0 BGAEMN Cc1ccc(C)c(OCc2ccc(CN)o2)c1C ZINC000041296110 178490100 /nfs/dbraw/zinc/49/01/00/178490100.db2.gz ICAZXEFEGQCSAB-UHFFFAOYSA-N 0 1 245.322 3.243 10 0 BGAEMN CCNCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000041612272 170111372 /nfs/dbraw/zinc/11/13/72/170111372.db2.gz PPHLMGLRBBGXER-UHFFFAOYSA-N 0 1 239.318 3.146 10 0 BGAEMN CC(C)NCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000041612982 167098323 /nfs/dbraw/zinc/09/83/23/167098323.db2.gz UZTCUIKJOXAKNU-UHFFFAOYSA-N 0 1 246.137 3.174 10 0 BGAEMN CCN[C@@H](c1cccs1)c1nc(C)cs1 ZINC000041672787 170148270 /nfs/dbraw/zinc/14/82/70/170148270.db2.gz MPTVPLNTDUVWPR-JTQLQIEISA-N 0 1 238.381 3.212 10 0 BGAEMN CCN[C@H](c1cccs1)c1nc(C)cs1 ZINC000041672790 170164705 /nfs/dbraw/zinc/16/47/05/170164705.db2.gz MPTVPLNTDUVWPR-SNVBAGLBSA-N 0 1 238.381 3.212 10 0 BGAEMN CC(C)N[C@@H](c1cccs1)c1nccs1 ZINC000041672876 167134010 /nfs/dbraw/zinc/13/40/10/167134010.db2.gz LRQFVWPDQBQFJV-JTQLQIEISA-N 0 1 238.381 3.292 10 0 BGAEMN CC(C)N[C@H](c1cccs1)c1nccs1 ZINC000041672879 167140337 /nfs/dbraw/zinc/14/03/37/167140337.db2.gz LRQFVWPDQBQFJV-SNVBAGLBSA-N 0 1 238.381 3.292 10 0 BGAEMN CCN[C@H](c1nccs1)c1sccc1C ZINC000041674397 170164743 /nfs/dbraw/zinc/16/47/43/170164743.db2.gz KZNYRNJDNPOHDN-VIFPVBQESA-N 0 1 238.381 3.212 10 0 BGAEMN CCN[C@@H](c1nccs1)c1sccc1C ZINC000041674401 170149705 /nfs/dbraw/zinc/14/97/05/170149705.db2.gz KZNYRNJDNPOHDN-SECBINFHSA-N 0 1 238.381 3.212 10 0 BGAEMN CCN[C@@H](c1ccc(C)s1)c1nccs1 ZINC000041676724 170146972 /nfs/dbraw/zinc/14/69/72/170146972.db2.gz QPQVPXVMBJLDOC-JTQLQIEISA-N 0 1 238.381 3.212 10 0 BGAEMN CCN[C@H](c1ccc(C)s1)c1nccs1 ZINC000041676728 170163473 /nfs/dbraw/zinc/16/34/73/170163473.db2.gz QPQVPXVMBJLDOC-SNVBAGLBSA-N 0 1 238.381 3.212 10 0 BGAEMN CC[C@H](C)[C@@H](C)Nc1cc2ccccc2c(=O)[nH]1 ZINC000042556872 171367987 /nfs/dbraw/zinc/36/79/87/171367987.db2.gz OQXZAYCLVPROTL-WDEREUQCSA-N 0 1 244.338 3.375 10 0 BGAEMN CC[C@@H](C)[C@H](C)Nc1cc2ccccc2c(=O)[nH]1 ZINC000042556875 170791881 /nfs/dbraw/zinc/79/18/81/170791881.db2.gz OQXZAYCLVPROTL-MNOVXSKESA-N 0 1 244.338 3.375 10 0 BGAEMN CC[C@H](C)[C@H](C)Nc1cc2ccccc2c(=O)[nH]1 ZINC000042556878 171391525 /nfs/dbraw/zinc/39/15/25/171391525.db2.gz OQXZAYCLVPROTL-QWRGUYRKSA-N 0 1 244.338 3.375 10 0 BGAEMN CC[C@H](C)[C@@H](C)n1c(N)nc2cc(F)ccc21 ZINC000042557708 171367353 /nfs/dbraw/zinc/36/73/53/171367353.db2.gz ZRPZZZJEBLNXRH-DTWKUNHWSA-N 0 1 235.306 3.365 10 0 BGAEMN CC[C@H](C)[C@H](C)n1c(N)nc2cc(F)ccc21 ZINC000042557713 171392451 /nfs/dbraw/zinc/39/24/51/171392451.db2.gz ZRPZZZJEBLNXRH-IUCAKERBSA-N 0 1 235.306 3.365 10 0 BGAEMN Cc1cccc(C(=O)CN(CC(C)C)C2CC2)c1 ZINC000042558404 179003986 /nfs/dbraw/zinc/00/39/86/179003986.db2.gz ZYLHIBPCCAAIEH-UHFFFAOYSA-N 0 1 245.366 3.298 10 0 BGAEMN Cc1ccc(C(=O)CN(CC(C)C)C2CC2)cc1 ZINC000042558470 188294140 /nfs/dbraw/zinc/29/41/40/188294140.db2.gz ASEVORXPUYSQLF-UHFFFAOYSA-N 0 1 245.366 3.298 10 0 BGAEMN Cc1ccccc1C(=O)CN(CC(C)C)C1CC1 ZINC000042558555 179245637 /nfs/dbraw/zinc/24/56/37/179245637.db2.gz QEFFSJOHWKDRQX-UHFFFAOYSA-N 0 1 245.366 3.298 10 0 BGAEMN CC(C)C[C@@H](C)[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000042585439 187266466 /nfs/dbraw/zinc/26/64/66/187266466.db2.gz MQELEDDABVFHKO-OCCSQVGLSA-N 0 1 249.354 3.179 10 0 BGAEMN N=C1CCCN1c1ccc(Cl)cc1F ZINC000042590556 362011620 /nfs/dbraw/zinc/01/16/20/362011620.db2.gz YPPQNIUZDZFREF-UHFFFAOYSA-N 0 1 212.655 3.057 10 0 BGAEMN CC[C@H](C(C)C)n1c(N)nc2cc(F)ccc21 ZINC000042591875 171242743 /nfs/dbraw/zinc/24/27/43/171242743.db2.gz LRISZFOIMJJHLA-LLVKDONJSA-N 0 1 235.306 3.365 10 0 BGAEMN C[C@@H]1CCCC[C@@H]1N(C)CC(=O)c1ccccc1 ZINC000042609047 176077750 /nfs/dbraw/zinc/07/77/50/176077750.db2.gz SHAMBZNQNFVPNE-HIFRSBDPSA-N 0 1 245.366 3.380 10 0 BGAEMN C[C@H]1CCCC[C@@H]1N(C)CC(=O)c1ccccc1 ZINC000042609048 177081273 /nfs/dbraw/zinc/08/12/73/177081273.db2.gz SHAMBZNQNFVPNE-ZFWWWQNUSA-N 0 1 245.366 3.380 10 0 BGAEMN C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)c1ccccc1 ZINC000042609048 177081272 /nfs/dbraw/zinc/08/12/72/177081272.db2.gz SHAMBZNQNFVPNE-ZFWWWQNUSA-N 0 1 245.366 3.380 10 0 BGAEMN C[C@@H]1CCCC[C@H]1N(C)CC(=O)c1ccccc1 ZINC000042609049 176085736 /nfs/dbraw/zinc/08/57/36/176085736.db2.gz SHAMBZNQNFVPNE-UKRRQHHQSA-N 0 1 245.366 3.380 10 0 BGAEMN C[C@H]1CCCC[C@H]1N(C)CC(=O)c1ccccc1 ZINC000042609050 177087479 /nfs/dbraw/zinc/08/74/79/177087479.db2.gz SHAMBZNQNFVPNE-DZGCQCFKSA-N 0 1 245.366 3.380 10 0 BGAEMN COc1ccccc1[C@@H](N)c1sccc1C ZINC000042728955 175347925 /nfs/dbraw/zinc/34/79/25/175347925.db2.gz YMLGYHBTTJWAOR-GFCCVEGCSA-N 0 1 233.336 3.113 10 0 BGAEMN COc1ccccc1[C@H](N)c1sccc1C ZINC000042728957 175353088 /nfs/dbraw/zinc/35/30/88/175353088.db2.gz YMLGYHBTTJWAOR-LBPRGKRZSA-N 0 1 233.336 3.113 10 0 BGAEMN C[C@@H]1CCCC[C@@H]1Cn1c(N)nc2ccccc21 ZINC000042865812 176077754 /nfs/dbraw/zinc/07/77/54/176077754.db2.gz ZEWCWOKCDYYKOZ-VXGBXAGGSA-N 0 1 243.354 3.445 10 0 BGAEMN C[C@H]1CCCC[C@@H]1Cn1c(N)nc2ccccc21 ZINC000042865815 177080674 /nfs/dbraw/zinc/08/06/74/177080674.db2.gz ZEWCWOKCDYYKOZ-NWDGAFQWSA-N 0 1 243.354 3.445 10 0 BGAEMN C[C@@H]1CCCC[C@H]1Cn1c(N)nc2ccccc21 ZINC000042865818 176085979 /nfs/dbraw/zinc/08/59/79/176085979.db2.gz ZEWCWOKCDYYKOZ-NEPJUHHUSA-N 0 1 243.354 3.445 10 0 BGAEMN C[C@H]1CCCC[C@H]1Cn1c(N)nc2ccccc21 ZINC000042865821 177085824 /nfs/dbraw/zinc/08/58/24/177085824.db2.gz ZEWCWOKCDYYKOZ-RYUDHWBXSA-N 0 1 243.354 3.445 10 0 BGAEMN COc1ccc(Cl)c(-c2ccc(CN)o2)c1 ZINC000043318378 187948991 /nfs/dbraw/zinc/94/89/91/187948991.db2.gz AKHYDNHGLPHUKO-UHFFFAOYSA-N 0 1 237.686 3.067 10 0 BGAEMN FC(F)(F)c1cc(-c2ccsc2)[nH]n1 ZINC000043463633 180890745 /nfs/dbraw/zinc/89/07/45/180890745.db2.gz VBHXJSYNOKMBCY-UHFFFAOYSA-N 0 1 218.203 3.157 10 0 BGAEMN FC(F)(F)c1n[nH]c2c1CCc1ccccc1-2 ZINC000043463642 384829387 /nfs/dbraw/zinc/82/93/87/384829387.db2.gz NIFUBUNGUCIMNB-UHFFFAOYSA-N 0 1 238.212 3.194 10 0 BGAEMN CCCC[C@@H]([NH3+])c1nc2cccc(C)c2[nH]1 ZINC000043598523 343478597 /nfs/dbraw/zinc/47/85/97/343478597.db2.gz MBYBLTWLXDCZDM-SNVBAGLBSA-N 0 1 217.316 3.061 10 0 BGAEMN Cc1cccc2nc(-c3ccccc3O)[nH]c21 ZINC000043598738 358383616 /nfs/dbraw/zinc/38/36/16/358383616.db2.gz ONQKGCDSKLSADX-UHFFFAOYSA-N 0 1 224.263 3.244 10 0 BGAEMN CC(C)(c1ccccc1)[C@@H](N)c1ccco1 ZINC000043606919 188295659 /nfs/dbraw/zinc/29/56/59/188295659.db2.gz RJAYMMMFQIVLOC-ZDUSSCGKSA-N 0 1 215.296 3.257 10 0 BGAEMN Cc1cccnc1[C@@H](N)c1ccc(Cl)cc1 ZINC000043616533 179397162 /nfs/dbraw/zinc/39/71/62/179397162.db2.gz BTSYSCQXUFOQIM-LBPRGKRZSA-N 0 1 232.714 3.092 10 0 BGAEMN Cc1cccnc1[C@H](N)c1ccccc1Cl ZINC000043616542 179398411 /nfs/dbraw/zinc/39/84/11/179398411.db2.gz YQNQTCNXLXXCHO-GFCCVEGCSA-N 0 1 232.714 3.092 10 0 BGAEMN Cc1cccnc1[C@@H](N)c1ccccc1Cl ZINC000043616543 179398003 /nfs/dbraw/zinc/39/80/03/179398003.db2.gz YQNQTCNXLXXCHO-LBPRGKRZSA-N 0 1 232.714 3.092 10 0 BGAEMN Cc1cccnc1[C@H](N)c1ccc(Cl)cc1 ZINC000043618820 179398345 /nfs/dbraw/zinc/39/83/45/179398345.db2.gz BTSYSCQXUFOQIM-GFCCVEGCSA-N 0 1 232.714 3.092 10 0 BGAEMN CN[C@@H]1c2c(c(Cl)ccc2Cl)O[C@@H]1C ZINC000043634536 343632101 /nfs/dbraw/zinc/63/21/01/343632101.db2.gz ZIKOXHUFJGWAES-ANLVUFKYSA-N 0 1 232.110 3.035 10 0 BGAEMN CN[C@@H]1c2c(c(Cl)ccc2Cl)O[C@H]1C ZINC000043634537 343632241 /nfs/dbraw/zinc/63/22/41/343632241.db2.gz ZIKOXHUFJGWAES-CDUCUWFYSA-N 0 1 232.110 3.035 10 0 BGAEMN CN[C@H]1c2c(c(Cl)ccc2Cl)O[C@@H]1C ZINC000043634539 343632288 /nfs/dbraw/zinc/63/22/88/343632288.db2.gz ZIKOXHUFJGWAES-MLUIRONXSA-N 0 1 232.110 3.035 10 0 BGAEMN CN[C@H]1c2c(c(Cl)ccc2Cl)O[C@H]1C ZINC000043634541 343632041 /nfs/dbraw/zinc/63/20/41/343632041.db2.gz ZIKOXHUFJGWAES-SSDLBLMSSA-N 0 1 232.110 3.035 10 0 BGAEMN Cc1cccnc1[C@H](N)c1cccc(Cl)c1 ZINC000044569174 179397679 /nfs/dbraw/zinc/39/76/79/179397679.db2.gz BLYUXTHBKPYXTN-GFCCVEGCSA-N 0 1 232.714 3.092 10 0 BGAEMN Cc1cccnc1[C@@H](N)c1cccc(Cl)c1 ZINC000044569177 179397220 /nfs/dbraw/zinc/39/72/20/179397220.db2.gz BLYUXTHBKPYXTN-LBPRGKRZSA-N 0 1 232.714 3.092 10 0 BGAEMN Cc1cc([C@@H](C)NC2=N[C@H](C)CS2)c(C)o1 ZINC000044731066 178223204 /nfs/dbraw/zinc/22/32/04/178223204.db2.gz RKROOCODEHJHRK-VXNVDRBHSA-N 0 1 238.356 3.038 10 0 BGAEMN Cc1cc([C@H](C)NC2=N[C@H](C)CS2)c(C)o1 ZINC000044731067 178246137 /nfs/dbraw/zinc/24/61/37/178246137.db2.gz RKROOCODEHJHRK-APPZFPTMSA-N 0 1 238.356 3.038 10 0 BGAEMN Cc1cc([C@@H](C)NC2=N[C@@H](C)CS2)c(C)o1 ZINC000044731068 178221858 /nfs/dbraw/zinc/22/18/58/178221858.db2.gz RKROOCODEHJHRK-IONNQARKSA-N 0 1 238.356 3.038 10 0 BGAEMN Cc1cc([C@H](C)NC2=N[C@@H](C)CS2)c(C)o1 ZINC000044731069 178245164 /nfs/dbraw/zinc/24/51/64/178245164.db2.gz RKROOCODEHJHRK-CBAPKCEASA-N 0 1 238.356 3.038 10 0 BGAEMN CNCc1csc([C@H]2CCC[C@@H](C)C2)n1 ZINC000044981440 173393117 /nfs/dbraw/zinc/39/31/17/173393117.db2.gz GGOFFAADNSUHFU-ZJUUUORDSA-N 0 1 224.373 3.156 10 0 BGAEMN CNCc1csc([C@H]2CCC[C@H](C)C2)n1 ZINC000044981442 173392845 /nfs/dbraw/zinc/39/28/45/173392845.db2.gz GGOFFAADNSUHFU-UWVGGRQHSA-N 0 1 224.373 3.156 10 0 BGAEMN CNCc1csc([C@@H]2CCC[C@@H](C)C2)n1 ZINC000044981444 173393841 /nfs/dbraw/zinc/39/38/41/173393841.db2.gz GGOFFAADNSUHFU-NXEZZACHSA-N 0 1 224.373 3.156 10 0 BGAEMN CNCc1csc([C@@H]2CCC[C@H](C)C2)n1 ZINC000044981445 173393155 /nfs/dbraw/zinc/39/31/55/173393155.db2.gz GGOFFAADNSUHFU-VHSXEESVSA-N 0 1 224.373 3.156 10 0 BGAEMN CNCc1csc(C2CCC(C)CC2)n1 ZINC000044983972 173393569 /nfs/dbraw/zinc/39/35/69/173393569.db2.gz KHGJMCKJIJSUTF-UHFFFAOYSA-N 0 1 224.373 3.156 10 0 BGAEMN CC1(n2c(N)nc3ccccc32)CCCCC1 ZINC000045046368 168074092 /nfs/dbraw/zinc/07/40/92/168074092.db2.gz IECAQYINHHRBMD-UHFFFAOYSA-N 0 1 229.327 3.298 10 0 BGAEMN Cc1ccccc1-c1cnc(CNC2CC2)s1 ZINC000045206074 179237255 /nfs/dbraw/zinc/23/72/55/179237255.db2.gz ZKRXQYDHEAEIOW-UHFFFAOYSA-N 0 1 244.363 3.371 10 0 BGAEMN Cc1ccc(-c2cnc(CNC3CC3)s2)cc1 ZINC000045206076 178328640 /nfs/dbraw/zinc/32/86/40/178328640.db2.gz BBLZBQDEJVBRCC-UHFFFAOYSA-N 0 1 244.363 3.371 10 0 BGAEMN Cc1ccc(-c2csc(CNC3CC3)n2)cc1 ZINC000045206523 178329773 /nfs/dbraw/zinc/32/97/73/178329773.db2.gz ZQVQCRMGLAJYPG-UHFFFAOYSA-N 0 1 244.363 3.371 10 0 BGAEMN Cc1ccccc1-c1csc(CNC2CC2)n1 ZINC000045206567 179236712 /nfs/dbraw/zinc/23/67/12/179236712.db2.gz YMIOFMQKGNVYBS-UHFFFAOYSA-N 0 1 244.363 3.371 10 0 BGAEMN CC(C)c1cc([C@@H]2CCCCCN2)no1 ZINC000045206778 167578939 /nfs/dbraw/zinc/57/89/39/167578939.db2.gz FSGMEHRMOGIRCK-JTQLQIEISA-N 0 1 208.305 3.003 10 0 BGAEMN CCCC[C@H]1[NH2+]CCc2cc(Cl)c([O-])cc21 ZINC000045284818 169015349 /nfs/dbraw/zinc/01/53/49/169015349.db2.gz ACJUSWFGYPTYCW-GFCCVEGCSA-N 0 1 239.746 3.423 10 0 BGAEMN CCC[C@@H](C)NCc1nnc(-c2ccccc2)o1 ZINC000047948569 169370601 /nfs/dbraw/zinc/37/06/01/169370601.db2.gz OMJBJIWMHOLJSL-LLVKDONJSA-N 0 1 245.326 3.015 10 0 BGAEMN CCC[C@H](C)NCc1nnc(-c2ccccc2)o1 ZINC000047948571 384471246 /nfs/dbraw/zinc/47/12/46/384471246.db2.gz OMJBJIWMHOLJSL-NSHDSACASA-N 0 1 245.326 3.015 10 0 BGAEMN CCC(C)(C)NCc1nnc(-c2ccccc2)o1 ZINC000047948695 168299339 /nfs/dbraw/zinc/29/93/39/168299339.db2.gz HALVUFBYGLVDRP-UHFFFAOYSA-N 0 1 245.326 3.015 10 0 BGAEMN CC[C@H](C)OC[C@H](N)c1cc2ccccc2o1 ZINC000048264355 171355050 /nfs/dbraw/zinc/35/50/50/171355050.db2.gz QRSWUXGCQCUEES-JQWIXIFHSA-N 0 1 233.311 3.248 10 0 BGAEMN CC[C@H](C)OC[C@@H](N)c1cc2ccccc2o1 ZINC000048264359 171355696 /nfs/dbraw/zinc/35/56/96/171355696.db2.gz QRSWUXGCQCUEES-CMPLNLGQSA-N 0 1 233.311 3.248 10 0 BGAEMN Cc1ccc([C@H](C)N[C@@H](C)c2cc[nH]n2)s1 ZINC000049161826 188124314 /nfs/dbraw/zinc/12/43/14/188124314.db2.gz FXAAXLPOHGDZPG-UWVGGRQHSA-N 0 1 235.356 3.191 10 0 BGAEMN CCN[C@@H](c1cccc(F)c1)c1cncc(F)c1 ZINC000049576157 170148413 /nfs/dbraw/zinc/14/84/13/170148413.db2.gz WCOYWQAIMZBPPC-AWEZNQCLSA-N 0 1 248.276 3.059 10 0 BGAEMN CCN[C@H](c1cccc(F)c1)c1cncc(F)c1 ZINC000049576158 170164423 /nfs/dbraw/zinc/16/44/23/170164423.db2.gz WCOYWQAIMZBPPC-CQSZACIVSA-N 0 1 248.276 3.059 10 0 BGAEMN CC[C@H](C)[N@@H+](C)Cc1ccccc1/C=C/C(=O)[O-] ZINC000049626297 171307755 /nfs/dbraw/zinc/30/77/55/171307755.db2.gz XZRHREDAXYFQNW-VMPCVLLUSA-N 0 1 247.338 3.015 10 0 BGAEMN CC[C@H](C)[N@@H+](C)Cc1ccc(/C=C/C(=O)[O-])cc1 ZINC000049626300 171308887 /nfs/dbraw/zinc/30/88/87/171308887.db2.gz MAZPCSMPSGPWMO-VMPCVLLUSA-N 0 1 247.338 3.015 10 0 BGAEMN CC[C@H](C)[N@@H+](C)Cc1cccc(/C=C/C(=O)[O-])c1 ZINC000049626311 171307782 /nfs/dbraw/zinc/30/77/82/171307782.db2.gz KUKQRAPCNDUDFT-BCPZQOPPSA-N 0 1 247.338 3.015 10 0 BGAEMN CCC[N@@H+](CC)Cc1ccccc1/C=C/C(=O)[O-] ZINC000049626352 169128780 /nfs/dbraw/zinc/12/87/80/169128780.db2.gz NVQWBCHUFUTWJL-MDZDMXLPSA-N 0 1 247.338 3.016 10 0 BGAEMN CCC[N@@H+](CC)Cc1ccc(/C=C/C(=O)[O-])cc1 ZINC000049626353 169129697 /nfs/dbraw/zinc/12/96/97/169129697.db2.gz VNPUADMTVVPODM-MDZDMXLPSA-N 0 1 247.338 3.016 10 0 BGAEMN CCC[N@@H+](CC)Cc1cccc(/C=C/C(=O)[O-])c1 ZINC000049626360 169129253 /nfs/dbraw/zinc/12/92/53/169129253.db2.gz VELMNCRLWQIHMO-CMDGGOBGSA-N 0 1 247.338 3.016 10 0 BGAEMN CCN[C@H](c1nccs1)c1cc(C)ccc1C ZINC000049671003 170164911 /nfs/dbraw/zinc/16/49/11/170164911.db2.gz DIEWMHANEGBJIX-ZDUSSCGKSA-N 0 1 246.379 3.459 10 0 BGAEMN CCN[C@@H](c1nccs1)c1cc(C)ccc1C ZINC000049671004 170149720 /nfs/dbraw/zinc/14/97/20/170149720.db2.gz DIEWMHANEGBJIX-CYBMUJFWSA-N 0 1 246.379 3.459 10 0 BGAEMN CNCc1csc(-c2cc(C)sc2C)n1 ZINC000049685644 173392899 /nfs/dbraw/zinc/39/28/99/173392899.db2.gz DDZIXBDDUUADRC-UHFFFAOYSA-N 0 1 238.381 3.208 10 0 BGAEMN Cc1ccccc1[C@@H](C)N1CCC(=O)C[C@@H]1C ZINC000049713913 179316923 /nfs/dbraw/zinc/31/69/23/179316923.db2.gz GUDFSECLJIOZMQ-QWHCGFSZSA-N 0 1 231.339 3.109 10 0 BGAEMN Cc1ccccc1[C@H](C)N1CCC(=O)C[C@@H]1C ZINC000049713914 179333892 /nfs/dbraw/zinc/33/38/92/179333892.db2.gz GUDFSECLJIOZMQ-STQMWFEESA-N 0 1 231.339 3.109 10 0 BGAEMN Cc1nc([C@@H](N)c2cccc(C)c2C)sc1C ZINC000049796233 179200780 /nfs/dbraw/zinc/20/07/80/179200780.db2.gz QHDSZVBXUHIKNG-ZDUSSCGKSA-N 0 1 246.379 3.425 10 0 BGAEMN Cc1nc([C@H](N)c2cccc(C)c2C)sc1C ZINC000049796235 179185887 /nfs/dbraw/zinc/18/58/87/179185887.db2.gz QHDSZVBXUHIKNG-CYBMUJFWSA-N 0 1 246.379 3.425 10 0 BGAEMN COc1ccc(-c2ccc(CN)o2)cc1Cl ZINC000049829087 175033347 /nfs/dbraw/zinc/03/33/47/175033347.db2.gz VRLNCRIAXGVMFR-UHFFFAOYSA-N 0 1 237.686 3.067 10 0 BGAEMN Cc1cc([C@H](N)c2ccccc2F)c(C)o1 ZINC000049849459 178262337 /nfs/dbraw/zinc/26/23/37/178262337.db2.gz JUKIDTTUDWKNLX-CYBMUJFWSA-N 0 1 219.259 3.084 10 0 BGAEMN Cc1cc([C@@H](N)c2ccccc2F)c(C)o1 ZINC000049849460 178237651 /nfs/dbraw/zinc/23/76/51/178237651.db2.gz JUKIDTTUDWKNLX-ZDUSSCGKSA-N 0 1 219.259 3.084 10 0 BGAEMN CCN(Cc1ccccc1)[C@@H]1CCCCC1=O ZINC000050133283 344647112 /nfs/dbraw/zinc/64/71/12/344647112.db2.gz MSEHPYCSCHMESK-CQSZACIVSA-N 0 1 231.339 3.020 10 0 BGAEMN CCN(Cc1ccccc1)[C@H]1CCCCC1=O ZINC000050133284 344646970 /nfs/dbraw/zinc/64/69/70/344646970.db2.gz MSEHPYCSCHMESK-AWEZNQCLSA-N 0 1 231.339 3.020 10 0 BGAEMN CCCC(=O)CN(Cc1ccccc1)C(C)C ZINC000050184287 343610529 /nfs/dbraw/zinc/61/05/29/343610529.db2.gz ITQSRGJCGIMUTQ-UHFFFAOYSA-N 0 1 233.355 3.266 10 0 BGAEMN Cc1nc2cc(NCC3CCCC3)ccc2[nH]1 ZINC000050271876 180094666 /nfs/dbraw/zinc/09/46/66/180094666.db2.gz SQXCFDVECSROHC-UHFFFAOYSA-N 0 1 229.327 3.473 10 0 BGAEMN N[C@@H](c1ccc(Br)o1)C1=CCCC1 ZINC000050326899 181610042 /nfs/dbraw/zinc/61/00/42/181610042.db2.gz NYSAMTWXJNOROG-SNVBAGLBSA-N 0 1 242.116 3.152 10 0 BGAEMN N[C@H](c1ccc(Br)o1)C1=CCCC1 ZINC000050326900 383999484 /nfs/dbraw/zinc/99/94/84/383999484.db2.gz NYSAMTWXJNOROG-JTQLQIEISA-N 0 1 242.116 3.152 10 0 BGAEMN O=Cc1cc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000050478828 344696068 /nfs/dbraw/zinc/69/60/68/344696068.db2.gz QYYAMBDCAYNZEC-UHFFFAOYSA-N 0 1 241.077 3.196 10 0 BGAEMN O=Cc1cc(-c2ccc(Cl)cc2Cl)n[nH]1 ZINC000050478830 344696005 /nfs/dbraw/zinc/69/60/05/344696005.db2.gz ZAMZYPIUMALPNP-UHFFFAOYSA-N 0 1 241.077 3.196 10 0 BGAEMN COc1ccc2cc([C@@H]3NCCS3)ccc2c1 ZINC000050522806 175224501 /nfs/dbraw/zinc/22/45/01/175224501.db2.gz VPIRTJIKDFGBST-CQSZACIVSA-N 0 1 245.347 3.183 10 0 BGAEMN COc1ccc2cc([C@H]3NCCS3)ccc2c1 ZINC000050522808 175226104 /nfs/dbraw/zinc/22/61/04/175226104.db2.gz VPIRTJIKDFGBST-AWEZNQCLSA-N 0 1 245.347 3.183 10 0 BGAEMN Cc1ccccc1C(=O)CN1CCC[C@H](C)[C@@H]1C ZINC000050565967 179245605 /nfs/dbraw/zinc/24/56/05/179245605.db2.gz MADNOKOLXLDPPJ-JSGCOSHPSA-N 0 1 245.366 3.298 10 0 BGAEMN Cc1ccccc1C(=O)CN1CCC[C@@H](C)[C@@H]1C ZINC000050565968 179245250 /nfs/dbraw/zinc/24/52/50/179245250.db2.gz MADNOKOLXLDPPJ-OCCSQVGLSA-N 0 1 245.366 3.298 10 0 BGAEMN C[C@H](Nc1nccn1C)c1ccc(Cl)s1 ZINC000050606336 176940435 /nfs/dbraw/zinc/94/04/35/176940435.db2.gz WINQGKQLTXUUID-ZETCQYMHSA-N 0 1 241.747 3.308 10 0 BGAEMN Cc1cc([C@@H](C)Nc2nccn2C)c(C)s1 ZINC000050606428 178234033 /nfs/dbraw/zinc/23/40/33/178234033.db2.gz KPTAWUSLPHUUDA-SECBINFHSA-N 0 1 235.356 3.272 10 0 BGAEMN Cc1cc([C@H](C)Nc2nccn2C)c(C)s1 ZINC000050606430 178259977 /nfs/dbraw/zinc/25/99/77/178259977.db2.gz KPTAWUSLPHUUDA-VIFPVBQESA-N 0 1 235.356 3.272 10 0 BGAEMN CCn1ccnc1N[C@@H](C)c1ccccc1 ZINC000050608219 172228146 /nfs/dbraw/zinc/22/81/46/172228146.db2.gz DQSOSWIJPSWQQO-NSHDSACASA-N 0 1 215.300 3.076 10 0 BGAEMN CCn1ccnc1N[C@H](C)c1ccccc1 ZINC000050608221 172227796 /nfs/dbraw/zinc/22/77/96/172227796.db2.gz DQSOSWIJPSWQQO-LLVKDONJSA-N 0 1 215.300 3.076 10 0 BGAEMN CCn1ccnc1NC1CCCCCC1 ZINC000050608404 172227768 /nfs/dbraw/zinc/22/77/68/172227768.db2.gz PLQIIQRLRHUHPD-UHFFFAOYSA-N 0 1 207.321 3.038 10 0 BGAEMN CCn1ccnc1N[C@@H](C)c1ccc(C)s1 ZINC000050614202 172227000 /nfs/dbraw/zinc/22/70/00/172227000.db2.gz WKAFPIZOEVAAPV-JTQLQIEISA-N 0 1 235.356 3.446 10 0 BGAEMN CCn1ccnc1N[C@H](C)c1ccc(C)s1 ZINC000050614203 172226967 /nfs/dbraw/zinc/22/69/67/172226967.db2.gz WKAFPIZOEVAAPV-SNVBAGLBSA-N 0 1 235.356 3.446 10 0 BGAEMN CCn1ccnc1N[C@@H](C)c1cccc(F)c1 ZINC000050614235 172228064 /nfs/dbraw/zinc/22/80/64/172228064.db2.gz KOWHAJWHBATVNK-JTQLQIEISA-N 0 1 233.290 3.215 10 0 BGAEMN CCn1ccnc1N[C@H](C)c1cccc(F)c1 ZINC000050614236 172228500 /nfs/dbraw/zinc/22/85/00/172228500.db2.gz KOWHAJWHBATVNK-SNVBAGLBSA-N 0 1 233.290 3.215 10 0 BGAEMN CCn1ccnc1N[C@@H](C)c1cc(C)oc1C ZINC000050614289 172228017 /nfs/dbraw/zinc/22/80/17/172228017.db2.gz BGAZYYQROZWCBK-JTQLQIEISA-N 0 1 233.315 3.286 10 0 BGAEMN CCn1ccnc1N[C@H](C)c1cc(C)oc1C ZINC000050614290 172227784 /nfs/dbraw/zinc/22/77/84/172227784.db2.gz BGAZYYQROZWCBK-SNVBAGLBSA-N 0 1 233.315 3.286 10 0 BGAEMN CCN[C@@H](C)c1nnc(-c2ccc(C)cc2C)o1 ZINC000050618683 170142761 /nfs/dbraw/zinc/14/27/61/170142761.db2.gz LVEOFNAGXWRLKJ-NSHDSACASA-N 0 1 245.326 3.024 10 0 BGAEMN CCN[C@H](C)c1nnc(-c2ccc(C)cc2C)o1 ZINC000050618684 170159665 /nfs/dbraw/zinc/15/96/65/170159665.db2.gz LVEOFNAGXWRLKJ-LLVKDONJSA-N 0 1 245.326 3.024 10 0 BGAEMN CCN[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000050618745 170142553 /nfs/dbraw/zinc/14/25/53/170142553.db2.gz VUNKSZMMXCOCOO-NSHDSACASA-N 0 1 245.326 3.024 10 0 BGAEMN CCN[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000050618746 170160401 /nfs/dbraw/zinc/16/04/01/170160401.db2.gz VUNKSZMMXCOCOO-LLVKDONJSA-N 0 1 245.326 3.024 10 0 BGAEMN CCCN[C@H](C)c1nnc(C2CCCCC2)o1 ZINC000050619078 169288317 /nfs/dbraw/zinc/28/83/17/169288317.db2.gz ANJJRBPCJJCRGX-SNVBAGLBSA-N 0 1 237.347 3.178 10 0 BGAEMN CCCNc1nc2ccccc2cc1CN(C)C ZINC000050792933 169297069 /nfs/dbraw/zinc/29/70/69/169297069.db2.gz QFBIDTAFNYSEKX-UHFFFAOYSA-N 0 1 243.354 3.118 10 0 BGAEMN CNc1ccnc2c(C)ccc(Cl)c12 ZINC000050843818 343619151 /nfs/dbraw/zinc/61/91/51/343619151.db2.gz PECFWPALHVFKGS-UHFFFAOYSA-N 0 1 206.676 3.238 10 0 BGAEMN CCNc1ccnc2c(C)ccc(F)c12 ZINC000050844239 170175403 /nfs/dbraw/zinc/17/54/03/170175403.db2.gz CKZNZWHUYBCVOP-UHFFFAOYSA-N 0 1 204.248 3.114 10 0 BGAEMN CCNc1ccnc2c(C)c(F)ccc12 ZINC000050844437 170175694 /nfs/dbraw/zinc/17/56/94/170175694.db2.gz WSWNRMYZQXEDQQ-UHFFFAOYSA-N 0 1 204.248 3.114 10 0 BGAEMN CCNc1cc(C(C)C)nc(N2CCCCC2)n1 ZINC000050851883 132359490 /nfs/dbraw/zinc/35/94/90/132359490.db2.gz IPDURXGHMYZYGR-UHFFFAOYSA-N 0 1 248.374 3.022 10 0 BGAEMN CCNc1c(C)c(C)nc2c(OC)cccc21 ZINC000050868687 170170305 /nfs/dbraw/zinc/17/03/05/170170305.db2.gz NMUTWHHVOSAYMK-UHFFFAOYSA-N 0 1 230.311 3.292 10 0 BGAEMN CCNc1cc(C)nc2cc(F)cc(F)c21 ZINC000050868740 170172500 /nfs/dbraw/zinc/17/25/00/170172500.db2.gz OIJTUEMTCOBHGE-UHFFFAOYSA-N 0 1 222.238 3.253 10 0 BGAEMN CNc1cc(C)nc2ccc(Cl)cc21 ZINC000050869612 384513246 /nfs/dbraw/zinc/51/32/46/384513246.db2.gz YTGOTPXOGAWQKC-UHFFFAOYSA-N 0 1 206.676 3.238 10 0 BGAEMN CCNc1cc(C)nc2cc(F)c(F)cc21 ZINC000050870033 170171737 /nfs/dbraw/zinc/17/17/37/170171737.db2.gz OPTLZQOBICELOC-UHFFFAOYSA-N 0 1 222.238 3.253 10 0 BGAEMN CC(C)c1nc(-c2ccc(Cl)s2)n[nH]1 ZINC000051172474 346974139 /nfs/dbraw/zinc/97/41/39/346974139.db2.gz XOOTYBJTGVWDDN-UHFFFAOYSA-N 0 1 227.720 3.310 10 0 BGAEMN CC(C)c1n[nH]c(-c2ccc(Cl)s2)n1 ZINC000051172474 346974136 /nfs/dbraw/zinc/97/41/36/346974136.db2.gz XOOTYBJTGVWDDN-UHFFFAOYSA-N 0 1 227.720 3.310 10 0 BGAEMN CCCc1n[nH]c(-c2ccc(Cl)s2)n1 ZINC000051172476 346974427 /nfs/dbraw/zinc/97/44/27/346974427.db2.gz RZYDJRKCTRGTDN-UHFFFAOYSA-N 0 1 227.720 3.139 10 0 BGAEMN CCCc1nc(-c2ccc(Cl)s2)n[nH]1 ZINC000051172476 346974423 /nfs/dbraw/zinc/97/44/23/346974423.db2.gz RZYDJRKCTRGTDN-UHFFFAOYSA-N 0 1 227.720 3.139 10 0 BGAEMN Clc1ccc(-c2n[nH]c(C3CC3)n2)s1 ZINC000051172478 346973952 /nfs/dbraw/zinc/97/39/52/346973952.db2.gz CSKMJHGCDQDTON-UHFFFAOYSA-N 0 1 225.704 3.064 10 0 BGAEMN Clc1ccc(-c2nc(C3CC3)n[nH]2)s1 ZINC000051172478 346973950 /nfs/dbraw/zinc/97/39/50/346973950.db2.gz CSKMJHGCDQDTON-UHFFFAOYSA-N 0 1 225.704 3.064 10 0 BGAEMN CC[C@H](C)[N@@H+](CC)CC1(C(=O)[O-])CCCCC1 ZINC000051287642 171311680 /nfs/dbraw/zinc/31/16/80/171311680.db2.gz ARHASORPAHYVKD-LBPRGKRZSA-N 0 1 241.375 3.142 10 0 BGAEMN CCC(CC)(C[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000051288939 168321713 /nfs/dbraw/zinc/32/17/13/168321713.db2.gz JHLQCNKVRWKOOP-NSHDSACASA-N 0 1 243.391 3.244 10 0 BGAEMN CCC(CC)(C[N@@H+](C)[C@H](C)C(C)(C)C)C(=O)[O-] ZINC000051288941 168321570 /nfs/dbraw/zinc/32/15/70/168321570.db2.gz JHLQCNKVRWKOOP-LLVKDONJSA-N 0 1 243.391 3.244 10 0 BGAEMN CCC(CC)C[N@@H+](CC)C[C@@](C)(CC)C(=O)[O-] ZINC000051289660 168348540 /nfs/dbraw/zinc/34/85/40/168348540.db2.gz INWFPNAWDMXBAM-CQSZACIVSA-N 0 1 243.391 3.245 10 0 BGAEMN CCC(CC)C[N@@H+](CC)C[C@](C)(CC)C(=O)[O-] ZINC000051289662 168348694 /nfs/dbraw/zinc/34/86/94/168348694.db2.gz INWFPNAWDMXBAM-AWEZNQCLSA-N 0 1 243.391 3.245 10 0 BGAEMN CCNCc1csc(C(CC)CC)n1 ZINC000051690628 170130779 /nfs/dbraw/zinc/13/07/79/170130779.db2.gz CQQUPBSZVXTFFC-UHFFFAOYSA-N 0 1 212.362 3.156 10 0 BGAEMN CCNc1cc(COC)nc2cc(C)cc(C)c21 ZINC000051698502 170172030 /nfs/dbraw/zinc/17/20/30/170172030.db2.gz TZQZCQCVBHCESM-UHFFFAOYSA-N 0 1 244.338 3.430 10 0 BGAEMN Cc1ccc(C(=O)CN2CC[C@H](C)C[C@@H]2C)cc1 ZINC000051733611 178373884 /nfs/dbraw/zinc/37/38/84/178373884.db2.gz CDCQHXTWKNTECX-KBPBESRZSA-N 0 1 245.366 3.298 10 0 BGAEMN Cc1ccc(C(=O)CN2CC[C@@H](C)C[C@@H]2C)cc1 ZINC000051733613 178373352 /nfs/dbraw/zinc/37/33/52/178373352.db2.gz CDCQHXTWKNTECX-KGLIPLIRSA-N 0 1 245.366 3.298 10 0 BGAEMN CCNCc1csc(Cc2ccc(C)cc2)n1 ZINC000051753081 170130613 /nfs/dbraw/zinc/13/06/13/170130613.db2.gz LRFPNKWJICAETK-UHFFFAOYSA-N 0 1 246.379 3.152 10 0 BGAEMN COc1ccc(F)cc1[C@H](C)NCc1ccc[nH]1 ZINC000051788833 175133264 /nfs/dbraw/zinc/13/32/64/175133264.db2.gz JBFGOVSKXFRCQQ-JTQLQIEISA-N 0 1 248.301 3.013 10 0 BGAEMN COc1ccc(F)cc1[C@@H](C)NCc1ccc[nH]1 ZINC000051788834 175131986 /nfs/dbraw/zinc/13/19/86/175131986.db2.gz JBFGOVSKXFRCQQ-SNVBAGLBSA-N 0 1 248.301 3.013 10 0 BGAEMN Cc1cc([C@@H](C)NCc2ccc[nH]2)c(C)o1 ZINC000051789680 178228860 /nfs/dbraw/zinc/22/88/60/178228860.db2.gz IOSHANZHQZNOHY-SNVBAGLBSA-N 0 1 218.300 3.075 10 0 BGAEMN Cc1cc([C@H](C)NCc2ccc[nH]2)c(C)o1 ZINC000051789682 178251320 /nfs/dbraw/zinc/25/13/20/178251320.db2.gz IOSHANZHQZNOHY-JTQLQIEISA-N 0 1 218.300 3.075 10 0 BGAEMN Cc1ccc2nc(-c3ncccc3C)[nH]c2c1 ZINC000051813417 188299972 /nfs/dbraw/zinc/29/99/72/188299972.db2.gz BPAUEVRVKBXKQR-UHFFFAOYSA-N 0 1 223.279 3.242 10 0 BGAEMN CCc1c2cc(Cl)ccc2oc1CN ZINC000052068849 350902672 /nfs/dbraw/zinc/90/26/72/350902672.db2.gz IBXZJRMCEIONAJ-UHFFFAOYSA-N 0 1 209.676 3.107 10 0 BGAEMN CC(C)c1c2cc(F)ccc2oc1CN ZINC000052068863 167554892 /nfs/dbraw/zinc/55/48/92/167554892.db2.gz NQFHCZHQYVLWEM-UHFFFAOYSA-N 0 1 207.248 3.154 10 0 BGAEMN Cc1c2cc(Cl)cc(C)c2oc1CN ZINC000052068873 350902428 /nfs/dbraw/zinc/90/24/28/350902428.db2.gz MWCYGXHBXWRNNT-UHFFFAOYSA-N 0 1 209.676 3.162 10 0 BGAEMN NCc1cc2cc(Cl)cc(Cl)c2o1 ZINC000052068922 385634034 /nfs/dbraw/zinc/63/40/34/385634034.db2.gz BXRMCTROIHHBRP-UHFFFAOYSA-N 0 1 216.067 3.198 10 0 BGAEMN Cc1cc2oc(CN)cc2c(C)c1Cl ZINC000052069005 350902707 /nfs/dbraw/zinc/90/27/07/350902707.db2.gz XOALCELSVIGGMH-UHFFFAOYSA-N 0 1 209.676 3.162 10 0 BGAEMN Cc1cccc(-n2c(N)nc3ccc(F)cc32)c1 ZINC000052122876 179000559 /nfs/dbraw/zinc/00/05/59/179000559.db2.gz DOSICLCTIHDZGQ-UHFFFAOYSA-N 0 1 241.269 3.055 10 0 BGAEMN Nc1nc2ccc(F)cc2n1C(C1CC1)C1CC1 ZINC000052123048 181792647 /nfs/dbraw/zinc/79/26/47/181792647.db2.gz WYCAHEDPESTJKN-UHFFFAOYSA-N 0 1 245.301 3.119 10 0 BGAEMN Cc1cccc(Cc2n[nH]c(C3CCCC3)n2)c1 ZINC000052136499 188299717 /nfs/dbraw/zinc/29/97/17/188299717.db2.gz USJHNFHTADLRDR-UHFFFAOYSA-N 0 1 241.338 3.362 10 0 BGAEMN Cc1cccc(Cc2nc(C3CCCC3)n[nH]2)c1 ZINC000052136499 188299715 /nfs/dbraw/zinc/29/97/15/188299715.db2.gz USJHNFHTADLRDR-UHFFFAOYSA-N 0 1 241.338 3.362 10 0 BGAEMN C[C@@H]1C[C@@H]1N[C@@H](c1ccccc1)c1ccccn1 ZINC000052270188 384725961 /nfs/dbraw/zinc/72/59/61/384725961.db2.gz NSGJTFWPPZBLTO-KCXAZCMYSA-N 0 1 238.334 3.169 10 0 BGAEMN C[C@@H]1C[C@H]1N[C@@H](c1ccccc1)c1ccccn1 ZINC000052270194 384725707 /nfs/dbraw/zinc/72/57/07/384725707.db2.gz NSGJTFWPPZBLTO-WQVCFCJDSA-N 0 1 238.334 3.169 10 0 BGAEMN C[C@@H]1C[C@@H]1N[C@H](c1ccco1)c1ccccc1 ZINC000052270864 176405261 /nfs/dbraw/zinc/40/52/61/176405261.db2.gz MKIQTKBRTXLYKK-ZLDLUXBVSA-N 0 1 227.307 3.367 10 0 BGAEMN C[C@@H]1C[C@@H]1NCc1c(Cl)cccc1Cl ZINC000052271699 384712694 /nfs/dbraw/zinc/71/26/94/384712694.db2.gz LEDITOGBSRIAFT-HQJQHLMTSA-N 0 1 230.138 3.491 10 0 BGAEMN C[C@H]1C[C@@H]1NCc1c(Cl)cccc1Cl ZINC000052271700 322853088 /nfs/dbraw/zinc/85/30/88/322853088.db2.gz LEDITOGBSRIAFT-CPCISQLKSA-N 0 1 230.138 3.491 10 0 BGAEMN C[C@@H]1C[C@H]1NCc1c(Cl)cccc1Cl ZINC000052271702 322852993 /nfs/dbraw/zinc/85/29/93/322852993.db2.gz LEDITOGBSRIAFT-RDDDGLTNSA-N 0 1 230.138 3.491 10 0 BGAEMN C[C@H]1C[C@H]1NCc1c(Cl)cccc1Cl ZINC000052271704 322852989 /nfs/dbraw/zinc/85/29/89/322852989.db2.gz LEDITOGBSRIAFT-WRWORJQWSA-N 0 1 230.138 3.491 10 0 BGAEMN CCC1=NN(C2CCCCC2)C(=S)C1 ZINC000052305705 350983446 /nfs/dbraw/zinc/98/34/46/350983446.db2.gz KUTFATZMEUCFSC-UHFFFAOYSA-N 0 1 210.346 3.239 10 0 BGAEMN CCn1ccnc1N[C@@H](C)C1CCCCC1 ZINC000052340853 172227779 /nfs/dbraw/zinc/22/77/79/172227779.db2.gz LWZNUPGCUJUEJX-NSHDSACASA-N 0 1 221.348 3.284 10 0 BGAEMN CCn1ccnc1N[C@H](C)C1CCCCC1 ZINC000052340855 172227725 /nfs/dbraw/zinc/22/77/25/172227725.db2.gz LWZNUPGCUJUEJX-LLVKDONJSA-N 0 1 221.348 3.284 10 0 BGAEMN Cc1cc(CO[C@@H]2CCCC[C@@H]2C)oc1CN ZINC000052620735 178048696 /nfs/dbraw/zinc/04/86/96/178048696.db2.gz RYLMEDHRTYWMGQ-GXFFZTMASA-N 0 1 237.343 3.142 10 0 BGAEMN Cc1cc(CO[C@H]2CCCC[C@@H]2C)oc1CN ZINC000052620738 178048814 /nfs/dbraw/zinc/04/88/14/178048814.db2.gz RYLMEDHRTYWMGQ-GWCFXTLKSA-N 0 1 237.343 3.142 10 0 BGAEMN Cc1cc(CO[C@@H]2CCCC[C@H]2C)oc1CN ZINC000052620740 178049594 /nfs/dbraw/zinc/04/95/94/178049594.db2.gz RYLMEDHRTYWMGQ-ZWNOBZJWSA-N 0 1 237.343 3.142 10 0 BGAEMN Cc1cc(CO[C@H]2CCCC[C@H]2C)oc1CN ZINC000052620744 178048521 /nfs/dbraw/zinc/04/85/21/178048521.db2.gz RYLMEDHRTYWMGQ-MFKMUULPSA-N 0 1 237.343 3.142 10 0 BGAEMN C[C@H](OCc1ccc(CN)o1)c1ccccc1 ZINC000052624022 177021724 /nfs/dbraw/zinc/02/17/24/177021724.db2.gz RIAVPZORBPPOEN-NSHDSACASA-N 0 1 231.295 3.016 10 0 BGAEMN C[C@@H](OCc1ccc(CN)o1)c1ccccc1 ZINC000052624025 176003283 /nfs/dbraw/zinc/00/32/83/176003283.db2.gz RIAVPZORBPPOEN-LLVKDONJSA-N 0 1 231.295 3.016 10 0 BGAEMN C[C@H](OCc1ccoc1CN)c1ccccc1 ZINC000052624051 177021733 /nfs/dbraw/zinc/02/17/33/177021733.db2.gz XQSJIZVOPCKTHV-NSHDSACASA-N 0 1 231.295 3.016 10 0 BGAEMN C[C@@H](OCc1ccoc1CN)c1ccccc1 ZINC000052624053 176003178 /nfs/dbraw/zinc/00/31/78/176003178.db2.gz XQSJIZVOPCKTHV-LLVKDONJSA-N 0 1 231.295 3.016 10 0 BGAEMN CC(C)(C)OCc1c2ccccc2oc1CN ZINC000052629638 166684516 /nfs/dbraw/zinc/68/45/16/166684516.db2.gz JOCBIIWOPKZRJV-UHFFFAOYSA-N 0 1 233.311 3.207 10 0 BGAEMN Cc1cc(CO[C@@H]2CCC[C@H](C)C2)oc1CN ZINC000052631971 178049358 /nfs/dbraw/zinc/04/93/58/178049358.db2.gz RZMCAUGWEWKKEF-CMPLNLGQSA-N 0 1 237.343 3.142 10 0 BGAEMN Cc1cc(CO[C@H]2CCC[C@H](C)C2)oc1CN ZINC000052631972 178048560 /nfs/dbraw/zinc/04/85/60/178048560.db2.gz RZMCAUGWEWKKEF-JQWIXIFHSA-N 0 1 237.343 3.142 10 0 BGAEMN Cc1cc(CO[C@@H]2CCC[C@@H](C)C2)oc1CN ZINC000052631973 178049466 /nfs/dbraw/zinc/04/94/66/178049466.db2.gz RZMCAUGWEWKKEF-ZYHUDNBSSA-N 0 1 237.343 3.142 10 0 BGAEMN Cc1cc(CO[C@H]2CCC[C@@H](C)C2)oc1CN ZINC000052631974 178049034 /nfs/dbraw/zinc/04/90/34/178049034.db2.gz RZMCAUGWEWKKEF-PWSUYJOCSA-N 0 1 237.343 3.142 10 0 BGAEMN Cc1cc(COc2cccc(C)c2C)oc1CN ZINC000052654694 178049398 /nfs/dbraw/zinc/04/93/98/178049398.db2.gz PSQHIAMXLWDIDB-UHFFFAOYSA-N 0 1 245.322 3.243 10 0 BGAEMN Cc1cc(CN[C@@H](C)c2ccco2)c(C)n1C ZINC000052789847 178030988 /nfs/dbraw/zinc/03/09/88/178030988.db2.gz ZAJFLEWEPFXUAN-NSHDSACASA-N 0 1 232.327 3.086 10 0 BGAEMN Cc1cc(CN[C@H](C)c2ccco2)c(C)n1C ZINC000052789848 178038892 /nfs/dbraw/zinc/03/88/92/178038892.db2.gz ZAJFLEWEPFXUAN-LLVKDONJSA-N 0 1 232.327 3.086 10 0 BGAEMN Cc1ccc([C@H](C)NCc2cc(C)n(C)c2C)o1 ZINC000052789946 178891769 /nfs/dbraw/zinc/89/17/69/178891769.db2.gz POKRKOISYMUXPL-LBPRGKRZSA-N 0 1 246.354 3.394 10 0 BGAEMN CC(C)Cn1c2ccc(N)cc2nc1C(C)C ZINC000052842078 187271100 /nfs/dbraw/zinc/27/11/00/187271100.db2.gz CFFCFWBXSWAWQK-UHFFFAOYSA-N 0 1 231.343 3.398 10 0 BGAEMN CCc1nc2cc(N)ccc2n1C1CCCC1 ZINC000052842085 172011228 /nfs/dbraw/zinc/01/12/28/172011228.db2.gz ZSQNBZVPVDMKQB-UHFFFAOYSA-N 0 1 229.327 3.296 10 0 BGAEMN CCC(C)(C)n1c(C)nc2cc(N)ccc21 ZINC000052842364 168307350 /nfs/dbraw/zinc/30/73/50/168307350.db2.gz AZHBXHWNWMMRCY-UHFFFAOYSA-N 0 1 217.316 3.072 10 0 BGAEMN CCc1nc2cc(N)ccc2n1C(C)(C)CC ZINC000052842366 172010628 /nfs/dbraw/zinc/01/06/28/172010628.db2.gz VQABPLVBYWZDSL-UHFFFAOYSA-N 0 1 231.343 3.326 10 0 BGAEMN Cc1nc2cc(N)ccc2n1[C@@H](C)C(C)C ZINC000052852163 180080924 /nfs/dbraw/zinc/08/09/24/180080924.db2.gz UYADYNZVNFTRIF-VIFPVBQESA-N 0 1 217.316 3.144 10 0 BGAEMN Cc1nc2cc(N)ccc2n1[C@H](C)C(C)C ZINC000052852164 180081160 /nfs/dbraw/zinc/08/11/60/180081160.db2.gz UYADYNZVNFTRIF-SECBINFHSA-N 0 1 217.316 3.144 10 0 BGAEMN CCC[C@@H](C)n1c(C)nc2cc(N)ccc21 ZINC000052852339 169375752 /nfs/dbraw/zinc/37/57/52/169375752.db2.gz BCHIYMDQDYCGAG-SECBINFHSA-N 0 1 217.316 3.288 10 0 BGAEMN Cc1nc2cc(N)ccc2n1Cc1cccs1 ZINC000052852461 180081692 /nfs/dbraw/zinc/08/16/92/180081692.db2.gz SIXOSFLOZOHPHV-UHFFFAOYSA-N 0 1 243.335 3.037 10 0 BGAEMN Cc1nc2cc(N)ccc2n1[C@@H](C)c1ccco1 ZINC000052852804 180081108 /nfs/dbraw/zinc/08/11/08/180081108.db2.gz VIDMQHXNRDLQMR-VIFPVBQESA-N 0 1 241.294 3.129 10 0 BGAEMN Cc1nc2cc(N)ccc2n1[C@H](C)c1ccco1 ZINC000052852805 180082405 /nfs/dbraw/zinc/08/24/05/180082405.db2.gz VIDMQHXNRDLQMR-SECBINFHSA-N 0 1 241.294 3.129 10 0 BGAEMN CCc1nc2cc(N)ccc2n1[C@@H]1CC1(C)C ZINC000052854008 172010196 /nfs/dbraw/zinc/01/01/96/172010196.db2.gz ATQLTWHDIZRGFX-GFCCVEGCSA-N 0 1 229.327 3.152 10 0 BGAEMN CCc1nc2cc(N)ccc2n1[C@H]1CC1(C)C ZINC000052854010 172009918 /nfs/dbraw/zinc/00/99/18/172009918.db2.gz ATQLTWHDIZRGFX-LBPRGKRZSA-N 0 1 229.327 3.152 10 0 BGAEMN CN[C@@H](c1cccc(OC)c1)c1ccccc1F ZINC000052897824 173429567 /nfs/dbraw/zinc/42/95/67/173429567.db2.gz KTAVVPGSHCUBJQ-HNNXBMFYSA-N 0 1 245.297 3.143 10 0 BGAEMN CCN[C@@H](c1ccccc1F)c1ncccc1C ZINC000052898295 170148662 /nfs/dbraw/zinc/14/86/62/170148662.db2.gz ZZGVAWAXJHJVMO-HNNXBMFYSA-N 0 1 244.313 3.228 10 0 BGAEMN CCN[C@H](c1ccccc1F)c1ncccc1C ZINC000052898297 170164707 /nfs/dbraw/zinc/16/47/07/170164707.db2.gz ZZGVAWAXJHJVMO-OAHLLOKOSA-N 0 1 244.313 3.228 10 0 BGAEMN c1ccc(CNC2=NC3(CCCC3)CS2)cc1 ZINC000053045197 353371335 /nfs/dbraw/zinc/37/13/35/353371335.db2.gz JLSHQFZRRCKNPA-UHFFFAOYSA-N 0 1 246.379 3.192 10 0 BGAEMN c1c2ccccc2oc1C1=CN2CCC1CC2 ZINC000053151300 347142293 /nfs/dbraw/zinc/14/22/93/347142293.db2.gz AYQKIBOBFAZBCX-UHFFFAOYSA-N 0 1 225.291 3.499 10 0 BGAEMN CCc1ccc([C@H](N)c2ncccc2C)cc1 ZINC000053297216 171844105 /nfs/dbraw/zinc/84/41/05/171844105.db2.gz VBIUKBCPNHFSJU-AWEZNQCLSA-N 0 1 226.323 3.001 10 0 BGAEMN Cc1cccc([C@H](N)c2ncccc2C)c1C ZINC000053330200 179398152 /nfs/dbraw/zinc/39/81/52/179398152.db2.gz BYKUEUCGDFYVIK-AWEZNQCLSA-N 0 1 226.323 3.055 10 0 BGAEMN Cc1cccc([C@@H](N)c2ncccc2C)c1C ZINC000053330204 179397071 /nfs/dbraw/zinc/39/70/71/179397071.db2.gz BYKUEUCGDFYVIK-CQSZACIVSA-N 0 1 226.323 3.055 10 0 BGAEMN CCCNCc1nnc(C2CCCCCC2)o1 ZINC000053716370 169268996 /nfs/dbraw/zinc/26/89/96/169268996.db2.gz YRINNVBPSZPKCL-UHFFFAOYSA-N 0 1 237.347 3.007 10 0 BGAEMN CNCc1csc(Cc2cc(C)cc(C)c2)n1 ZINC000053749804 173392859 /nfs/dbraw/zinc/39/28/59/173392859.db2.gz LMGUEYNWUBOZMP-UHFFFAOYSA-N 0 1 246.379 3.070 10 0 BGAEMN CCCN[C@@H](CCC(C)(C)C)c1ncccn1 ZINC000053829333 169277962 /nfs/dbraw/zinc/27/79/62/169277962.db2.gz WNYRVBZADCOGPL-LBPRGKRZSA-N 0 1 235.375 3.344 10 0 BGAEMN CCCN[C@H](CCC(C)(C)C)c1ncccn1 ZINC000053829335 169289104 /nfs/dbraw/zinc/28/91/04/169289104.db2.gz WNYRVBZADCOGPL-GFCCVEGCSA-N 0 1 235.375 3.344 10 0 BGAEMN CC[C@@H](C)n1c2cc(Cl)ccc2nc1CN ZINC000053994585 384814811 /nfs/dbraw/zinc/81/48/11/384814811.db2.gz CAOSCZVOHQLGCA-MRVPVSSYSA-N 0 1 237.734 3.119 10 0 BGAEMN CN[C@H](C)c1nc(-c2ccc(C(C)C)cc2)no1 ZINC000054053219 635340231 /nfs/dbraw/zinc/34/02/31/635340231.db2.gz MDMRFTRWDPCBRN-SNVBAGLBSA-N 0 1 245.326 3.140 10 0 BGAEMN C[C@H]1NC[C@@H](c2ccccc2)O[C@@H]1c1ccco1 ZINC000054084825 187316685 /nfs/dbraw/zinc/31/66/85/187316685.db2.gz XRVICNYXOPEGGC-UGFHNGPFSA-N 0 1 243.306 3.070 10 0 BGAEMN N[C@H](c1cccs1)c1cccc(F)c1F ZINC000054189578 181635361 /nfs/dbraw/zinc/63/53/61/181635361.db2.gz PENOBDJHJGZTAD-NSHDSACASA-N 0 1 225.263 3.074 10 0 BGAEMN Cc1cc([C@H](N)c2cccc(F)c2F)c(C)o1 ZINC000054205353 178262039 /nfs/dbraw/zinc/26/20/39/178262039.db2.gz HKDXAZGOCQADKN-CYBMUJFWSA-N 0 1 237.249 3.223 10 0 BGAEMN Cc1cc([C@@H](N)c2cccc(F)c2F)c(C)o1 ZINC000054205354 178237837 /nfs/dbraw/zinc/23/78/37/178237837.db2.gz HKDXAZGOCQADKN-ZDUSSCGKSA-N 0 1 237.249 3.223 10 0 BGAEMN N[C@H](Cc1ccc(Cl)s1)c1ccco1 ZINC000054455794 385536365 /nfs/dbraw/zinc/53/63/65/385536365.db2.gz ZUTSZVXFPYGDEW-MRVPVSSYSA-N 0 1 227.716 3.237 10 0 BGAEMN N[C@@H](Cc1ccc(Cl)s1)c1ccco1 ZINC000054455796 385536642 /nfs/dbraw/zinc/53/66/42/385536642.db2.gz ZUTSZVXFPYGDEW-QMMMGPOBSA-N 0 1 227.716 3.237 10 0 BGAEMN CCC[C@@H](CC)Nc1[nH+]c(C)ccc1C(=O)[O-] ZINC000054528518 169380383 /nfs/dbraw/zinc/38/03/83/169380383.db2.gz XHTWYAWDICQBHU-SNVBAGLBSA-N 0 1 236.315 3.079 10 0 BGAEMN C[C@@H](c1cccc(F)c1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054626985 176017966 /nfs/dbraw/zinc/01/79/66/176017966.db2.gz CXPBUWIVKRSYTK-LEWSCRJBSA-N 0 1 247.313 3.083 10 0 BGAEMN C[C@H](c1cccc(F)c1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054626987 177036228 /nfs/dbraw/zinc/03/62/28/177036228.db2.gz CXPBUWIVKRSYTK-HONMWMINSA-N 0 1 247.313 3.083 10 0 BGAEMN CC[C@@H](C)c1nc(-c2cccs2)n[nH]1 ZINC000054699958 343697522 /nfs/dbraw/zinc/69/75/22/343697522.db2.gz MQEVAZLNQPLAQO-SSDOTTSWSA-N 0 1 207.302 3.047 10 0 BGAEMN CC[C@@H](C)c1n[nH]c(-c2cccs2)n1 ZINC000054699958 343697521 /nfs/dbraw/zinc/69/75/21/343697521.db2.gz MQEVAZLNQPLAQO-SSDOTTSWSA-N 0 1 207.302 3.047 10 0 BGAEMN CC[C@H](C)c1nc(-c2cccs2)n[nH]1 ZINC000054699959 343697740 /nfs/dbraw/zinc/69/77/40/343697740.db2.gz MQEVAZLNQPLAQO-ZETCQYMHSA-N 0 1 207.302 3.047 10 0 BGAEMN CC[C@H](C)c1n[nH]c(-c2cccs2)n1 ZINC000054699959 343697738 /nfs/dbraw/zinc/69/77/38/343697738.db2.gz MQEVAZLNQPLAQO-ZETCQYMHSA-N 0 1 207.302 3.047 10 0 BGAEMN C[C@H](NCc1cncs1)c1ccc(F)cc1 ZINC000054770104 176881772 /nfs/dbraw/zinc/88/17/72/176881772.db2.gz WTRSWRCTJYPHJF-VIFPVBQESA-N 0 1 236.315 3.133 10 0 BGAEMN CC(C)Cc1c(CN)oc2cc(F)cc(F)c21 ZINC000054932639 188126676 /nfs/dbraw/zinc/12/66/76/188126676.db2.gz FBBKDWZZXCDOGJ-UHFFFAOYSA-N 0 1 239.265 3.368 10 0 BGAEMN CCN[C@H](c1ccccn1)c1ccc(F)cc1C ZINC000055222954 170165022 /nfs/dbraw/zinc/16/50/22/170165022.db2.gz JQFKKSGBGLJJTA-HNNXBMFYSA-N 0 1 244.313 3.228 10 0 BGAEMN CCN[C@@H](c1ccccn1)c1ccc(F)cc1C ZINC000055222956 170148900 /nfs/dbraw/zinc/14/89/00/170148900.db2.gz JQFKKSGBGLJJTA-OAHLLOKOSA-N 0 1 244.313 3.228 10 0 BGAEMN CCN[C@@H](c1ccncc1)c1cc(C)ccc1F ZINC000055223192 170148183 /nfs/dbraw/zinc/14/81/83/170148183.db2.gz RJKLFPBWOQDGLR-HNNXBMFYSA-N 0 1 244.313 3.228 10 0 BGAEMN CCN[C@H](c1ccncc1)c1cc(C)ccc1F ZINC000055223194 170164868 /nfs/dbraw/zinc/16/48/68/170164868.db2.gz RJKLFPBWOQDGLR-OAHLLOKOSA-N 0 1 244.313 3.228 10 0 BGAEMN CCN[C@@H](c1ccco1)c1cc(F)ccc1C ZINC000055229583 170148921 /nfs/dbraw/zinc/14/89/21/170148921.db2.gz WWYQDFIFFWLVTB-CQSZACIVSA-N 0 1 233.286 3.426 10 0 BGAEMN CCN[C@H](c1ccco1)c1cc(F)ccc1C ZINC000055229584 170165047 /nfs/dbraw/zinc/16/50/47/170165047.db2.gz WWYQDFIFFWLVTB-AWEZNQCLSA-N 0 1 233.286 3.426 10 0 BGAEMN CCOc1ccccc1[C@@H](N)c1ccsc1 ZINC000055240421 170598618 /nfs/dbraw/zinc/59/86/18/170598618.db2.gz XAHXBMUQVOCMNN-ZDUSSCGKSA-N 0 1 233.336 3.195 10 0 BGAEMN CC(C)c1nc2cccc(Br)c2[nH]1 ZINC000057348333 384746466 /nfs/dbraw/zinc/74/64/66/384746466.db2.gz JHVZRNKERPFRIP-UHFFFAOYSA-N 0 1 239.116 3.449 10 0 BGAEMN Cc1cc(N)ccc1N1C[C@H](C)C[C@H](C)C1 ZINC000057381066 132237032 /nfs/dbraw/zinc/23/70/32/132237032.db2.gz YWEYVVKEGSIKCJ-PHIMTYICSA-N 0 1 218.344 3.060 10 0 BGAEMN Cc1cc(N)ccc1N1C[C@@H](C)C[C@H](C)C1 ZINC000057381067 132237042 /nfs/dbraw/zinc/23/70/42/132237042.db2.gz YWEYVVKEGSIKCJ-QWRGUYRKSA-N 0 1 218.344 3.060 10 0 BGAEMN Cc1cc(N)ccc1N1C[C@H](C)C[C@@H](C)C1 ZINC000057381068 132236792 /nfs/dbraw/zinc/23/67/92/132236792.db2.gz YWEYVVKEGSIKCJ-GHMZBOCLSA-N 0 1 218.344 3.060 10 0 BGAEMN C[C@@H]1CCCC[N@H+]1[C@@H](CC(=O)[O-])c1ccccc1 ZINC000057536496 176075683 /nfs/dbraw/zinc/07/56/83/176075683.db2.gz BYSQIIBLJSMOPX-OCCSQVGLSA-N 0 1 247.338 3.077 10 0 BGAEMN C[C@H]1CCCC[N@H+]1[C@@H](CC(=O)[O-])c1ccccc1 ZINC000057536498 177078274 /nfs/dbraw/zinc/07/82/74/177078274.db2.gz BYSQIIBLJSMOPX-JSGCOSHPSA-N 0 1 247.338 3.077 10 0 BGAEMN Cc1nc([C@@H](N)c2cccc(C)c2)sc1C ZINC000058432061 179200999 /nfs/dbraw/zinc/20/09/99/179200999.db2.gz DCERPDHEXDRGBG-LBPRGKRZSA-N 0 1 232.352 3.116 10 0 BGAEMN Cc1nc([C@H](N)c2cccc(C)c2)sc1C ZINC000058432066 179187311 /nfs/dbraw/zinc/18/73/11/179187311.db2.gz DCERPDHEXDRGBG-GFCCVEGCSA-N 0 1 232.352 3.116 10 0 BGAEMN CC(C)(C)c1cc(CCc2ccccc2)n[nH]1 ZINC000059860909 368334983 /nfs/dbraw/zinc/33/49/83/368334983.db2.gz DLJIHTBJYNJOFQ-UHFFFAOYSA-N 0 1 228.339 3.492 10 0 BGAEMN COc1ccc2c(c1)CCC1=C2CCC[N@H+]1C ZINC000060214622 349279736 /nfs/dbraw/zinc/27/97/36/349279736.db2.gz RUFQWTNWPWPDJS-UHFFFAOYSA-N 0 1 229.323 3.078 10 0 BGAEMN Cc1cc(N2Cc3ccccc3C2=N)ccc1F ZINC000061118738 178122470 /nfs/dbraw/zinc/12/24/70/178122470.db2.gz GZLFASSSNVAVRI-UHFFFAOYSA-N 0 1 240.281 3.480 10 0 BGAEMN CCn1ccnc1N[C@@H](C)c1ccsc1 ZINC000061364411 172228012 /nfs/dbraw/zinc/22/80/12/172228012.db2.gz YNUJZASFFXXOID-VIFPVBQESA-N 0 1 221.329 3.138 10 0 BGAEMN CCn1ccnc1N[C@H](C)c1ccsc1 ZINC000061364412 172227749 /nfs/dbraw/zinc/22/77/49/172227749.db2.gz YNUJZASFFXXOID-SECBINFHSA-N 0 1 221.329 3.138 10 0 BGAEMN CCCCCC(=O)C=C(O)C1CCCC1 ZINC000061442256 640965741 /nfs/dbraw/zinc/96/57/41/640965741.db2.gz KOCZKCDDSNTKOC-UHFFFAOYSA-N 0 1 210.317 3.285 10 0 BGAEMN CCCC[C@H](CC)c1nnc([C@@H](CC)NC)o1 ZINC000061511799 169000583 /nfs/dbraw/zinc/00/05/83/169000583.db2.gz OGZVJPQTKIHHEL-WDEREUQCSA-N 0 1 239.363 3.424 10 0 BGAEMN CCCC[C@H](CC)c1nnc([C@H](CC)NC)o1 ZINC000061511803 169001334 /nfs/dbraw/zinc/00/13/34/169001334.db2.gz OGZVJPQTKIHHEL-QWRGUYRKSA-N 0 1 239.363 3.424 10 0 BGAEMN CCN[C@@H](CC)c1nnc(-c2ccc(C)cc2)o1 ZINC000061512952 170143813 /nfs/dbraw/zinc/14/38/13/170143813.db2.gz PLOTURYUKWQGKL-LBPRGKRZSA-N 0 1 245.326 3.106 10 0 BGAEMN CCN[C@H](CC)c1nnc(-c2ccc(C)cc2)o1 ZINC000061512956 170161454 /nfs/dbraw/zinc/16/14/54/170161454.db2.gz PLOTURYUKWQGKL-GFCCVEGCSA-N 0 1 245.326 3.106 10 0 BGAEMN N[C@@H](c1ccsc1)c1ccc(F)c(F)c1F ZINC000061838319 181568422 /nfs/dbraw/zinc/56/84/22/181568422.db2.gz UVZWGMWWAFHIND-NSHDSACASA-N 0 1 243.253 3.214 10 0 BGAEMN S=c1nc(-c2ccc3ccccc3c2)[nH]o1 ZINC000061881064 385142620 /nfs/dbraw/zinc/14/26/20/385142620.db2.gz UYDYJPVWLZSPAA-UHFFFAOYSA-N 0 1 228.276 3.179 10 0 BGAEMN S=c1nc(-c2ccc(Cl)cc2)[nH]o1 ZINC000061881089 346176719 /nfs/dbraw/zinc/17/67/19/346176719.db2.gz YGNLSZIEDZSDMJ-UHFFFAOYSA-N 0 1 212.661 3.053 10 0 BGAEMN C[C@H](CCN1CCC(=O)[C@H](C)C1)c1ccccc1 ZINC000061910670 176292316 /nfs/dbraw/zinc/29/23/16/176292316.db2.gz DTSONSUSCDMOTC-ZIAGYGMSSA-N 0 1 245.366 3.091 10 0 BGAEMN C[C@H](CCN1CCC(=O)[C@@H](C)C1)c1ccccc1 ZINC000061910671 177254597 /nfs/dbraw/zinc/25/45/97/177254597.db2.gz DTSONSUSCDMOTC-KGLIPLIRSA-N 0 1 245.366 3.091 10 0 BGAEMN CC(C)NCc1csc(CSC(C)C)n1 ZINC000062214605 167120800 /nfs/dbraw/zinc/12/08/00/167120800.db2.gz QBDPLEIUPAQESY-UHFFFAOYSA-N 0 1 244.429 3.283 10 0 BGAEMN CCCSCc1nc(CNC(C)C)cs1 ZINC000062214615 169340431 /nfs/dbraw/zinc/34/04/31/169340431.db2.gz FBWSZRKPNKAJHJ-UHFFFAOYSA-N 0 1 244.429 3.284 10 0 BGAEMN CCN[C@@H](c1cscn1)c1sccc1C ZINC000062356771 170149499 /nfs/dbraw/zinc/14/94/99/170149499.db2.gz ZXXRDHPWCUXBOQ-JTQLQIEISA-N 0 1 238.381 3.212 10 0 BGAEMN CCN[C@H](c1cscn1)c1sccc1C ZINC000062356775 170165133 /nfs/dbraw/zinc/16/51/33/170165133.db2.gz ZXXRDHPWCUXBOQ-SNVBAGLBSA-N 0 1 238.381 3.212 10 0 BGAEMN Cc1ccc(-c2cc(NCC(C)C)[nH]n2)o1 ZINC000062669441 178321542 /nfs/dbraw/zinc/32/15/42/178321542.db2.gz OUIVXQFYAFFHRQ-UHFFFAOYSA-N 0 1 219.288 3.046 10 0 BGAEMN CCC[N@@H+]([C@@H](CC(=O)[O-])c1ccccc1)C1CC1 ZINC000062751527 169090573 /nfs/dbraw/zinc/09/05/73/169090573.db2.gz PFXXHSRUOVKMCU-AWEZNQCLSA-N 0 1 247.338 3.077 10 0 BGAEMN CCC[N@@H+]([C@H](CC(=O)[O-])c1ccccc1)C1CC1 ZINC000062751528 169091790 /nfs/dbraw/zinc/09/17/90/169091790.db2.gz PFXXHSRUOVKMCU-CQSZACIVSA-N 0 1 247.338 3.077 10 0 BGAEMN CC(C)[C@@H](C)[N@@H+](C)[C@@H](CC(=O)[O-])c1ccccc1 ZINC000062752196 167369614 /nfs/dbraw/zinc/36/96/14/167369614.db2.gz ZVTKYIICLWFJQH-OCCSQVGLSA-N 0 1 249.354 3.179 10 0 BGAEMN CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062752506 169366421 /nfs/dbraw/zinc/36/64/21/169366421.db2.gz QVGSDNHCVABZKV-FRRDWIJNSA-N 0 1 241.375 3.140 10 0 BGAEMN COc1ccc(C)cc1NC(=N)c1ccccc1 ZINC000062988932 187273999 /nfs/dbraw/zinc/27/39/99/187273999.db2.gz JWMJFUSSTNCKTR-UHFFFAOYSA-N 0 1 240.306 3.441 10 0 BGAEMN CCN(CC)c1ccc(NC[C@H]2CCCO2)cc1 ZINC000062996204 169804090 /nfs/dbraw/zinc/80/40/90/169804090.db2.gz VXVYDTOCGXXICO-OAHLLOKOSA-N 0 1 248.370 3.124 10 0 BGAEMN CC(C)[C@@H](C)NC1=N[C@H](c2ccccc2)CS1 ZINC000063001057 167380310 /nfs/dbraw/zinc/38/03/10/167380310.db2.gz PBXXFOLWPPBQQN-YPMHNXCESA-N 0 1 248.395 3.465 10 0 BGAEMN CC(C)[C@@H](C)NC1=N[C@@H](c2ccccc2)CS1 ZINC000063001059 167379946 /nfs/dbraw/zinc/37/99/46/167379946.db2.gz PBXXFOLWPPBQQN-DGCLKSJQSA-N 0 1 248.395 3.465 10 0 BGAEMN CC1(C)C[C@H]1NC1=N[C@H](c2ccccc2)CS1 ZINC000063002856 188303983 /nfs/dbraw/zinc/30/39/83/188303983.db2.gz IKUILQHKXGUBKC-NWDGAFQWSA-N 0 1 246.379 3.219 10 0 BGAEMN Cc1nc2cc(NCc3ccoc3)ccc2[nH]1 ZINC000063047323 180096397 /nfs/dbraw/zinc/09/63/97/180096397.db2.gz IREQFRDRXMNVHU-UHFFFAOYSA-N 0 1 227.267 3.076 10 0 BGAEMN Cc1ccc(C(=O)CN2CCCC2(C)C)cc1 ZINC000063071704 178373545 /nfs/dbraw/zinc/37/35/45/178373545.db2.gz OLRIBBVNBQJEGH-UHFFFAOYSA-N 0 1 231.339 3.052 10 0 BGAEMN Cc1cccc(C(=O)CN2CCCC2(C)C)c1 ZINC000063071712 179004078 /nfs/dbraw/zinc/00/40/78/179004078.db2.gz SNBHFBOQVOZATK-UHFFFAOYSA-N 0 1 231.339 3.052 10 0 BGAEMN N[C@@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000063075931 181566304 /nfs/dbraw/zinc/56/63/04/181566304.db2.gz FASFFZNSDWWLCE-INIZCTEOSA-N 0 1 234.302 3.283 10 0 BGAEMN N[C@H](c1cccs1)c1ccc2ccccc2n1 ZINC000063075969 351072533 /nfs/dbraw/zinc/07/25/33/351072533.db2.gz JCYRILVGEYRCEA-AWEZNQCLSA-N 0 1 240.331 3.344 10 0 BGAEMN N[C@@H](c1cccs1)c1ccc2ccccc2n1 ZINC000063075970 351072560 /nfs/dbraw/zinc/07/25/60/351072560.db2.gz JCYRILVGEYRCEA-CQSZACIVSA-N 0 1 240.331 3.344 10 0 BGAEMN C[C@H](c1nc(C2CC2)no1)N1CCC[C@H](C)CC1 ZINC000063309328 342875254 /nfs/dbraw/zinc/87/52/54/342875254.db2.gz VUTQQHKVCLKMND-WDEREUQCSA-N 0 1 249.358 3.130 10 0 BGAEMN Nc1ccccc1-c1cc(-c2ccccc2)n[nH]1 ZINC000066139582 385839380 /nfs/dbraw/zinc/83/93/80/385839380.db2.gz FVKUPYYECMDEOO-UHFFFAOYSA-N 0 1 235.290 3.326 10 0 BGAEMN Nc1cccc(-c2cc(-c3ccccc3)n[nH]2)c1 ZINC000066140225 349869911 /nfs/dbraw/zinc/86/99/11/349869911.db2.gz FMJJMPKOTJICTB-UHFFFAOYSA-N 0 1 235.290 3.326 10 0 BGAEMN CCN1CCCC[C@@H]1c1ccc(Cl)nc1 ZINC000068590767 343919576 /nfs/dbraw/zinc/91/95/76/343919576.db2.gz NUNGUNMCCLKYSF-LLVKDONJSA-N 0 1 224.735 3.282 10 0 BGAEMN CCN1CCCC[C@H]1c1ccc(Cl)nc1 ZINC000068590771 343919503 /nfs/dbraw/zinc/91/95/03/343919503.db2.gz NUNGUNMCCLKYSF-NSHDSACASA-N 0 1 224.735 3.282 10 0 BGAEMN C[C@H]1C(=O)[C@@H](C)[C@@H](C)N(Cc2ccccc2)[C@H]1C ZINC000068592657 176047509 /nfs/dbraw/zinc/04/75/09/176047509.db2.gz LPKQYIKVPAIMPD-LVEBTZEWSA-N 0 1 245.366 3.121 10 0 BGAEMN C[C@@H]1[C@H](C)C(=O)[C@@H](C)[C@H](C)N1Cc1ccccc1 ZINC000068592660 176047185 /nfs/dbraw/zinc/04/71/85/176047185.db2.gz LPKQYIKVPAIMPD-XDQVBPFNSA-N 0 1 245.366 3.121 10 0 BGAEMN C[C@H]1C(=O)[C@@H](C)[C@@H](C)N(Cc2ccccc2)[C@@H]1C ZINC000068592662 176047286 /nfs/dbraw/zinc/04/72/86/176047286.db2.gz LPKQYIKVPAIMPD-XJFOESAGSA-N 0 1 245.366 3.121 10 0 BGAEMN C[C@@H]1[C@H](C)C(=O)[C@@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000068592666 176047114 /nfs/dbraw/zinc/04/71/14/176047114.db2.gz LPKQYIKVPAIMPD-IGQOVBAYSA-N 0 1 245.366 3.121 10 0 BGAEMN CC(C)(C)OC(=O)c1ccc(O)c(Cl)c1 ZINC000068812913 373066647 /nfs/dbraw/zinc/06/66/47/373066647.db2.gz WYEFGGSDSSINRP-UHFFFAOYSA-N 0 1 228.675 3.001 10 0 BGAEMN C[C@@H](c1nc(C2CC2)no1)N1CCC[C@@H](C)CC1 ZINC000068838160 388809717 /nfs/dbraw/zinc/80/97/17/388809717.db2.gz VUTQQHKVCLKMND-MNOVXSKESA-N 0 1 249.358 3.130 10 0 BGAEMN C[C@@H](c1nc(C2CC2)no1)N1CCC[C@H](C)CC1 ZINC000068838163 388809931 /nfs/dbraw/zinc/80/99/31/388809931.db2.gz VUTQQHKVCLKMND-QWRGUYRKSA-N 0 1 249.358 3.130 10 0 BGAEMN CC(C)(C)[C@H](N)c1occc1Br ZINC000068982365 351320117 /nfs/dbraw/zinc/32/01/17/351320117.db2.gz MPHFLDKVJBRVLA-MRVPVSSYSA-N 0 1 232.121 3.088 10 0 BGAEMN CC(C)(C)[C@@H](N)c1occc1Br ZINC000068982368 351320081 /nfs/dbraw/zinc/32/00/81/351320081.db2.gz MPHFLDKVJBRVLA-QMMMGPOBSA-N 0 1 232.121 3.088 10 0 BGAEMN CN[C@H](c1occc1Br)C(C)(C)C ZINC000068982617 351319997 /nfs/dbraw/zinc/31/99/97/351319997.db2.gz HTVWTBLORZQPDL-SECBINFHSA-N 0 1 246.148 3.349 10 0 BGAEMN CN[C@@H](c1occc1Br)C(C)(C)C ZINC000068982619 351319702 /nfs/dbraw/zinc/31/97/02/351319702.db2.gz HTVWTBLORZQPDL-VIFPVBQESA-N 0 1 246.148 3.349 10 0 BGAEMN CC(C)(C)C[C@H](N)c1occc1Br ZINC000068983134 373102221 /nfs/dbraw/zinc/10/22/21/373102221.db2.gz REJBBJPNPHTCMC-QMMMGPOBSA-N 0 1 246.148 3.478 10 0 BGAEMN CC(C)(C)C[C@@H](N)c1occc1Br ZINC000068983136 373101891 /nfs/dbraw/zinc/10/18/91/373101891.db2.gz REJBBJPNPHTCMC-MRVPVSSYSA-N 0 1 246.148 3.478 10 0 BGAEMN Cc1ccsc1-c1csc([C@@H](C)N)n1 ZINC000069635956 359687581 /nfs/dbraw/zinc/68/75/81/359687581.db2.gz JCDMLOQBNLWMMI-SSDOTTSWSA-N 0 1 224.354 3.200 10 0 BGAEMN Cc1ccsc1-c1csc([C@H](C)N)n1 ZINC000069635957 359688223 /nfs/dbraw/zinc/68/82/23/359688223.db2.gz JCDMLOQBNLWMMI-ZETCQYMHSA-N 0 1 224.354 3.200 10 0 BGAEMN Brc1ccoc1[C@@H]1CCCCCN1 ZINC000069841855 373853025 /nfs/dbraw/zinc/85/30/25/373853025.db2.gz TXWYPWDYSMCQKX-VIFPVBQESA-N 0 1 244.132 3.247 10 0 BGAEMN Brc1ccoc1[C@H]1CCCCCN1 ZINC000069841857 373853700 /nfs/dbraw/zinc/85/37/00/373853700.db2.gz TXWYPWDYSMCQKX-SECBINFHSA-N 0 1 244.132 3.247 10 0 BGAEMN C[C@@H]1CCN[C@H](c2occc2Br)C1 ZINC000069940320 361162313 /nfs/dbraw/zinc/16/23/13/361162313.db2.gz MRUDWAMZDDNYGV-APPZFPTMSA-N 0 1 244.132 3.103 10 0 BGAEMN C[C@H]1CCN[C@H](c2occc2Br)C1 ZINC000069940321 361162770 /nfs/dbraw/zinc/16/27/70/361162770.db2.gz MRUDWAMZDDNYGV-CBAPKCEASA-N 0 1 244.132 3.103 10 0 BGAEMN C[C@@H]1CCN[C@@H](c2occc2Br)C1 ZINC000069940322 361162842 /nfs/dbraw/zinc/16/28/42/361162842.db2.gz MRUDWAMZDDNYGV-VXNVDRBHSA-N 0 1 244.132 3.103 10 0 BGAEMN C[C@H]1CCN[C@@H](c2occc2Br)C1 ZINC000069940323 361162501 /nfs/dbraw/zinc/16/25/01/361162501.db2.gz MRUDWAMZDDNYGV-IONNQARKSA-N 0 1 244.132 3.103 10 0 BGAEMN Cc1ccsc1CN[C@@H]1COc2ccccc21 ZINC000070070265 398125464 /nfs/dbraw/zinc/12/54/64/398125464.db2.gz FFVZOPGDDYKSQY-GFCCVEGCSA-N 0 1 245.347 3.280 10 0 BGAEMN Cc1ccsc1CN[C@H]1COc2ccccc21 ZINC000070070266 179550492 /nfs/dbraw/zinc/55/04/92/179550492.db2.gz FFVZOPGDDYKSQY-LBPRGKRZSA-N 0 1 245.347 3.280 10 0 BGAEMN Cc1ccc(CN[C@@H]2COc3ccccc32)s1 ZINC000070070267 398125598 /nfs/dbraw/zinc/12/55/98/398125598.db2.gz UBJRGCSPHVNTPE-CYBMUJFWSA-N 0 1 245.347 3.280 10 0 BGAEMN Cc1ccc(CN[C@H]2COc3ccccc32)s1 ZINC000070070268 384076798 /nfs/dbraw/zinc/07/67/98/384076798.db2.gz UBJRGCSPHVNTPE-ZDUSSCGKSA-N 0 1 245.347 3.280 10 0 BGAEMN Fc1ccc(CN[C@@H]2COc3ccccc32)cc1 ZINC000070070281 359040381 /nfs/dbraw/zinc/04/03/81/359040381.db2.gz IUTQRVAALJPCBG-CQSZACIVSA-N 0 1 243.281 3.049 10 0 BGAEMN Fc1ccc(CN[C@H]2COc3ccccc32)cc1 ZINC000070070282 359040351 /nfs/dbraw/zinc/04/03/51/359040351.db2.gz IUTQRVAALJPCBG-AWEZNQCLSA-N 0 1 243.281 3.049 10 0 BGAEMN Fc1cccc(CN[C@@H]2COc3ccccc32)c1 ZINC000070070309 359040199 /nfs/dbraw/zinc/04/01/99/359040199.db2.gz VJMUXRCGVFSLMQ-CQSZACIVSA-N 0 1 243.281 3.049 10 0 BGAEMN Fc1cccc(CN[C@H]2COc3ccccc32)c1 ZINC000070070310 359040312 /nfs/dbraw/zinc/04/03/12/359040312.db2.gz VJMUXRCGVFSLMQ-AWEZNQCLSA-N 0 1 243.281 3.049 10 0 BGAEMN Cc1ccccc1CN[C@@H]1COc2ccccc21 ZINC000070070317 179284854 /nfs/dbraw/zinc/28/48/54/179284854.db2.gz NBSHCFZESYVYLG-OAHLLOKOSA-N 0 1 239.318 3.218 10 0 BGAEMN Cc1ccccc1CN[C@H]1COc2ccccc21 ZINC000070070318 179284674 /nfs/dbraw/zinc/28/46/74/179284674.db2.gz NBSHCFZESYVYLG-HNNXBMFYSA-N 0 1 239.318 3.218 10 0 BGAEMN Cc1ccc(CN[C@@H]2COc3ccccc32)cc1 ZINC000070070319 384078557 /nfs/dbraw/zinc/07/85/57/384078557.db2.gz IJRSIEXTMSFERS-OAHLLOKOSA-N 0 1 239.318 3.218 10 0 BGAEMN Cc1ccc(CN[C@H]2COc3ccccc32)cc1 ZINC000070070320 384077865 /nfs/dbraw/zinc/07/78/65/384077865.db2.gz IJRSIEXTMSFERS-HNNXBMFYSA-N 0 1 239.318 3.218 10 0 BGAEMN Cc1cccc(CN[C@@H]2COc3ccccc32)c1 ZINC000070070323 179100625 /nfs/dbraw/zinc/10/06/25/179100625.db2.gz QDUDTBXPWHCLEG-OAHLLOKOSA-N 0 1 239.318 3.218 10 0 BGAEMN Cc1cccc(CN[C@H]2COc3ccccc32)c1 ZINC000070070324 191002861 /nfs/dbraw/zinc/00/28/61/191002861.db2.gz QDUDTBXPWHCLEG-HNNXBMFYSA-N 0 1 239.318 3.218 10 0 BGAEMN COc1cccc(CN[C@@H](C)c2cccs2)n1 ZINC000070093291 175267235 /nfs/dbraw/zinc/26/72/35/175267235.db2.gz GRTMGOCWCAEXEZ-JTQLQIEISA-N 0 1 248.351 3.003 10 0 BGAEMN COc1cccc(CN[C@H](C)c2cccs2)n1 ZINC000070093292 175268281 /nfs/dbraw/zinc/26/82/81/175268281.db2.gz GRTMGOCWCAEXEZ-SNVBAGLBSA-N 0 1 248.351 3.003 10 0 BGAEMN FC(F)c1nc2ccc(Cl)cc2[nH]1 ZINC000070234899 361494955 /nfs/dbraw/zinc/49/49/55/361494955.db2.gz RQDLGCYUQHYKLK-UHFFFAOYSA-N 0 1 202.591 3.154 10 0 BGAEMN Cc1cccc2nc(CC(C)(C)C)[nH]c21 ZINC000070234940 187274996 /nfs/dbraw/zinc/27/49/96/187274996.db2.gz TVWPRUAVLQVBMP-UHFFFAOYSA-N 0 1 202.301 3.460 10 0 BGAEMN Cc1ccccc1[C@H](C)N[C@@H](C)c1cnccn1 ZINC000070477541 179338665 /nfs/dbraw/zinc/33/86/65/179338665.db2.gz CYSHHCATQSGTBL-STQMWFEESA-N 0 1 241.338 3.197 10 0 BGAEMN Cc1ccccc1[C@H](C)N[C@H](C)c1cnccn1 ZINC000070477543 179338870 /nfs/dbraw/zinc/33/88/70/179338870.db2.gz CYSHHCATQSGTBL-QWHCGFSZSA-N 0 1 241.338 3.197 10 0 BGAEMN Fc1ccc(-c2csc(=S)[nH]2)c(F)c1 ZINC000070598217 384125518 /nfs/dbraw/zinc/12/55/18/384125518.db2.gz BYSXRKORZCKFCT-UHFFFAOYSA-N 0 1 229.276 3.377 10 0 BGAEMN Fc1cccc(F)c1C1=NC(=S)SC1 ZINC000070598225 361581836 /nfs/dbraw/zinc/58/18/36/361581836.db2.gz FWJQGCFEWMNSRU-UHFFFAOYSA-N 0 1 229.276 3.377 10 0 BGAEMN Cc1ccc(-c2csc(=S)[nH]2)s1 ZINC000070598228 361581160 /nfs/dbraw/zinc/58/11/60/361581160.db2.gz WQZPCYOPZQVTCA-UHFFFAOYSA-N 0 1 213.352 3.469 10 0 BGAEMN Fc1ccccc1-c1csc(=S)[nH]1 ZINC000070598239 361581179 /nfs/dbraw/zinc/58/11/79/361581179.db2.gz YTBVDNNTXHZXIF-UHFFFAOYSA-N 0 1 211.286 3.238 10 0 BGAEMN Cc1cc(-c2csc(=S)[nH]2)c(C)o1 ZINC000070598276 361581622 /nfs/dbraw/zinc/58/16/22/361581622.db2.gz IYWAJVASFCXWFY-UHFFFAOYSA-N 0 1 211.311 3.309 10 0 BGAEMN CC(C)[C@@H]1CCC2=NC(=S)SC2C1 ZINC000070598298 361581912 /nfs/dbraw/zinc/58/19/12/361581912.db2.gz XETXONFRVZWLAP-SSDOTTSWSA-N 0 1 213.371 3.193 10 0 BGAEMN CC(C)[C@H]1CCC2=NC(=S)SC2C1 ZINC000070598299 361582055 /nfs/dbraw/zinc/58/20/55/361582055.db2.gz XETXONFRVZWLAP-ZETCQYMHSA-N 0 1 213.371 3.193 10 0 BGAEMN Cc1nc(C)c(-c2csc(=S)[nH]2)s1 ZINC000070598300 361581649 /nfs/dbraw/zinc/58/16/49/361581649.db2.gz IDWLFJLWQDKQKX-UHFFFAOYSA-N 0 1 228.367 3.172 10 0 BGAEMN Cc1ccsc1-c1csc(=S)[nH]1 ZINC000070598315 343952974 /nfs/dbraw/zinc/95/29/74/343952974.db2.gz VHXWYHMMUVCEPA-UHFFFAOYSA-N 0 1 213.352 3.469 10 0 BGAEMN CCC[C@@H]1CCC2=NC(=S)SC2C1 ZINC000070598330 361581360 /nfs/dbraw/zinc/58/13/60/361581360.db2.gz UVBZAIQJJDWTKH-SSDOTTSWSA-N 0 1 213.371 3.337 10 0 BGAEMN CCC[C@H]1CCC2=NC(=S)SC2C1 ZINC000070598331 361581981 /nfs/dbraw/zinc/58/19/81/361581981.db2.gz UVBZAIQJJDWTKH-ZETCQYMHSA-N 0 1 213.371 3.337 10 0 BGAEMN Cc1sc(=S)[nH]c1-c1cccs1 ZINC000070598332 388042348 /nfs/dbraw/zinc/04/23/48/388042348.db2.gz BUSSYAFUGBWDEF-UHFFFAOYSA-N 0 1 213.352 3.469 10 0 BGAEMN Cc1nc(C2=NC(=S)SC2)c(C)s1 ZINC000070598333 361581754 /nfs/dbraw/zinc/58/17/54/361581754.db2.gz KAUHKPPGEHEGHW-UHFFFAOYSA-N 0 1 228.367 3.172 10 0 BGAEMN CC1=NN(Cc2ccc(Cl)cc2)C(=S)C1 ZINC000070824195 178218383 /nfs/dbraw/zinc/21/83/83/178218383.db2.gz OYAAVJZCOSLTRF-UHFFFAOYSA-N 0 1 238.743 3.182 10 0 BGAEMN CN[C@@H](C)c1csc(-c2cccs2)n1 ZINC000070840748 398139871 /nfs/dbraw/zinc/13/98/71/398139871.db2.gz QFGBMDRNQMKDDK-ZETCQYMHSA-N 0 1 224.354 3.152 10 0 BGAEMN CN[C@H](C)c1csc(-c2cccs2)n1 ZINC000070840751 398139912 /nfs/dbraw/zinc/13/99/12/398139912.db2.gz QFGBMDRNQMKDDK-SSDOTTSWSA-N 0 1 224.354 3.152 10 0 BGAEMN CN[C@H](C)c1csc(Cc2cccs2)n1 ZINC000070840936 173449677 /nfs/dbraw/zinc/44/96/77/173449677.db2.gz QQNFESJSZWKKAM-MRVPVSSYSA-N 0 1 238.381 3.076 10 0 BGAEMN CCN[C@@H](C)c1csc(CC(C)C)n1 ZINC000070841394 170143084 /nfs/dbraw/zinc/14/30/84/170143084.db2.gz MHXQXCOOJSTHTN-VIFPVBQESA-N 0 1 212.362 3.012 10 0 BGAEMN CCN[C@H](C)c1csc(CC(C)C)n1 ZINC000070841402 170159889 /nfs/dbraw/zinc/15/98/89/170159889.db2.gz MHXQXCOOJSTHTN-SECBINFHSA-N 0 1 212.362 3.012 10 0 BGAEMN CC[C@]1(C)CSC(NCc2ccccc2)=N1 ZINC000070890162 374224716 /nfs/dbraw/zinc/22/47/16/374224716.db2.gz ZFUUIRYAPMXEKF-CYBMUJFWSA-N 0 1 234.368 3.048 10 0 BGAEMN CC[C@@]1(C)CSC(NCc2ccccc2)=N1 ZINC000070890168 374224590 /nfs/dbraw/zinc/22/45/90/374224590.db2.gz ZFUUIRYAPMXEKF-ZDUSSCGKSA-N 0 1 234.368 3.048 10 0 BGAEMN Cc1cccnc1CN[C@@H](C)c1cccs1 ZINC000070908005 359064896 /nfs/dbraw/zinc/06/48/96/359064896.db2.gz FIFGBSPUGNTGPS-NSHDSACASA-N 0 1 232.352 3.302 10 0 BGAEMN Cc1cccnc1CN[C@H](C)c1cccs1 ZINC000070908010 359064861 /nfs/dbraw/zinc/06/48/61/359064861.db2.gz FIFGBSPUGNTGPS-LLVKDONJSA-N 0 1 232.352 3.302 10 0 BGAEMN Oc1ccc(-c2nnc(Cl)s2)cc1Cl ZINC000071050429 343959245 /nfs/dbraw/zinc/95/92/45/343959245.db2.gz DOPICSMVZRUWMG-UHFFFAOYSA-N 0 1 247.106 3.218 10 0 BGAEMN c1ccc(CCCc2nc3cnccc3[nH]2)cc1 ZINC000071166761 183391657 /nfs/dbraw/zinc/39/16/57/183391657.db2.gz JGKRYJQEYGRBIC-UHFFFAOYSA-N 0 1 237.306 3.133 10 0 BGAEMN c1ccc(CCCc2nc3ccncc3[nH]2)cc1 ZINC000071166761 183391656 /nfs/dbraw/zinc/39/16/56/183391656.db2.gz JGKRYJQEYGRBIC-UHFFFAOYSA-N 0 1 237.306 3.133 10 0 BGAEMN c1cc2[nH]c(CCC3CCCCC3)nc2cn1 ZINC000071166783 183376948 /nfs/dbraw/zinc/37/69/48/183376948.db2.gz CKGHWNQKZWRFPC-UHFFFAOYSA-N 0 1 229.327 3.471 10 0 BGAEMN c1cc2nc(CCC3CCCCC3)[nH]c2cn1 ZINC000071166783 183376946 /nfs/dbraw/zinc/37/69/46/183376946.db2.gz CKGHWNQKZWRFPC-UHFFFAOYSA-N 0 1 229.327 3.471 10 0 BGAEMN C[C@@H]1CCC[C@@H]1Nc1ccc(N)c2cnccc12 ZINC000071206886 176132930 /nfs/dbraw/zinc/13/29/30/176132930.db2.gz ZCVBMVDXIHGWAW-YGRLFVJLSA-N 0 1 241.338 3.418 10 0 BGAEMN C[C@H]1CCC[C@@H]1Nc1ccc(N)c2cnccc12 ZINC000071206887 177126601 /nfs/dbraw/zinc/12/66/01/177126601.db2.gz ZCVBMVDXIHGWAW-HZMBPMFUSA-N 0 1 241.338 3.418 10 0 BGAEMN C[C@@H]1CCC[C@H]1Nc1ccc(N)c2cnccc12 ZINC000071206888 176151305 /nfs/dbraw/zinc/15/13/05/176151305.db2.gz ZCVBMVDXIHGWAW-QMTHXVAHSA-N 0 1 241.338 3.418 10 0 BGAEMN C[C@H]1CCC[C@H]1Nc1ccc(N)c2cnccc12 ZINC000071206889 177142858 /nfs/dbraw/zinc/14/28/58/177142858.db2.gz ZCVBMVDXIHGWAW-IINYFYTJSA-N 0 1 241.338 3.418 10 0 BGAEMN C[C@@H]1CCC[C@@H]1n1c(N)nc2cc(F)ccc21 ZINC000071208697 176132414 /nfs/dbraw/zinc/13/24/14/176132414.db2.gz KQOXYTVQHBVESJ-KCJUWKMLSA-N 0 1 233.290 3.119 10 0 BGAEMN C[C@H]1CCC[C@@H]1n1c(N)nc2cc(F)ccc21 ZINC000071208698 177127302 /nfs/dbraw/zinc/12/73/02/177127302.db2.gz KQOXYTVQHBVESJ-KWQFWETISA-N 0 1 233.290 3.119 10 0 BGAEMN C[C@@H]1CCC[C@H]1n1c(N)nc2cc(F)ccc21 ZINC000071208699 176151097 /nfs/dbraw/zinc/15/10/97/176151097.db2.gz KQOXYTVQHBVESJ-LDYMZIIASA-N 0 1 233.290 3.119 10 0 BGAEMN C[C@H]1CCC[C@H]1n1c(N)nc2cc(F)ccc21 ZINC000071208700 177143571 /nfs/dbraw/zinc/14/35/71/177143571.db2.gz KQOXYTVQHBVESJ-GZMMTYOYSA-N 0 1 233.290 3.119 10 0 BGAEMN CCC[C@@H](N)c1nc(C)cc(-c2ccccc2)n1 ZINC000071396810 169393528 /nfs/dbraw/zinc/39/35/28/169393528.db2.gz VVDIBOWBYQZRDT-CYBMUJFWSA-N 0 1 241.338 3.252 10 0 BGAEMN CC(C)(C)[C@H](N)c1ncc(-c2ccccc2)cn1 ZINC000071396831 188130938 /nfs/dbraw/zinc/13/09/38/188130938.db2.gz MNZGNBIISKDURB-CYBMUJFWSA-N 0 1 241.338 3.190 10 0 BGAEMN CCC[C@@H](N)c1nc(C)cc(C2CCCC2)n1 ZINC000071397840 169393881 /nfs/dbraw/zinc/39/38/81/169393881.db2.gz AFDHVEDEJAJESP-GFCCVEGCSA-N 0 1 233.359 3.243 10 0 BGAEMN c1cc(C2CCCCC2)nc([C@@H]2CCCCN2)n1 ZINC000071397876 183334762 /nfs/dbraw/zinc/33/47/62/183334762.db2.gz ZGBLVBWAMSRFCQ-AWEZNQCLSA-N 0 1 245.370 3.339 10 0 BGAEMN c1cc(C2CCCCC2)nc([C@H]2CCCCN2)n1 ZINC000071397877 183337207 /nfs/dbraw/zinc/33/72/07/183337207.db2.gz ZGBLVBWAMSRFCQ-CQSZACIVSA-N 0 1 245.370 3.339 10 0 BGAEMN CCC[C@H](N)c1nc(C2CC2)cc(C2CC2)n1 ZINC000071398056 169505056 /nfs/dbraw/zinc/50/50/56/169505056.db2.gz GACLBIKTULAPIA-NSHDSACASA-N 0 1 231.343 3.031 10 0 BGAEMN CN1CCC[C@@H]1c1ccccc1Br ZINC000071494106 173037456 /nfs/dbraw/zinc/03/74/56/173037456.db2.gz IMOQCUQYWIGYBR-LLVKDONJSA-N 0 1 240.144 3.216 10 0 BGAEMN CN1CCC[C@H]1c1ccccc1Br ZINC000071494107 173059418 /nfs/dbraw/zinc/05/94/18/173059418.db2.gz IMOQCUQYWIGYBR-NSHDSACASA-N 0 1 240.144 3.216 10 0 BGAEMN NC1(C(=O)c2ccccc2Cl)CCCCC1 ZINC000071548580 181331384 /nfs/dbraw/zinc/33/13/84/181331384.db2.gz REPDMPAXQLXJGB-UHFFFAOYSA-N 0 1 237.730 3.184 10 0 BGAEMN NC1(C(=O)c2cccc(Cl)c2)CCCCC1 ZINC000071548581 181331168 /nfs/dbraw/zinc/33/11/68/181331168.db2.gz XDAAGIBEFBPXST-UHFFFAOYSA-N 0 1 237.730 3.184 10 0 BGAEMN O=c1cc(-c2ccccc2C(F)(F)F)[nH]o1 ZINC000071976583 183256828 /nfs/dbraw/zinc/25/68/28/183256828.db2.gz DVEHOFXIBCKHCF-UHFFFAOYSA-N 0 1 229.157 3.066 10 0 BGAEMN Clc1cccc(Nc2n[nH]c3cccnc32)c1 ZINC000072188062 384198298 /nfs/dbraw/zinc/19/82/98/384198298.db2.gz AZKRKWMJSCDPGH-UHFFFAOYSA-N 0 1 244.685 3.355 10 0 BGAEMN FC(F)(F)c1n[nH]c(-c2cccc(Cl)c2)n1 ZINC000072236793 343089143 /nfs/dbraw/zinc/08/91/43/343089143.db2.gz WYDKWTUVFWPCAD-UHFFFAOYSA-N 0 1 247.607 3.144 10 0 BGAEMN Cc1ccc2nc(C(F)(F)C(F)F)[nH]c2c1 ZINC000072265834 384203358 /nfs/dbraw/zinc/20/33/58/384203358.db2.gz OKLUCYPTQRSTNB-UHFFFAOYSA-N 0 1 232.180 3.228 10 0 BGAEMN Cc1ccc2nc(CCC(F)(F)F)[nH]c2c1 ZINC000072265836 384204173 /nfs/dbraw/zinc/20/41/73/384204173.db2.gz PIKSPELCLNHEPQ-UHFFFAOYSA-N 0 1 228.217 3.366 10 0 BGAEMN Cc1ccc2nc(C(F)(F)Cl)[nH]c2c1 ZINC000072265852 384203906 /nfs/dbraw/zinc/20/39/06/384203906.db2.gz KFNRSASBDKGYEA-UHFFFAOYSA-N 0 1 216.618 3.159 10 0 BGAEMN O[C@H]1CCCc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000072415174 183237800 /nfs/dbraw/zinc/23/78/00/183237800.db2.gz GEHMZQTYYPIUBP-NSHDSACASA-N 0 1 248.713 3.100 10 0 BGAEMN O[C@@H]1CCCc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000072415175 183198251 /nfs/dbraw/zinc/19/82/51/183198251.db2.gz GEHMZQTYYPIUBP-LLVKDONJSA-N 0 1 248.713 3.100 10 0 BGAEMN CC1(C)Cc2n[nH]c(-c3ccccc3)c2[C@H](O)C1 ZINC000072415178 187276988 /nfs/dbraw/zinc/27/69/88/187276988.db2.gz QAFGMYATHXKYDK-GFCCVEGCSA-N 0 1 242.322 3.083 10 0 BGAEMN CC1(C)Cc2n[nH]c(-c3ccccc3)c2[C@@H](O)C1 ZINC000072415179 187276406 /nfs/dbraw/zinc/27/64/06/187276406.db2.gz QAFGMYATHXKYDK-LBPRGKRZSA-N 0 1 242.322 3.083 10 0 BGAEMN Cn1ccc2c1nccc2-c1ccc2nc[nH]c2c1 ZINC000072476038 643254840 /nfs/dbraw/zinc/25/48/40/643254840.db2.gz HKRGUWHCECCRST-UHFFFAOYSA-N 0 1 248.289 3.117 10 0 BGAEMN CCc1ccc2oc(C3=CC[N@@H+](C)CC3)nc2c1 ZINC000073635987 384024307 /nfs/dbraw/zinc/02/43/07/384024307.db2.gz BNCFMBWYIZUACD-UHFFFAOYSA-N 0 1 242.322 3.109 10 0 BGAEMN Cc1cc2nc(C3=CC[N@@H+](C)CC3)oc2c(C)c1 ZINC000073636001 384023424 /nfs/dbraw/zinc/02/34/24/384023424.db2.gz WHKVFWUBCQMOMT-UHFFFAOYSA-N 0 1 242.322 3.164 10 0 BGAEMN C[N@@H+]1CC=C(c2nc3cc(Cl)ccc3o2)CC1 ZINC000073636016 384025339 /nfs/dbraw/zinc/02/53/39/384025339.db2.gz RZDWYLYWOTVDPD-UHFFFAOYSA-N 0 1 248.713 3.200 10 0 BGAEMN CN1CC=C(c2nc3ccccc3s2)CC1 ZINC000073636023 386437273 /nfs/dbraw/zinc/43/72/73/386437273.db2.gz XJDQQDYTOJCFDU-UHFFFAOYSA-N 0 1 230.336 3.015 10 0 BGAEMN Nc1c(S)cccc1-c1ccccc1 ZINC000073638432 384027731 /nfs/dbraw/zinc/02/77/31/384027731.db2.gz LATPRGOTJGNZTM-UHFFFAOYSA-N 0 1 201.294 3.225 10 0 BGAEMN Cc1ccc2nc(C3=CCN(C)CC3)sc2c1 ZINC000073638455 384029073 /nfs/dbraw/zinc/02/90/73/384029073.db2.gz XPBLIFSJZZYULK-UHFFFAOYSA-N 0 1 244.363 3.324 10 0 BGAEMN Cc1cccc2sc(C3=CCN(C)CC3)nc21 ZINC000073638866 179234176 /nfs/dbraw/zinc/23/41/76/179234176.db2.gz ZUYAPTSGDBRAKT-UHFFFAOYSA-N 0 1 244.363 3.324 10 0 BGAEMN CN1CC=C(c2nc3ccc(F)cc3s2)CC1 ZINC000073638888 384028151 /nfs/dbraw/zinc/02/81/51/384028151.db2.gz RRJLTCBWXFWWMB-UHFFFAOYSA-N 0 1 248.326 3.154 10 0 BGAEMN Cc1cc2nc([C@H](C(C)C)N(C)C)[nH]c2cc1C ZINC000074324291 178303861 /nfs/dbraw/zinc/30/38/61/178303861.db2.gz SYLFFOMMCLXYKZ-AWEZNQCLSA-N 0 1 245.370 3.438 10 0 BGAEMN O=C(c1ccc2ccccc2c1)[C@H]1CCCCN1 ZINC000074367421 182667287 /nfs/dbraw/zinc/66/72/87/182667287.db2.gz HYWLCZLAHJRBRQ-OAHLLOKOSA-N 0 1 239.318 3.165 10 0 BGAEMN Cc1cccn2c(N)c(C3CCCCC3)nc12 ZINC000074541915 179353545 /nfs/dbraw/zinc/35/35/45/179353545.db2.gz DFTCRUZCIGNJLK-UHFFFAOYSA-N 0 1 229.327 3.273 10 0 BGAEMN Cc1cccc2nc(C3CCCCC3)c(N)n21 ZINC000074542283 179230109 /nfs/dbraw/zinc/23/01/09/179230109.db2.gz FKLKMPJECZDOJH-UHFFFAOYSA-N 0 1 229.327 3.273 10 0 BGAEMN Fc1ccc2c(c1)nccc2NCC(F)F ZINC000075060229 344763698 /nfs/dbraw/zinc/76/36/98/344763698.db2.gz UUKIKZUQCYUJFY-UHFFFAOYSA-N 0 1 226.201 3.051 10 0 BGAEMN Oc1ccc(Cl)cc1-c1csc(=S)[nH]1 ZINC000075420678 183271413 /nfs/dbraw/zinc/27/14/13/183271413.db2.gz ZZQBSSMUOVNROP-UHFFFAOYSA-N 0 1 243.740 3.458 10 0 BGAEMN Fc1cc(F)c(F)c([C@H]2CCCCN2)c1F ZINC000075869054 180952159 /nfs/dbraw/zinc/95/21/59/180952159.db2.gz JJCHTOLMAUJFPJ-MRVPVSSYSA-N 0 1 233.208 3.058 10 0 BGAEMN COc1cccc(F)c1[C@H](N)c1ccc(F)cc1 ZINC000075871728 175275413 /nfs/dbraw/zinc/27/54/13/175275413.db2.gz SSAYVQWYHZBCFP-CQSZACIVSA-N 0 1 249.260 3.022 10 0 BGAEMN COc1cccc(F)c1[C@@H](N)c1ccc(F)cc1 ZINC000075871729 175274259 /nfs/dbraw/zinc/27/42/59/175274259.db2.gz SSAYVQWYHZBCFP-AWEZNQCLSA-N 0 1 249.260 3.022 10 0 BGAEMN Cc1cccc([C@H](N)c2ccccc2F)c1F ZINC000075872357 179200095 /nfs/dbraw/zinc/20/00/95/179200095.db2.gz OSWCCBBTXNXIRV-CQSZACIVSA-N 0 1 233.261 3.321 10 0 BGAEMN Cc1cccc([C@@H](N)c2ccccc2F)c1F ZINC000075872358 179186798 /nfs/dbraw/zinc/18/67/98/179186798.db2.gz OSWCCBBTXNXIRV-AWEZNQCLSA-N 0 1 233.261 3.321 10 0 BGAEMN COc1cccc([C@H](N)c2ccccc2F)c1F ZINC000075872361 175294692 /nfs/dbraw/zinc/29/46/92/175294692.db2.gz JYVOYQNIDKKKBQ-CQSZACIVSA-N 0 1 249.260 3.022 10 0 BGAEMN COc1cccc([C@@H](N)c2ccccc2F)c1F ZINC000075872362 175288804 /nfs/dbraw/zinc/28/88/04/175288804.db2.gz JYVOYQNIDKKKBQ-AWEZNQCLSA-N 0 1 249.260 3.022 10 0 BGAEMN COc1cccc(F)c1[C@H](N)c1ccccc1F ZINC000075872363 175275275 /nfs/dbraw/zinc/27/52/75/175275275.db2.gz DCJSMPAERSSBFO-CQSZACIVSA-N 0 1 249.260 3.022 10 0 BGAEMN COc1cccc(F)c1[C@@H](N)c1ccccc1F ZINC000075872364 175274676 /nfs/dbraw/zinc/27/46/76/175274676.db2.gz DCJSMPAERSSBFO-AWEZNQCLSA-N 0 1 249.260 3.022 10 0 BGAEMN FC(F)(F)c1[nH]nc2ccc(Cl)cc21 ZINC000075884061 384345768 /nfs/dbraw/zinc/34/57/68/384345768.db2.gz XXYYOLNNHLXSFH-UHFFFAOYSA-N 0 1 220.581 3.235 10 0 BGAEMN COc1ccc2nc(-c3ccccc3F)[nH]c2c1 ZINC000076046167 175226566 /nfs/dbraw/zinc/22/65/66/175226566.db2.gz FIMPKRIEFVVHOX-UHFFFAOYSA-N 0 1 242.253 3.378 10 0 BGAEMN Oc1ccc2nc(-c3ccccc3F)[nH]c2c1 ZINC000076046168 183277827 /nfs/dbraw/zinc/27/78/27/183277827.db2.gz SNNXBMJVUCOYTC-UHFFFAOYSA-N 0 1 228.226 3.075 10 0 BGAEMN COc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000076046470 175226732 /nfs/dbraw/zinc/22/67/32/175226732.db2.gz BXXMOPZRTKSYGA-UHFFFAOYSA-N 0 1 242.253 3.378 10 0 BGAEMN Oc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000076046472 183278663 /nfs/dbraw/zinc/27/86/63/183278663.db2.gz ZBDMJXFQXIICGI-UHFFFAOYSA-N 0 1 228.226 3.075 10 0 BGAEMN COc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000076046765 175226471 /nfs/dbraw/zinc/22/64/71/175226471.db2.gz UHJXDSBZSJYUCA-UHFFFAOYSA-N 0 1 242.253 3.378 10 0 BGAEMN Oc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000076046767 183284356 /nfs/dbraw/zinc/28/43/56/183284356.db2.gz FXWCSLQOVNIRAX-UHFFFAOYSA-N 0 1 228.226 3.075 10 0 BGAEMN CC[C@@H]1CCc2nc(C(C)(C)C)[nH]c2C1 ZINC000076091335 171060811 /nfs/dbraw/zinc/06/08/11/171060811.db2.gz NJHBOZBDEUVUHZ-SECBINFHSA-N 0 1 206.333 3.222 10 0 BGAEMN CCN[C@@H](C)c1csc(Cc2ccccc2)n1 ZINC000076784511 170143398 /nfs/dbraw/zinc/14/33/98/170143398.db2.gz BQTPUUNJIDFBCC-NSHDSACASA-N 0 1 246.379 3.404 10 0 BGAEMN CCN[C@H](C)c1csc(Cc2ccccc2)n1 ZINC000076784513 170159868 /nfs/dbraw/zinc/15/98/68/170159868.db2.gz BQTPUUNJIDFBCC-LLVKDONJSA-N 0 1 246.379 3.404 10 0 BGAEMN CCNCc1csc(N(C)c2ccccc2)n1 ZINC000076786396 170130066 /nfs/dbraw/zinc/13/00/66/170130066.db2.gz UUWFDBSRGJVDRK-UHFFFAOYSA-N 0 1 247.367 3.021 10 0 BGAEMN CC(C)(C)c1c2ccccc2oc1CN ZINC000077068216 188290265 /nfs/dbraw/zinc/29/02/65/188290265.db2.gz UGJWQQNJCJQIOR-UHFFFAOYSA-N 0 1 203.285 3.189 10 0 BGAEMN Cc1cccc2c1oc(CN)c2C(C)C ZINC000077068669 179209833 /nfs/dbraw/zinc/20/98/33/179209833.db2.gz VUZVYGYZZHHCRO-UHFFFAOYSA-N 0 1 203.285 3.323 10 0 BGAEMN Cc1cccc2c1oc(CN)c2C(C)(C)C ZINC000077068726 179209667 /nfs/dbraw/zinc/20/96/67/179209667.db2.gz QIZOOOKZZIOJHZ-UHFFFAOYSA-N 0 1 217.312 3.497 10 0 BGAEMN Cc1cccc2c1oc(CN)c2C1CC1 ZINC000077068828 179209347 /nfs/dbraw/zinc/20/93/47/179209347.db2.gz TZKDCLZJIKNWTQ-UHFFFAOYSA-N 0 1 201.269 3.077 10 0 BGAEMN CCc1c2cccc(Cl)c2oc1CN ZINC000077069101 171743386 /nfs/dbraw/zinc/74/33/86/171743386.db2.gz PKPXHYNDAVWEMF-UHFFFAOYSA-N 0 1 209.676 3.107 10 0 BGAEMN CC1=NC(=S)SC1Cc1ccccc1 ZINC000077098279 180028543 /nfs/dbraw/zinc/02/85/43/180028543.db2.gz UDFKVDMLNXXGDY-UHFFFAOYSA-N 0 1 221.350 3.331 10 0 BGAEMN CNCc1ncc(-c2ccc(C(C)C)cc2)o1 ZINC000077359759 173397054 /nfs/dbraw/zinc/39/70/54/173397054.db2.gz SYYWAVSQYYFARI-UHFFFAOYSA-N 0 1 230.311 3.184 10 0 BGAEMN Cc1cc(N(C)C2CCCCCC2)ncc1N ZINC000077367590 178097151 /nfs/dbraw/zinc/09/71/51/178097151.db2.gz AMKBPKVRCWPTHW-UHFFFAOYSA-N 0 1 233.359 3.131 10 0 BGAEMN CNCc1ncc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000077396587 173398035 /nfs/dbraw/zinc/39/80/35/173398035.db2.gz XRZQWMGTVMHRFD-UHFFFAOYSA-N 0 1 244.338 3.359 10 0 BGAEMN CC(C)[C@H](N)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000077400640 188222252 /nfs/dbraw/zinc/22/22/52/188222252.db2.gz ASTMVYAXVWLRNT-JTQLQIEISA-N 0 1 246.137 3.159 10 0 BGAEMN CC(C)[C@H](N)C(=O)c1ccc(Cl)cc1Cl ZINC000077400647 188048993 /nfs/dbraw/zinc/04/89/93/188048993.db2.gz PRRCYGRROHGAGO-JTQLQIEISA-N 0 1 246.137 3.159 10 0 BGAEMN Cc1cc2nc(-c3ccc(F)cc3)[nH]c2cc1N ZINC000078400714 178299753 /nfs/dbraw/zinc/29/97/53/178299753.db2.gz MIFFRUWDDAHSNY-UHFFFAOYSA-N 0 1 241.269 3.260 10 0 BGAEMN CCc1[nH]nc2cc(C(F)(F)F)ccc21 ZINC000080778077 344133682 /nfs/dbraw/zinc/13/36/82/344133682.db2.gz PLDXUUNKQFWHIU-UHFFFAOYSA-N 0 1 214.190 3.144 10 0 BGAEMN Cc1cccc(-c2ncc(C(F)(F)F)[nH]2)c1 ZINC000082035450 368337323 /nfs/dbraw/zinc/33/73/23/368337323.db2.gz DMPMTAYRVMORDC-UHFFFAOYSA-N 0 1 226.201 3.404 10 0 BGAEMN CCCCCOc1ccc2nc[nH]c2c1 ZINC000082229836 384649802 /nfs/dbraw/zinc/64/98/02/384649802.db2.gz YGFDLBWZZDEXFJ-UHFFFAOYSA-N 0 1 204.273 3.132 10 0 BGAEMN Nc1cnc2cccc(Sc3ccccc3)n12 ZINC000082306719 384663589 /nfs/dbraw/zinc/66/35/89/384663589.db2.gz UEYSNZLGSZQZDY-UHFFFAOYSA-N 0 1 241.319 3.068 10 0 BGAEMN Nc1ccc(Sc2ccc3nc[nH]c3c2)cc1 ZINC000082306722 384663305 /nfs/dbraw/zinc/66/33/05/384663305.db2.gz AIZFNXMYISCLHD-UHFFFAOYSA-N 0 1 241.319 3.296 10 0 BGAEMN Nc1ccccc1CNCc1ccccc1Cl ZINC000082310671 181754535 /nfs/dbraw/zinc/75/45/35/181754535.db2.gz ISQBDRJDLZPMCL-UHFFFAOYSA-N 0 1 246.741 3.212 10 0 BGAEMN CC(C)NCC(=O)c1cc(Cl)ccc1Cl ZINC000082552643 167097345 /nfs/dbraw/zinc/09/73/45/167097345.db2.gz HJZZZGYZEYHYQB-UHFFFAOYSA-N 0 1 246.137 3.174 10 0 BGAEMN CC(C)NCC(=O)c1cccc(Cl)c1Cl ZINC000082552645 167098135 /nfs/dbraw/zinc/09/81/35/167098135.db2.gz QSKWQAYNMKWQDP-UHFFFAOYSA-N 0 1 246.137 3.174 10 0 BGAEMN CCCc1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000082644455 410079611 /nfs/dbraw/zinc/07/96/11/410079611.db2.gz UONQQPFYAHKHHN-UHFFFAOYSA-N 0 1 238.674 3.048 10 0 BGAEMN CCCc1noc(-c2cc(Cl)ccc2O)n1 ZINC000082644463 398277228 /nfs/dbraw/zinc/27/72/28/398277228.db2.gz ACMCBWXKKHJXKR-UHFFFAOYSA-N 0 1 238.674 3.048 10 0 BGAEMN CC[NH2+]c1cc(Cl)c([O-])c(Cl)c1 ZINC000082725679 170172415 /nfs/dbraw/zinc/17/24/15/170172415.db2.gz JCVKISVHDADDKS-UHFFFAOYSA-N 0 1 206.072 3.131 10 0 BGAEMN CCNc1cc(Cl)c(O)c(Cl)c1 ZINC000082725679 170172413 /nfs/dbraw/zinc/17/24/13/170172413.db2.gz JCVKISVHDADDKS-UHFFFAOYSA-N 0 1 206.072 3.131 10 0 BGAEMN CC(C)(C)Nc1[nH+]ccc2ccc(C(=O)[O-])cc21 ZINC000082766195 388587632 /nfs/dbraw/zinc/58/76/32/388587632.db2.gz NOXOVDSZFKJWSB-UHFFFAOYSA-N 0 1 244.294 3.143 10 0 BGAEMN NC1(c2nc3cc(F)ccc3o2)CCCCC1 ZINC000083103578 181335768 /nfs/dbraw/zinc/33/57/68/181335768.db2.gz WTNJMEDPUYMFGP-UHFFFAOYSA-N 0 1 234.274 3.085 10 0 BGAEMN NC1(c2nc3ccc(Cl)cc3s2)CCC1 ZINC000083132405 181334681 /nfs/dbraw/zinc/33/46/81/181334681.db2.gz RUTWHDKBUCDFFS-UHFFFAOYSA-N 0 1 238.743 3.288 10 0 BGAEMN NC1(c2nc3cc(Cl)ccc3s2)CCC1 ZINC000083132406 181335408 /nfs/dbraw/zinc/33/54/08/181335408.db2.gz MCLOIFRGHASQPK-UHFFFAOYSA-N 0 1 238.743 3.288 10 0 BGAEMN c1ccc(C[N@H+]2CCNc3ccccc3C2)cc1 ZINC000083145611 183399728 /nfs/dbraw/zinc/39/97/28/183399728.db2.gz CBXURDIDLIFMSR-UHFFFAOYSA-N 0 1 238.334 3.114 10 0 BGAEMN COc1ccc2nc(CC(C)(C)C)[nH]c2c1 ZINC000083187407 175227523 /nfs/dbraw/zinc/22/75/23/175227523.db2.gz CPDLWNVGVNVBLL-UHFFFAOYSA-N 0 1 218.300 3.160 10 0 BGAEMN Fc1ccccc1-c1cnc(CNC2CC2)s1 ZINC000083240620 181008918 /nfs/dbraw/zinc/00/89/18/181008918.db2.gz CJTCTARYVYDUGZ-UHFFFAOYSA-N 0 1 248.326 3.201 10 0 BGAEMN c1cc(-c2cnc(CNC3CC3)s2)cs1 ZINC000083240939 183329516 /nfs/dbraw/zinc/32/95/16/183329516.db2.gz YZDRKGNIWVDWOA-UHFFFAOYSA-N 0 1 236.365 3.124 10 0 BGAEMN CCC(C=C1NC(=O)NC1=O)=Cc1ccccc1 ZINC000083294371 644402468 /nfs/dbraw/zinc/40/24/68/644402468.db2.gz NYJFYKHOIJZIGP-AXDLQRQNSA-N 0 1 242.278 3.044 10 0 BGAEMN Cc1cccc(CNCc2ccccc2)c1F ZINC000083356861 179095904 /nfs/dbraw/zinc/09/59/04/179095904.db2.gz UCRZNRUQXLUWSI-UHFFFAOYSA-N 0 1 229.298 3.424 10 0 BGAEMN Cc1cc(C)cc(-c2csc([C@H](C)N)n2)c1 ZINC000083358992 177890010 /nfs/dbraw/zinc/89/00/10/177890010.db2.gz RSTFTLJEYQSAFP-JTQLQIEISA-N 0 1 232.352 3.447 10 0 BGAEMN Clc1ncccc1CNCc1ccccc1 ZINC000083359346 384766089 /nfs/dbraw/zinc/76/60/89/384766089.db2.gz FIOBOCMNBKKGHS-UHFFFAOYSA-N 0 1 232.714 3.025 10 0 BGAEMN Cc1cccc(CNCc2cccs2)c1F ZINC000083362399 179096749 /nfs/dbraw/zinc/09/67/49/179096749.db2.gz MQOMZOLBKPOWIH-UHFFFAOYSA-N 0 1 235.327 3.485 10 0 BGAEMN Cc1nc([C@@H](N)c2c(C)cccc2C)sc1C ZINC000083375664 179051453 /nfs/dbraw/zinc/05/14/53/179051453.db2.gz XSBGLKLJOZJWNS-ZDUSSCGKSA-N 0 1 246.379 3.425 10 0 BGAEMN Cc1nc([C@H](N)c2c(C)cccc2C)sc1C ZINC000083375665 179049628 /nfs/dbraw/zinc/04/96/28/179049628.db2.gz XSBGLKLJOZJWNS-CYBMUJFWSA-N 0 1 246.379 3.425 10 0 BGAEMN Cc1ccccc1CNCc1ccncc1Cl ZINC000083376157 179282919 /nfs/dbraw/zinc/28/29/19/179282919.db2.gz XDZBHSRVDTVKMO-UHFFFAOYSA-N 0 1 246.741 3.333 10 0 BGAEMN C/C=C/[C@@H]1NCCc2cccc(Cl)c21 ZINC000083661239 188180780 /nfs/dbraw/zinc/18/07/80/188180780.db2.gz YMOSZKWJULBHHC-FWEMWIAWSA-N 0 1 207.704 3.103 10 0 BGAEMN FC(F)c1nc2ccc(Br)cc2[nH]1 ZINC000084437513 384866117 /nfs/dbraw/zinc/86/61/17/384866117.db2.gz DNVWMFVLIONESY-UHFFFAOYSA-N 0 1 247.042 3.263 10 0 BGAEMN Cc1ccc(-c2cc(C)nc(N)c2)c(C)c1 ZINC000084477977 538533150 /nfs/dbraw/zinc/53/31/50/538533150.db2.gz FOXVYGGVCDLLQS-UHFFFAOYSA-N 0 1 212.296 3.256 10 0 BGAEMN Fc1ccccc1[C@H]1NCCc2ccsc21 ZINC000084517923 538534259 /nfs/dbraw/zinc/53/42/59/538534259.db2.gz LBYSYZXOAVGDKB-GFCCVEGCSA-N 0 1 233.311 3.122 10 0 BGAEMN Fc1ccccc1[C@@H]1NCCc2ccsc21 ZINC000084517924 538534521 /nfs/dbraw/zinc/53/45/21/538534521.db2.gz LBYSYZXOAVGDKB-LBPRGKRZSA-N 0 1 233.311 3.122 10 0 BGAEMN C[C@@H]1CN[C@H](c2ccc(Cl)cc2)S1 ZINC000085301190 187243724 /nfs/dbraw/zinc/24/37/24/187243724.db2.gz NHCGATXWTDDHSO-XCBNKYQSSA-N 0 1 213.733 3.064 10 0 BGAEMN C[C@H]1CN[C@H](c2ccc(Cl)cc2)S1 ZINC000085301193 188270656 /nfs/dbraw/zinc/27/06/56/188270656.db2.gz NHCGATXWTDDHSO-XVKPBYJWSA-N 0 1 213.733 3.064 10 0 BGAEMN C[C@@H]1CN[C@@H](c2ccc(Cl)cc2)S1 ZINC000085301195 176330916 /nfs/dbraw/zinc/33/09/16/176330916.db2.gz NHCGATXWTDDHSO-GMSGAONNSA-N 0 1 213.733 3.064 10 0 BGAEMN C[C@H]1CN[C@@H](c2ccc(Cl)cc2)S1 ZINC000085301199 188097992 /nfs/dbraw/zinc/09/79/92/188097992.db2.gz NHCGATXWTDDHSO-OIBJUYFYSA-N 0 1 213.733 3.064 10 0 BGAEMN Cc1ccc2oc([C@H](N)C(C)(C)C)cc2n1 ZINC000085975072 538549425 /nfs/dbraw/zinc/54/94/25/538549425.db2.gz SXMPNLORYGLZCX-LBPRGKRZSA-N 0 1 218.300 3.182 10 0 BGAEMN Cc1ccc2oc([C@@H](N)C(C)(C)C)cc2n1 ZINC000085975075 538549683 /nfs/dbraw/zinc/54/96/83/538549683.db2.gz SXMPNLORYGLZCX-GFCCVEGCSA-N 0 1 218.300 3.182 10 0 BGAEMN C[C@@H](c1ccccc1)[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000086775329 176020537 /nfs/dbraw/zinc/02/05/37/176020537.db2.gz VTZDDHOWWQHNTA-GXTWGEPZSA-N 0 1 247.338 3.077 10 0 BGAEMN C[C@H](c1ccccc1)[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000086775330 177038850 /nfs/dbraw/zinc/03/88/50/177038850.db2.gz VTZDDHOWWQHNTA-TZMCWYRMSA-N 0 1 247.338 3.077 10 0 BGAEMN CC(C)[C@H](NC1COC1)c1ccc(Cl)cc1 ZINC000087596836 535119692 /nfs/dbraw/zinc/11/96/92/535119692.db2.gz KWXKVIBTYSBISM-ZDUSSCGKSA-N 0 1 239.746 3.026 10 0 BGAEMN CC(C)[C@@H](NC1COC1)c1ccc(Cl)cc1 ZINC000087596837 135159871 /nfs/dbraw/zinc/15/98/71/135159871.db2.gz KWXKVIBTYSBISM-CYBMUJFWSA-N 0 1 239.746 3.026 10 0 BGAEMN Cc1ccc(CN[C@@H](C)c2cccs2)nc1 ZINC000087782116 359927174 /nfs/dbraw/zinc/92/71/74/359927174.db2.gz YIPLGAGTCHSXEO-NSHDSACASA-N 0 1 232.352 3.302 10 0 BGAEMN Cc1ccc(CN[C@H](C)c2cccs2)nc1 ZINC000087782118 359927753 /nfs/dbraw/zinc/92/77/53/359927753.db2.gz YIPLGAGTCHSXEO-LLVKDONJSA-N 0 1 232.352 3.302 10 0 BGAEMN CC(C)(C)c1cc(Cl)c(O)cc1[N+](=O)[O-] ZINC000088259923 368908750 /nfs/dbraw/zinc/90/87/50/368908750.db2.gz OUYLTEFMPYJVCE-UHFFFAOYSA-N 0 1 229.663 3.251 10 0 BGAEMN CC(=O)c1nc2ccc(-c3ccccc3)cc2[nH]1 ZINC000089194990 191020631 /nfs/dbraw/zinc/02/06/31/191020631.db2.gz ACQHCHVZHLFHEW-UHFFFAOYSA-N 0 1 236.274 3.433 10 0 BGAEMN O=Cc1ccc(Oc2ccc3nc[nH]c3c2)cc1 ZINC000089195155 383942330 /nfs/dbraw/zinc/94/23/30/383942330.db2.gz YMLVFGNUUMWQPA-UHFFFAOYSA-N 0 1 238.246 3.168 10 0 BGAEMN c1nc2cccc(Cc3ccccc3)c2[nH]1 ZINC000089195202 383941673 /nfs/dbraw/zinc/94/16/73/383941673.db2.gz AVDITBZSQZMCFS-UHFFFAOYSA-N 0 1 208.264 3.154 10 0 BGAEMN CCCCOc1cccc2n[nH]c(C)c21 ZINC000089196243 344245560 /nfs/dbraw/zinc/24/55/60/344245560.db2.gz DHDLWFGOMDKTPP-UHFFFAOYSA-N 0 1 204.273 3.050 10 0 BGAEMN O=c1cc2[nH][nH]cc-2c(Sc2ccccc2)c1 ZINC000089196510 183262050 /nfs/dbraw/zinc/26/20/50/183262050.db2.gz FPQQEWUDYRMCDO-UHFFFAOYSA-N 0 1 242.303 3.420 10 0 BGAEMN CCc1cc(Br)cc2c(C)n[nH]c21 ZINC000089196846 383944664 /nfs/dbraw/zinc/94/46/64/383944664.db2.gz XKSAHZJOTZBSFL-UHFFFAOYSA-N 0 1 239.116 3.196 10 0 BGAEMN Cc1cc2[nH]ncc2cc1OCc1ccccc1 ZINC000089197137 178276134 /nfs/dbraw/zinc/27/61/34/178276134.db2.gz ZOYYTMVCHNOQPF-UHFFFAOYSA-N 0 1 238.290 3.450 10 0 BGAEMN Clc1ccc(Nc2ccnc3nc[nH]c32)cc1 ZINC000089202960 383944616 /nfs/dbraw/zinc/94/46/16/383944616.db2.gz HSWYWMMNOORDOR-UHFFFAOYSA-N 0 1 244.685 3.355 10 0 BGAEMN Clc1cccc(Nc2ccnc3nc[nH]c32)c1 ZINC000089202966 383943368 /nfs/dbraw/zinc/94/33/68/383943368.db2.gz IBGCZJGBRNUYMF-UHFFFAOYSA-N 0 1 244.685 3.355 10 0 BGAEMN Clc1ccccc1Nc1ccnc2nc[nH]c21 ZINC000089202969 383943419 /nfs/dbraw/zinc/94/34/19/383943419.db2.gz PLFXZXGYNMHWIH-UHFFFAOYSA-N 0 1 244.685 3.355 10 0 BGAEMN CSc1cc(Cl)cc2c1C(=O)CN2 ZINC000089203885 383946667 /nfs/dbraw/zinc/94/66/67/383946667.db2.gz URFMEASKNYAVOQ-UHFFFAOYSA-N 0 1 213.689 3.249 10 0 BGAEMN COc1ccc(-c2nccc3[nH]ccc32)cc1 ZINC000089220634 175040559 /nfs/dbraw/zinc/04/05/59/175040559.db2.gz PGTJDUGDAISZOA-UHFFFAOYSA-N 0 1 224.263 3.239 10 0 BGAEMN CC(C)n1cncc1CN[C@@H](C)c1cccs1 ZINC000090207697 360064597 /nfs/dbraw/zinc/06/45/97/360064597.db2.gz VIBKMLCMJHTVCL-NSHDSACASA-N 0 1 249.383 3.376 10 0 BGAEMN CC(C)n1cncc1CN[C@H](C)c1cccs1 ZINC000090207698 360064469 /nfs/dbraw/zinc/06/44/69/360064469.db2.gz VIBKMLCMJHTVCL-LLVKDONJSA-N 0 1 249.383 3.376 10 0 BGAEMN CN1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000090505017 173035953 /nfs/dbraw/zinc/03/59/53/173035953.db2.gz KXRPRXTWYMJVQT-LLVKDONJSA-N 0 1 229.245 3.472 10 0 BGAEMN CN1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000090505018 173059902 /nfs/dbraw/zinc/05/99/02/173059902.db2.gz KXRPRXTWYMJVQT-NSHDSACASA-N 0 1 229.245 3.472 10 0 BGAEMN C[C@H](NCc1cc[nH]c1)c1cc(F)ccc1F ZINC000090994333 491130195 /nfs/dbraw/zinc/13/01/95/491130195.db2.gz GKESYUTXUNCBMW-VIFPVBQESA-N 0 1 236.265 3.144 10 0 BGAEMN C[C@@H](NCc1cc[nH]c1)c1cc(F)ccc1F ZINC000090994334 491130180 /nfs/dbraw/zinc/13/01/80/491130180.db2.gz GKESYUTXUNCBMW-SECBINFHSA-N 0 1 236.265 3.144 10 0 BGAEMN CCCn1ccc(CN[C@@H](C)c2ccccn2)c1 ZINC000091009577 135558408 /nfs/dbraw/zinc/55/84/08/135558408.db2.gz GWKFXJOOALGSPT-ZDUSSCGKSA-N 0 1 243.354 3.144 10 0 BGAEMN CCn1cccc1CNCc1ccccc1Cl ZINC000091022337 172207206 /nfs/dbraw/zinc/20/72/06/172207206.db2.gz FSZNRQHPDNHPDT-UHFFFAOYSA-N 0 1 248.757 3.451 10 0 BGAEMN CCn1cccc1CN[C@@H]1CCCc2occc21 ZINC000091023186 172208722 /nfs/dbraw/zinc/20/87/22/172208722.db2.gz OZMGHBSXYLOKLA-CQSZACIVSA-N 0 1 244.338 3.268 10 0 BGAEMN CCn1cccc1CN[C@H]1CCCc2occc21 ZINC000091023189 172209688 /nfs/dbraw/zinc/20/96/88/172209688.db2.gz OZMGHBSXYLOKLA-AWEZNQCLSA-N 0 1 244.338 3.268 10 0 BGAEMN CCn1cccc1CN[C@@H](C)c1ccc(C)o1 ZINC000091023822 172208618 /nfs/dbraw/zinc/20/86/18/172208618.db2.gz JQWKMHSEWQSWGU-LBPRGKRZSA-N 0 1 232.327 3.260 10 0 BGAEMN CCn1cccc1CN[C@H](C)c1ccc(C)o1 ZINC000091023825 172209664 /nfs/dbraw/zinc/20/96/64/172209664.db2.gz JQWKMHSEWQSWGU-GFCCVEGCSA-N 0 1 232.327 3.260 10 0 BGAEMN CCCc1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3N2)n1 ZINC000091355373 644624137 /nfs/dbraw/zinc/62/41/37/644624137.db2.gz DGJWMQNGRHUCGP-SRVKXCTJSA-N 0 1 249.358 3.005 10 0 BGAEMN CCCc1noc([C@@H]2CC[C@H]3CCCC[C@@H]3N2)n1 ZINC000091355375 644624567 /nfs/dbraw/zinc/62/45/67/644624567.db2.gz DGJWMQNGRHUCGP-WOPDTQHZSA-N 0 1 249.358 3.005 10 0 BGAEMN Cc1cccnc1CN1CCC[C@@H]1c1ccco1 ZINC000093174519 179373143 /nfs/dbraw/zinc/37/31/43/179373143.db2.gz XTNVUUBJFQRQIB-CQSZACIVSA-N 0 1 242.322 3.320 10 0 BGAEMN Cc1cccnc1CN1CCC[C@H]1c1ccco1 ZINC000093174521 179375147 /nfs/dbraw/zinc/37/51/47/179375147.db2.gz XTNVUUBJFQRQIB-AWEZNQCLSA-N 0 1 242.322 3.320 10 0 BGAEMN c1coc(CN2CCC[C@@H]2c2ccco2)c1 ZINC000093325199 360230530 /nfs/dbraw/zinc/23/05/30/360230530.db2.gz DXVVJTVUKBVFBW-GFCCVEGCSA-N 0 1 217.268 3.210 10 0 BGAEMN c1coc(CN2CCC[C@H]2c2ccco2)c1 ZINC000093325200 360231164 /nfs/dbraw/zinc/23/11/64/360231164.db2.gz DXVVJTVUKBVFBW-LBPRGKRZSA-N 0 1 217.268 3.210 10 0 BGAEMN Oc1cccc(CN2CCC[C@@H]2c2ccco2)c1 ZINC000093335329 360233284 /nfs/dbraw/zinc/23/32/84/360233284.db2.gz NCTRYLWKGWTWGR-CQSZACIVSA-N 0 1 243.306 3.322 10 0 BGAEMN Oc1cccc(CN2CCC[C@H]2c2ccco2)c1 ZINC000093335330 135592357 /nfs/dbraw/zinc/59/23/57/135592357.db2.gz NCTRYLWKGWTWGR-AWEZNQCLSA-N 0 1 243.306 3.322 10 0 BGAEMN Cc1ncccc1CN1CCC[C@@H]1c1ccco1 ZINC000093335377 360233111 /nfs/dbraw/zinc/23/31/11/360233111.db2.gz LAYFVMHLMNMKOA-CQSZACIVSA-N 0 1 242.322 3.320 10 0 BGAEMN Cc1ncccc1CN1CCC[C@H]1c1ccco1 ZINC000093335379 360232354 /nfs/dbraw/zinc/23/23/54/360232354.db2.gz LAYFVMHLMNMKOA-AWEZNQCLSA-N 0 1 242.322 3.320 10 0 BGAEMN c1csc(CN2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000093438051 384239292 /nfs/dbraw/zinc/23/92/92/384239292.db2.gz UPWQYGDRDKIZMH-CYBMUJFWSA-N 0 1 247.367 3.198 10 0 BGAEMN c1csc(CN2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000093438052 384239548 /nfs/dbraw/zinc/23/95/48/384239548.db2.gz UPWQYGDRDKIZMH-ZDUSSCGKSA-N 0 1 247.367 3.198 10 0 BGAEMN Cc1ccc(CN2CCCC[C@@H]2c2cn[nH]c2)o1 ZINC000093438055 384238498 /nfs/dbraw/zinc/23/84/98/384238498.db2.gz CCYTWILOZAWOBU-CQSZACIVSA-N 0 1 245.326 3.038 10 0 BGAEMN Cc1ccc(CN2CCCC[C@H]2c2cn[nH]c2)o1 ZINC000093438056 384237799 /nfs/dbraw/zinc/23/77/99/384237799.db2.gz CCYTWILOZAWOBU-AWEZNQCLSA-N 0 1 245.326 3.038 10 0 BGAEMN c1cc(CN2CCCC[C@@H]2c2cn[nH]c2)cs1 ZINC000093438475 183340411 /nfs/dbraw/zinc/34/04/11/183340411.db2.gz VIKMQVDSZSKEKA-CYBMUJFWSA-N 0 1 247.367 3.198 10 0 BGAEMN c1cc(CN2CCCC[C@H]2c2cn[nH]c2)cs1 ZINC000093438476 183342881 /nfs/dbraw/zinc/34/28/81/183342881.db2.gz VIKMQVDSZSKEKA-ZDUSSCGKSA-N 0 1 247.367 3.198 10 0 BGAEMN CC(C)(C)C[C@H](NC1COC1)c1ccccc1 ZINC000094710132 534642475 /nfs/dbraw/zinc/64/24/75/534642475.db2.gz QHHORRFDAFISLO-AWEZNQCLSA-N 0 1 233.355 3.152 10 0 BGAEMN Cc1ccc([C@H](C)NCc2ccccn2)cc1F ZINC000094836578 360322717 /nfs/dbraw/zinc/32/27/17/360322717.db2.gz TUUZAUVJDBJLFV-LBPRGKRZSA-N 0 1 244.313 3.380 10 0 BGAEMN Cc1cc(CC(C)C)[nH]c2nc(Cl)nc1-2 ZINC000095081097 384358206 /nfs/dbraw/zinc/35/82/06/384358206.db2.gz KVNYVFDFFRIMDK-UHFFFAOYSA-N 0 1 223.707 3.118 10 0 BGAEMN CCOc1ccccc1NC1=NCCCCC1 ZINC000095082096 384358039 /nfs/dbraw/zinc/35/80/39/384358039.db2.gz YTKCNDCDYVUBFY-UHFFFAOYSA-N 0 1 232.327 3.470 10 0 BGAEMN Oc1ccc(F)c2nc(C(F)(F)F)sc21 ZINC000095643071 183274629 /nfs/dbraw/zinc/27/46/29/183274629.db2.gz FJDGEFJKQFGCJE-UHFFFAOYSA-N 0 1 237.177 3.160 10 0 BGAEMN Cc1cc(OC2CC2)c(C(C)(C)C)cn1 ZINC000095723158 178208052 /nfs/dbraw/zinc/20/80/52/178208052.db2.gz DVKZYRRTEJQLQM-UHFFFAOYSA-N 0 1 205.301 3.229 10 0 BGAEMN CCc1nccc(OC2CC2)c1C(C)C ZINC000095723208 188147317 /nfs/dbraw/zinc/14/73/17/188147317.db2.gz RTROWHXQNBNLFD-UHFFFAOYSA-N 0 1 205.301 3.309 10 0 BGAEMN Cc1cc(OC2CC2)cc(C(C)(C)C)n1 ZINC000095726232 178208547 /nfs/dbraw/zinc/20/85/47/178208547.db2.gz XVUBKPPUYNJYIG-UHFFFAOYSA-N 0 1 205.301 3.229 10 0 BGAEMN Cc1nccc(OC2CC2)c1C(C)(C)C ZINC000095726608 180207960 /nfs/dbraw/zinc/20/79/60/180207960.db2.gz FLJXCSPONNAOFW-UHFFFAOYSA-N 0 1 205.301 3.229 10 0 BGAEMN C/C=C1/C[N@@H+](Cc2ccccc2)CC=C1C ZINC000095932846 384411893 /nfs/dbraw/zinc/41/18/93/384411893.db2.gz UKRLXBNAFJUJBF-CQPUUCJISA-N 0 1 213.324 3.395 10 0 BGAEMN Cc1cc(Br)cc2scc(O)c21 ZINC000095935933 384415549 /nfs/dbraw/zinc/41/55/49/384415549.db2.gz NXHMGCKIJQPNIE-UHFFFAOYSA-N 0 1 243.125 3.046 10 0 BGAEMN Fc1cc(Cl)cc2c(Br)[nH]nc21 ZINC000096320986 346112861 /nfs/dbraw/zinc/11/28/61/346112861.db2.gz WKGKHQGHOIJCES-UHFFFAOYSA-N 0 1 249.470 3.118 10 0 BGAEMN CCC(C(=O)C(C)(C)C)=C(O)C(C)(C)C ZINC000096327316 538613923 /nfs/dbraw/zinc/61/39/23/538613923.db2.gz JKEWQMMYIOHEBI-UHFFFAOYSA-N 0 1 212.333 3.243 10 0 BGAEMN CCCC=Cc1ccc2nc([C@@H](C)O)[nH]c2c1 ZINC000096714194 644832222 /nfs/dbraw/zinc/83/22/22/644832222.db2.gz OPJXTHUYLQEEBV-WWQCOOJYSA-N 0 1 230.311 3.430 10 0 BGAEMN CCCC=Cc1ccc2nc([C@H](C)O)[nH]c2c1 ZINC000096714195 644833205 /nfs/dbraw/zinc/83/32/05/644833205.db2.gz OPJXTHUYLQEEBV-OMMCCPJFSA-N 0 1 230.311 3.430 10 0 BGAEMN C/C=C(/C)CN(C)Cc1nc2ccc(C)cc2[nH]1 ZINC000096851296 644843717 /nfs/dbraw/zinc/84/37/17/644843717.db2.gz APAUTNWCRIPVDT-WZUFQYTHSA-N 0 1 243.354 3.269 10 0 BGAEMN C(=Cc1ccccc1)c1n[nH]c(-c2ccccn2)n1 ZINC000096859832 644843655 /nfs/dbraw/zinc/84/36/55/644843655.db2.gz ZGRZVZMQLOUKDX-KTKRTIGZSA-N 0 1 248.289 3.037 10 0 BGAEMN CCC[C@@H](N)c1cc(-c2cccc(OC)c2)no1 ZINC000096983513 169392981 /nfs/dbraw/zinc/39/29/81/169392981.db2.gz JLKZXGRXYXJTIH-GFCCVEGCSA-N 0 1 246.310 3.150 10 0 BGAEMN COc1cccc(-c2cc(C(F)(F)F)n[nH]2)c1 ZINC000098208215 175232910 /nfs/dbraw/zinc/23/29/10/175232910.db2.gz ZYXHXNGIOSVJRA-UHFFFAOYSA-N 0 1 242.200 3.104 10 0 in-vitro BGAEMN CSC(=S)C=C(O)c1ccccc1 ZINC000100059436 357922445 /nfs/dbraw/zinc/92/24/45/357922445.db2.gz VSZUJXAFANYLAI-CLFYSBASSA-N 0 1 210.323 3.276 10 0 BGAEMN CN1N=C(c2ccc(C(C)(C)C)cc2)CC1=O ZINC000100231376 490366849 /nfs/dbraw/zinc/36/68/49/490366849.db2.gz VBSPGWXPFOSYQQ-UHFFFAOYSA-N 0 1 230.311 3.090 10 0 BGAEMN OC(=CC(=S)N1CCCC1)c1ccccc1 ZINC000100293008 384630711 /nfs/dbraw/zinc/63/07/11/384630711.db2.gz GEKZJJVLNNWBAD-ZRDIBKRKSA-N 0 1 233.336 3.009 10 0 BGAEMN Cc1cccc2nc(-c3ccc(N)s3)[nH]c21 ZINC000100719197 179228296 /nfs/dbraw/zinc/22/82/96/179228296.db2.gz BPVXLJNMFZGNKM-UHFFFAOYSA-N 0 1 229.308 3.182 10 0 BGAEMN Cc1cccc2nc(-c3ccsc3N)[nH]c21 ZINC000100719212 179227861 /nfs/dbraw/zinc/22/78/61/179227861.db2.gz VVWVOBWGJCFDQL-UHFFFAOYSA-N 0 1 229.308 3.182 10 0 BGAEMN O=C1CNc2cc(Cl)cc(Cl)c21 ZINC000100722663 183255901 /nfs/dbraw/zinc/25/59/01/183255901.db2.gz GNQCMEXQKWNSSG-UHFFFAOYSA-N 0 1 202.040 3.180 10 0 BGAEMN Cc1[nH]n(-c2ccccc2)c(=O)c1C1CCCC1 ZINC000100998756 168135490 /nfs/dbraw/zinc/13/54/90/168135490.db2.gz LDWUCESUGWDIRJ-CQSZACIVSA-N 0 1 242.322 3.216 10 0 BGAEMN Cc1[nH]n(-c2ccccc2)c(=O)c1CC(C)C ZINC000101075631 168135393 /nfs/dbraw/zinc/13/53/93/168135393.db2.gz YOQLDYYUCQUBHZ-ZDUSSCGKSA-N 0 1 230.311 3.071 10 0 BGAEMN C[C@H]1C(=O)[C@@H](C)[C@H](C)N(Cc2ccccc2)[C@H]1C ZINC000101417452 344421922 /nfs/dbraw/zinc/42/19/22/344421922.db2.gz LPKQYIKVPAIMPD-CRWXNKLISA-N 0 1 245.366 3.121 10 0 BGAEMN C[C@H]1C(=O)[C@@H](C)[C@H](C)N(Cc2ccccc2)[C@@H]1C ZINC000101417457 368384256 /nfs/dbraw/zinc/38/42/56/368384256.db2.gz LPKQYIKVPAIMPD-KPWCQOOUSA-N 0 1 245.366 3.121 10 0 BGAEMN CN(C)c1ccnc2cc(C(F)(F)F)ccc21 ZINC000101483302 368339420 /nfs/dbraw/zinc/33/94/20/368339420.db2.gz SHXQLLSEDJOSAF-UHFFFAOYSA-N 0 1 240.228 3.320 10 0 BGAEMN CCCCN1N=C(c2ccccc2)CC1=O ZINC000101707180 169038448 /nfs/dbraw/zinc/03/84/48/169038448.db2.gz PTWLMDUNYRBHTM-UHFFFAOYSA-N 0 1 216.284 3.056 10 0 BGAEMN CCCc1ccc(C(O)=CC(=O)CC)cc1 ZINC000101835690 188334310 /nfs/dbraw/zinc/33/43/10/188334310.db2.gz HJDCTAPLUHADLX-UHFFFAOYSA-N 0 1 218.296 3.191 10 0 BGAEMN Cc1[nH]n(-c2ccc(C)c(Cl)c2)c(=O)c1C ZINC000103294600 168133884 /nfs/dbraw/zinc/13/38/84/168133884.db2.gz YBVBDEZERHFNPY-MRVPVSSYSA-N 0 1 236.702 3.007 10 0 BGAEMN Cc1[nH]n(-c2ccc(C)c(Cl)c2)c(=O)c1C ZINC000103294602 168133506 /nfs/dbraw/zinc/13/35/06/168133506.db2.gz YBVBDEZERHFNPY-QMMMGPOBSA-N 0 1 236.702 3.007 10 0 BGAEMN CCCC[N@@H+](C)Cc1cccc(/C=C\C(=O)[O-])c1 ZINC000103376973 168779567 /nfs/dbraw/zinc/77/95/67/168779567.db2.gz XQAAANUIHZLWJU-HJWRWDBZSA-N 0 1 247.338 3.016 10 0 BGAEMN CC[C@H](C)[N@@H+](C)Cc1ccccc1/C=C\C(=O)[O-] ZINC000103377402 171308296 /nfs/dbraw/zinc/30/82/96/171308296.db2.gz XZRHREDAXYFQNW-PRDAAYKISA-N 0 1 247.338 3.015 10 0 BGAEMN CC[C@H](C)[N@@H+](C)Cc1ccc(/C=C\C(=O)[O-])cc1 ZINC000103377407 171308384 /nfs/dbraw/zinc/30/83/84/171308384.db2.gz MAZPCSMPSGPWMO-PRDAAYKISA-N 0 1 247.338 3.015 10 0 BGAEMN CC[C@H](C)[N@@H+](C)Cc1cccc(/C=C\C(=O)[O-])c1 ZINC000103377533 171308355 /nfs/dbraw/zinc/30/83/55/171308355.db2.gz KUKQRAPCNDUDFT-LAUAKBEESA-N 0 1 247.338 3.015 10 0 BGAEMN CCC[N@@H+](CC)Cc1ccccc1/C=C\C(=O)[O-] ZINC000103377757 169129635 /nfs/dbraw/zinc/12/96/35/169129635.db2.gz NVQWBCHUFUTWJL-KTKRTIGZSA-N 0 1 247.338 3.016 10 0 BGAEMN CCC[N@@H+](CC)Cc1ccc(/C=C\C(=O)[O-])cc1 ZINC000103377857 169130604 /nfs/dbraw/zinc/13/06/04/169130604.db2.gz VNPUADMTVVPODM-KTKRTIGZSA-N 0 1 247.338 3.016 10 0 BGAEMN CCC[N@@H+](CC)Cc1cccc(/C=C\C(=O)[O-])c1 ZINC000103377861 169130023 /nfs/dbraw/zinc/13/00/23/169130023.db2.gz VELMNCRLWQIHMO-HJWRWDBZSA-N 0 1 247.338 3.016 10 0 BGAEMN Cc1ccc(C(O)=CC(=O)C(C)(C)C)cc1C ZINC000103464962 178371424 /nfs/dbraw/zinc/37/14/24/178371424.db2.gz FDJBAPBEPPRCEH-UHFFFAOYSA-N 0 1 232.323 3.491 10 0 BGAEMN CCCn1cnc([C@@H](C)c2ccccc2)c1N ZINC000103474375 187291902 /nfs/dbraw/zinc/29/19/02/187291902.db2.gz SPXDFZHUTQWWMU-NSHDSACASA-N 0 1 229.327 3.027 10 0 BGAEMN CCCn1cnc([C@H](C)c2ccccc2)c1N ZINC000103474378 188150463 /nfs/dbraw/zinc/15/04/63/188150463.db2.gz SPXDFZHUTQWWMU-LLVKDONJSA-N 0 1 229.327 3.027 10 0 BGAEMN C[C@H](c1ncn(C(C)(C)C)c1N)c1ccccc1 ZINC000103474417 176024242 /nfs/dbraw/zinc/02/42/42/176024242.db2.gz MTALCLXEUUMVIR-NSHDSACASA-N 0 1 243.354 3.372 10 0 BGAEMN CCCCn1cnc([C@@H](C)c2ccccc2)c1N ZINC000103474421 169036193 /nfs/dbraw/zinc/03/61/93/169036193.db2.gz TVISHNXIMHFOPQ-LBPRGKRZSA-N 0 1 243.354 3.417 10 0 BGAEMN CCCCn1cnc([C@H](C)c2ccccc2)c1N ZINC000103474424 169036378 /nfs/dbraw/zinc/03/63/78/169036378.db2.gz TVISHNXIMHFOPQ-GFCCVEGCSA-N 0 1 243.354 3.417 10 0 BGAEMN CCC[C@@H](C)c1ncn(Cc2ccccc2)c1N ZINC000103474466 169375213 /nfs/dbraw/zinc/37/52/13/169375213.db2.gz ZLYCUJIPYDLZLZ-GFCCVEGCSA-N 0 1 243.354 3.417 10 0 BGAEMN CCCCn1c(C)nc(-c2ccccc2F)c1N ZINC000103499133 169033446 /nfs/dbraw/zinc/03/34/46/169033446.db2.gz WLVZEDTWWOGZBB-UHFFFAOYSA-N 0 1 247.317 3.380 10 0 BGAEMN Cc1nc(-c2ccc(C)c(C)c2)c(N)n1C1CC1 ZINC000103499710 178332745 /nfs/dbraw/zinc/33/27/45/178332745.db2.gz CAVKASORIVFXDV-UHFFFAOYSA-N 0 1 241.338 3.392 10 0 BGAEMN CCn1c(C)nc(-c2cc(C)cc(C)c2)c1N ZINC000103500224 172137868 /nfs/dbraw/zinc/13/78/68/172137868.db2.gz DITMMNMYRXCGJB-UHFFFAOYSA-N 0 1 229.327 3.077 10 0 BGAEMN CCCCn1c(N)c(-c2ccccc2)nc1CC ZINC000103500725 169034095 /nfs/dbraw/zinc/03/40/95/169034095.db2.gz GHLLREYSBHGDAQ-UHFFFAOYSA-N 0 1 243.354 3.495 10 0 BGAEMN CCc1nc(-c2ccc(CC)cc2)c(N)n1CC ZINC000103500835 171779337 /nfs/dbraw/zinc/77/93/37/171779337.db2.gz OYTLDCUVIWPYBH-UHFFFAOYSA-N 0 1 243.354 3.277 10 0 BGAEMN CCn1c(N)c(C2CCCC2)nc1C(C)(C)C ZINC000103500875 172134905 /nfs/dbraw/zinc/13/49/05/172134905.db2.gz OUYPMPRQRBTCAL-UHFFFAOYSA-N 0 1 235.375 3.440 10 0 BGAEMN CCc1nc(-c2cc(C)ccc2C)c(N)n1CC ZINC000103500949 171937546 /nfs/dbraw/zinc/93/75/46/171937546.db2.gz SEGXJFQIWIPADC-UHFFFAOYSA-N 0 1 243.354 3.331 10 0 BGAEMN CCCc1nc(-c2ccccc2C)c(N)n1CC ZINC000103501089 169581358 /nfs/dbraw/zinc/58/13/58/169581358.db2.gz FZWLOBYVHAZMIJ-UHFFFAOYSA-N 0 1 243.354 3.413 10 0 BGAEMN Nc1c(C2CCCC2)nc(C2CC2)n1C1CC1 ZINC000103501241 181666821 /nfs/dbraw/zinc/66/68/21/181666821.db2.gz RWDRXGAKFPXYJN-UHFFFAOYSA-N 0 1 231.343 3.335 10 0 BGAEMN CCCCc1nc(C(C)(C)C)n(C2CC2)c1N ZINC000103501248 188150381 /nfs/dbraw/zinc/15/03/81/188150381.db2.gz KTUGVSWIQSNJOF-UHFFFAOYSA-N 0 1 235.375 3.440 10 0 BGAEMN CCn1c(N)c(Cc2ccccc2)nc1C(C)C ZINC000103501350 172134154 /nfs/dbraw/zinc/13/41/54/172134154.db2.gz RYCZUJVJIPYEQY-UHFFFAOYSA-N 0 1 243.354 3.199 10 0 BGAEMN CCCCn1c(N)c(C(C)(C)C)nc1C1CC1 ZINC000103501479 169033940 /nfs/dbraw/zinc/03/39/40/169033940.db2.gz LINBZSSZYXVNCW-UHFFFAOYSA-N 0 1 235.375 3.440 10 0 BGAEMN CCn1c(N)c(C(C)(C)C)nc1C1CCCC1 ZINC000103502387 172143457 /nfs/dbraw/zinc/14/34/57/172143457.db2.gz XCZXUSVAZUIHIF-UHFFFAOYSA-N 0 1 235.375 3.440 10 0 BGAEMN O=C(C=C(O)c1ccccc1)C1CCCCC1 ZINC000103723152 188323791 /nfs/dbraw/zinc/32/37/91/188323791.db2.gz KYHGDYAIFSXSEX-UHFFFAOYSA-N 0 1 230.307 3.409 10 0 BGAEMN C/C(=C/c1ccccc1)CN1C[C@H](C)O[C@@H](C)C1 ZINC000103861514 387463672 /nfs/dbraw/zinc/46/36/72/387463672.db2.gz BZZRQIOENOHKAS-FVIMBVCGSA-N 0 1 245.366 3.199 10 0 BGAEMN COc1ccc(Cl)c2nc(C3CC3)cc(N)c12 ZINC000103956462 175119834 /nfs/dbraw/zinc/11/98/34/175119834.db2.gz XBAUFNCNQVHKBZ-UHFFFAOYSA-N 0 1 248.713 3.356 10 0 BGAEMN Cc1cc(N)sc1-c1nc2cccc(C)c2[nH]1 ZINC000104086330 178111552 /nfs/dbraw/zinc/11/15/52/178111552.db2.gz MPDHMOCUQDTGOV-UHFFFAOYSA-N 0 1 243.335 3.490 10 0 BGAEMN CCc1nc2c(OC)ccc(C)c2c(NC)c1C ZINC000104159172 172008823 /nfs/dbraw/zinc/00/88/23/172008823.db2.gz HDAJIMPZEFLZLZ-UHFFFAOYSA-N 0 1 244.338 3.464 10 0 BGAEMN CCN[C@@H](c1cccc(F)c1)c1cccc(C)n1 ZINC000104160066 170148912 /nfs/dbraw/zinc/14/89/12/170148912.db2.gz RBGQZQOCRKOBTH-HNNXBMFYSA-N 0 1 244.313 3.228 10 0 BGAEMN CCN[C@H](c1cccc(F)c1)c1cccc(C)n1 ZINC000104160069 170164349 /nfs/dbraw/zinc/16/43/49/170164349.db2.gz RBGQZQOCRKOBTH-OAHLLOKOSA-N 0 1 244.313 3.228 10 0 BGAEMN CCc1nc2cc(F)c(F)cc2c(NC)c1C ZINC000104161546 172010669 /nfs/dbraw/zinc/01/06/69/172010669.db2.gz ATZIDIPQHMNGCS-UHFFFAOYSA-N 0 1 236.265 3.426 10 0 BGAEMN C[C@@H]1CCC[C@](N)(c2nc3ccc(F)cc3o2)C1 ZINC000104234230 176151938 /nfs/dbraw/zinc/15/19/38/176151938.db2.gz KGUYVHJCUGPFKJ-YMTOWFKASA-N 0 1 248.301 3.331 10 0 BGAEMN C[C@H]1CCC[C@](N)(c2nc3ccc(F)cc3o2)C1 ZINC000104234233 177143596 /nfs/dbraw/zinc/14/35/96/177143596.db2.gz KGUYVHJCUGPFKJ-LKFCYVNXSA-N 0 1 248.301 3.331 10 0 BGAEMN C[C@@H]1CCC[C@@](N)(c2nc3ccc(F)cc3o2)C1 ZINC000104234239 176133570 /nfs/dbraw/zinc/13/35/70/176133570.db2.gz KGUYVHJCUGPFKJ-OTYXRUKQSA-N 0 1 248.301 3.331 10 0 BGAEMN C[C@H]1CCC[C@@](N)(c2nc3ccc(F)cc3o2)C1 ZINC000104234241 177127341 /nfs/dbraw/zinc/12/73/41/177127341.db2.gz KGUYVHJCUGPFKJ-XPTSAGLGSA-N 0 1 248.301 3.331 10 0 BGAEMN NC1(c2nc3ccc(F)cc3o2)CCCCCC1 ZINC000104240165 181335473 /nfs/dbraw/zinc/33/54/73/181335473.db2.gz KGMUWBJEARIXIL-UHFFFAOYSA-N 0 1 248.301 3.475 10 0 BGAEMN Cc1nc(-c2ccc(C)c(F)c2)c(N)n1C1CC1 ZINC000104345263 178332632 /nfs/dbraw/zinc/33/26/32/178332632.db2.gz NRRCVUFWCDXICF-UHFFFAOYSA-N 0 1 245.301 3.223 10 0 BGAEMN C[C@H](c1nc2ccccn2c1N)c1ccccc1 ZINC000104361780 176024008 /nfs/dbraw/zinc/02/40/08/176024008.db2.gz LAXOYSMRQLSNDS-NSHDSACASA-N 0 1 237.306 3.068 10 0 BGAEMN CC[C@H]1CCCC[C@H]1[N@@H+](CC)C(C)(C)C(=O)[O-] ZINC000104379174 171611442 /nfs/dbraw/zinc/61/14/42/171611442.db2.gz LOKHGWDTOYKCTQ-NWDGAFQWSA-N 0 1 241.375 3.140 10 0 BGAEMN CC[C@@H]1CCCC[C@H]1[N@@H+](CCC(=O)[O-])C(C)C ZINC000104390356 170970021 /nfs/dbraw/zinc/97/00/21/170970021.db2.gz UAZPZOOTCVCKGL-CHWSQXEVSA-N 0 1 241.375 3.140 10 0 BGAEMN CC[C@H](C)[N@@H+](CC(=O)[O-])[C@H]1CCCC[C@H]1CC ZINC000104390365 171310608 /nfs/dbraw/zinc/31/06/08/171310608.db2.gz OUXJPRQCPXYOSE-XQQFMLRXSA-N 0 1 241.375 3.140 10 0 BGAEMN CC[C@H](C)[N@@H+](CC(=O)[O-])[C@@H]1CCCC[C@H]1CC ZINC000104390375 171311178 /nfs/dbraw/zinc/31/11/78/171311178.db2.gz OUXJPRQCPXYOSE-YNEHKIRRSA-N 0 1 241.375 3.140 10 0 BGAEMN CC[C@H](C(=O)c1ccccc1)N(C)C[C@@H]1C[C@@H]1C ZINC000104415271 171242253 /nfs/dbraw/zinc/24/22/53/171242253.db2.gz NMWNGOCEAFHUBE-AEGPPILISA-N 0 1 245.366 3.236 10 0 BGAEMN Cc1cc(F)ccc1-n1[nH]c(C(C)(C)C)cc1=O ZINC000104427127 178088762 /nfs/dbraw/zinc/08/87/62/178088762.db2.gz JCKAGJUCNUXIOM-UHFFFAOYSA-N 0 1 248.301 3.273 10 0 BGAEMN CCC[C@@H](N)c1noc(C[C@@H](C)C(C)(C)C)n1 ZINC000104447985 169395188 /nfs/dbraw/zinc/39/51/88/169395188.db2.gz GVHMATFGMVNQFF-NXEZZACHSA-N 0 1 239.363 3.094 10 0 BGAEMN CCC[C@@H](N)c1noc(C[C@H](C)C(C)(C)C)n1 ZINC000104447991 169394574 /nfs/dbraw/zinc/39/45/74/169394574.db2.gz GVHMATFGMVNQFF-VHSXEESVSA-N 0 1 239.363 3.094 10 0 BGAEMN Cc1ccc(C(O)=CC(=O)C(C)C)cc1C ZINC000104489665 178371943 /nfs/dbraw/zinc/37/19/43/178371943.db2.gz MLNJDHIPIDLGKM-UHFFFAOYSA-N 0 1 218.296 3.101 10 0 BGAEMN Cc1ccc(C(O)=CC(=O)C(C)C)c(C)c1 ZINC000104489681 178371684 /nfs/dbraw/zinc/37/16/84/178371684.db2.gz PRVQIDJCWKRUGD-UHFFFAOYSA-N 0 1 218.296 3.101 10 0 BGAEMN Cc1ccc(C(O)=CC(=O)C(C)(C)C)c(C)c1 ZINC000104506748 178371292 /nfs/dbraw/zinc/37/12/92/178371292.db2.gz OFCCONMXNCSSIT-UHFFFAOYSA-N 0 1 232.323 3.491 10 0 BGAEMN Cc1cc(N)sc1-c1nc2ccc(F)cc2[nH]1 ZINC000104665549 178110620 /nfs/dbraw/zinc/11/06/20/178110620.db2.gz MUASQQDGNHIQCB-UHFFFAOYSA-N 0 1 247.298 3.321 10 0 BGAEMN Cc1ccc(S[C@H]2CCCCN2)cc1 ZINC000104833133 178828756 /nfs/dbraw/zinc/82/87/56/178828756.db2.gz GSYZRDXGBONYNM-LBPRGKRZSA-N 0 1 207.342 3.187 10 0 BGAEMN CCn1c(C)nc(-c2cccc(Cl)c2)c1N ZINC000104912122 172136855 /nfs/dbraw/zinc/13/68/55/172136855.db2.gz PQXOKEOTBLBSFO-UHFFFAOYSA-N 0 1 235.718 3.114 10 0 BGAEMN CCn1c(C)nc(-c2ccccc2Cl)c1N ZINC000104912130 172137482 /nfs/dbraw/zinc/13/74/82/172137482.db2.gz HYEJENASFNRCGU-UHFFFAOYSA-N 0 1 235.718 3.114 10 0 BGAEMN CCn1c(C)nc(-c2ccc(Cl)cc2)c1N ZINC000104912136 172138063 /nfs/dbraw/zinc/13/80/63/172138063.db2.gz RERVNZXSDHRDKM-UHFFFAOYSA-N 0 1 235.718 3.114 10 0 BGAEMN Nc1c(C2CCCC2)ncn1Cc1ccccc1 ZINC000106519341 346198669 /nfs/dbraw/zinc/19/86/69/346198669.db2.gz DXSBIASQGBYPTG-UHFFFAOYSA-N 0 1 241.338 3.171 10 0 BGAEMN Cc1nc(C(C)(C)C)n(Cc2ccccc2)c1N ZINC000106839211 355831142 /nfs/dbraw/zinc/83/11/42/355831142.db2.gz JEGMBNIZWMCUQD-UHFFFAOYSA-N 0 1 243.354 3.120 10 0 BGAEMN C[C@@H](C(=O)c1ccccc1)N1CCC[C@H](C)CC1 ZINC000111612989 177104315 /nfs/dbraw/zinc/10/43/15/177104315.db2.gz BGKHDBVTSMCQPH-KBPBESRZSA-N 0 1 245.366 3.380 10 0 BGAEMN CCC(CC)[C@@H](C)Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000111670830 168399713 /nfs/dbraw/zinc/39/97/13/168399713.db2.gz GCIGNUTYTSBVDE-SECBINFHSA-N 0 1 236.315 3.016 10 0 BGAEMN Cc1cc2nc(Cl)[nH]c2cc1Cl ZINC000116183472 178301649 /nfs/dbraw/zinc/30/16/49/178301649.db2.gz HPHAJHDXIDEYPM-UHFFFAOYSA-N 0 1 201.056 3.178 10 0 BGAEMN c1coc([C@H]2CCCN2Cc2ccccn2)c1 ZINC000116289019 183398079 /nfs/dbraw/zinc/39/80/79/183398079.db2.gz YXPFVIQBJQPBOZ-CYBMUJFWSA-N 0 1 228.295 3.012 10 0 BGAEMN c1coc([C@@H]2CCCN2Cc2ccccn2)c1 ZINC000116289023 183399616 /nfs/dbraw/zinc/39/96/16/183399616.db2.gz YXPFVIQBJQPBOZ-ZDUSSCGKSA-N 0 1 228.295 3.012 10 0 BGAEMN CC(C)=CC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116289825 188254816 /nfs/dbraw/zinc/25/48/16/188254816.db2.gz YRFLPXBFXVHOTO-GFCCVEGCSA-N 0 1 205.301 3.383 10 0 BGAEMN Cc1noc(C)c1CN1CCC[C@@H]1c1ccco1 ZINC000116294485 386932474 /nfs/dbraw/zinc/93/24/74/386932474.db2.gz LAYJMLMODHFKHJ-CYBMUJFWSA-N 0 1 246.310 3.222 10 0 BGAEMN Cc1noc(C)c1CN1CCC[C@H]1c1ccco1 ZINC000116294489 386933381 /nfs/dbraw/zinc/93/33/81/386933381.db2.gz LAYJMLMODHFKHJ-ZDUSSCGKSA-N 0 1 246.310 3.222 10 0 BGAEMN Cc1ncc(CN2CCC[C@@H]2c2ccco2)s1 ZINC000116295942 180142702 /nfs/dbraw/zinc/14/27/02/180142702.db2.gz BZCMCQHKLBFECB-GFCCVEGCSA-N 0 1 248.351 3.382 10 0 BGAEMN Cc1ncc(CN2CCC[C@H]2c2ccco2)s1 ZINC000116295945 180142979 /nfs/dbraw/zinc/14/29/79/180142979.db2.gz BZCMCQHKLBFECB-LBPRGKRZSA-N 0 1 248.351 3.382 10 0 BGAEMN c1coc([C@H]2CCCN2Cc2cccnc2)c1 ZINC000116296270 386932999 /nfs/dbraw/zinc/93/29/99/386932999.db2.gz IMDBQJHBGITTKQ-CYBMUJFWSA-N 0 1 228.295 3.012 10 0 BGAEMN c1coc([C@@H]2CCCN2Cc2cccnc2)c1 ZINC000116296273 386932579 /nfs/dbraw/zinc/93/25/79/386932579.db2.gz IMDBQJHBGITTKQ-ZDUSSCGKSA-N 0 1 228.295 3.012 10 0 BGAEMN Cl/C=C/CN1CCC[C@H]1c1ccco1 ZINC000116404574 398089611 /nfs/dbraw/zinc/08/96/11/398089611.db2.gz RDKXZNOAJGTANN-YVGDHZEHSA-N 0 1 211.692 3.169 10 0 BGAEMN Cl/C=C/CN1CCC[C@@H]1c1ccco1 ZINC000116404577 398089486 /nfs/dbraw/zinc/08/94/86/398089486.db2.gz RDKXZNOAJGTANN-QLCVYAKKSA-N 0 1 211.692 3.169 10 0 BGAEMN COc1ccccc1-c1cc(C(F)(F)F)n[nH]1 ZINC000116442556 175309511 /nfs/dbraw/zinc/30/95/11/175309511.db2.gz FVWIKTMTWCPOHM-UHFFFAOYSA-N 0 1 242.200 3.104 10 0 BGAEMN CCCCCN1CCc2c(nc(C(C)C)n2C)C1 ZINC000117881000 387030041 /nfs/dbraw/zinc/03/00/41/387030041.db2.gz YIWUHVOTSFOVHJ-UHFFFAOYSA-N 0 1 249.402 3.092 10 0 BGAEMN Cc1c(C2CC2)cc2nc(CO)[nH]c2c1C1CC1 ZINC000118629485 343051614 /nfs/dbraw/zinc/05/16/14/343051614.db2.gz ULWZSZUPWNRSLD-UHFFFAOYSA-N 0 1 242.322 3.118 10 0 BGAEMN Cc1cccc(NCCc2ccc(F)cc2F)n1 ZINC000121571583 179147185 /nfs/dbraw/zinc/14/71/85/179147185.db2.gz NGJDUGXHLVAVOB-UHFFFAOYSA-N 0 1 248.276 3.323 10 0 BGAEMN CCCCCC(O)=C1CCC(C)(C)C1=O ZINC000125055929 538097632 /nfs/dbraw/zinc/09/76/32/538097632.db2.gz GAUCRCMENLLDKB-JTQLQIEISA-N 0 1 210.317 3.141 10 0 BGAEMN CCCCCC(O)=C1CCC(C)(C)C1=O ZINC000125056177 538097666 /nfs/dbraw/zinc/09/76/66/538097666.db2.gz GAUCRCMENLLDKB-SNVBAGLBSA-N 0 1 210.317 3.141 10 0 BGAEMN FCCCN1CCCC[C@H]1c1nccs1 ZINC000125612225 384734008 /nfs/dbraw/zinc/73/40/08/384734008.db2.gz SLFUFQFGDCFJOR-JTQLQIEISA-N 0 1 228.336 3.030 10 0 BGAEMN FCCCN1CCCC[C@@H]1c1nccs1 ZINC000125612454 384734325 /nfs/dbraw/zinc/73/43/25/384734325.db2.gz SLFUFQFGDCFJOR-SNVBAGLBSA-N 0 1 228.336 3.030 10 0 BGAEMN CCCCc1noc([C@@H](C)N[C@@H](C)C(C)C)n1 ZINC000125868969 169031588 /nfs/dbraw/zinc/03/15/88/169031588.db2.gz HZZNFVHKZHWVRZ-WDEREUQCSA-N 0 1 239.363 3.107 10 0 BGAEMN CCCCc1noc([C@H](C)N[C@@H](C)C(C)C)n1 ZINC000125869142 169032143 /nfs/dbraw/zinc/03/21/43/169032143.db2.gz HZZNFVHKZHWVRZ-QWRGUYRKSA-N 0 1 239.363 3.107 10 0 BGAEMN CCCCc1noc([C@@H](C)N[C@H](C)C(C)C)n1 ZINC000125869361 169030202 /nfs/dbraw/zinc/03/02/02/169030202.db2.gz HZZNFVHKZHWVRZ-GHMZBOCLSA-N 0 1 239.363 3.107 10 0 BGAEMN CCCCc1noc([C@H](C)N[C@H](C)C(C)C)n1 ZINC000125869554 169032681 /nfs/dbraw/zinc/03/26/81/169032681.db2.gz HZZNFVHKZHWVRZ-MNOVXSKESA-N 0 1 239.363 3.107 10 0 BGAEMN CC(C)(C)NCc1csc(C(C)(C)C)n1 ZINC000126599342 324705771 /nfs/dbraw/zinc/70/57/71/324705771.db2.gz LKWQVLOFYAFPHZ-UHFFFAOYSA-N 0 1 226.389 3.329 10 0 BGAEMN Cc1ccc(CN[C@H]2CCc3ccccc32)nc1 ZINC000126960084 490528825 /nfs/dbraw/zinc/52/88/25/490528825.db2.gz JJOKMLDVGHPVIR-INIZCTEOSA-N 0 1 238.334 3.167 10 0 BGAEMN Cc1cc(NCC(F)F)c2cc(F)ccc2n1 ZINC000128118167 178156882 /nfs/dbraw/zinc/15/68/82/178156882.db2.gz CLMMLCAKDDYJND-UHFFFAOYSA-N 0 1 240.228 3.359 10 0 BGAEMN C[C@@H]1CC[C@H]([NH2+]Cc2ccc([O-])c(Cl)c2)C1 ZINC000128527136 591112113 /nfs/dbraw/zinc/11/21/13/591112113.db2.gz YZCSMUMERDDBIO-KOLCDFICSA-N 0 1 239.746 3.324 10 0 BGAEMN C[C@H]1CC[C@H]([NH2+]Cc2ccc([O-])c(Cl)c2)C1 ZINC000128527338 591112628 /nfs/dbraw/zinc/11/26/28/591112628.db2.gz YZCSMUMERDDBIO-ONGXEEELSA-N 0 1 239.746 3.324 10 0 BGAEMN C[C@@H]1CC[C@@H]([NH2+]Cc2ccc([O-])c(Cl)c2)C1 ZINC000128527570 591112358 /nfs/dbraw/zinc/11/23/58/591112358.db2.gz YZCSMUMERDDBIO-MWLCHTKSSA-N 0 1 239.746 3.324 10 0 BGAEMN C[C@H]1CC[C@@H]([NH2+]Cc2ccc([O-])c(Cl)c2)C1 ZINC000128527800 591112898 /nfs/dbraw/zinc/11/28/98/591112898.db2.gz YZCSMUMERDDBIO-GXSJLCMTSA-N 0 1 239.746 3.324 10 0 BGAEMN O=Cc1cn[nH]c1-c1cc2sccc2s1 ZINC000128980514 345247800 /nfs/dbraw/zinc/24/78/00/345247800.db2.gz SFJNEAAGPJPWDS-UHFFFAOYSA-N 0 1 234.305 3.165 10 0 BGAEMN CCc1ccc([C@@H](C)NCc2cnoc2C)cc1 ZINC000129686282 388864747 /nfs/dbraw/zinc/86/47/47/388864747.db2.gz CZJUEKWMKDCFIS-LLVKDONJSA-N 0 1 244.338 3.396 10 0 BGAEMN CCc1ccc([C@H](C)NCc2cnoc2C)cc1 ZINC000129686496 324974334 /nfs/dbraw/zinc/97/43/34/324974334.db2.gz CZJUEKWMKDCFIS-NSHDSACASA-N 0 1 244.338 3.396 10 0 BGAEMN Cc1oncc1CN[C@@H](C)c1ccccc1C ZINC000129688031 388864882 /nfs/dbraw/zinc/86/48/82/388864882.db2.gz JDOPRDJJZGMYGX-NSHDSACASA-N 0 1 230.311 3.142 10 0 BGAEMN Cc1oncc1CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000129939746 388875703 /nfs/dbraw/zinc/87/57/03/388875703.db2.gz BWWGEVDQGLMNAF-JTQLQIEISA-N 0 1 248.301 3.281 10 0 BGAEMN c1coc([C@@H]2CCCN2Cc2ccncc2)c1 ZINC000130626306 358637206 /nfs/dbraw/zinc/63/72/06/358637206.db2.gz ZWENBPVOMYAADF-ZDUSSCGKSA-N 0 1 228.295 3.012 10 0 BGAEMN c1coc([C@H]2CCCN2Cc2ccncc2)c1 ZINC000130626515 358637556 /nfs/dbraw/zinc/63/75/56/358637556.db2.gz ZWENBPVOMYAADF-CYBMUJFWSA-N 0 1 228.295 3.012 10 0 BGAEMN C[C@@H]1C[C@H](C)Cc2nc(C(F)F)[nH]c21 ZINC000131137904 371561868 /nfs/dbraw/zinc/56/18/68/371561868.db2.gz HIHGOOWCSQPHGS-NTSWFWBYSA-N 0 1 200.232 3.033 10 0 BGAEMN C[C@H]1Cc2nc(C(F)F)[nH]c2[C@H](C)C1 ZINC000131138100 371562292 /nfs/dbraw/zinc/56/22/92/371562292.db2.gz HIHGOOWCSQPHGS-PHDIDXHHSA-N 0 1 200.232 3.033 10 0 BGAEMN C[C@@H]1Cc2nc(C(F)F)[nH]c2[C@@H](C)C1 ZINC000131138297 371562315 /nfs/dbraw/zinc/56/23/15/371562315.db2.gz HIHGOOWCSQPHGS-WDSKDSINSA-N 0 1 200.232 3.033 10 0 BGAEMN C[C@H]1Cc2nc(C(F)F)[nH]c2[C@@H](C)C1 ZINC000131138523 371561966 /nfs/dbraw/zinc/56/19/66/371561966.db2.gz HIHGOOWCSQPHGS-RITPCOANSA-N 0 1 200.232 3.033 10 0 BGAEMN CC(C)=C[C@H](N)c1ccc(Br)o1 ZINC000131147192 371563844 /nfs/dbraw/zinc/56/38/44/371563844.db2.gz GGFMWXDBDQYPGV-ZETCQYMHSA-N 0 1 230.105 3.008 10 0 BGAEMN CC(C)=C[C@@H](N)c1ccc(Br)o1 ZINC000131147388 371563707 /nfs/dbraw/zinc/56/37/07/371563707.db2.gz GGFMWXDBDQYPGV-SSDOTTSWSA-N 0 1 230.105 3.008 10 0 BGAEMN Cc1cc(CN2CCS[C@H](C)C2)ccc1F ZINC000131359761 358672515 /nfs/dbraw/zinc/67/25/15/358672515.db2.gz CGEZCMJIRSFNTA-LLVKDONJSA-N 0 1 239.359 3.071 10 0 BGAEMN Cc1cc(C[N@H+]2CCS[C@H](C)C2)ccc1F ZINC000131359761 358672511 /nfs/dbraw/zinc/67/25/11/358672511.db2.gz CGEZCMJIRSFNTA-LLVKDONJSA-N 0 1 239.359 3.071 10 0 BGAEMN Cc1cc(CN2CCS[C@@H](C)C2)ccc1F ZINC000131359991 358672388 /nfs/dbraw/zinc/67/23/88/358672388.db2.gz CGEZCMJIRSFNTA-NSHDSACASA-N 0 1 239.359 3.071 10 0 BGAEMN Cc1cc(C[N@H+]2CCS[C@@H](C)C2)ccc1F ZINC000131359991 358672383 /nfs/dbraw/zinc/67/23/83/358672383.db2.gz CGEZCMJIRSFNTA-NSHDSACASA-N 0 1 239.359 3.071 10 0 BGAEMN Cc1cc(F)ccc1CN1CCS[C@H](C)C1 ZINC000131376383 358672082 /nfs/dbraw/zinc/67/20/82/358672082.db2.gz IKTXOPDPLKLTNG-LLVKDONJSA-N 0 1 239.359 3.071 10 0 BGAEMN Cc1cc(F)ccc1C[N@H+]1CCS[C@H](C)C1 ZINC000131376383 358672080 /nfs/dbraw/zinc/67/20/80/358672080.db2.gz IKTXOPDPLKLTNG-LLVKDONJSA-N 0 1 239.359 3.071 10 0 BGAEMN Cc1cc(F)ccc1CN1CCS[C@@H](C)C1 ZINC000131376568 358672098 /nfs/dbraw/zinc/67/20/98/358672098.db2.gz IKTXOPDPLKLTNG-NSHDSACASA-N 0 1 239.359 3.071 10 0 BGAEMN Cc1cc(F)ccc1C[N@H+]1CCS[C@@H](C)C1 ZINC000131376568 358672092 /nfs/dbraw/zinc/67/20/92/358672092.db2.gz IKTXOPDPLKLTNG-NSHDSACASA-N 0 1 239.359 3.071 10 0 BGAEMN Cc1ccc(CNCc2c(C)cccc2C)nc1 ZINC000132161176 491134580 /nfs/dbraw/zinc/13/45/80/491134580.db2.gz HSMSCIBYASAECZ-UHFFFAOYSA-N 0 1 240.350 3.297 10 0 BGAEMN CC[C@@H](C)C(=O)CN(CC)Cc1ccccc1 ZINC000132987969 371963984 /nfs/dbraw/zinc/96/39/84/371963984.db2.gz UUAKZBDZEODMAK-CYBMUJFWSA-N 0 1 233.355 3.124 10 0 BGAEMN CC[C@H](C)C(=O)CN(CC)Cc1ccccc1 ZINC000132988174 371963602 /nfs/dbraw/zinc/96/36/02/371963602.db2.gz UUAKZBDZEODMAK-ZDUSSCGKSA-N 0 1 233.355 3.124 10 0 BGAEMN S=c1nc(-c2ccc(Cl)c(Cl)c2)[nH]o1 ZINC000133322360 372022388 /nfs/dbraw/zinc/02/23/88/372022388.db2.gz YHMFKVJDQXLBFW-UHFFFAOYSA-N 0 1 247.106 3.332 10 0 BGAEMN Cc1ccc(CNCc2ccc(F)c(C)c2)nc1 ZINC000133697578 491160235 /nfs/dbraw/zinc/16/02/35/491160235.db2.gz XXFZIDBJABXESG-UHFFFAOYSA-N 0 1 244.313 3.127 10 0 BGAEMN CC(C)[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134841320 358807866 /nfs/dbraw/zinc/80/78/66/358807866.db2.gz PSWXTTWZKHPNCO-CQSZACIVSA-N 0 1 249.329 3.271 10 0 BGAEMN CC(C)[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134841344 358808296 /nfs/dbraw/zinc/80/82/96/358808296.db2.gz PSWXTTWZKHPNCO-AWEZNQCLSA-N 0 1 249.329 3.271 10 0 BGAEMN C[C@@H]1CC[C@H](NCc2ncc[nH]2)c2ccccc21 ZINC000136969299 176233633 /nfs/dbraw/zinc/23/36/33/176233633.db2.gz PEWVSMDHAAFEKT-RISCZKNCSA-N 0 1 241.338 3.138 10 0 BGAEMN C[C@H]1CC[C@H](NCc2ncc[nH]2)c2ccccc21 ZINC000136969342 177205407 /nfs/dbraw/zinc/20/54/07/177205407.db2.gz PEWVSMDHAAFEKT-FZMZJTMJSA-N 0 1 241.338 3.138 10 0 BGAEMN C[C@@H]1CC[C@@H](NCc2ncc[nH]2)c2ccccc21 ZINC000136969383 176213237 /nfs/dbraw/zinc/21/32/37/176213237.db2.gz PEWVSMDHAAFEKT-BXUZGUMPSA-N 0 1 241.338 3.138 10 0 BGAEMN C[C@H]1CC[C@@H](NCc2ncc[nH]2)c2ccccc21 ZINC000136969423 177193063 /nfs/dbraw/zinc/19/30/63/177193063.db2.gz PEWVSMDHAAFEKT-SMDDNHRTSA-N 0 1 241.338 3.138 10 0 BGAEMN Cc1cc(N2CCCCC2)c2cccc([O-])c2[nH+]1 ZINC000138641435 342980601 /nfs/dbraw/zinc/98/06/01/342980601.db2.gz KAFXKKXEIVYXAV-UHFFFAOYSA-N 0 1 242.322 3.239 10 0 BGAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2ncc[nH]2)cc1C ZINC000138907048 592320158 /nfs/dbraw/zinc/32/01/58/592320158.db2.gz WZOOIGIMUXUAPA-OLZOCXBDSA-N 0 1 243.354 3.438 10 0 BGAEMN Cc1ccc([C@H](C)N[C@@H](C)c2ncc[nH]2)cc1C ZINC000138907132 592320312 /nfs/dbraw/zinc/32/03/12/592320312.db2.gz WZOOIGIMUXUAPA-STQMWFEESA-N 0 1 243.354 3.438 10 0 BGAEMN Cc1ccc([C@@H](C)N[C@H](C)c2ncc[nH]2)cc1C ZINC000138907213 592320840 /nfs/dbraw/zinc/32/08/40/592320840.db2.gz WZOOIGIMUXUAPA-CHWSQXEVSA-N 0 1 243.354 3.438 10 0 BGAEMN Cc1ccc([C@H](C)N[C@H](C)c2ncc[nH]2)cc1C ZINC000138907297 592320740 /nfs/dbraw/zinc/32/07/40/592320740.db2.gz WZOOIGIMUXUAPA-QWHCGFSZSA-N 0 1 243.354 3.438 10 0 BGAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2ncc[nH]2)c(C)c1 ZINC000138998170 592332878 /nfs/dbraw/zinc/33/28/78/592332878.db2.gz IDIOYXDKPJRLDD-OLZOCXBDSA-N 0 1 243.354 3.438 10 0 BGAEMN Cc1ccc([C@H](C)N[C@@H](C)c2ncc[nH]2)c(C)c1 ZINC000138998289 592332958 /nfs/dbraw/zinc/33/29/58/592332958.db2.gz IDIOYXDKPJRLDD-STQMWFEESA-N 0 1 243.354 3.438 10 0 BGAEMN Cc1ccc([C@@H](C)N[C@H](C)c2ncc[nH]2)c(C)c1 ZINC000138998412 592332493 /nfs/dbraw/zinc/33/24/93/592332493.db2.gz IDIOYXDKPJRLDD-CHWSQXEVSA-N 0 1 243.354 3.438 10 0 BGAEMN Cc1ccc([C@H](C)N[C@H](C)c2ncc[nH]2)c(C)c1 ZINC000138998512 592332223 /nfs/dbraw/zinc/33/22/23/592332223.db2.gz IDIOYXDKPJRLDD-QWHCGFSZSA-N 0 1 243.354 3.438 10 0 BGAEMN CCc1ccccc1-c1cc(C=O)ccc1O ZINC000141307654 345859937 /nfs/dbraw/zinc/85/99/37/345859937.db2.gz DUYNLKPSCMXCOB-UHFFFAOYSA-N 0 1 226.275 3.434 10 0 BGAEMN CC[C@H]1CN(Cc2ccccc2)C[C@H](CC)C1=O ZINC000142131094 388412606 /nfs/dbraw/zinc/41/26/06/388412606.db2.gz WSXGIMFEHBFHAY-GJZGRUSLSA-N 0 1 245.366 3.124 10 0 BGAEMN Cc1[nH]nc2ccc(NC(=O)OC(C)(C)C)cc12 ZINC000142214823 345862407 /nfs/dbraw/zinc/86/24/07/345862407.db2.gz YUQXJNSMFOBAGB-UHFFFAOYSA-N 0 1 247.298 3.218 10 0 BGAEMN CSC(=N)Nc1cccc(C(F)(F)F)c1 ZINC000142974467 345881734 /nfs/dbraw/zinc/88/17/34/345881734.db2.gz OUOYTGARNCFYLW-UHFFFAOYSA-N 0 1 234.246 3.415 10 0 BGAEMN CC[C@@H]1CC(=O)C[C@H](CC)N1Cc1ccccc1 ZINC000143176552 345865660 /nfs/dbraw/zinc/86/56/60/345865660.db2.gz QBPGVHATKOIEEJ-GASCZTMLSA-N 0 1 245.366 3.409 10 0 BGAEMN Oc1ccc(C(F)(F)F)c(O)c1C(F)(F)F ZINC000143924727 386729379 /nfs/dbraw/zinc/72/93/79/386729379.db2.gz JUYLVMOBLHXHSL-UHFFFAOYSA-N 0 1 246.106 3.135 10 0 BGAEMN Oc1ccc(Cl)c(F)c1C(F)(F)F ZINC000144608667 342747647 /nfs/dbraw/zinc/74/76/47/342747647.db2.gz QSMZFWNNNZZGFW-UHFFFAOYSA-N 0 1 214.545 3.204 10 0 BGAEMN CCCCC[N@@H+](C)Cc1cc(C)cc(C(=O)[O-])c1 ZINC000144959069 342756283 /nfs/dbraw/zinc/75/62/83/342756283.db2.gz QFOMBVZBSGPCBP-UHFFFAOYSA-N 0 1 249.354 3.315 10 0 BGAEMN Cc1cc(Cl)c(C)c2c(O)csc21 ZINC000145854066 347389416 /nfs/dbraw/zinc/38/94/16/347389416.db2.gz CHAGSWXQCQQQTL-UHFFFAOYSA-N 0 1 212.701 3.245 10 0 BGAEMN Oc1c(F)c(Br)ccc1C(F)F ZINC000145872318 345214563 /nfs/dbraw/zinc/21/45/63/345214563.db2.gz QDPBAXRGWKBFKY-UHFFFAOYSA-N 0 1 241.006 3.231 10 0 BGAEMN CCOC(=O)C=C(O)CCC1CCCCCC1 ZINC000146088434 342765942 /nfs/dbraw/zinc/76/59/42/342765942.db2.gz LXQYWTIYLANLGA-UHFFFAOYSA-N 0 1 240.343 3.259 10 0 BGAEMN CCO[P@@H](=O)CCCc1ccccc1 ZINC000146209759 343283448 /nfs/dbraw/zinc/28/34/48/343283448.db2.gz KXQRCUFTVPXAQS-UHFFFAOYSA-N 0 1 212.229 3.130 10 0 BGAEMN C[C@@H]1C[C@H](NCC(F)F)CC(C)(C)C1 ZINC000147415088 384451914 /nfs/dbraw/zinc/45/19/14/384451914.db2.gz BTBZVQKKYWUYAY-BDAKNGLRSA-N 0 1 205.292 3.056 10 0 BGAEMN C[C@H]1C[C@H](NCC(F)F)CC(C)(C)C1 ZINC000147415353 177369001 /nfs/dbraw/zinc/36/90/01/177369001.db2.gz BTBZVQKKYWUYAY-IUCAKERBSA-N 0 1 205.292 3.056 10 0 BGAEMN C[C@@H]1C[C@@H](NCC(F)F)CC(C)(C)C1 ZINC000147415566 176374713 /nfs/dbraw/zinc/37/47/13/176374713.db2.gz BTBZVQKKYWUYAY-RKDXNWHRSA-N 0 1 205.292 3.056 10 0 BGAEMN C[C@H]1C[C@@H](NCC(F)F)CC(C)(C)C1 ZINC000147415771 177331515 /nfs/dbraw/zinc/33/15/15/177331515.db2.gz BTBZVQKKYWUYAY-DTWKUNHWSA-N 0 1 205.292 3.056 10 0 BGAEMN Nc1c(Cl)cc(CN2CCCC2)cc1Cl ZINC000148114988 345258187 /nfs/dbraw/zinc/25/81/87/345258187.db2.gz PNTAKCZZUIFKDY-UHFFFAOYSA-N 0 1 245.153 3.171 10 0 BGAEMN CC[C@@H]1CC(=O)C[C@@H](CC)N1Cc1ccccc1 ZINC000148733725 342792640 /nfs/dbraw/zinc/79/26/40/342792640.db2.gz QBPGVHATKOIEEJ-HUUCEWRRSA-N 0 1 245.366 3.409 10 0 BGAEMN CC[C@H]1CC(=O)C[C@H](CC)N1Cc1ccccc1 ZINC000148733939 343395509 /nfs/dbraw/zinc/39/55/09/343395509.db2.gz QBPGVHATKOIEEJ-GJZGRUSLSA-N 0 1 245.366 3.409 10 0 BGAEMN Cc1cc(N)c2ccc(C)c(Cl)c2n1 ZINC000149050947 346535500 /nfs/dbraw/zinc/53/55/00/346535500.db2.gz RZNBIACXDBHGFF-UHFFFAOYSA-N 0 1 206.676 3.087 10 0 BGAEMN CCC[C@]1(c2ccccc2)CC(=O)CC(=O)O1 ZINC000149764304 342793607 /nfs/dbraw/zinc/79/36/07/342793607.db2.gz RRJCHYYXHYUPAM-CQSZACIVSA-N 0 1 232.279 3.071 10 0 BGAEMN CCC[C@@]1(c2ccccc2)CC(=O)CC(=O)O1 ZINC000149764522 343446589 /nfs/dbraw/zinc/44/65/89/343446589.db2.gz RRJCHYYXHYUPAM-AWEZNQCLSA-N 0 1 232.279 3.071 10 0 BGAEMN c1csc([C@@H]2CCCCN2CC2CC2)n1 ZINC000155948814 385422634 /nfs/dbraw/zinc/42/26/34/385422634.db2.gz GGBDZJPDLFIXTN-NSHDSACASA-N 0 1 222.357 3.080 10 0 BGAEMN c1csc([C@H]2CCCCN2CC2CC2)n1 ZINC000155948934 385423384 /nfs/dbraw/zinc/42/33/84/385423384.db2.gz GGBDZJPDLFIXTN-LLVKDONJSA-N 0 1 222.357 3.080 10 0 BGAEMN Cc1cccc(NCCCOCc2ccco2)n1 ZINC000156959947 385027273 /nfs/dbraw/zinc/02/72/73/385027273.db2.gz GSVULOFCTSKRJB-UHFFFAOYSA-N 0 1 246.310 3.002 10 0 BGAEMN O=c1cc(-c2cc(Cl)ccc2Cl)[nH][nH]1 ZINC000157435081 344102339 /nfs/dbraw/zinc/10/23/39/344102339.db2.gz VMWNRVDTQLARQI-UHFFFAOYSA-N 0 1 229.066 3.089 10 0 BGAEMN CCCn1nccc1CN[C@@H](C)c1cccs1 ZINC000159987708 488097340 /nfs/dbraw/zinc/09/73/40/488097340.db2.gz ZWCYGXVRHQRVSR-NSHDSACASA-N 0 1 249.383 3.205 10 0 BGAEMN CCCn1nccc1CN[C@H](C)c1cccs1 ZINC000159987864 488097174 /nfs/dbraw/zinc/09/71/74/488097174.db2.gz ZWCYGXVRHQRVSR-LLVKDONJSA-N 0 1 249.383 3.205 10 0 BGAEMN Cc1cccc([C@@H](C)N[C@@H](C)c2cnccn2)c1 ZINC000160138091 323061203 /nfs/dbraw/zinc/06/12/03/323061203.db2.gz BJZBBRLUTNUCEL-OLZOCXBDSA-N 0 1 241.338 3.197 10 0 BGAEMN Cc1cccc([C@@H](C)N[C@H](C)c2cnccn2)c1 ZINC000160138217 323061199 /nfs/dbraw/zinc/06/11/99/323061199.db2.gz BJZBBRLUTNUCEL-CHWSQXEVSA-N 0 1 241.338 3.197 10 0 BGAEMN Cc1cccnc1CNCc1c(C)cccc1C ZINC000160384174 179383330 /nfs/dbraw/zinc/38/33/30/179383330.db2.gz UYWXQRZTOCVKQU-UHFFFAOYSA-N 0 1 240.350 3.297 10 0 BGAEMN S=C1N=C2CCC3(CCCC3)CC2S1 ZINC000161474292 369118373 /nfs/dbraw/zinc/11/83/73/369118373.db2.gz QEGQNAVLCKBTRX-UHFFFAOYSA-N 0 1 225.382 3.481 10 0 BGAEMN Cc1cc2c(Cl)[nH]nc2c(Cl)c1 ZINC000162971908 346543760 /nfs/dbraw/zinc/54/37/60/346543760.db2.gz YHKPSPGTVFDIED-UHFFFAOYSA-N 0 1 201.056 3.178 10 0 BGAEMN CC1=NC(=S)N(C[C@@H](C)C(C)(C)C)C1 ZINC000163104012 371929548 /nfs/dbraw/zinc/92/95/48/371929548.db2.gz CZWUMWOIEMBEIY-MRVPVSSYSA-N 0 1 212.362 3.162 10 0 BGAEMN CC1=NC(=S)N(C[C@H](C)C(C)(C)C)C1 ZINC000163104097 371928555 /nfs/dbraw/zinc/92/85/55/371928555.db2.gz CZWUMWOIEMBEIY-QMMMGPOBSA-N 0 1 212.362 3.162 10 0 BGAEMN CCC[C@@H]1C[C@@H]1NCc1csc(C2CC2)n1 ZINC000165035099 388250525 /nfs/dbraw/zinc/25/05/25/388250525.db2.gz FQXHCHCYCVBQAA-PWSUYJOCSA-N 0 1 236.384 3.299 10 0 BGAEMN CCC[C@H]1C[C@@H]1NCc1csc(C2CC2)n1 ZINC000165035212 388250073 /nfs/dbraw/zinc/25/00/73/388250073.db2.gz FQXHCHCYCVBQAA-JQWIXIFHSA-N 0 1 236.384 3.299 10 0 BGAEMN CCC[C@@H]1C[C@H]1NCc1csc(C2CC2)n1 ZINC000165035343 535494996 /nfs/dbraw/zinc/49/49/96/535494996.db2.gz FQXHCHCYCVBQAA-ZYHUDNBSSA-N 0 1 236.384 3.299 10 0 BGAEMN CCC[C@H]1C[C@H]1NCc1csc(C2CC2)n1 ZINC000165035459 388250262 /nfs/dbraw/zinc/25/02/62/388250262.db2.gz FQXHCHCYCVBQAA-CMPLNLGQSA-N 0 1 236.384 3.299 10 0 BGAEMN CCC[C@@H]1C[C@H]1NCc1c(F)cccc1F ZINC000165042321 326419088 /nfs/dbraw/zinc/41/90/88/326419088.db2.gz PDFWQNSCWLLQRZ-NOZJJQNGSA-N 0 1 225.282 3.243 10 0 BGAEMN C[C@@H]1CCC[C@H](C)N1N=c1[nH]c(Cl)cs1 ZINC000165081496 342873925 /nfs/dbraw/zinc/87/39/25/342873925.db2.gz DKETWAXBTFSOFB-OCAPTIKFSA-N 0 1 245.779 3.386 10 0 BGAEMN C[C@H]1CCC[C@H](C)N1N=c1[nH]c(Cl)cs1 ZINC000165081624 342874494 /nfs/dbraw/zinc/87/44/94/342874494.db2.gz DKETWAXBTFSOFB-YUMQZZPRSA-N 0 1 245.779 3.386 10 0 BGAEMN C[C@@H]1CCC[C@@H](C)N1N=c1[nH]c(Cl)cs1 ZINC000165081742 342874448 /nfs/dbraw/zinc/87/44/48/342874448.db2.gz DKETWAXBTFSOFB-HTQZYQBOSA-N 0 1 245.779 3.386 10 0 BGAEMN CCN[C@@H](C)c1c(F)cccc1Br ZINC000165175420 342880099 /nfs/dbraw/zinc/88/00/99/342880099.db2.gz ICQDBIIDUGFLEE-ZETCQYMHSA-N 0 1 246.123 3.259 10 0 BGAEMN CCN[C@H](C)c1c(F)cccc1Br ZINC000165175531 342880077 /nfs/dbraw/zinc/88/00/77/342880077.db2.gz ICQDBIIDUGFLEE-SSDOTTSWSA-N 0 1 246.123 3.259 10 0 BGAEMN CC(C)C[C@]1(c2ccccc2)CC(=O)CC(=O)O1 ZINC000166235031 343565074 /nfs/dbraw/zinc/56/50/74/343565074.db2.gz OKLHAGUMPJNRBP-OAHLLOKOSA-N 0 1 246.306 3.317 10 0 BGAEMN CC(C)C[C@@]1(c2ccccc2)CC(=O)CC(=O)O1 ZINC000166235146 343564962 /nfs/dbraw/zinc/56/49/62/343564962.db2.gz OKLHAGUMPJNRBP-HNNXBMFYSA-N 0 1 246.306 3.317 10 0 BGAEMN CC(C)(C)c1ccc([C@@H]2NCCS2)s1 ZINC000166255517 344831768 /nfs/dbraw/zinc/83/17/68/344831768.db2.gz BZMHUEGBSAMKLV-SNVBAGLBSA-N 0 1 227.398 3.381 10 0 BGAEMN CC(C)(C)c1ccc([C@H]2NCCS2)s1 ZINC000166255631 344831975 /nfs/dbraw/zinc/83/19/75/344831975.db2.gz BZMHUEGBSAMKLV-JTQLQIEISA-N 0 1 227.398 3.381 10 0 BGAEMN CCCC[C@]1(c2ccccc2)CC(=O)CC(=O)O1 ZINC000166329134 343468698 /nfs/dbraw/zinc/46/86/98/343468698.db2.gz OKSSEJLEFLROKY-OAHLLOKOSA-N 0 1 246.306 3.461 10 0 BGAEMN CCCC[C@@]1(c2ccccc2)CC(=O)CC(=O)O1 ZINC000166329240 343468563 /nfs/dbraw/zinc/46/85/63/343468563.db2.gz OKSSEJLEFLROKY-HNNXBMFYSA-N 0 1 246.306 3.461 10 0 BGAEMN CN1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000166424345 344895109 /nfs/dbraw/zinc/89/51/09/344895109.db2.gz IWTFXEQIZMUQIB-INIZCTEOSA-N 0 1 241.309 3.403 10 0 BGAEMN CN1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000166424476 344894886 /nfs/dbraw/zinc/89/48/86/344894886.db2.gz IWTFXEQIZMUQIB-MRXNPFEDSA-N 0 1 241.309 3.403 10 0 BGAEMN Cc1ccc(Cl)c2n[nH]c(Br)c21 ZINC000166609479 355727364 /nfs/dbraw/zinc/72/73/64/355727364.db2.gz BGJNZXUUULKBOK-UHFFFAOYSA-N 0 1 245.507 3.287 10 0 BGAEMN CC(C)CC[C@@H](O)CC[N@@H+](C)Cc1ccccc1 ZINC000168164812 345810926 /nfs/dbraw/zinc/81/09/26/345810926.db2.gz DIRCEKPMVXXSLA-MRXNPFEDSA-N 0 1 249.398 3.306 10 0 BGAEMN CC(C)CC[C@H](O)CC[N@@H+](C)Cc1ccccc1 ZINC000168164876 345811022 /nfs/dbraw/zinc/81/10/22/345811022.db2.gz DIRCEKPMVXXSLA-INIZCTEOSA-N 0 1 249.398 3.306 10 0 BGAEMN [NH3+][C@@H](c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000169126117 345838345 /nfs/dbraw/zinc/83/83/45/345838345.db2.gz SPFQYFLIJVIOGP-ZDUSSCGKSA-N 0 1 233.698 3.094 10 0 BGAEMN [NH3+][C@H](c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000169126202 345838618 /nfs/dbraw/zinc/83/86/18/345838618.db2.gz SPFQYFLIJVIOGP-CYBMUJFWSA-N 0 1 233.698 3.094 10 0 BGAEMN CNC(C)(C)C(=O)c1cccc(Cl)c1Cl ZINC000169184750 359700154 /nfs/dbraw/zinc/70/01/54/359700154.db2.gz ROMAWOCTYCCMNB-UHFFFAOYSA-N 0 1 246.137 3.174 10 0 BGAEMN CN1C[C@H]2C[C@@]2(c2ccc(Cl)cc2Cl)C1 ZINC000169709003 173199908 /nfs/dbraw/zinc/19/99/08/173199908.db2.gz NINMSEOZKXYKQY-PRHODGIISA-N 0 1 242.149 3.197 10 0 BGAEMN C[C@@H](c1cccc(F)c1)N1CCS[C@H](C)C1 ZINC000171685693 134259852 /nfs/dbraw/zinc/25/98/52/134259852.db2.gz KWACZZJRPYICEB-MNOVXSKESA-N 0 1 239.359 3.324 10 0 BGAEMN C[C@@H](c1cccc(F)c1)N1CCS[C@@H](C)C1 ZINC000171685696 134260169 /nfs/dbraw/zinc/26/01/69/134260169.db2.gz KWACZZJRPYICEB-QWRGUYRKSA-N 0 1 239.359 3.324 10 0 BGAEMN C[C@@H]1CN(Cc2cccc(Cl)c2)CCS1 ZINC000171685735 134259938 /nfs/dbraw/zinc/25/99/38/134259938.db2.gz ADXVASFZIODYCA-SNVBAGLBSA-N 0 1 241.787 3.277 10 0 BGAEMN C[C@H]1CN(Cc2cccc(Cl)c2)CCS1 ZINC000171685738 134260040 /nfs/dbraw/zinc/26/00/40/134260040.db2.gz ADXVASFZIODYCA-JTQLQIEISA-N 0 1 241.787 3.277 10 0 BGAEMN C[C@@H](c1ccccc1F)N1CCS[C@H](C)C1 ZINC000171690791 134260268 /nfs/dbraw/zinc/26/02/68/134260268.db2.gz VUIJXKSZNSASKF-MNOVXSKESA-N 0 1 239.359 3.324 10 0 BGAEMN C[C@@H](c1ccccc1F)N1CCS[C@@H](C)C1 ZINC000171690795 134259907 /nfs/dbraw/zinc/25/99/07/134259907.db2.gz VUIJXKSZNSASKF-QWRGUYRKSA-N 0 1 239.359 3.324 10 0 BGAEMN C[C@@H]1CN(Cc2ccc(Cl)cc2)CCS1 ZINC000171703011 134260459 /nfs/dbraw/zinc/26/04/59/134260459.db2.gz JBRFCALTXPIXQK-SNVBAGLBSA-N 0 1 241.787 3.277 10 0 BGAEMN C[C@H]1CN(Cc2ccc(Cl)cc2)CCS1 ZINC000171703015 134260728 /nfs/dbraw/zinc/26/07/28/134260728.db2.gz JBRFCALTXPIXQK-JTQLQIEISA-N 0 1 241.787 3.277 10 0 BGAEMN C[C@@H]1CN(Cc2ccccc2Cl)CCS1 ZINC000171703042 134260373 /nfs/dbraw/zinc/26/03/73/134260373.db2.gz USAQKYAPKMLPGW-SNVBAGLBSA-N 0 1 241.787 3.277 10 0 BGAEMN C[C@H]1CN(Cc2ccccc2Cl)CCS1 ZINC000171703045 134260393 /nfs/dbraw/zinc/26/03/93/134260393.db2.gz USAQKYAPKMLPGW-JTQLQIEISA-N 0 1 241.787 3.277 10 0 BGAEMN CC(C)n1ccnc1CN1[C@H](C)CCC[C@@H]1C ZINC000174243099 134279541 /nfs/dbraw/zinc/27/95/41/134279541.db2.gz MYDSPDYFVLCAPP-BETUJISGSA-N 0 1 235.375 3.227 10 0 BGAEMN Cc1ccc(F)cc1CN1CCS[C@@H](C)C1 ZINC000180069546 134326023 /nfs/dbraw/zinc/32/60/23/134326023.db2.gz HRUUQVYBXQRHGS-NSHDSACASA-N 0 1 239.359 3.071 10 0 BGAEMN CC(C)N(Cc1nccn1C(C)C)C(C)C ZINC000180447180 535122900 /nfs/dbraw/zinc/12/29/00/535122900.db2.gz STATUADTPWTEJO-UHFFFAOYSA-N 0 1 223.364 3.083 10 0 BGAEMN CC(C)c1nc([C@H](C)N[C@H]2C[C@H]2C)cs1 ZINC000186318102 385755447 /nfs/dbraw/zinc/75/54/47/385755447.db2.gz KMKONYOFSVRRSG-UTLUCORTSA-N 0 1 224.373 3.326 10 0 BGAEMN CC(C)c1nc([C@H](C)N[C@H]2C[C@@H]2C)cs1 ZINC000186318119 385755147 /nfs/dbraw/zinc/75/51/47/385755147.db2.gz KMKONYOFSVRRSG-GUBZILKMSA-N 0 1 224.373 3.326 10 0 BGAEMN CC(C)c1nc([C@H](C)N[C@@H]2C[C@H]2C)cs1 ZINC000186318133 385755990 /nfs/dbraw/zinc/75/59/90/385755990.db2.gz KMKONYOFSVRRSG-KXUCPTDWSA-N 0 1 224.373 3.326 10 0 BGAEMN CC(C)c1nc([C@H](C)N[C@@H]2C[C@@H]2C)cs1 ZINC000186318153 385754745 /nfs/dbraw/zinc/75/47/45/385754745.db2.gz KMKONYOFSVRRSG-LPEHRKFASA-N 0 1 224.373 3.326 10 0 BGAEMN Cc1ccc([C@H](C)NCc2ccc(C)nc2C)o1 ZINC000187494138 387200301 /nfs/dbraw/zinc/20/03/01/387200301.db2.gz HSXOIPCOYABDQT-ZDUSSCGKSA-N 0 1 244.338 3.451 10 0 BGAEMN Cc1ccc([C@@H](C)NCc2ccc(C)nc2C)o1 ZINC000187494157 134467673 /nfs/dbraw/zinc/46/76/73/134467673.db2.gz HSXOIPCOYABDQT-CYBMUJFWSA-N 0 1 244.338 3.451 10 0 BGAEMN CCC[C@@H](C)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000187686606 259300714 /nfs/dbraw/zinc/30/07/14/259300714.db2.gz CTPREMUTUBNJBU-GFCCVEGCSA-N 0 1 249.402 3.090 10 0 BGAEMN CCC[C@H](C)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000187686626 259300770 /nfs/dbraw/zinc/30/07/70/259300770.db2.gz CTPREMUTUBNJBU-LBPRGKRZSA-N 0 1 249.402 3.090 10 0 BGAEMN Cc1cncc(CN2CCC[C@@H]2c2ccco2)c1 ZINC000189892054 357668778 /nfs/dbraw/zinc/66/87/78/357668778.db2.gz WAZGJINNEBRHHU-CQSZACIVSA-N 0 1 242.322 3.320 10 0 BGAEMN Cc1cncc(CN2CCC[C@H]2c2ccco2)c1 ZINC000189892076 357668714 /nfs/dbraw/zinc/66/87/14/357668714.db2.gz WAZGJINNEBRHHU-AWEZNQCLSA-N 0 1 242.322 3.320 10 0 BGAEMN CCCN1CCCC[C@@H]1c1nccs1 ZINC000195360823 387912052 /nfs/dbraw/zinc/91/20/52/387912052.db2.gz DNJWWPNNKUYEQD-SNVBAGLBSA-N 0 1 210.346 3.080 10 0 BGAEMN CCCN1CCCC[C@H]1c1nccs1 ZINC000195360829 387911625 /nfs/dbraw/zinc/91/16/25/387911625.db2.gz DNJWWPNNKUYEQD-JTQLQIEISA-N 0 1 210.346 3.080 10 0 BGAEMN CCCCN1CCCC[C@@H]1c1nccs1 ZINC000195439676 387916037 /nfs/dbraw/zinc/91/60/37/387916037.db2.gz XTRFSBVYRVUZKU-LLVKDONJSA-N 0 1 224.373 3.470 10 0 BGAEMN CCCCN1CCCC[C@H]1c1nccs1 ZINC000195439684 134840865 /nfs/dbraw/zinc/84/08/65/134840865.db2.gz XTRFSBVYRVUZKU-NSHDSACASA-N 0 1 224.373 3.470 10 0 BGAEMN CCCCc1ccc2nc(N)cc(OC)c2c1 ZINC000196872064 348046584 /nfs/dbraw/zinc/04/65/84/348046584.db2.gz XITCHFRNZDGVQW-UHFFFAOYSA-N 0 1 230.311 3.168 10 0 BGAEMN CN(C)/C=C\C(=S)Nc1ccc(Cl)cc1 ZINC000199109419 644468799 /nfs/dbraw/zinc/46/87/99/644468799.db2.gz GIXLLUTUSKYBHZ-FPLPWBNLSA-N 0 1 240.759 3.155 10 0 BGAEMN FC(F)(F)c1cnc(-c2cccs2)[nH]1 ZINC000203851654 385625848 /nfs/dbraw/zinc/62/58/48/385625848.db2.gz PCRKYINKOWXFSF-UHFFFAOYSA-N 0 1 218.203 3.157 10 0 BGAEMN O=C1CCN([C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000204587607 343572503 /nfs/dbraw/zinc/57/25/03/343572503.db2.gz VQMUYQDCUXEZMF-BFHYXJOUSA-N 0 1 235.371 3.010 10 0 BGAEMN Oc1c(Br)cccc1C(F)F ZINC000215997451 371672977 /nfs/dbraw/zinc/67/29/77/371672977.db2.gz WPYCMCDUOHMHFK-UHFFFAOYSA-N 0 1 223.016 3.092 10 0 BGAEMN Cc1ccccc1-c1c(O)c(C=O)ccc1F ZINC000216207268 342783409 /nfs/dbraw/zinc/78/34/09/342783409.db2.gz MKWDWYYJWZDBET-UHFFFAOYSA-N 0 1 230.238 3.319 10 0 BGAEMN Fc1ccc(Cl)c(F)c1[C@@H]1CCCCN1 ZINC000216640254 356473709 /nfs/dbraw/zinc/47/37/09/356473709.db2.gz MCUMCJVCAMMSPO-VIFPVBQESA-N 0 1 231.673 3.433 10 0 BGAEMN Clc1ccc([C@H]2NCCc3occc32)cc1 ZINC000216830371 538116593 /nfs/dbraw/zinc/11/65/93/538116593.db2.gz LVLBZHRZXZYZLG-CYBMUJFWSA-N 0 1 233.698 3.168 10 0 BGAEMN Clc1ccc([C@@H]2NCCc3occc32)cc1 ZINC000216830400 538116730 /nfs/dbraw/zinc/11/67/30/538116730.db2.gz LVLBZHRZXZYZLG-ZDUSSCGKSA-N 0 1 233.698 3.168 10 0 BGAEMN Clc1cccc([C@H]2NCCc3occc32)c1 ZINC000216830448 538116719 /nfs/dbraw/zinc/11/67/19/538116719.db2.gz QMEDHWFAHOUXGF-CYBMUJFWSA-N 0 1 233.698 3.168 10 0 BGAEMN Clc1cccc([C@@H]2NCCc3occc32)c1 ZINC000216830475 538116756 /nfs/dbraw/zinc/11/67/56/538116756.db2.gz QMEDHWFAHOUXGF-ZDUSSCGKSA-N 0 1 233.698 3.168 10 0 BGAEMN Oc1cc(F)c(Br)cc1C(F)F ZINC000217127877 357047819 /nfs/dbraw/zinc/04/78/19/357047819.db2.gz WMWPRRRUIAHREF-UHFFFAOYSA-N 0 1 241.006 3.231 10 0 BGAEMN CC(C)CC1(CC(C)C)CC(=O)CC(=O)O1 ZINC000218286226 350088203 /nfs/dbraw/zinc/08/82/03/350088203.db2.gz PGJIMJVFDJRLJD-UHFFFAOYSA-N 0 1 226.316 3.206 10 0 BGAEMN O=Cc1ccc(-c2ccc(F)cc2)c(F)c1O ZINC000218350172 344231249 /nfs/dbraw/zinc/23/12/49/344231249.db2.gz VTAPLNMJCQPFKQ-UHFFFAOYSA-N 0 1 234.201 3.150 10 0 BGAEMN CN1CCc2ccc(Cl)c(Cl)c2CC1 ZINC000219049429 344257463 /nfs/dbraw/zinc/25/74/63/344257463.db2.gz CYJZGHCZLYCBRP-UHFFFAOYSA-N 0 1 230.138 3.024 10 0 BGAEMN Oc1ccc(Cl)c(Br)c1Cl ZINC000219967629 343575782 /nfs/dbraw/zinc/57/57/82/343575782.db2.gz XALMHSKPBWNOBD-UHFFFAOYSA-N 0 1 241.899 3.462 10 0 BGAEMN Cc1ccc(Br)c2[nH]c(Cl)nc21 ZINC000220833739 344599937 /nfs/dbraw/zinc/59/99/37/344599937.db2.gz QFFBVKNAOWYYNS-UHFFFAOYSA-N 0 1 245.507 3.287 10 0 BGAEMN Cc1cnc([C@@H](C)NCC2CCCCC2)o1 ZINC000220879906 134316456 /nfs/dbraw/zinc/31/64/56/134316456.db2.gz OSLMYPHTNHLRHJ-LLVKDONJSA-N 0 1 222.332 3.214 10 0 BGAEMN Cc1cnc([C@H](C)NCC2CCCCC2)o1 ZINC000220879978 134316787 /nfs/dbraw/zinc/31/67/87/134316787.db2.gz OSLMYPHTNHLRHJ-NSHDSACASA-N 0 1 222.332 3.214 10 0 BGAEMN Cc1cnc([C@@H](C)NCCCc2ccccc2)o1 ZINC000220882449 134316363 /nfs/dbraw/zinc/31/63/63/134316363.db2.gz KXWSCFZUPBNNOI-CYBMUJFWSA-N 0 1 244.338 3.266 10 0 BGAEMN Cc1cnc([C@H](C)NCCCc2ccccc2)o1 ZINC000220882514 134316672 /nfs/dbraw/zinc/31/66/72/134316672.db2.gz KXWSCFZUPBNNOI-ZDUSSCGKSA-N 0 1 244.338 3.266 10 0 BGAEMN Cc1cnc([C@@H](C)NC2CCC(C)CC2)o1 ZINC000220884231 134316733 /nfs/dbraw/zinc/31/67/33/134316733.db2.gz PKWKKGHCDKYBNQ-CKBZRRDASA-N 0 1 222.332 3.212 10 0 BGAEMN Cc1cnc([C@H](C)NC2CCC(C)CC2)o1 ZINC000220884283 134316569 /nfs/dbraw/zinc/31/65/69/134316569.db2.gz PKWKKGHCDKYBNQ-ZYXZCXLHSA-N 0 1 222.332 3.212 10 0 BGAEMN Cc1cnc([C@@H](C)NC[C@@H](C)c2ccccc2)o1 ZINC000220891363 134313148 /nfs/dbraw/zinc/31/31/48/134313148.db2.gz WXHKVROXLIAZQG-DGCLKSJQSA-N 0 1 244.338 3.437 10 0 BGAEMN Cc1cnc([C@H](C)NC[C@@H](C)c2ccccc2)o1 ZINC000220891432 134313428 /nfs/dbraw/zinc/31/34/28/134313428.db2.gz WXHKVROXLIAZQG-YPMHNXCESA-N 0 1 244.338 3.437 10 0 BGAEMN Cc1cnc([C@@H](C)NC[C@H](C)c2ccccc2)o1 ZINC000220891492 134313216 /nfs/dbraw/zinc/31/32/16/134313216.db2.gz WXHKVROXLIAZQG-WCQYABFASA-N 0 1 244.338 3.437 10 0 BGAEMN Cc1cnc([C@H](C)NC[C@H](C)c2ccccc2)o1 ZINC000220891554 134313245 /nfs/dbraw/zinc/31/32/45/134313245.db2.gz WXHKVROXLIAZQG-AAEUAGOBSA-N 0 1 244.338 3.437 10 0 BGAEMN Cc1cnc([C@@H](C)NCCCC(C)C)o1 ZINC000220903394 134315025 /nfs/dbraw/zinc/31/50/25/134315025.db2.gz ISLCVZCPDXQEOC-LLVKDONJSA-N 0 1 210.321 3.070 10 0 BGAEMN Cc1cnc([C@H](C)NCCCC(C)C)o1 ZINC000220903453 134315328 /nfs/dbraw/zinc/31/53/28/134315328.db2.gz ISLCVZCPDXQEOC-NSHDSACASA-N 0 1 210.321 3.070 10 0 BGAEMN Cc1cnc([C@H](C)NC[C@@H]2CCC[C@@H](C)C2)o1 ZINC000220917948 134315354 /nfs/dbraw/zinc/31/53/54/134315354.db2.gz ZBMCZQIADGOZCS-KGYLQXTDSA-N 0 1 236.359 3.460 10 0 BGAEMN Cc1cnc([C@H](C)NC[C@H]2CCC[C@@H](C)C2)o1 ZINC000220918080 134315108 /nfs/dbraw/zinc/31/51/08/134315108.db2.gz ZBMCZQIADGOZCS-WXHSDQCUSA-N 0 1 236.359 3.460 10 0 BGAEMN Cc1cnc([C@@H](C)NCC2CCC(C)CC2)o1 ZINC000220918157 134315031 /nfs/dbraw/zinc/31/50/31/134315031.db2.gz SZVGSLWILVXGLI-YXMLORGKSA-N 0 1 236.359 3.460 10 0 BGAEMN Cc1cnc([C@H](C)NCC2CCC(C)CC2)o1 ZINC000220918224 134314902 /nfs/dbraw/zinc/31/49/02/134314902.db2.gz SZVGSLWILVXGLI-YDGIUTOCSA-N 0 1 236.359 3.460 10 0 BGAEMN Cc1cnc([C@@H](C)N[C@@H](C)CC(C)C)o1 ZINC000220956548 134314979 /nfs/dbraw/zinc/31/49/79/134314979.db2.gz ZIKCTTJCXPLYTI-GXSJLCMTSA-N 0 1 210.321 3.068 10 0 BGAEMN Cc1cnc([C@H](C)N[C@@H](C)CC(C)C)o1 ZINC000220956603 134314965 /nfs/dbraw/zinc/31/49/65/134314965.db2.gz ZIKCTTJCXPLYTI-ONGXEEELSA-N 0 1 210.321 3.068 10 0 BGAEMN Cc1cnc([C@@H](C)N[C@H](C)CC(C)C)o1 ZINC000220956651 134315377 /nfs/dbraw/zinc/31/53/77/134315377.db2.gz ZIKCTTJCXPLYTI-MWLCHTKSSA-N 0 1 210.321 3.068 10 0 BGAEMN Cc1cnc([C@H](C)N[C@H](C)CC(C)C)o1 ZINC000220956706 134315273 /nfs/dbraw/zinc/31/52/73/134315273.db2.gz ZIKCTTJCXPLYTI-KOLCDFICSA-N 0 1 210.321 3.068 10 0 BGAEMN Cc1cnc([C@@H](C)N[C@@H]2CCC(C)(C)C2)o1 ZINC000220959159 134315007 /nfs/dbraw/zinc/31/50/07/134315007.db2.gz VNHMHAAQSCOSCN-GHMZBOCLSA-N 0 1 222.332 3.212 10 0 BGAEMN Cc1cnc([C@H](C)N[C@@H]2CCC(C)(C)C2)o1 ZINC000220959213 134314912 /nfs/dbraw/zinc/31/49/12/134314912.db2.gz VNHMHAAQSCOSCN-WDEREUQCSA-N 0 1 222.332 3.212 10 0 BGAEMN Cc1cnc([C@@H](C)N[C@H]2CCC(C)(C)C2)o1 ZINC000220959280 134315233 /nfs/dbraw/zinc/31/52/33/134315233.db2.gz VNHMHAAQSCOSCN-MNOVXSKESA-N 0 1 222.332 3.212 10 0 BGAEMN Cc1cnc([C@H](C)N[C@H]2CCC(C)(C)C2)o1 ZINC000220959343 134314967 /nfs/dbraw/zinc/31/49/67/134314967.db2.gz VNHMHAAQSCOSCN-QWRGUYRKSA-N 0 1 222.332 3.212 10 0 BGAEMN CC(C)n1cc(CN[C@H](C)c2cccs2)cn1 ZINC000221012744 398115306 /nfs/dbraw/zinc/11/53/06/398115306.db2.gz VPONCBQHSSCWBJ-LLVKDONJSA-N 0 1 249.383 3.376 10 0 BGAEMN C[C@@H](NCc1cncc(F)c1)c1cccs1 ZINC000221015839 398114959 /nfs/dbraw/zinc/11/49/59/398114959.db2.gz ZGIQOPUPEIOZCF-SECBINFHSA-N 0 1 236.315 3.133 10 0 BGAEMN CN[C@@H](C)c1c(Cl)cccc1Br ZINC000222033079 350001028 /nfs/dbraw/zinc/00/10/28/350001028.db2.gz ILDBTCRKVWBPKE-LURJTMIESA-N 0 1 248.551 3.383 10 0 BGAEMN CN[C@H](C)c1c(Cl)cccc1Br ZINC000222033133 350229397 /nfs/dbraw/zinc/22/93/97/350229397.db2.gz ILDBTCRKVWBPKE-ZCFIWIBFSA-N 0 1 248.551 3.383 10 0 BGAEMN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1csc(C)n1 ZINC000222155735 388613415 /nfs/dbraw/zinc/61/34/15/388613415.db2.gz AZXPXIKPQKPHMK-GDPRMGEGSA-N 0 1 224.373 3.291 10 0 BGAEMN CCC[C@@H]1C[C@H]1N[C@@H](C)c1csc(C)n1 ZINC000222155840 388614089 /nfs/dbraw/zinc/61/40/89/388614089.db2.gz AZXPXIKPQKPHMK-JMJZKYOTSA-N 0 1 224.373 3.291 10 0 BGAEMN Cc1ccc([C@@H](C)NCc2ccno2)c(C)c1 ZINC000223643090 387936252 /nfs/dbraw/zinc/93/62/52/387936252.db2.gz RRQPEOLXYZMEHF-GFCCVEGCSA-N 0 1 230.311 3.142 10 0 BGAEMN Cc1ccc([C@H](C)NCc2ccno2)c(C)c1 ZINC000223643136 387936653 /nfs/dbraw/zinc/93/66/53/387936653.db2.gz RRQPEOLXYZMEHF-LBPRGKRZSA-N 0 1 230.311 3.142 10 0 BGAEMN Cc1ccc([C@@H](C)NCc2ccno2)cc1C ZINC000223649622 386092703 /nfs/dbraw/zinc/09/27/03/386092703.db2.gz YAKJFQJZIIZIFX-GFCCVEGCSA-N 0 1 230.311 3.142 10 0 BGAEMN Cc1ccc([C@H](C)NCc2ccno2)cc1C ZINC000223649685 386092729 /nfs/dbraw/zinc/09/27/29/386092729.db2.gz YAKJFQJZIIZIFX-LBPRGKRZSA-N 0 1 230.311 3.142 10 0 BGAEMN Cc1ccc([C@@H](C)NCc2ccc(O)c(F)c2)o1 ZINC000223775016 592543538 /nfs/dbraw/zinc/54/35/38/592543538.db2.gz CHNNBPOQONUVBL-SNVBAGLBSA-N 0 1 249.285 3.284 10 0 BGAEMN Cc1ccc([C@H](C)NCc2ccc(O)c(F)c2)o1 ZINC000223775064 592543660 /nfs/dbraw/zinc/54/36/60/592543660.db2.gz CHNNBPOQONUVBL-JTQLQIEISA-N 0 1 249.285 3.284 10 0 BGAEMN CO[C@@H]1CCCCCN1Cc1ccccc1 ZINC000225169734 369054979 /nfs/dbraw/zinc/05/49/79/369054979.db2.gz NIEUBHHTNMTRFM-CQSZACIVSA-N 0 1 219.328 3.035 10 0 BGAEMN CO[C@H]1CCCCCN1Cc1ccccc1 ZINC000225169771 369054875 /nfs/dbraw/zinc/05/48/75/369054875.db2.gz NIEUBHHTNMTRFM-AWEZNQCLSA-N 0 1 219.328 3.035 10 0 BGAEMN CCC[C@@H]1C[C@@H]1NCc1ncc(Cl)s1 ZINC000225362038 134354794 /nfs/dbraw/zinc/35/47/94/134354794.db2.gz DRWYLTHYAAFHAN-SFYZADRCSA-N 0 1 230.764 3.075 10 0 BGAEMN CCC[C@H]1C[C@@H]1NCc1ncc(Cl)s1 ZINC000225362071 134354941 /nfs/dbraw/zinc/35/49/41/134354941.db2.gz DRWYLTHYAAFHAN-YUMQZZPRSA-N 0 1 230.764 3.075 10 0 BGAEMN CCC[C@@H]1C[C@H]1NCc1ncc(Cl)s1 ZINC000225362107 535494961 /nfs/dbraw/zinc/49/49/61/535494961.db2.gz DRWYLTHYAAFHAN-HTQZYQBOSA-N 0 1 230.764 3.075 10 0 BGAEMN CCC[C@H]1C[C@H]1NCc1ncc(Cl)s1 ZINC000225362141 134355114 /nfs/dbraw/zinc/35/51/14/134355114.db2.gz DRWYLTHYAAFHAN-JGVFFNPUSA-N 0 1 230.764 3.075 10 0 BGAEMN c1ncc([C@H]2C=C3CCCC[C@H]3CC2)[nH]1 ZINC000225953161 385634317 /nfs/dbraw/zinc/63/43/17/385634317.db2.gz CUJYXBDKBVNGET-CMPLNLGQSA-N 0 1 202.301 3.404 10 0 BGAEMN c1ncc([C@@H]2C=C3CCCC[C@H]3CC2)[nH]1 ZINC000225953171 350391821 /nfs/dbraw/zinc/39/18/21/350391821.db2.gz CUJYXBDKBVNGET-JQWIXIFHSA-N 0 1 202.301 3.404 10 0 BGAEMN c1ncc([C@H]2C=C3CCCC[C@@H]3CC2)[nH]1 ZINC000225953177 385634785 /nfs/dbraw/zinc/63/47/85/385634785.db2.gz CUJYXBDKBVNGET-ZYHUDNBSSA-N 0 1 202.301 3.404 10 0 BGAEMN c1ncc([C@@H]2C=C3CCCC[C@@H]3CC2)[nH]1 ZINC000225953188 385634497 /nfs/dbraw/zinc/63/44/97/385634497.db2.gz CUJYXBDKBVNGET-PWSUYJOCSA-N 0 1 202.301 3.404 10 0 BGAEMN CC(C)n1cc(CN[C@@H](C)c2cccs2)cn1 ZINC000226238348 386239423 /nfs/dbraw/zinc/23/94/23/386239423.db2.gz VPONCBQHSSCWBJ-NSHDSACASA-N 0 1 249.383 3.376 10 0 BGAEMN C[C@@H]1CCC[C@@H]1c1nc(C2(N)CCCCC2)no1 ZINC000226694008 176133076 /nfs/dbraw/zinc/13/30/76/176133076.db2.gz HXSXPSIWDVBOAR-MNOVXSKESA-N 0 1 249.358 3.091 10 0 BGAEMN C[C@H]1CCC[C@@H]1c1nc(C2(N)CCCCC2)no1 ZINC000226694012 177127541 /nfs/dbraw/zinc/12/75/41/177127541.db2.gz HXSXPSIWDVBOAR-QWRGUYRKSA-N 0 1 249.358 3.091 10 0 BGAEMN C[C@@H]1CCC[C@H]1c1nc(C2(N)CCCCC2)no1 ZINC000226694017 176151412 /nfs/dbraw/zinc/15/14/12/176151412.db2.gz HXSXPSIWDVBOAR-GHMZBOCLSA-N 0 1 249.358 3.091 10 0 BGAEMN C[C@H]1CCC[C@H]1c1nc(C2(N)CCCCC2)no1 ZINC000226694024 177143076 /nfs/dbraw/zinc/14/30/76/177143076.db2.gz HXSXPSIWDVBOAR-WDEREUQCSA-N 0 1 249.358 3.091 10 0 BGAEMN NC1(C(=O)c2ccc(Cl)c(Cl)c2)CCC1 ZINC000226780675 371743214 /nfs/dbraw/zinc/74/32/14/371743214.db2.gz TZVHKSMHGXAFHU-UHFFFAOYSA-N 0 1 244.121 3.058 10 0 BGAEMN C[C@@H](N[C@@H]1CCc2cccnc21)c1cccs1 ZINC000226802397 640798135 /nfs/dbraw/zinc/79/81/35/640798135.db2.gz OJYVDGUHUIPSGN-ZYHUDNBSSA-N 0 1 244.363 3.481 10 0 BGAEMN C[C@H](N[C@@H]1CCc2cccnc21)c1cccs1 ZINC000226802407 635441329 /nfs/dbraw/zinc/44/13/29/635441329.db2.gz OJYVDGUHUIPSGN-CMPLNLGQSA-N 0 1 244.363 3.481 10 0 BGAEMN C[C@@H](N[C@H]1CCc2cccnc21)c1cccs1 ZINC000226802415 635439596 /nfs/dbraw/zinc/43/95/96/635439596.db2.gz OJYVDGUHUIPSGN-PWSUYJOCSA-N 0 1 244.363 3.481 10 0 BGAEMN C[C@H](N[C@H]1CCc2cccnc21)c1cccs1 ZINC000226802426 640798229 /nfs/dbraw/zinc/79/82/29/640798229.db2.gz OJYVDGUHUIPSGN-JQWIXIFHSA-N 0 1 244.363 3.481 10 0 BGAEMN CCN[C@]1(C(F)F)CC[C@@H](C)[C@@H](C)C1 ZINC000227031334 371772615 /nfs/dbraw/zinc/77/26/15/371772615.db2.gz UNEYZSBVHXNHRY-WCABBAIRSA-N 0 1 205.292 3.056 10 0 BGAEMN CCN[C@]1(C(F)F)CC[C@H](C)[C@@H](C)C1 ZINC000227031353 371772594 /nfs/dbraw/zinc/77/25/94/371772594.db2.gz UNEYZSBVHXNHRY-ATZCPNFKSA-N 0 1 205.292 3.056 10 0 BGAEMN CCC[C@@H](C)CN[C@@H](C)c1ncc(C)o1 ZINC000227555395 134383368 /nfs/dbraw/zinc/38/33/68/134383368.db2.gz RUZTZDHWFNRWNR-KOLCDFICSA-N 0 1 210.321 3.070 10 0 BGAEMN CCC[C@H](C)CN[C@@H](C)c1ncc(C)o1 ZINC000227555400 134383531 /nfs/dbraw/zinc/38/35/31/134383531.db2.gz RUZTZDHWFNRWNR-ONGXEEELSA-N 0 1 210.321 3.070 10 0 BGAEMN CCC[C@@H](C)CN[C@H](C)c1ncc(C)o1 ZINC000227555403 134383514 /nfs/dbraw/zinc/38/35/14/134383514.db2.gz RUZTZDHWFNRWNR-MWLCHTKSSA-N 0 1 210.321 3.070 10 0 BGAEMN CCC[C@H](C)CN[C@H](C)c1ncc(C)o1 ZINC000227555404 134383313 /nfs/dbraw/zinc/38/33/13/134383313.db2.gz RUZTZDHWFNRWNR-GXSJLCMTSA-N 0 1 210.321 3.070 10 0 BGAEMN CC[C@@H]1CC[C@@H](N[C@@H](C)c2ncc(C)o2)C1 ZINC000227555597 134383241 /nfs/dbraw/zinc/38/32/41/134383241.db2.gz SILAGCWXQGFXTF-QJPTWQEYSA-N 0 1 222.332 3.212 10 0 BGAEMN CC[C@@H]1CC[C@H](N[C@@H](C)c2ncc(C)o2)C1 ZINC000227555610 134383234 /nfs/dbraw/zinc/38/32/34/134383234.db2.gz SILAGCWXQGFXTF-TUAOUCFPSA-N 0 1 222.332 3.212 10 0 BGAEMN Cc1cnc([C@H](C)N[C@@H]2CCC[C@@H](C)C2)o1 ZINC000227556592 134383507 /nfs/dbraw/zinc/38/35/07/134383507.db2.gz PRZKJKQWUADPJZ-ADEWGFFLSA-N 0 1 222.332 3.212 10 0 BGAEMN Cc1cnc([C@H](C)N[C@H]2CCC[C@@H](C)C2)o1 ZINC000227556600 134383039 /nfs/dbraw/zinc/38/30/39/134383039.db2.gz PRZKJKQWUADPJZ-USWWRNFRSA-N 0 1 222.332 3.212 10 0 BGAEMN Cc1occc1[C@@H](N)c1ccsc1C ZINC000227803848 371941390 /nfs/dbraw/zinc/94/13/90/371941390.db2.gz CMLQZEDCDMCBRT-LLVKDONJSA-N 0 1 207.298 3.006 10 0 BGAEMN Cc1occc1[C@H](N)c1ccsc1C ZINC000227803853 371941968 /nfs/dbraw/zinc/94/19/68/371941968.db2.gz CMLQZEDCDMCBRT-NSHDSACASA-N 0 1 207.298 3.006 10 0 BGAEMN C[C@@H](NC1CCCCCCC1)C(F)F ZINC000228479306 372032433 /nfs/dbraw/zinc/03/24/33/372032433.db2.gz YGKRJXNTRSKECN-SECBINFHSA-N 0 1 205.292 3.343 10 0 BGAEMN C[C@H](NC1CCCCCCC1)C(F)F ZINC000228479311 372032800 /nfs/dbraw/zinc/03/28/00/372032800.db2.gz YGKRJXNTRSKECN-VIFPVBQESA-N 0 1 205.292 3.343 10 0 BGAEMN CC1(NCc2c(F)cccc2Cl)CC1 ZINC000228834224 351417968 /nfs/dbraw/zinc/41/79/68/351417968.db2.gz VRDVHXVFVAEAFR-UHFFFAOYSA-N 0 1 213.683 3.121 10 0 BGAEMN C[C@H](N[C@H]1C[C@@H]1c1ccccc1)c1cscn1 ZINC000229126913 632523022 /nfs/dbraw/zinc/52/30/22/632523022.db2.gz UVTTZZKLAJOVSW-UHTWSYAYSA-N 0 1 244.363 3.350 10 0 BGAEMN Cc1ccc([C@@H](C)NCc2ccncc2C)o1 ZINC000229657658 385651161 /nfs/dbraw/zinc/65/11/61/385651161.db2.gz XNPGXXIAHQHONO-GFCCVEGCSA-N 0 1 230.311 3.142 10 0 BGAEMN Cc1ccc([C@H](C)NCc2ccncc2C)o1 ZINC000229657669 385651445 /nfs/dbraw/zinc/65/14/45/385651445.db2.gz XNPGXXIAHQHONO-LBPRGKRZSA-N 0 1 230.311 3.142 10 0 BGAEMN NCc1ccc(-c2sccc2Cl)o1 ZINC000229946959 342858319 /nfs/dbraw/zinc/85/83/19/342858319.db2.gz VUBVIOHNKJBNMA-UHFFFAOYSA-N 0 1 213.689 3.120 10 0 BGAEMN NC1(C(=O)c2sccc2Cl)CCCCC1 ZINC000229956247 342860230 /nfs/dbraw/zinc/86/02/30/342860230.db2.gz VOHMEDQAZGAJPR-UHFFFAOYSA-N 0 1 243.759 3.246 10 0 BGAEMN C[C@H](NCc1cncc(F)c1)c1cccs1 ZINC000230405883 385735016 /nfs/dbraw/zinc/73/50/16/385735016.db2.gz ZGIQOPUPEIOZCF-VIFPVBQESA-N 0 1 236.315 3.133 10 0 BGAEMN Cc1ccccc1-c1cc(C=O)ccc1O ZINC000230508956 350603597 /nfs/dbraw/zinc/60/35/97/350603597.db2.gz BSFRXLCFGBOOOC-UHFFFAOYSA-N 0 1 212.248 3.180 10 0 BGAEMN Cc1cnc([C@@H](C)NCCC(C)(C)C)o1 ZINC000230645445 363315670 /nfs/dbraw/zinc/31/56/70/363315670.db2.gz JZXLJZCPEPPWPS-SNVBAGLBSA-N 0 1 210.321 3.070 10 0 BGAEMN Cc1cnc([C@H](C)NCCC(C)(C)C)o1 ZINC000230645452 363316129 /nfs/dbraw/zinc/31/61/29/363316129.db2.gz JZXLJZCPEPPWPS-JTQLQIEISA-N 0 1 210.321 3.070 10 0 BGAEMN CCCCCCN[C@@H](C)c1ncc(C)o1 ZINC000230645523 644525461 /nfs/dbraw/zinc/52/54/61/644525461.db2.gz SMZUWUAZPTYVIP-NSHDSACASA-N 0 1 210.321 3.214 10 0 BGAEMN CCCCCCN[C@H](C)c1ncc(C)o1 ZINC000230645530 641076366 /nfs/dbraw/zinc/07/63/66/641076366.db2.gz SMZUWUAZPTYVIP-LLVKDONJSA-N 0 1 210.321 3.214 10 0 BGAEMN Cc1cnc([C@H](C)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)o1 ZINC000230696938 357568532 /nfs/dbraw/zinc/56/85/32/357568532.db2.gz NAUHKNICLAQXJY-RSLMWUCJSA-N 0 1 236.359 3.458 10 0 BGAEMN Cc1cccc([C@H](C)NCc2cncc(F)c2)c1 ZINC000230942296 259650599 /nfs/dbraw/zinc/65/05/99/259650599.db2.gz WIXYDRMHAIQICY-LBPRGKRZSA-N 0 1 244.313 3.380 10 0 BGAEMN CCC(CC)CN[C@@H](C)c1ncc(C)o1 ZINC000231528978 363344818 /nfs/dbraw/zinc/34/48/18/363344818.db2.gz XXQRXUMELHYZKJ-JTQLQIEISA-N 0 1 210.321 3.070 10 0 BGAEMN CCC(CC)CN[C@H](C)c1ncc(C)o1 ZINC000231528998 363344015 /nfs/dbraw/zinc/34/40/15/363344015.db2.gz XXQRXUMELHYZKJ-SNVBAGLBSA-N 0 1 210.321 3.070 10 0 BGAEMN N=C1CCCN1c1cc(F)ccc1Cl ZINC000231821318 385728204 /nfs/dbraw/zinc/72/82/04/385728204.db2.gz QVXKSWBXDABFKG-UHFFFAOYSA-N 0 1 212.655 3.057 10 0 BGAEMN Cc1cnc([C@@H](C)N[C@@H](C)CCC(C)C)o1 ZINC000231900950 357639830 /nfs/dbraw/zinc/63/98/30/357639830.db2.gz XOCLAKVJUYAHFQ-CMPLNLGQSA-N 0 1 224.348 3.458 10 0 BGAEMN Cc1cnc([C@H](C)N[C@@H](C)CCC(C)C)o1 ZINC000231900951 357639873 /nfs/dbraw/zinc/63/98/73/357639873.db2.gz XOCLAKVJUYAHFQ-JQWIXIFHSA-N 0 1 224.348 3.458 10 0 BGAEMN Cc1cnc([C@@H](C)N[C@H](C)CCC(C)C)o1 ZINC000231900955 488117568 /nfs/dbraw/zinc/11/75/68/488117568.db2.gz XOCLAKVJUYAHFQ-ZYHUDNBSSA-N 0 1 224.348 3.458 10 0 BGAEMN Cc1cnc([C@H](C)N[C@H](C)CCC(C)C)o1 ZINC000231900959 357639821 /nfs/dbraw/zinc/63/98/21/357639821.db2.gz XOCLAKVJUYAHFQ-PWSUYJOCSA-N 0 1 224.348 3.458 10 0 BGAEMN Cc1cnc([C@@H](C)N[C@@H](C)CC2CCC2)o1 ZINC000231900978 538107779 /nfs/dbraw/zinc/10/77/79/538107779.db2.gz KOOACUHOOZVHQK-GXSJLCMTSA-N 0 1 222.332 3.212 10 0 BGAEMN Cc1cnc([C@H](C)N[C@@H](C)CC2CCC2)o1 ZINC000231900981 538107834 /nfs/dbraw/zinc/10/78/34/538107834.db2.gz KOOACUHOOZVHQK-ONGXEEELSA-N 0 1 222.332 3.212 10 0 BGAEMN Cc1cnc([C@@H](C)N[C@H](C)CC2CCC2)o1 ZINC000231900985 538107621 /nfs/dbraw/zinc/10/76/21/538107621.db2.gz KOOACUHOOZVHQK-MWLCHTKSSA-N 0 1 222.332 3.212 10 0 BGAEMN Cc1cnc([C@H](C)N[C@H](C)CC2CCC2)o1 ZINC000231900988 538107629 /nfs/dbraw/zinc/10/76/29/538107629.db2.gz KOOACUHOOZVHQK-KOLCDFICSA-N 0 1 222.332 3.212 10 0 BGAEMN Cc1cnc([C@@H](C)N[C@@H](C)CCc2ccco2)o1 ZINC000231901028 538107706 /nfs/dbraw/zinc/10/77/06/538107706.db2.gz JWCXRNVWOJBBKF-CMPLNLGQSA-N 0 1 248.326 3.248 10 0 BGAEMN Cc1cnc([C@H](C)N[C@@H](C)CCc2ccco2)o1 ZINC000231901031 538107916 /nfs/dbraw/zinc/10/79/16/538107916.db2.gz JWCXRNVWOJBBKF-JQWIXIFHSA-N 0 1 248.326 3.248 10 0 BGAEMN Cc1cnc([C@@H](C)N[C@H](C)CCc2ccco2)o1 ZINC000231901033 538107633 /nfs/dbraw/zinc/10/76/33/538107633.db2.gz JWCXRNVWOJBBKF-ZYHUDNBSSA-N 0 1 248.326 3.248 10 0 BGAEMN Cc1cnc([C@H](C)N[C@H](C)CCc2ccco2)o1 ZINC000231901036 538107756 /nfs/dbraw/zinc/10/77/56/538107756.db2.gz JWCXRNVWOJBBKF-PWSUYJOCSA-N 0 1 248.326 3.248 10 0 BGAEMN CCCC[C@@H](C)N[C@@H](C)c1ncc(C)o1 ZINC000231901089 363357182 /nfs/dbraw/zinc/35/71/82/363357182.db2.gz BSILZEHTFQSONW-KOLCDFICSA-N 0 1 210.321 3.212 10 0 BGAEMN CCCC[C@H](C)N[C@@H](C)c1ncc(C)o1 ZINC000231901093 363357695 /nfs/dbraw/zinc/35/76/95/363357695.db2.gz BSILZEHTFQSONW-ONGXEEELSA-N 0 1 210.321 3.212 10 0 BGAEMN CCCC[C@@H](C)N[C@H](C)c1ncc(C)o1 ZINC000231901095 363357008 /nfs/dbraw/zinc/35/70/08/363357008.db2.gz BSILZEHTFQSONW-MWLCHTKSSA-N 0 1 210.321 3.212 10 0 BGAEMN CCCC[C@H](C)N[C@H](C)c1ncc(C)o1 ZINC000231901098 363357099 /nfs/dbraw/zinc/35/70/99/363357099.db2.gz BSILZEHTFQSONW-GXSJLCMTSA-N 0 1 210.321 3.212 10 0 BGAEMN Cc1ccc(Cl)c(NC2=NCCC2)c1 ZINC000232242392 352575951 /nfs/dbraw/zinc/57/59/51/352575951.db2.gz LZUQGAFYFNWCBE-UHFFFAOYSA-N 0 1 208.692 3.253 10 0 BGAEMN Oc1c(Cl)cc(NC2CC2)cc1Cl ZINC000232394774 352649240 /nfs/dbraw/zinc/64/92/40/352649240.db2.gz VBBSDHYTZLINRP-UHFFFAOYSA-N 0 1 218.083 3.273 10 0 BGAEMN Cc1cnc([C@H](C)NC2CC(C(C)C)C2)o1 ZINC000232538828 357670485 /nfs/dbraw/zinc/67/04/85/357670485.db2.gz REUFRDPKQNVTCI-UNXYVOJBSA-N 0 1 222.332 3.068 10 0 BGAEMN Cc1cnc([C@@H](C)NC2CC(C(C)C)C2)o1 ZINC000232539657 357670227 /nfs/dbraw/zinc/67/02/27/357670227.db2.gz REUFRDPKQNVTCI-VOMCLLRMSA-N 0 1 222.332 3.068 10 0 BGAEMN CC(C)[C@@H]1CCNc2nc(C(C)(C)C)cn21 ZINC000232691313 541504799 /nfs/dbraw/zinc/50/47/99/541504799.db2.gz FPEXPKUMADJZAJ-JTQLQIEISA-N 0 1 221.348 3.193 10 0 BGAEMN CC(C)[C@@H]1CCn2cc(C(C)(C)C)nc2N1 ZINC000232691991 583205571 /nfs/dbraw/zinc/20/55/71/583205571.db2.gz ZOVAUAFIBPAZNJ-JTQLQIEISA-N 0 1 221.348 3.021 10 0 BGAEMN CC(C)[C@H]1CCNc2nc(C(C)(C)C)cn21 ZINC000232743015 541507073 /nfs/dbraw/zinc/50/70/73/541507073.db2.gz FPEXPKUMADJZAJ-SNVBAGLBSA-N 0 1 221.348 3.193 10 0 BGAEMN CC(C)[C@H]1CCn2cc(C(C)(C)C)nc2N1 ZINC000232750980 541506708 /nfs/dbraw/zinc/50/67/08/541506708.db2.gz ZOVAUAFIBPAZNJ-SNVBAGLBSA-N 0 1 221.348 3.021 10 0 BGAEMN CCC1CCC(NCc2ncc(C)o2)CC1 ZINC000232914413 541374654 /nfs/dbraw/zinc/37/46/54/541374654.db2.gz SBBMSKDVAFFEFQ-UHFFFAOYSA-N 0 1 222.332 3.041 10 0 BGAEMN CCC1(CN2CC(C)=NC2=S)CCC1 ZINC000233036025 355320446 /nfs/dbraw/zinc/32/04/46/355320446.db2.gz VIPMAMRHTQYPNV-UHFFFAOYSA-N 0 1 210.346 3.061 10 0 BGAEMN CCN[C@@]1(C(F)F)CC(C)(C)C[C@@H]1C ZINC000233626611 353830223 /nfs/dbraw/zinc/83/02/23/353830223.db2.gz OMOIBCUOKRLRFJ-KWQFWETISA-N 0 1 205.292 3.056 10 0 BGAEMN CCN[C@@]1(C(F)F)CC(C)(C)C[C@H]1C ZINC000233626625 342874964 /nfs/dbraw/zinc/87/49/64/342874964.db2.gz OMOIBCUOKRLRFJ-KCJUWKMLSA-N 0 1 205.292 3.056 10 0 BGAEMN CCN[C@]1(C(F)F)CC(C)(C)C[C@@H]1C ZINC000233627516 342875108 /nfs/dbraw/zinc/87/51/08/342875108.db2.gz OMOIBCUOKRLRFJ-GZMMTYOYSA-N 0 1 205.292 3.056 10 0 BGAEMN CCN[C@]1(C(F)F)CC(C)(C)C[C@H]1C ZINC000233627528 342875175 /nfs/dbraw/zinc/87/51/75/342875175.db2.gz OMOIBCUOKRLRFJ-LDYMZIIASA-N 0 1 205.292 3.056 10 0 BGAEMN CC[C@@H]1[C@@H](C)CNc2nc(C(C)(C)C)cn21 ZINC000233929063 541510237 /nfs/dbraw/zinc/51/02/37/541510237.db2.gz BAGLTBSYGXOROP-VHSXEESVSA-N 0 1 221.348 3.193 10 0 BGAEMN CC[C@@H]1[C@H](C)CNc2nc(C(C)(C)C)cn21 ZINC000233930750 541509550 /nfs/dbraw/zinc/50/95/50/541509550.db2.gz BAGLTBSYGXOROP-NXEZZACHSA-N 0 1 221.348 3.193 10 0 BGAEMN CC[C@@H]1Nc2nc(C(C)(C)C)cn2C[C@@H]1C ZINC000233952078 541509947 /nfs/dbraw/zinc/50/99/47/541509947.db2.gz RTOVNXCCQVZLGQ-UWVGGRQHSA-N 0 1 221.348 3.021 10 0 BGAEMN CC[C@@H]1Nc2nc(C(C)(C)C)cn2C[C@H]1C ZINC000233952087 541510101 /nfs/dbraw/zinc/51/01/01/541510101.db2.gz RTOVNXCCQVZLGQ-ZJUUUORDSA-N 0 1 221.348 3.021 10 0 BGAEMN CC[C@H]1[C@@H](C)CNc2nc(C(C)(C)C)cn21 ZINC000234078867 541510801 /nfs/dbraw/zinc/51/08/01/541510801.db2.gz BAGLTBSYGXOROP-UWVGGRQHSA-N 0 1 221.348 3.193 10 0 BGAEMN CC[C@H]1Nc2nc(C(C)(C)C)cn2C[C@@H]1C ZINC000234082112 541510952 /nfs/dbraw/zinc/51/09/52/541510952.db2.gz RTOVNXCCQVZLGQ-VHSXEESVSA-N 0 1 221.348 3.021 10 0 BGAEMN CC[C@H]1Nc2nc(C(C)(C)C)cn2C[C@H]1C ZINC000234082126 541511469 /nfs/dbraw/zinc/51/14/69/541511469.db2.gz RTOVNXCCQVZLGQ-NXEZZACHSA-N 0 1 221.348 3.021 10 0 BGAEMN CC[C@H]1[C@H](C)CNc2nc(C(C)(C)C)cn21 ZINC000234082787 541511414 /nfs/dbraw/zinc/51/14/14/541511414.db2.gz BAGLTBSYGXOROP-ZJUUUORDSA-N 0 1 221.348 3.193 10 0 BGAEMN CN[C@H](c1ccc(Cl)o1)C1=CCCC1 ZINC000234416187 343964335 /nfs/dbraw/zinc/96/43/35/343964335.db2.gz ZYTBYMNJVITAET-NSHDSACASA-N 0 1 211.692 3.304 10 0 BGAEMN CN[C@@H](c1cccs1)c1ccoc1Cl ZINC000234424473 343965819 /nfs/dbraw/zinc/96/58/19/343965819.db2.gz KTRSSXCCMKZFKQ-SECBINFHSA-N 0 1 227.716 3.303 10 0 BGAEMN CN[C@H](c1cccs1)c1ccoc1Cl ZINC000234493456 384191477 /nfs/dbraw/zinc/19/14/77/384191477.db2.gz KTRSSXCCMKZFKQ-VIFPVBQESA-N 0 1 227.716 3.303 10 0 BGAEMN Cc1cccc([C@@H](C)NCc2cncc(F)c2)c1 ZINC000235189107 388366211 /nfs/dbraw/zinc/36/62/11/388366211.db2.gz WIXYDRMHAIQICY-GFCCVEGCSA-N 0 1 244.313 3.380 10 0 BGAEMN Cc1cc(Cl)ccc1[C@@H]1NC[C@@H](C)S1 ZINC000235355867 344893548 /nfs/dbraw/zinc/89/35/48/344893548.db2.gz KFTQYQXOXYTQFX-LDYMZIIASA-N 0 1 227.760 3.372 10 0 BGAEMN C[C@@H]1CSC[C@@H](c2csc(Cl)c2)N1 ZINC000235356591 344893632 /nfs/dbraw/zinc/89/36/32/344893632.db2.gz JVBAIASESUTVCM-SVRRBLITSA-N 0 1 233.789 3.168 10 0 BGAEMN C[C@@H]1CSC[C@H](c2csc(Cl)c2)N1 ZINC000235356837 343962583 /nfs/dbraw/zinc/96/25/83/343962583.db2.gz JVBAIASESUTVCM-HTRCEHHLSA-N 0 1 233.789 3.168 10 0 BGAEMN Cc1cc(Cl)ccc1[C@H]1NC[C@@H](C)S1 ZINC000235373515 344897357 /nfs/dbraw/zinc/89/73/57/344897357.db2.gz KFTQYQXOXYTQFX-KCJUWKMLSA-N 0 1 227.760 3.372 10 0 BGAEMN Cc1cc(Cl)ccc1[C@@H]1NC[C@H](C)S1 ZINC000235657040 344972482 /nfs/dbraw/zinc/97/24/82/344972482.db2.gz KFTQYQXOXYTQFX-GZMMTYOYSA-N 0 1 227.760 3.372 10 0 BGAEMN C[C@H]1CSC[C@@H](c2csc(Cl)c2)N1 ZINC000235670370 344975182 /nfs/dbraw/zinc/97/51/82/344975182.db2.gz JVBAIASESUTVCM-XPUUQOCRSA-N 0 1 233.789 3.168 10 0 BGAEMN Cc1cc(Cl)ccc1[C@H]1NC[C@H](C)S1 ZINC000235686149 345171681 /nfs/dbraw/zinc/17/16/81/345171681.db2.gz KFTQYQXOXYTQFX-KWQFWETISA-N 0 1 227.760 3.372 10 0 BGAEMN Cc1ccsc1[C@@H](N)c1ccoc1Cl ZINC000235791718 345904966 /nfs/dbraw/zinc/90/49/66/345904966.db2.gz CPRCTEUAVFCSNA-QMMMGPOBSA-N 0 1 227.716 3.351 10 0 BGAEMN Cc1ccsc1[C@H](N)c1ccoc1Cl ZINC000235809610 345915695 /nfs/dbraw/zinc/91/56/95/345915695.db2.gz CPRCTEUAVFCSNA-MRVPVSSYSA-N 0 1 227.716 3.351 10 0 BGAEMN Cc1sccc1[C@@H](N)c1ccoc1Cl ZINC000235813087 345924667 /nfs/dbraw/zinc/92/46/67/345924667.db2.gz UOQDPHMVKCONPW-SECBINFHSA-N 0 1 227.716 3.351 10 0 BGAEMN Cc1sccc1[C@H](N)c1ccoc1Cl ZINC000235819248 345925423 /nfs/dbraw/zinc/92/54/23/345925423.db2.gz UOQDPHMVKCONPW-VIFPVBQESA-N 0 1 227.716 3.351 10 0 BGAEMN Cc1ccc(CNCc2ccccn2)cc1Cl ZINC000235891850 537905376 /nfs/dbraw/zinc/90/53/76/537905376.db2.gz XZRLBCLQZCAIFD-UHFFFAOYSA-N 0 1 246.741 3.333 10 0 BGAEMN Cc1nnc(-c2cc(Cl)sc2Cl)[nH]1 ZINC000235931748 346171268 /nfs/dbraw/zinc/17/12/68/346171268.db2.gz TXRVUFWPEUTOBW-UHFFFAOYSA-N 0 1 234.111 3.148 10 0 BGAEMN Cc1csc([C@@H](N)c2ccoc2)c1Cl ZINC000235940874 346173464 /nfs/dbraw/zinc/17/34/64/346173464.db2.gz PDLMTQGBNPWCES-VIFPVBQESA-N 0 1 227.716 3.351 10 0 BGAEMN Cc1csc([C@H](N)c2ccoc2)c1Cl ZINC000235952784 346175138 /nfs/dbraw/zinc/17/51/38/346175138.db2.gz PDLMTQGBNPWCES-SECBINFHSA-N 0 1 227.716 3.351 10 0 BGAEMN Cc1cn2c(n1)N[C@H](c1sccc1C)CC2 ZINC000236044428 582636719 /nfs/dbraw/zinc/63/67/19/582636719.db2.gz WGRGQOVRBRHVKH-JTQLQIEISA-N 0 1 233.340 3.118 10 0 BGAEMN Cc1cn2c(n1)N[C@@H](c1sccc1C)CC2 ZINC000236044915 582637285 /nfs/dbraw/zinc/63/72/85/582637285.db2.gz WGRGQOVRBRHVKH-SNVBAGLBSA-N 0 1 233.340 3.118 10 0 BGAEMN Cc1cn2c(n1)NCC[C@@H]2C1CCCCC1 ZINC000236045275 582637172 /nfs/dbraw/zinc/63/71/72/582637172.db2.gz VBBLENIJASPTEY-GFCCVEGCSA-N 0 1 219.332 3.129 10 0 BGAEMN Cc1cn2c(n1)NCC[C@H]2C1CCCCC1 ZINC000236046135 583210786 /nfs/dbraw/zinc/21/07/86/583210786.db2.gz VBBLENIJASPTEY-LBPRGKRZSA-N 0 1 219.332 3.129 10 0 BGAEMN Fc1ccc(-c2coc(=S)[nH]2)c(Cl)c1 ZINC000236176547 346205178 /nfs/dbraw/zinc/20/51/78/346205178.db2.gz JOBUHUDAUUHIJB-UHFFFAOYSA-N 0 1 229.663 3.423 10 0 BGAEMN NCc1coc(-c2cc(Cl)sc2Cl)n1 ZINC000236261291 346217822 /nfs/dbraw/zinc/21/78/22/346217822.db2.gz MZASKMIDSKILTB-UHFFFAOYSA-N 0 1 249.122 3.169 10 0 BGAEMN N[C@@H](c1ccsc1)c1ccoc1Cl ZINC000236289025 346220966 /nfs/dbraw/zinc/22/09/66/346220966.db2.gz VZPGTVLCDGHOMM-QMMMGPOBSA-N 0 1 213.689 3.043 10 0 BGAEMN N[C@@H](c1cccs1)c1ccoc1Cl ZINC000236317459 346224761 /nfs/dbraw/zinc/22/47/61/346224761.db2.gz ZWIZOKBGBZWRMJ-MRVPVSSYSA-N 0 1 213.689 3.043 10 0 BGAEMN N[C@H](c1cccs1)c1ccoc1Cl ZINC000236329871 346226136 /nfs/dbraw/zinc/22/61/36/346226136.db2.gz ZWIZOKBGBZWRMJ-QMMMGPOBSA-N 0 1 213.689 3.043 10 0 BGAEMN N[C@H](c1ccsc1)c1ccoc1Cl ZINC000236332768 344356264 /nfs/dbraw/zinc/35/62/64/344356264.db2.gz VZPGTVLCDGHOMM-MRVPVSSYSA-N 0 1 213.689 3.043 10 0 BGAEMN Nc1c(NCc2ccccc2)ccc2cnccc21 ZINC000236355137 346228858 /nfs/dbraw/zinc/22/88/58/346228858.db2.gz MMLOKIDBGHGENJ-UHFFFAOYSA-N 0 1 249.317 3.429 10 0 BGAEMN S=C1N=C(c2ccc(Cl)s2)CO1 ZINC000236574569 346251256 /nfs/dbraw/zinc/25/12/56/346251256.db2.gz JHBYRRBPFSSNSU-UHFFFAOYSA-N 0 1 217.702 3.345 10 0 BGAEMN S=C1N=C2c3ccccc3SCC2O1 ZINC000236574820 346251616 /nfs/dbraw/zinc/25/16/16/346251616.db2.gz WRWZNMTUDSWIQY-UHFFFAOYSA-N 0 1 221.306 3.236 10 0 BGAEMN S=c1[nH]c(-c2ccccc2Cl)co1 ZINC000236575635 346252202 /nfs/dbraw/zinc/25/22/02/346252202.db2.gz BTSNSTZUXRXNTE-UHFFFAOYSA-N 0 1 211.673 3.284 10 0 BGAEMN S=c1[nH]c(-c2csc(Cl)c2)co1 ZINC000236577988 346251882 /nfs/dbraw/zinc/25/18/82/346251882.db2.gz OMXROKDVXVNDEM-UHFFFAOYSA-N 0 1 217.702 3.345 10 0 BGAEMN O=c1cc(-c2cc(Cl)sc2Cl)[nH][nH]1 ZINC000236620602 346261536 /nfs/dbraw/zinc/26/15/36/346261536.db2.gz HXVCKOJJHQRHMM-UHFFFAOYSA-N 0 1 235.095 3.151 10 0 BGAEMN O=c1cc(-c2cccc(Cl)c2Cl)[nH][nH]1 ZINC000236621041 385197346 /nfs/dbraw/zinc/19/73/46/385197346.db2.gz NJUUCCYTOIVRLY-UHFFFAOYSA-N 0 1 229.066 3.089 10 0 BGAEMN O=c1cc(-c2cccc(Cl)c2Cl)[nH]o1 ZINC000236621085 385198977 /nfs/dbraw/zinc/19/89/77/385198977.db2.gz CVRVUHVPECIIOA-UHFFFAOYSA-N 0 1 230.050 3.354 10 0 BGAEMN S=c1[nH]cnc2c(Cl)ccc(Cl)c12 ZINC000236642430 346277692 /nfs/dbraw/zinc/27/76/92/346277692.db2.gz SNZSYUAYKJDVQY-UHFFFAOYSA-N 0 1 231.107 3.225 10 0 BGAEMN CC(C)(C)[C@@H]([NH3+])c1ccc([O-])c(Cl)c1 ZINC000238141054 711604787 /nfs/dbraw/zinc/60/47/87/711604787.db2.gz YFBFSBICAJPMKP-JTQLQIEISA-N 0 1 213.708 3.092 10 0 BGAEMN CC(C)(C)[C@H]([NH3+])c1ccc([O-])c(Cl)c1 ZINC000238174721 642792660 /nfs/dbraw/zinc/79/26/60/642792660.db2.gz YFBFSBICAJPMKP-SNVBAGLBSA-N 0 1 213.708 3.092 10 0 BGAEMN Cc1cc(Br)cc2[nH]c(Cl)nc21 ZINC000238463962 361086453 /nfs/dbraw/zinc/08/64/53/361086453.db2.gz UNMYOQCXTJFGRC-UHFFFAOYSA-N 0 1 245.507 3.287 10 0 BGAEMN Cc1cc(N)c(Nc2ccccc2)nc1C ZINC000238471281 361098135 /nfs/dbraw/zinc/09/81/35/361098135.db2.gz DZADRTAMYJXIOT-UHFFFAOYSA-N 0 1 213.284 3.024 10 0 BGAEMN Cc1cnc(NCc2ccccc2)c(C)c1 ZINC000238483773 345057701 /nfs/dbraw/zinc/05/77/01/345057701.db2.gz XRSKRFULXCLSOI-UHFFFAOYSA-N 0 1 212.296 3.311 10 0 BGAEMN Cc1cc2nc(Cl)[nH]c2cc1Br ZINC000238517726 345065898 /nfs/dbraw/zinc/06/58/98/345065898.db2.gz HMMXONZPJZCBEX-UHFFFAOYSA-N 0 1 245.507 3.287 10 0 BGAEMN N[C@@H](CF)c1c(Cl)ccc(Cl)c1F ZINC000238571674 345080559 /nfs/dbraw/zinc/08/05/59/345080559.db2.gz OZYJKQRDXILHEW-LURJTMIESA-N 0 1 226.053 3.102 10 0 BGAEMN N[C@@H](CF)c1c(F)ccc(Cl)c1Cl ZINC000238571838 361157749 /nfs/dbraw/zinc/15/77/49/361157749.db2.gz DZGQDRIEZVWJEV-LURJTMIESA-N 0 1 226.053 3.102 10 0 BGAEMN FC(F)(F)c1cccc2c(Cl)[nH]nc21 ZINC000238574225 361156853 /nfs/dbraw/zinc/15/68/53/361156853.db2.gz ZSVXXKIBOCSPGX-UHFFFAOYSA-N 0 1 220.581 3.235 10 0 BGAEMN NCc1cc(-c2ccc(Cl)cc2)co1 ZINC000238617627 345094571 /nfs/dbraw/zinc/09/45/71/345094571.db2.gz AGXNHXAYXLPLJI-UHFFFAOYSA-N 0 1 207.660 3.059 10 0 BGAEMN FC(F)c1nc2cccc(Br)c2[nH]1 ZINC000238662697 345104800 /nfs/dbraw/zinc/10/48/00/345104800.db2.gz LZZHDVMHXCUXFA-UHFFFAOYSA-N 0 1 247.042 3.263 10 0 BGAEMN N[C@H](CF)c1c(Cl)ccc(Cl)c1F ZINC000238683274 345109081 /nfs/dbraw/zinc/10/90/81/345109081.db2.gz OZYJKQRDXILHEW-ZCFIWIBFSA-N 0 1 226.053 3.102 10 0 BGAEMN N[C@H](CF)c1c(F)ccc(Cl)c1Cl ZINC000238683374 345109034 /nfs/dbraw/zinc/10/90/34/345109034.db2.gz DZGQDRIEZVWJEV-ZCFIWIBFSA-N 0 1 226.053 3.102 10 0 BGAEMN Oc1cc(Cl)c(Cl)cc1-c1ccno1 ZINC000238689975 183256926 /nfs/dbraw/zinc/25/69/26/183256926.db2.gz JOVQJIQJDUPCPD-UHFFFAOYSA-N 0 1 230.050 3.354 10 0 BGAEMN O=Cc1ccc(O)c(-c2ccc(F)cc2)c1 ZINC000238714778 343258086 /nfs/dbraw/zinc/25/80/86/343258086.db2.gz ONJGCFMPUYUZSU-UHFFFAOYSA-N 0 1 216.211 3.011 10 0 BGAEMN C[C@H](c1cccc(F)c1)N1CCS[C@H](C)C1 ZINC000246120366 388012564 /nfs/dbraw/zinc/01/25/64/388012564.db2.gz KWACZZJRPYICEB-GHMZBOCLSA-N 0 1 239.359 3.324 10 0 BGAEMN C[C@H](c1cccc(F)c1)N1CCS[C@@H](C)C1 ZINC000246120369 388012422 /nfs/dbraw/zinc/01/24/22/388012422.db2.gz KWACZZJRPYICEB-WDEREUQCSA-N 0 1 239.359 3.324 10 0 BGAEMN C[C@H](c1ccccc1F)N1CCS[C@H](C)C1 ZINC000246186919 388018064 /nfs/dbraw/zinc/01/80/64/388018064.db2.gz VUIJXKSZNSASKF-GHMZBOCLSA-N 0 1 239.359 3.324 10 0 BGAEMN C[C@H](c1ccccc1F)N1CCS[C@@H](C)C1 ZINC000246186927 388018917 /nfs/dbraw/zinc/01/89/17/388018917.db2.gz VUIJXKSZNSASKF-WDEREUQCSA-N 0 1 239.359 3.324 10 0 BGAEMN CCCc1noc([C@@H]2CC[C@@H]3CCCC[C@H]3N2)n1 ZINC000249719921 635693386 /nfs/dbraw/zinc/69/33/86/635693386.db2.gz DGJWMQNGRHUCGP-TUAOUCFPSA-N 0 1 249.358 3.005 10 0 BGAEMN CCCc1noc([C@@H]2CC[C@H]3CCCC[C@H]3N2)n1 ZINC000249719925 644734486 /nfs/dbraw/zinc/73/44/86/644734486.db2.gz DGJWMQNGRHUCGP-UTUOFQBUSA-N 0 1 249.358 3.005 10 0 BGAEMN C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H](C)CC1 ZINC000249839973 388733955 /nfs/dbraw/zinc/73/39/55/388733955.db2.gz VUTQQHKVCLKMND-GHMZBOCLSA-N 0 1 249.358 3.130 10 0 BGAEMN C[C@@H]1C[C@H]1N[C@H](c1ccccc1)c1ccccn1 ZINC000249882012 386853633 /nfs/dbraw/zinc/85/36/33/386853633.db2.gz NSGJTFWPPZBLTO-DAXOMENPSA-N 0 1 238.334 3.169 10 0 BGAEMN C[C@@H]1C[C@@H]1N[C@H](c1ccccc1)c1ccccn1 ZINC000249882017 386852586 /nfs/dbraw/zinc/85/25/86/386852586.db2.gz NSGJTFWPPZBLTO-UHOFOFEASA-N 0 1 238.334 3.169 10 0 BGAEMN CCN[C@]1(C(F)F)CC[C@@H](C)C[C@H]1C ZINC000250598976 362811749 /nfs/dbraw/zinc/81/17/49/362811749.db2.gz DQSYLZXCFFBMSZ-FXPVBKGRSA-N 0 1 205.292 3.056 10 0 BGAEMN CCN[C@]1(C(F)F)CC[C@H](C)C[C@H]1C ZINC000250598977 362811837 /nfs/dbraw/zinc/81/18/37/362811837.db2.gz DQSYLZXCFFBMSZ-IQJOONFLSA-N 0 1 205.292 3.056 10 0 BGAEMN CCN[C@]1(C(F)F)C[C@H](C)CC[C@H]1C ZINC000250602672 362812490 /nfs/dbraw/zinc/81/24/90/362812490.db2.gz FPATWEPYLCHFQH-FXPVBKGRSA-N 0 1 205.292 3.056 10 0 BGAEMN CCN[C@]1(C(F)F)C[C@@H](C)CC[C@H]1C ZINC000250602674 362812401 /nfs/dbraw/zinc/81/24/01/362812401.db2.gz FPATWEPYLCHFQH-IQJOONFLSA-N 0 1 205.292 3.056 10 0 BGAEMN CCN[C@@]1(C(F)F)C[C@H](C)C[C@H](C)C1 ZINC000250634535 362814671 /nfs/dbraw/zinc/81/46/71/362814671.db2.gz LXTSMLBJBQBADG-JZYVYDRUSA-N 0 1 205.292 3.056 10 0 BGAEMN C[C@H](N[C@H]1C[C@H]1c1ccccc1)c1cscn1 ZINC000252960780 636776955 /nfs/dbraw/zinc/77/69/55/636776955.db2.gz UVTTZZKLAJOVSW-DRZSPHRISA-N 0 1 244.363 3.350 10 0 BGAEMN C[C@H](N[C@@H]1C[C@H]1c1ccccc1)c1cscn1 ZINC000252960781 636778149 /nfs/dbraw/zinc/77/81/49/636778149.db2.gz UVTTZZKLAJOVSW-WCFLWFBJSA-N 0 1 244.363 3.350 10 0 BGAEMN CC1=NC(=S)N([C@H]2CC[C@H](C)CC2)C1 ZINC000253110876 368506498 /nfs/dbraw/zinc/50/64/98/368506498.db2.gz DEJNVJDHDCSIOR-CZMCAQCFSA-N 0 1 210.346 3.231 10 0 BGAEMN Cc1cc2[nH]c(=S)n(C3CCCC3)c(=O)c2[nH]1 ZINC000253534721 178300047 /nfs/dbraw/zinc/30/00/47/178300047.db2.gz IEDRYUKNHVIBDZ-UHFFFAOYSA-N 0 1 249.339 3.223 10 0 BGAEMN Cl/C=C\CN1CCC[C@H]1c1ccco1 ZINC000255759374 632721273 /nfs/dbraw/zinc/72/12/73/632721273.db2.gz RDKXZNOAJGTANN-NWPZZWLHSA-N 0 1 211.692 3.169 10 0 BGAEMN Cl/C=C\CN1CCC[C@@H]1c1ccco1 ZINC000255759377 632721559 /nfs/dbraw/zinc/72/15/59/632721559.db2.gz RDKXZNOAJGTANN-XICOKMJESA-N 0 1 211.692 3.169 10 0 BGAEMN c1nc([C@@H]2CCCCN2)oc1Cc1ccccc1 ZINC000258916952 384695574 /nfs/dbraw/zinc/69/55/74/384695574.db2.gz PFPDJUWGSKFMKX-AWEZNQCLSA-N 0 1 242.322 3.080 10 0 BGAEMN c1nc([C@H]2CCCCN2)oc1Cc1ccccc1 ZINC000258916964 384697066 /nfs/dbraw/zinc/69/70/66/384697066.db2.gz PFPDJUWGSKFMKX-CQSZACIVSA-N 0 1 242.322 3.080 10 0 BGAEMN CNC(C)(C)C(=O)c1ccc(Cl)cc1Cl ZINC000259149049 385666632 /nfs/dbraw/zinc/66/66/32/385666632.db2.gz KUWDDEVJPIZADJ-UHFFFAOYSA-N 0 1 246.137 3.174 10 0 BGAEMN Cc1[nH]nc2cc(Br)cc(Cl)c12 ZINC000261508630 386029120 /nfs/dbraw/zinc/02/91/20/386029120.db2.gz VKLPJAOQNULKKE-UHFFFAOYSA-N 0 1 245.507 3.287 10 0 BGAEMN CCCC1(c2nc(C3(N)CCCCC3)no2)CC1 ZINC000261569544 135211440 /nfs/dbraw/zinc/21/14/40/135211440.db2.gz JZDZEZCJONBIHF-UHFFFAOYSA-N 0 1 249.358 3.019 10 0 BGAEMN CC(C)CN[C@H](Cc1ccccc1)C(F)F ZINC000271302361 167013150 /nfs/dbraw/zinc/01/31/50/167013150.db2.gz UWCTYLJLXREOGY-GFCCVEGCSA-N 0 1 227.298 3.108 10 0 BGAEMN CC(C)CN[C@@H](Cc1ccccc1)C(F)F ZINC000271302363 167011619 /nfs/dbraw/zinc/01/16/19/167011619.db2.gz UWCTYLJLXREOGY-LBPRGKRZSA-N 0 1 227.298 3.108 10 0 BGAEMN CCC[C@@H]1C[C@H]1N[C@H](C)c1csc(C)n1 ZINC000271424509 389019382 /nfs/dbraw/zinc/01/93/82/389019382.db2.gz AZXPXIKPQKPHMK-FBIMIBRVSA-N 0 1 224.373 3.291 10 0 BGAEMN CCC[C@@H]1C[C@@H]1N[C@H](C)c1csc(C)n1 ZINC000271424510 389019748 /nfs/dbraw/zinc/01/97/48/389019748.db2.gz AZXPXIKPQKPHMK-IEBDPFPHSA-N 0 1 224.373 3.291 10 0 BGAEMN CC(C)n1nccc1CN[C@H](C)c1cccs1 ZINC000280084340 385254335 /nfs/dbraw/zinc/25/43/35/385254335.db2.gz YRPUTKGRRLWQJX-LLVKDONJSA-N 0 1 249.383 3.376 10 0 BGAEMN CC(C)n1nccc1CN[C@@H](C)c1cccs1 ZINC000280084344 385255404 /nfs/dbraw/zinc/25/54/04/385255404.db2.gz YRPUTKGRRLWQJX-NSHDSACASA-N 0 1 249.383 3.376 10 0 BGAEMN Cc1cccc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000281846794 179147857 /nfs/dbraw/zinc/14/78/57/179147857.db2.gz LSMRKKRSBXNGPK-CLLJXQQHSA-N 0 1 234.343 3.006 10 0 BGAEMN Cc1cccc(NCC2C[C@H](C)O[C@@H](C)C2)n1 ZINC000281846798 179143339 /nfs/dbraw/zinc/14/33/39/179143339.db2.gz LSMRKKRSBXNGPK-RYUDHWBXSA-N 0 1 234.343 3.006 10 0 BGAEMN Cc1cccc(NCC2C[C@@H](C)O[C@H](C)C2)n1 ZINC000281846801 179143936 /nfs/dbraw/zinc/14/39/36/179143936.db2.gz LSMRKKRSBXNGPK-VXGBXAGGSA-N 0 1 234.343 3.006 10 0 BGAEMN Cc1cc([C@@H](C)NC2CC(F)(F)C2)oc1C ZINC000281914824 178223379 /nfs/dbraw/zinc/22/33/79/178223379.db2.gz AEIZKLSEJNSEPF-MRVPVSSYSA-N 0 1 229.270 3.345 10 0 BGAEMN Cc1cc([C@H](C)NC2CC(F)(F)C2)oc1C ZINC000281914828 178245510 /nfs/dbraw/zinc/24/55/10/178245510.db2.gz AEIZKLSEJNSEPF-QMMMGPOBSA-N 0 1 229.270 3.345 10 0 BGAEMN Cc1c[nH]nc1CN[C@@H](C)c1cccc(Cl)c1 ZINC000284132912 398077280 /nfs/dbraw/zinc/07/72/80/398077280.db2.gz SBCOYUGORUPKSY-JTQLQIEISA-N 0 1 249.745 3.222 10 0 BGAEMN Cc1c[nH]nc1CN[C@H](C)c1ccc(C)c(C)c1 ZINC000289748758 386350414 /nfs/dbraw/zinc/35/04/14/386350414.db2.gz FGNFMKROQZULAX-CYBMUJFWSA-N 0 1 243.354 3.186 10 0 BGAEMN Cc1c[nH]nc1CN[C@@H](C)c1ccc(C)c(C)c1 ZINC000289748764 386349070 /nfs/dbraw/zinc/34/90/70/386349070.db2.gz FGNFMKROQZULAX-ZDUSSCGKSA-N 0 1 243.354 3.186 10 0 BGAEMN Cc1c[nH]nc1CN[C@H](C)c1ccc(C)cc1C ZINC000289872108 386365273 /nfs/dbraw/zinc/36/52/73/386365273.db2.gz LUSJQDHIUKYPOS-CYBMUJFWSA-N 0 1 243.354 3.186 10 0 BGAEMN Cc1c[nH]nc1CN[C@@H](C)c1ccc(C)cc1C ZINC000289872112 386364046 /nfs/dbraw/zinc/36/40/46/386364046.db2.gz LUSJQDHIUKYPOS-ZDUSSCGKSA-N 0 1 243.354 3.186 10 0 BGAEMN Cc1sccc1CN[C@@H]1COc2ccccc21 ZINC000293666851 388358196 /nfs/dbraw/zinc/35/81/96/388358196.db2.gz ULRXPLHJGHKSNV-CYBMUJFWSA-N 0 1 245.347 3.280 10 0 BGAEMN Cc1sccc1CN[C@H]1COc2ccccc21 ZINC000293666854 388358049 /nfs/dbraw/zinc/35/80/49/388358049.db2.gz ULRXPLHJGHKSNV-ZDUSSCGKSA-N 0 1 245.347 3.280 10 0 BGAEMN Cc1nocc1CN[C@H](C)c1ccc(C)c(C)c1 ZINC000293695914 388359950 /nfs/dbraw/zinc/35/99/50/388359950.db2.gz WRTSGWWLGYCPNC-GFCCVEGCSA-N 0 1 244.338 3.451 10 0 BGAEMN Cc1nocc1CN[C@@H](C)c1ccc(C)c(C)c1 ZINC000293695917 388359565 /nfs/dbraw/zinc/35/95/65/388359565.db2.gz WRTSGWWLGYCPNC-LBPRGKRZSA-N 0 1 244.338 3.451 10 0 BGAEMN Cc1nocc1CN[C@H](C)c1ccc(C)cc1C ZINC000293722865 388401940 /nfs/dbraw/zinc/40/19/40/388401940.db2.gz YRGFQZHODYJNFK-CYBMUJFWSA-N 0 1 244.338 3.451 10 0 BGAEMN Cc1nocc1CN[C@@H](C)c1ccc(C)cc1C ZINC000293722870 388401864 /nfs/dbraw/zinc/40/18/64/388401864.db2.gz YRGFQZHODYJNFK-ZDUSSCGKSA-N 0 1 244.338 3.451 10 0 BGAEMN CCc1ccc([C@@H](C)NCc2conc2C)cc1 ZINC000294153982 388395494 /nfs/dbraw/zinc/39/54/94/388395494.db2.gz OYTPJBONTNVJKO-LLVKDONJSA-N 0 1 244.338 3.396 10 0 BGAEMN CCc1ccc([C@H](C)NCc2conc2C)cc1 ZINC000294153985 388395237 /nfs/dbraw/zinc/39/52/37/388395237.db2.gz OYTPJBONTNVJKO-NSHDSACASA-N 0 1 244.338 3.396 10 0 BGAEMN CC(C)[C@@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000294224515 167381465 /nfs/dbraw/zinc/38/14/65/167381465.db2.gz SMXTZJLVUHTLCS-SECBINFHSA-N 0 1 227.735 3.180 10 0 BGAEMN CC(C)[C@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000294224518 384681500 /nfs/dbraw/zinc/68/15/00/384681500.db2.gz SMXTZJLVUHTLCS-VIFPVBQESA-N 0 1 227.735 3.180 10 0 BGAEMN Cc1nocc1CN[C@@H](C)c1ccccc1C ZINC000294298589 179339721 /nfs/dbraw/zinc/33/97/21/179339721.db2.gz WULFTUUFZMLLLP-LBPRGKRZSA-N 0 1 230.311 3.142 10 0 BGAEMN Cc1[nH]nc2cc(Cl)cc(Br)c12 ZINC000299889108 386498279 /nfs/dbraw/zinc/49/82/79/386498279.db2.gz DMAAHYQECITDAE-UHFFFAOYSA-N 0 1 245.507 3.287 10 0 BGAEMN CN[C@@H](c1ccc(Cl)o1)C1=CCCC1 ZINC000300060295 357184117 /nfs/dbraw/zinc/18/41/17/357184117.db2.gz ZYTBYMNJVITAET-LLVKDONJSA-N 0 1 211.692 3.304 10 0 BGAEMN CCc1ccc(-c2coc(=S)[nH]2)s1 ZINC000300062552 357182150 /nfs/dbraw/zinc/18/21/50/357182150.db2.gz XGZQRMADGZCLKC-UHFFFAOYSA-N 0 1 211.311 3.254 10 0 BGAEMN Cc1cnc([C@H](C)N[C@H]2CCC[C@H](C)C2)o1 ZINC000300395947 387203467 /nfs/dbraw/zinc/20/34/67/387203467.db2.gz PRZKJKQWUADPJZ-DLOVCJGASA-N 0 1 222.332 3.212 10 0 BGAEMN Cc1cnc([C@H](C)N[C@@H]2CCC[C@H](C)C2)o1 ZINC000300395948 179654534 /nfs/dbraw/zinc/65/45/34/179654534.db2.gz PRZKJKQWUADPJZ-ZMLRMANQSA-N 0 1 222.332 3.212 10 0 BGAEMN CC[C@@H]1CC[C@@H](N[C@H](C)c2ncc(C)o2)C1 ZINC000300395989 171040305 /nfs/dbraw/zinc/04/03/05/171040305.db2.gz SILAGCWXQGFXTF-IJLUTSLNSA-N 0 1 222.332 3.212 10 0 BGAEMN CC[C@@H]1CC[C@H](N[C@H](C)c2ncc(C)o2)C1 ZINC000300395990 171057891 /nfs/dbraw/zinc/05/78/91/171057891.db2.gz SILAGCWXQGFXTF-UTUOFQBUSA-N 0 1 222.332 3.212 10 0 BGAEMN Cc1cnc([C@H](C)NC[C@H]2CCC[C@H](C)C2)o1 ZINC000300412549 179653656 /nfs/dbraw/zinc/65/36/56/179653656.db2.gz ZBMCZQIADGOZCS-DRZSPHRISA-N 0 1 236.359 3.460 10 0 BGAEMN Cc1cnc([C@H](C)NC[C@@H]2CCC[C@H](C)C2)o1 ZINC000300412550 179653366 /nfs/dbraw/zinc/65/33/66/179653366.db2.gz ZBMCZQIADGOZCS-WCFLWFBJSA-N 0 1 236.359 3.460 10 0 BGAEMN Cc1cnc([C@H](C)N[C@@H]2CC[C@H](C)[C@H](C)C2)o1 ZINC000300419067 387210306 /nfs/dbraw/zinc/21/03/06/387210306.db2.gz NAUHKNICLAQXJY-JULQROHOSA-N 0 1 236.359 3.458 10 0 BGAEMN Cc1cnc([C@H](C)N[C@@H]2CC[C@@H](C)[C@H](C)C2)o1 ZINC000300419068 398344491 /nfs/dbraw/zinc/34/44/91/398344491.db2.gz NAUHKNICLAQXJY-VCDKRKBESA-N 0 1 236.359 3.458 10 0 BGAEMN Cc1cnc([C@H](C)N[C@@H]2CC[C@H](C)[C@@H](C)C2)o1 ZINC000300419069 398344442 /nfs/dbraw/zinc/34/44/42/398344442.db2.gz NAUHKNICLAQXJY-XRRVDJEJSA-N 0 1 236.359 3.458 10 0 BGAEMN Cc1cnc([C@@H](C)NCCC2CCCC2)o1 ZINC000300716578 387239302 /nfs/dbraw/zinc/23/93/02/387239302.db2.gz BINXQCOJWAZNAW-LLVKDONJSA-N 0 1 222.332 3.214 10 0 BGAEMN Cc1cnc([C@H](C)NCCC2CCCC2)o1 ZINC000300716579 387239362 /nfs/dbraw/zinc/23/93/62/387239362.db2.gz BINXQCOJWAZNAW-NSHDSACASA-N 0 1 222.332 3.214 10 0 BGAEMN Cc1cnc([C@@H](C)NCCCC(C)(C)C)o1 ZINC000300780353 398162307 /nfs/dbraw/zinc/16/23/07/398162307.db2.gz QZRKRPFPURBXER-LLVKDONJSA-N 0 1 224.348 3.460 10 0 BGAEMN Cc1cnc([C@H](C)NCCCC(C)(C)C)o1 ZINC000300780354 384922499 /nfs/dbraw/zinc/92/24/99/384922499.db2.gz QZRKRPFPURBXER-NSHDSACASA-N 0 1 224.348 3.460 10 0 BGAEMN Cc1cnc([C@@H](C)NC[C@@H](C)CC(C)C)o1 ZINC000300885477 385023582 /nfs/dbraw/zinc/02/35/82/385023582.db2.gz JJCCACNRYPDKNE-CMPLNLGQSA-N 0 1 224.348 3.316 10 0 BGAEMN Cc1cnc([C@H](C)NC[C@@H](C)CC(C)C)o1 ZINC000300885479 179654607 /nfs/dbraw/zinc/65/46/07/179654607.db2.gz JJCCACNRYPDKNE-JQWIXIFHSA-N 0 1 224.348 3.316 10 0 BGAEMN Cc1cnc([C@H](C)NC[C@H](C)CC(C)C)o1 ZINC000300885481 385025907 /nfs/dbraw/zinc/02/59/07/385025907.db2.gz JJCCACNRYPDKNE-PWSUYJOCSA-N 0 1 224.348 3.316 10 0 BGAEMN Cc1cnc([C@@H](C)NC[C@H](C)CC(C)C)o1 ZINC000300885484 385024019 /nfs/dbraw/zinc/02/40/19/385024019.db2.gz JJCCACNRYPDKNE-ZYHUDNBSSA-N 0 1 224.348 3.316 10 0 BGAEMN C[C@@H]1C[C@@H]1Nc1ccnc2cc(F)ccc21 ZINC000301294257 384873030 /nfs/dbraw/zinc/87/30/30/384873030.db2.gz VBAWHZXAUSZAMS-PELKAZGASA-N 0 1 216.259 3.194 10 0 BGAEMN C[C@@H]1C[C@H]1Nc1ccnc2cc(F)ccc21 ZINC000301294258 384873935 /nfs/dbraw/zinc/87/39/35/384873935.db2.gz VBAWHZXAUSZAMS-PRHODGIISA-N 0 1 216.259 3.194 10 0 BGAEMN C[C@H]1C[C@H]1Nc1ccnc2cc(F)ccc21 ZINC000301294259 187302574 /nfs/dbraw/zinc/30/25/74/187302574.db2.gz VBAWHZXAUSZAMS-QPUJVOFHSA-N 0 1 216.259 3.194 10 0 BGAEMN C[C@H]1C[C@@H]1Nc1ccnc2cc(F)ccc21 ZINC000301294260 177350655 /nfs/dbraw/zinc/35/06/55/177350655.db2.gz VBAWHZXAUSZAMS-UFBFGSQYSA-N 0 1 216.259 3.194 10 0 BGAEMN Cc1cc2ccccc2c(NCC(F)F)n1 ZINC000302010035 178296813 /nfs/dbraw/zinc/29/68/13/178296813.db2.gz AJKBCNAQBTWRCU-UHFFFAOYSA-N 0 1 222.238 3.220 10 0 BGAEMN CSCCNc1nc(C)cc2ccccc21 ZINC000302034659 384953638 /nfs/dbraw/zinc/95/36/38/384953638.db2.gz JOABFFSCHWOQKX-UHFFFAOYSA-N 0 1 232.352 3.318 10 0 BGAEMN Cc1cc2ccccc2c(N[C@@H]2C[C@H]2C)n1 ZINC000302049292 178297049 /nfs/dbraw/zinc/29/70/49/178297049.db2.gz OILDWDMIRORWFV-NOZJJQNGSA-N 0 1 212.296 3.364 10 0 BGAEMN Cc1cc2ccccc2c(N[C@H]2C[C@H]2C)n1 ZINC000302049293 178297452 /nfs/dbraw/zinc/29/74/52/178297452.db2.gz OILDWDMIRORWFV-RNCFNFMXSA-N 0 1 212.296 3.364 10 0 BGAEMN Cc1cc2ccccc2c(N[C@@H]2C[C@@H]2C)n1 ZINC000302049294 178297827 /nfs/dbraw/zinc/29/78/27/178297827.db2.gz OILDWDMIRORWFV-TVQRCGJNSA-N 0 1 212.296 3.364 10 0 BGAEMN Cc1cc2ccccc2c(N[C@H]2C[C@@H]2C)n1 ZINC000302049295 178297560 /nfs/dbraw/zinc/29/75/60/178297560.db2.gz OILDWDMIRORWFV-ZANVPECISA-N 0 1 212.296 3.364 10 0 BGAEMN Cc1cc2ccccc2c(NCC2CC2)n1 ZINC000302079993 178296849 /nfs/dbraw/zinc/29/68/49/178296849.db2.gz XNBCBNIRJONFAA-UHFFFAOYSA-N 0 1 212.296 3.365 10 0 BGAEMN Cc1nsc(Nc2ccsc2Cl)n1 ZINC000302481790 386924568 /nfs/dbraw/zinc/92/45/68/386924568.db2.gz GVEGKCBCGDUWDC-UHFFFAOYSA-N 0 1 231.733 3.305 10 0 BGAEMN Cc1cnc([C@@H](C)NC[C@@H]2CCC(F)(F)C2)o1 ZINC000305899423 179648366 /nfs/dbraw/zinc/64/83/66/179648366.db2.gz QJCBLGNYANNJMG-NXEZZACHSA-N 0 1 244.285 3.069 10 0 BGAEMN Cc1cnc([C@H](C)NC[C@H]2CCC(F)(F)C2)o1 ZINC000305899424 490624291 /nfs/dbraw/zinc/62/42/91/490624291.db2.gz QJCBLGNYANNJMG-UWVGGRQHSA-N 0 1 244.285 3.069 10 0 BGAEMN Cc1cnc([C@H](C)NC[C@@H]2CCC(F)(F)C2)o1 ZINC000305899425 490624251 /nfs/dbraw/zinc/62/42/51/490624251.db2.gz QJCBLGNYANNJMG-VHSXEESVSA-N 0 1 244.285 3.069 10 0 BGAEMN Cc1cnc([C@@H](C)NC[C@H]2CCC(F)(F)C2)o1 ZINC000305899426 490623569 /nfs/dbraw/zinc/62/35/69/490623569.db2.gz QJCBLGNYANNJMG-ZJUUUORDSA-N 0 1 244.285 3.069 10 0 BGAEMN CNC1(c2c(Cl)cccc2Cl)CC1 ZINC000306164353 352986142 /nfs/dbraw/zinc/98/61/42/352986142.db2.gz SPEBMGYTCBJOKE-UHFFFAOYSA-N 0 1 216.111 3.202 10 0 BGAEMN Cc1cc([C@@H]2NC(C)(C)CS2)cs1 ZINC000306216610 371999884 /nfs/dbraw/zinc/99/98/84/371999884.db2.gz PSBAJCOWTRUXIX-SECBINFHSA-N 0 1 213.371 3.170 10 0 BGAEMN Cc1cc([C@H]2NC(C)(C)CS2)cs1 ZINC000306216612 372000615 /nfs/dbraw/zinc/00/06/15/372000615.db2.gz PSBAJCOWTRUXIX-VIFPVBQESA-N 0 1 213.371 3.170 10 0 BGAEMN CC[C@]1(C)CN[C@@H]1c1occc1Br ZINC000306265842 359489310 /nfs/dbraw/zinc/48/93/10/359489310.db2.gz FMEZYEBWWMCNBP-NXEZZACHSA-N 0 1 244.132 3.103 10 0 BGAEMN CC[C@@]1(C)CN[C@H]1c1occc1Br ZINC000306265844 359489288 /nfs/dbraw/zinc/48/92/88/359489288.db2.gz FMEZYEBWWMCNBP-UWVGGRQHSA-N 0 1 244.132 3.103 10 0 BGAEMN CC[C@]1(C)CN[C@H]1c1occc1Br ZINC000306265846 359489115 /nfs/dbraw/zinc/48/91/15/359489115.db2.gz FMEZYEBWWMCNBP-VHSXEESVSA-N 0 1 244.132 3.103 10 0 BGAEMN CC[C@@]1(C)CN[C@@H]1c1occc1Br ZINC000306265848 359489165 /nfs/dbraw/zinc/48/91/65/359489165.db2.gz FMEZYEBWWMCNBP-ZJUUUORDSA-N 0 1 244.132 3.103 10 0 BGAEMN CCc1nc2cc(C)c(Br)cc2[nH]1 ZINC000306382376 359732866 /nfs/dbraw/zinc/73/28/66/359732866.db2.gz TYPQJTMHPFUMEU-UHFFFAOYSA-N 0 1 239.116 3.196 10 0 BGAEMN CC(C)c1nnc(-c2csc(Cl)c2)[nH]1 ZINC000306464171 360076403 /nfs/dbraw/zinc/07/64/03/360076403.db2.gz IYNJRDFFOSMGMT-UHFFFAOYSA-N 0 1 227.720 3.310 10 0 BGAEMN Clc1cc(-c2nnc(C3CC3)[nH]2)cs1 ZINC000306469172 360083882 /nfs/dbraw/zinc/08/38/82/360083882.db2.gz OYMVZQAVITTXDR-UHFFFAOYSA-N 0 1 225.704 3.064 10 0 BGAEMN Cc1cc(CSC(C)(C)C)cc(N)n1 ZINC000306485861 398203892 /nfs/dbraw/zinc/20/38/92/398203892.db2.gz NWGBZSIKLCDKRX-UHFFFAOYSA-N 0 1 210.346 3.004 10 0 BGAEMN CC(C)(C)CN1CCC=C(Br)C1 ZINC000306520430 360344471 /nfs/dbraw/zinc/34/44/71/360344471.db2.gz DQMFRWHLHZCXHX-UHFFFAOYSA-N 0 1 232.165 3.017 10 0 BGAEMN CC(C)(F)[C@H](N)c1ccc(Cl)s1 ZINC000306529195 360379368 /nfs/dbraw/zinc/37/93/68/360379368.db2.gz IATZZQAMUJLHRV-SSDOTTSWSA-N 0 1 207.701 3.149 10 0 BGAEMN CC(C)(F)[C@@H](N)c1ccc(Cl)s1 ZINC000306529196 360379285 /nfs/dbraw/zinc/37/92/85/360379285.db2.gz IATZZQAMUJLHRV-ZETCQYMHSA-N 0 1 207.701 3.149 10 0 BGAEMN Cc1cc([C@@H](N)C(C)(C)F)sc1Cl ZINC000306579130 360468069 /nfs/dbraw/zinc/46/80/69/360468069.db2.gz WQAQAKOLGXWSBH-SSDOTTSWSA-N 0 1 221.728 3.458 10 0 BGAEMN Cc1cc([C@H](N)C(C)(C)F)sc1Cl ZINC000306579131 360467414 /nfs/dbraw/zinc/46/74/14/360467414.db2.gz WQAQAKOLGXWSBH-ZETCQYMHSA-N 0 1 221.728 3.458 10 0 BGAEMN N[C@H](Cc1sccc1Cl)c1ccco1 ZINC000306595341 360516463 /nfs/dbraw/zinc/51/64/63/360516463.db2.gz KPSPLTWLXSTPSW-MRVPVSSYSA-N 0 1 227.716 3.237 10 0 BGAEMN N[C@@H](Cc1sccc1Cl)c1ccco1 ZINC000306595342 360515784 /nfs/dbraw/zinc/51/57/84/360515784.db2.gz KPSPLTWLXSTPSW-QMMMGPOBSA-N 0 1 227.716 3.237 10 0 BGAEMN CC(C)(C)NCc1nc(Cl)ccc1Cl ZINC000306595375 360516338 /nfs/dbraw/zinc/51/63/38/360516338.db2.gz KUHZCBMXFGCVLB-UHFFFAOYSA-N 0 1 233.142 3.277 10 0 BGAEMN CC(C)C[C@H]([NH3+])c1ccc([O-])c(Cl)c1 ZINC000306640024 361593779 /nfs/dbraw/zinc/59/37/79/361593779.db2.gz IZMKBWQYBXNHEC-JTQLQIEISA-N 0 1 213.708 3.092 10 0 BGAEMN CCC1SC(=S)N=C1C(C)(C)C ZINC000306657566 361867592 /nfs/dbraw/zinc/86/75/92/361867592.db2.gz NAPIISUUEWRFNA-UHFFFAOYSA-N 0 1 201.360 3.292 10 0 BGAEMN CN[C@H](C)c1nc(C(C)(C)C)sc1C ZINC000306684308 350842162 /nfs/dbraw/zinc/84/21/62/350842162.db2.gz ZMYBSRSAVIWORR-SSDOTTSWSA-N 0 1 212.362 3.029 10 0 BGAEMN CN[C@@H](C)c1nc(C(C)(C)C)sc1C ZINC000306684309 350842143 /nfs/dbraw/zinc/84/21/43/350842143.db2.gz ZMYBSRSAVIWORR-ZETCQYMHSA-N 0 1 212.362 3.029 10 0 BGAEMN CC[C@@H](C1CCC1)N1CC(C)=NC1=S ZINC000306715253 350876972 /nfs/dbraw/zinc/87/69/72/350876972.db2.gz YMTPHIQSLNKQHR-JTQLQIEISA-N 0 1 210.346 3.231 10 0 BGAEMN CC[C@H](C1CCC1)N1CC(C)=NC1=S ZINC000306715254 350876946 /nfs/dbraw/zinc/87/69/46/350876946.db2.gz YMTPHIQSLNKQHR-SNVBAGLBSA-N 0 1 210.346 3.231 10 0 BGAEMN CC(C)C[C@@H]([NH3+])c1ccc([O-])c(Cl)c1 ZINC000306726792 350897199 /nfs/dbraw/zinc/89/71/99/350897199.db2.gz IZMKBWQYBXNHEC-SNVBAGLBSA-N 0 1 213.708 3.092 10 0 BGAEMN Oc1cc(F)cc(Br)c1C(F)F ZINC000306764156 350994717 /nfs/dbraw/zinc/99/47/17/350994717.db2.gz YZGWOASHUMAVSN-UHFFFAOYSA-N 0 1 241.006 3.231 10 0 BGAEMN CC1=NC(=S)N(c2ccsc2Cl)C1 ZINC000306774976 353037945 /nfs/dbraw/zinc/03/79/45/353037945.db2.gz WIMTZVKEPYLCDN-UHFFFAOYSA-N 0 1 230.745 3.184 10 0 BGAEMN Oc1c(Br)cc(F)cc1C(F)F ZINC000306777306 372067057 /nfs/dbraw/zinc/06/70/57/372067057.db2.gz MZQXAMVPDUWSMQ-UHFFFAOYSA-N 0 1 241.006 3.231 10 0 BGAEMN Cc1ccc([C@H](N)c2cocc2C)s1 ZINC000306806239 351057752 /nfs/dbraw/zinc/05/77/52/351057752.db2.gz JCGHLXAMXSOUOW-LLVKDONJSA-N 0 1 207.298 3.006 10 0 BGAEMN Cc1ccc([C@@H](N)c2cocc2C)s1 ZINC000306806240 351057547 /nfs/dbraw/zinc/05/75/47/351057547.db2.gz JCGHLXAMXSOUOW-NSHDSACASA-N 0 1 207.298 3.006 10 0 BGAEMN Cc1csc([C@H](N)c2ccc[nH]2)c1Cl ZINC000306820706 351129093 /nfs/dbraw/zinc/12/90/93/351129093.db2.gz JIOBTIDUZDOBBZ-SECBINFHSA-N 0 1 226.732 3.086 10 0 BGAEMN Cc1csc([C@@H](N)c2ccc[nH]2)c1Cl ZINC000306820709 351128656 /nfs/dbraw/zinc/12/86/56/351128656.db2.gz JIOBTIDUZDOBBZ-VIFPVBQESA-N 0 1 226.732 3.086 10 0 BGAEMN Oc1ccc(C(F)F)c(F)c1Br ZINC000306848534 398219524 /nfs/dbraw/zinc/21/95/24/398219524.db2.gz LQZOWBQBQWODMI-UHFFFAOYSA-N 0 1 241.006 3.231 10 0 BGAEMN Oc1cc(Br)cc(F)c1C(F)F ZINC000306864919 351243585 /nfs/dbraw/zinc/24/35/85/351243585.db2.gz LXDZKOGJEWQNSS-UHFFFAOYSA-N 0 1 241.006 3.231 10 0 BGAEMN CC(C)C1CCC([C@H](N)C(F)F)CC1 ZINC000307016764 353049919 /nfs/dbraw/zinc/04/99/19/353049919.db2.gz PIPMIUCVQUUTJF-RTBKNWGFSA-N 0 1 205.292 3.041 10 0 BGAEMN CC1CCC(C[C@H](N)C(C)(F)F)CC1 ZINC000307050573 351447800 /nfs/dbraw/zinc/44/78/00/351447800.db2.gz LVXYCGXPFDYNMQ-RTBKNWGFSA-N 0 1 205.292 3.185 10 0 BGAEMN CC1CCC(C[C@@H](N)C(C)(F)F)CC1 ZINC000307050574 351448024 /nfs/dbraw/zinc/44/80/24/351448024.db2.gz LVXYCGXPFDYNMQ-UDNWOFFPSA-N 0 1 205.292 3.185 10 0 BGAEMN Oc1c(F)cc(C(F)F)cc1Br ZINC000307081550 351469347 /nfs/dbraw/zinc/46/93/47/351469347.db2.gz GZOBCKLYERBXPY-UHFFFAOYSA-N 0 1 241.006 3.231 10 0 BGAEMN Oc1c(F)ccc(Br)c1C(F)F ZINC000307084469 353053313 /nfs/dbraw/zinc/05/33/13/353053313.db2.gz ITCNOPYUQWGXFR-UHFFFAOYSA-N 0 1 241.006 3.231 10 0 BGAEMN N[C@H](c1ccoc1)c1ccsc1Cl ZINC000307108344 351483216 /nfs/dbraw/zinc/48/32/16/351483216.db2.gz JCRXUOUBPGPRHD-MRVPVSSYSA-N 0 1 213.689 3.043 10 0 BGAEMN N[C@@H](c1ccoc1)c1ccsc1Cl ZINC000307108348 351483379 /nfs/dbraw/zinc/48/33/79/351483379.db2.gz JCRXUOUBPGPRHD-QMMMGPOBSA-N 0 1 213.689 3.043 10 0 BGAEMN Oc1cc(F)cc(C(F)F)c1Br ZINC000307141765 351501283 /nfs/dbraw/zinc/50/12/83/351501283.db2.gz DPIPQTDZGACQEL-UHFFFAOYSA-N 0 1 241.006 3.231 10 0 BGAEMN Oc1c(F)ccc(C(F)F)c1Br ZINC000307167571 351540390 /nfs/dbraw/zinc/54/03/90/351540390.db2.gz SAHFJZBPIQOTBO-UHFFFAOYSA-N 0 1 241.006 3.231 10 0 BGAEMN Oc1cc(F)c(C(F)F)cc1Br ZINC000307168591 351542573 /nfs/dbraw/zinc/54/25/73/351542573.db2.gz VNLLUCLMSWQYOP-UHFFFAOYSA-N 0 1 241.006 3.231 10 0 BGAEMN Oc1cc(C(F)F)cc(F)c1Br ZINC000307168987 351543683 /nfs/dbraw/zinc/54/36/83/351543683.db2.gz WSAOCWNHVARSQN-UHFFFAOYSA-N 0 1 241.006 3.231 10 0 BGAEMN CC1=NC(=S)SC1CC(C)(C)C ZINC000307177968 351565482 /nfs/dbraw/zinc/56/54/82/351565482.db2.gz YASHFJVMRDWRGH-UHFFFAOYSA-N 0 1 201.360 3.329 10 0 BGAEMN Oc1ccc(Br)c(F)c1C(F)F ZINC000307210976 351612390 /nfs/dbraw/zinc/61/23/90/351612390.db2.gz NIIROKIUENFUFR-UHFFFAOYSA-N 0 1 241.006 3.231 10 0 BGAEMN CC(C)(F)c1nc2ccc(Cl)cc2[nH]1 ZINC000307223572 351650463 /nfs/dbraw/zinc/65/04/63/351650463.db2.gz RULRANJCPDQXOI-UHFFFAOYSA-N 0 1 212.655 3.421 10 0 BGAEMN Cc1ccccc1C(=O)C1CC(F)(F)C1 ZINC000307231943 351687205 /nfs/dbraw/zinc/68/72/05/351687205.db2.gz DLVYLLNVHISSBX-UHFFFAOYSA-N 0 1 210.223 3.223 10 0 BGAEMN Cc1cc(C(=O)C2CC(F)(F)C2)cs1 ZINC000307249803 351755584 /nfs/dbraw/zinc/75/55/84/351755584.db2.gz OYDDKOZIMADBIJ-UHFFFAOYSA-N 0 1 216.252 3.285 10 0 BGAEMN CC[C@@H]1CS[C@H](c2ccsc2C)N1 ZINC000307268362 351815017 /nfs/dbraw/zinc/81/50/17/351815017.db2.gz KILUZCLIIJBIHJ-PSASIEDQSA-N 0 1 213.371 3.170 10 0 BGAEMN CC[C@@H]1CS[C@@H](c2ccsc2C)N1 ZINC000307268363 351814990 /nfs/dbraw/zinc/81/49/90/351814990.db2.gz KILUZCLIIJBIHJ-SCZZXKLOSA-N 0 1 213.371 3.170 10 0 BGAEMN CC[C@H]1CS[C@H](c2ccsc2C)N1 ZINC000307268364 351814850 /nfs/dbraw/zinc/81/48/50/351814850.db2.gz KILUZCLIIJBIHJ-WCBMZHEXSA-N 0 1 213.371 3.170 10 0 BGAEMN CC[C@H]1CS[C@@H](c2ccsc2C)N1 ZINC000307268365 351814861 /nfs/dbraw/zinc/81/48/61/351814861.db2.gz KILUZCLIIJBIHJ-WPRPVWTQSA-N 0 1 213.371 3.170 10 0 BGAEMN CC(C)[C@]1(C)CSC(NCc2ccccc2)=N1 ZINC000307270947 351823678 /nfs/dbraw/zinc/82/36/78/351823678.db2.gz NKFQSJMPAVGHLD-AWEZNQCLSA-N 0 1 248.395 3.294 10 0 BGAEMN CC(C)[C@@]1(C)CSC(NCc2ccccc2)=N1 ZINC000307270948 351823724 /nfs/dbraw/zinc/82/37/24/351823724.db2.gz NKFQSJMPAVGHLD-CQSZACIVSA-N 0 1 248.395 3.294 10 0 BGAEMN CCOc1cc(O)c(Cl)c(Cl)c1 ZINC000307275616 351830813 /nfs/dbraw/zinc/83/08/13/351830813.db2.gz ROEYRANJJIGYPZ-UHFFFAOYSA-N 0 1 207.056 3.098 10 0 BGAEMN N[C@H](c1ccoc1)c1csc(Cl)c1 ZINC000307289812 351858614 /nfs/dbraw/zinc/85/86/14/351858614.db2.gz ZKLGTKDHNOOCJH-SECBINFHSA-N 0 1 213.689 3.043 10 0 BGAEMN N[C@@H](c1ccoc1)c1csc(Cl)c1 ZINC000307289813 351857927 /nfs/dbraw/zinc/85/79/27/351857927.db2.gz ZKLGTKDHNOOCJH-VIFPVBQESA-N 0 1 213.689 3.043 10 0 BGAEMN Cc1sccc1[C@@H]1NC(C)(C)CS1 ZINC000307306296 351932652 /nfs/dbraw/zinc/93/26/52/351932652.db2.gz JPHOWGPVJIJNMD-SECBINFHSA-N 0 1 213.371 3.170 10 0 BGAEMN Cc1sccc1[C@H]1NC(C)(C)CS1 ZINC000307306298 351932933 /nfs/dbraw/zinc/93/29/33/351932933.db2.gz JPHOWGPVJIJNMD-VIFPVBQESA-N 0 1 213.371 3.170 10 0 BGAEMN CC[C@@H]1CS[C@H](c2csc(C)c2)N1 ZINC000307321836 352016060 /nfs/dbraw/zinc/01/60/60/352016060.db2.gz XFLYEEPANMZXAV-NXEZZACHSA-N 0 1 213.371 3.170 10 0 BGAEMN CC[C@H]1CS[C@@H](c2csc(C)c2)N1 ZINC000307321837 352016225 /nfs/dbraw/zinc/01/62/25/352016225.db2.gz XFLYEEPANMZXAV-UWVGGRQHSA-N 0 1 213.371 3.170 10 0 BGAEMN CC[C@H]1CS[C@H](c2csc(C)c2)N1 ZINC000307321838 352015954 /nfs/dbraw/zinc/01/59/54/352015954.db2.gz XFLYEEPANMZXAV-VHSXEESVSA-N 0 1 213.371 3.170 10 0 BGAEMN CC[C@@H]1CS[C@@H](c2csc(C)c2)N1 ZINC000307321839 352016134 /nfs/dbraw/zinc/01/61/34/352016134.db2.gz XFLYEEPANMZXAV-ZJUUUORDSA-N 0 1 213.371 3.170 10 0 BGAEMN NCc1ccc(-c2ccsc2Cl)o1 ZINC000307337532 352056464 /nfs/dbraw/zinc/05/64/64/352056464.db2.gz PEMDZLIESXKJLP-UHFFFAOYSA-N 0 1 213.689 3.120 10 0 BGAEMN Cc1nccc(N[C@H](C)C(C)C)c1Cl ZINC000307351042 386485313 /nfs/dbraw/zinc/48/53/13/386485313.db2.gz BCERKQJAPFRKHR-MRVPVSSYSA-N 0 1 212.724 3.500 10 0 BGAEMN Cc1nccc(N[C@@H](C)C(C)C)c1Cl ZINC000307351043 386486205 /nfs/dbraw/zinc/48/62/05/386486205.db2.gz BCERKQJAPFRKHR-QMMMGPOBSA-N 0 1 212.724 3.500 10 0 BGAEMN CCOc1cc(Cl)cc(O)c1Cl ZINC000307361641 353070640 /nfs/dbraw/zinc/07/06/40/353070640.db2.gz HNBCZHFNDBZYKV-UHFFFAOYSA-N 0 1 207.056 3.098 10 0 BGAEMN C[C@@H]1C[C@H]1NCc1ccsc1Br ZINC000307392347 352569095 /nfs/dbraw/zinc/56/90/95/352569095.db2.gz YHMNKJGDIASSEW-HTRCEHHLSA-N 0 1 246.173 3.009 10 0 BGAEMN C[C@H]1C[C@H]1NCc1ccsc1Br ZINC000307392348 352569098 /nfs/dbraw/zinc/56/90/98/352569098.db2.gz YHMNKJGDIASSEW-POYBYMJQSA-N 0 1 246.173 3.009 10 0 BGAEMN C[C@@H]1C[C@@H]1NCc1ccsc1Br ZINC000307392349 352569193 /nfs/dbraw/zinc/56/91/93/352569193.db2.gz YHMNKJGDIASSEW-SVRRBLITSA-N 0 1 246.173 3.009 10 0 BGAEMN C[C@H]1C[C@@H]1NCc1ccsc1Br ZINC000307392350 352568995 /nfs/dbraw/zinc/56/89/95/352568995.db2.gz YHMNKJGDIASSEW-XPUUQOCRSA-N 0 1 246.173 3.009 10 0 BGAEMN CC(C)(F)[C@H](N)c1sccc1Cl ZINC000307418971 352592100 /nfs/dbraw/zinc/59/21/00/352592100.db2.gz MKDKEZFWGFDZJH-SSDOTTSWSA-N 0 1 207.701 3.149 10 0 BGAEMN CC(C)(F)[C@@H](N)c1sccc1Cl ZINC000307418972 352592088 /nfs/dbraw/zinc/59/20/88/352592088.db2.gz MKDKEZFWGFDZJH-ZETCQYMHSA-N 0 1 207.701 3.149 10 0 BGAEMN Oc1c(F)c(C(F)F)ccc1Br ZINC000307443770 398167690 /nfs/dbraw/zinc/16/76/90/398167690.db2.gz CJCWQEVMSMYEJN-UHFFFAOYSA-N 0 1 241.006 3.231 10 0 BGAEMN CC1=NC(=S)N([C@H](C)[C@@H]2CC2(C)C)C1 ZINC000307580876 352660676 /nfs/dbraw/zinc/66/06/76/352660676.db2.gz ZGVXFQRAFPMGFB-BDAKNGLRSA-N 0 1 210.346 3.087 10 0 BGAEMN CC1=NC(=S)N([C@@H](C)[C@H]2CC2(C)C)C1 ZINC000307580877 352660441 /nfs/dbraw/zinc/66/04/41/352660441.db2.gz ZGVXFQRAFPMGFB-DTWKUNHWSA-N 0 1 210.346 3.087 10 0 BGAEMN CC1=NC(=S)N([C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000307580878 352660682 /nfs/dbraw/zinc/66/06/82/352660682.db2.gz ZGVXFQRAFPMGFB-IUCAKERBSA-N 0 1 210.346 3.087 10 0 BGAEMN CC1=NC(=S)N([C@H](C)[C@H]2CC2(C)C)C1 ZINC000307580879 352660603 /nfs/dbraw/zinc/66/06/03/352660603.db2.gz ZGVXFQRAFPMGFB-RKDXNWHRSA-N 0 1 210.346 3.087 10 0 BGAEMN C[C@@H]1CC[C@H]([C@@H](N)C(C)(F)F)C[C@H]1C ZINC000307681791 352796359 /nfs/dbraw/zinc/79/63/59/352796359.db2.gz YPLSONICQIJJKY-DOLQZWNJSA-N 0 1 205.292 3.041 10 0 BGAEMN C[C@@H]1CC[C@H]([C@H](N)C(C)(F)F)C[C@H]1C ZINC000307681793 352796170 /nfs/dbraw/zinc/79/61/70/352796170.db2.gz YPLSONICQIJJKY-IMSYWVGJSA-N 0 1 205.292 3.041 10 0 BGAEMN C[C@@H]1CC[C@H]([C@H](N)C(C)(F)F)C[C@@H]1C ZINC000307681794 352796276 /nfs/dbraw/zinc/79/62/76/352796276.db2.gz YPLSONICQIJJKY-KATARQTJSA-N 0 1 205.292 3.041 10 0 BGAEMN C[C@@H]1CC[C@H]([C@@H](N)C(C)(F)F)C[C@@H]1C ZINC000307681795 352796063 /nfs/dbraw/zinc/79/60/63/352796063.db2.gz YPLSONICQIJJKY-XFWSIPNHSA-N 0 1 205.292 3.041 10 0 BGAEMN Oc1c(F)cc(Br)cc1C(F)F ZINC000307715808 353096350 /nfs/dbraw/zinc/09/63/50/353096350.db2.gz ISUHSKSHPBAYQA-UHFFFAOYSA-N 0 1 241.006 3.231 10 0 BGAEMN Cc1csc([C@@H](N)c2cccs2)c1 ZINC000307732323 353121342 /nfs/dbraw/zinc/12/13/42/353121342.db2.gz LFUMZHMFNUJQDX-JTQLQIEISA-N 0 1 209.339 3.166 10 0 BGAEMN Cc1csc([C@H](N)c2cccs2)c1 ZINC000307732324 353121205 /nfs/dbraw/zinc/12/12/05/353121205.db2.gz LFUMZHMFNUJQDX-SNVBAGLBSA-N 0 1 209.339 3.166 10 0 BGAEMN CCCCCC(=O)C(CC)=C(O)C1CC1 ZINC000308808595 582729094 /nfs/dbraw/zinc/72/90/94/582729094.db2.gz PXVZHIAWYDBPHK-LLVKDONJSA-N 0 1 210.317 3.141 10 0 BGAEMN CCCCCC(=O)C(CC)=C(O)C1CC1 ZINC000308808600 582728760 /nfs/dbraw/zinc/72/87/60/582728760.db2.gz PXVZHIAWYDBPHK-NSHDSACASA-N 0 1 210.317 3.141 10 0 BGAEMN Cc1cnc([C@H](C)NCC2CC(C)(C)C2)o1 ZINC000309557647 491151440 /nfs/dbraw/zinc/15/14/40/491151440.db2.gz KCJQAPWHWUXFOJ-JTQLQIEISA-N 0 1 222.332 3.070 10 0 BGAEMN Cc1cnc([C@@H](C)NCC2CC(C)(C)C2)o1 ZINC000309557648 491151434 /nfs/dbraw/zinc/15/14/34/491151434.db2.gz KCJQAPWHWUXFOJ-SNVBAGLBSA-N 0 1 222.332 3.070 10 0 BGAEMN Cc1cnc([C@H](C)N[C@@H](C)[C@@H]2CC2(C)C)o1 ZINC000309571859 385700269 /nfs/dbraw/zinc/70/02/69/385700269.db2.gz NWESWISLWLFKMV-DCAQKATOSA-N 0 1 222.332 3.068 10 0 BGAEMN Cc1cnc([C@H](C)N[C@@H](C)[C@H]2CC2(C)C)o1 ZINC000309571861 385701700 /nfs/dbraw/zinc/70/17/00/385701700.db2.gz NWESWISLWLFKMV-GARJFASQSA-N 0 1 222.332 3.068 10 0 BGAEMN Cc1cnc([C@H](C)N[C@H](C)[C@H]2CC2(C)C)o1 ZINC000309571864 385701663 /nfs/dbraw/zinc/70/16/63/385701663.db2.gz NWESWISLWLFKMV-OUAUKWLOSA-N 0 1 222.332 3.068 10 0 BGAEMN Cc1cnc([C@H](C)N[C@H](C)[C@@H]2CC2(C)C)o1 ZINC000309571865 385700309 /nfs/dbraw/zinc/70/03/09/385700309.db2.gz NWESWISLWLFKMV-VWYCJHECSA-N 0 1 222.332 3.068 10 0 BGAEMN FC(F)(F)c1cnc(NCc2ccsc2)[nH]1 ZINC000309597781 385727752 /nfs/dbraw/zinc/72/77/52/385727752.db2.gz VGIGIYUVEOHPLG-UHFFFAOYSA-N 0 1 247.245 3.102 10 0 BGAEMN Cc1cnc([C@@H](C)NCC2(C(C)C)CC2)o1 ZINC000309619301 491152630 /nfs/dbraw/zinc/15/26/30/491152630.db2.gz OSANHEZQLMVXTR-LLVKDONJSA-N 0 1 222.332 3.070 10 0 BGAEMN Cc1cnc([C@H](C)NCC2(C(C)C)CC2)o1 ZINC000309619302 491152646 /nfs/dbraw/zinc/15/26/46/491152646.db2.gz OSANHEZQLMVXTR-NSHDSACASA-N 0 1 222.332 3.070 10 0 BGAEMN Cc1ccnc(CN[C@@H](C)c2cccs2)c1 ZINC000309694362 491154631 /nfs/dbraw/zinc/15/46/31/491154631.db2.gz KQTVJXUKQAYDDJ-NSHDSACASA-N 0 1 232.352 3.302 10 0 BGAEMN Cc1cnc([C@H](C)NCCCCC(C)C)o1 ZINC000309705754 633230354 /nfs/dbraw/zinc/23/03/54/633230354.db2.gz VFNQHBRJNLGGIN-LBPRGKRZSA-N 0 1 224.348 3.460 10 0 BGAEMN CC1(CNc2ncc(C(F)(F)F)[nH]2)CCC1 ZINC000309832208 633815152 /nfs/dbraw/zinc/81/51/52/633815152.db2.gz YVIVGSZXODSXIN-UHFFFAOYSA-N 0 1 233.237 3.031 10 0 BGAEMN Cc1ccnc(CN[C@H](C)c2cccs2)c1 ZINC000309906719 491158035 /nfs/dbraw/zinc/15/80/35/491158035.db2.gz KQTVJXUKQAYDDJ-LLVKDONJSA-N 0 1 232.352 3.302 10 0 BGAEMN Cc1nc(C)c(CN[C@H](C)c2cccs2)o1 ZINC000309906830 491158089 /nfs/dbraw/zinc/15/80/89/491158089.db2.gz KTGXELKJOFCDJW-SECBINFHSA-N 0 1 236.340 3.204 10 0 BGAEMN Cc1nc(C)c(CN[C@@H](C)c2cccs2)o1 ZINC000309906831 491158039 /nfs/dbraw/zinc/15/80/39/491158039.db2.gz KTGXELKJOFCDJW-VIFPVBQESA-N 0 1 236.340 3.204 10 0 BGAEMN N[C@@H](CF)c1ccccc1OCc1ccccc1 ZINC000309999881 344156222 /nfs/dbraw/zinc/15/62/22/344156222.db2.gz DJONVMKBUBEWKQ-AWEZNQCLSA-N 0 1 245.297 3.235 10 0 BGAEMN N[C@H](CF)c1ccccc1OCc1ccccc1 ZINC000309999882 344156369 /nfs/dbraw/zinc/15/63/69/344156369.db2.gz DJONVMKBUBEWKQ-CQSZACIVSA-N 0 1 245.297 3.235 10 0 BGAEMN Cc1nc(C)c(CN[C@H]2CCc3ccccc32)o1 ZINC000311746818 346178450 /nfs/dbraw/zinc/17/84/50/346178450.db2.gz CDKLITAXRMKVLU-AWEZNQCLSA-N 0 1 242.322 3.069 10 0 BGAEMN Cc1nc(C)c(CN[C@H](C)c2cccc(C)c2)o1 ZINC000311868792 411558662 /nfs/dbraw/zinc/55/86/62/411558662.db2.gz TZYNFXYNNJDIHO-LLVKDONJSA-N 0 1 244.338 3.451 10 0 BGAEMN Cc1nc(C)c(CN[C@@H](C)c2cccc(C)c2)o1 ZINC000311868793 411558597 /nfs/dbraw/zinc/55/85/97/411558597.db2.gz TZYNFXYNNJDIHO-NSHDSACASA-N 0 1 244.338 3.451 10 0 BGAEMN CCCC(=O)C(CC)=C(O)C1CCCC1 ZINC000313444814 541469305 /nfs/dbraw/zinc/46/93/05/541469305.db2.gz OPHFYPXQCYSHDF-LLVKDONJSA-N 0 1 210.317 3.141 10 0 BGAEMN CCCC(=O)C(CC)=C(O)C1CCCC1 ZINC000313444815 541469320 /nfs/dbraw/zinc/46/93/20/541469320.db2.gz OPHFYPXQCYSHDF-NSHDSACASA-N 0 1 210.317 3.141 10 0 BGAEMN Cc1occc1CN[C@H]1CCOc2ccccc21 ZINC000321585881 387277649 /nfs/dbraw/zinc/27/76/49/387277649.db2.gz OVOZEILTBAUMGM-AWEZNQCLSA-N 0 1 243.306 3.201 10 0 BGAEMN Cc1occc1CN[C@@H]1CCOc2ccccc21 ZINC000321585884 387277922 /nfs/dbraw/zinc/27/79/22/387277922.db2.gz OVOZEILTBAUMGM-CQSZACIVSA-N 0 1 243.306 3.201 10 0 BGAEMN CCCCCC(=O)C(C)=C(O)C1CCC1 ZINC000323809754 585029177 /nfs/dbraw/zinc/02/91/77/585029177.db2.gz HVNUVYRWRLRICX-JTQLQIEISA-N 0 1 210.317 3.141 10 0 BGAEMN CCCCCC(=O)C(C)=C(O)C1CCC1 ZINC000323809762 585029041 /nfs/dbraw/zinc/02/90/41/585029041.db2.gz HVNUVYRWRLRICX-SNVBAGLBSA-N 0 1 210.317 3.141 10 0 BGAEMN CCC[C@H]1C[C@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000328372458 388642175 /nfs/dbraw/zinc/64/21/75/388642175.db2.gz WQIZAJUSAJKZPA-GXSJLCMTSA-N 0 1 239.746 3.324 10 0 BGAEMN CCC[C@@H]1C[C@@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000328372459 323221564 /nfs/dbraw/zinc/22/15/64/323221564.db2.gz WQIZAJUSAJKZPA-KOLCDFICSA-N 0 1 239.746 3.324 10 0 BGAEMN CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000328372460 323221617 /nfs/dbraw/zinc/22/16/17/323221617.db2.gz WQIZAJUSAJKZPA-MWLCHTKSSA-N 0 1 239.746 3.324 10 0 BGAEMN CCC[C@H]1C[C@@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000328372461 323221672 /nfs/dbraw/zinc/22/16/72/323221672.db2.gz WQIZAJUSAJKZPA-ONGXEEELSA-N 0 1 239.746 3.324 10 0 BGAEMN Cc1cnc([C@@H](C)N[C@H]2CCCC23CCC3)o1 ZINC000334756153 384474792 /nfs/dbraw/zinc/47/47/92/384474792.db2.gz HGZNMBZEWQKRQI-NEPJUHHUSA-N 0 1 234.343 3.356 10 0 BGAEMN Cc1cnc([C@H](C)N[C@@H]2CCCC23CCC3)o1 ZINC000334756170 384475556 /nfs/dbraw/zinc/47/55/56/384475556.db2.gz HGZNMBZEWQKRQI-NWDGAFQWSA-N 0 1 234.343 3.356 10 0 BGAEMN Cc1cnc([C@H](C)N[C@H]2CCCC23CCC3)o1 ZINC000334756174 384474178 /nfs/dbraw/zinc/47/41/78/384474178.db2.gz HGZNMBZEWQKRQI-RYUDHWBXSA-N 0 1 234.343 3.356 10 0 BGAEMN Cc1cnc([C@@H](C)N[C@@H]2CCCC23CCC3)o1 ZINC000334756177 135403227 /nfs/dbraw/zinc/40/32/27/135403227.db2.gz HGZNMBZEWQKRQI-VXGBXAGGSA-N 0 1 234.343 3.356 10 0 BGAEMN Cc1cnc([C@@H](C)NC2CCC3(CC3)CC2)o1 ZINC000334929990 387006234 /nfs/dbraw/zinc/00/62/34/387006234.db2.gz UFDKNXSYDCWNNC-LLVKDONJSA-N 0 1 234.343 3.356 10 0 BGAEMN Cc1cnc([C@H](C)NC2CCC3(CC3)CC2)o1 ZINC000334929991 135844163 /nfs/dbraw/zinc/84/41/63/135844163.db2.gz UFDKNXSYDCWNNC-NSHDSACASA-N 0 1 234.343 3.356 10 0 BGAEMN Cc1nc([C@H](C)N[C@@H]2C=CCCC2)cs1 ZINC000335603223 180050926 /nfs/dbraw/zinc/05/09/26/180050926.db2.gz XCYVKORIQRAHEZ-GXSJLCMTSA-N 0 1 222.357 3.211 10 0 BGAEMN Cc1nc([C@@H](C)N[C@H]2C=CCCC2)cs1 ZINC000335603224 180037651 /nfs/dbraw/zinc/03/76/51/180037651.db2.gz XCYVKORIQRAHEZ-KOLCDFICSA-N 0 1 222.357 3.211 10 0 BGAEMN Cc1nc([C@@H](C)N[C@@H]2C=CCCC2)cs1 ZINC000335603225 180038082 /nfs/dbraw/zinc/03/80/82/180038082.db2.gz XCYVKORIQRAHEZ-MWLCHTKSSA-N 0 1 222.357 3.211 10 0 BGAEMN Cc1nc([C@H](C)N[C@H]2C=CCCC2)cs1 ZINC000335603226 180051832 /nfs/dbraw/zinc/05/18/32/180051832.db2.gz XCYVKORIQRAHEZ-ONGXEEELSA-N 0 1 222.357 3.211 10 0 BGAEMN Cc1ccnc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000335805748 355476578 /nfs/dbraw/zinc/47/65/78/355476578.db2.gz SPWAZVCSIZHXOU-CLLJXQQHSA-N 0 1 234.343 3.006 10 0 BGAEMN Cc1ccnc(NCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000335805749 355476358 /nfs/dbraw/zinc/47/63/58/355476358.db2.gz SPWAZVCSIZHXOU-RYUDHWBXSA-N 0 1 234.343 3.006 10 0 BGAEMN Cc1ccnc(NCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000335805750 355476718 /nfs/dbraw/zinc/47/67/18/355476718.db2.gz SPWAZVCSIZHXOU-VXGBXAGGSA-N 0 1 234.343 3.006 10 0 BGAEMN Cc1cc(CN[C@@H]2COc3ccccc32)cs1 ZINC000336322447 178035403 /nfs/dbraw/zinc/03/54/03/178035403.db2.gz BLRKTZQUXDUAKX-CYBMUJFWSA-N 0 1 245.347 3.280 10 0 BGAEMN Cc1cc(CN[C@H]2COc3ccccc32)cs1 ZINC000336322448 178041747 /nfs/dbraw/zinc/04/17/47/178041747.db2.gz BLRKTZQUXDUAKX-ZDUSSCGKSA-N 0 1 245.347 3.280 10 0 BGAEMN Cc1cnc([C@H](C)N[C@@H]2CC[C@@H]2C(C)C)o1 ZINC000336646833 635201960 /nfs/dbraw/zinc/20/19/60/635201960.db2.gz BODRAFFCDLDACG-QJPTWQEYSA-N 0 1 222.332 3.068 10 0 BGAEMN Cc1cnc([C@H](C)N[C@@H]2CC[C@H]2C(C)C)o1 ZINC000336646834 635201874 /nfs/dbraw/zinc/20/18/74/635201874.db2.gz BODRAFFCDLDACG-SDDRHHMPSA-N 0 1 222.332 3.068 10 0 BGAEMN Cc1cnc([C@H](C)N[C@H]2CC[C@H]2C(C)C)o1 ZINC000336646835 635200772 /nfs/dbraw/zinc/20/07/72/635200772.db2.gz BODRAFFCDLDACG-SRVKXCTJSA-N 0 1 222.332 3.068 10 0 BGAEMN Cc1cnc([C@H](C)N[C@H]2CC[C@@H]2C(C)C)o1 ZINC000336646836 635201373 /nfs/dbraw/zinc/20/13/73/635201373.db2.gz BODRAFFCDLDACG-TUAOUCFPSA-N 0 1 222.332 3.068 10 0 BGAEMN CCC[C@@H](C)NCc1nnc(C(C)(C)C)s1 ZINC000336671712 169370339 /nfs/dbraw/zinc/37/03/39/169370339.db2.gz ARHVHRUWWZKMEZ-SECBINFHSA-N 0 1 241.404 3.114 10 0 BGAEMN CCC[C@H](C)NCc1nnc(C(C)(C)C)s1 ZINC000336671714 386820729 /nfs/dbraw/zinc/82/07/29/386820729.db2.gz ARHVHRUWWZKMEZ-VIFPVBQESA-N 0 1 241.404 3.114 10 0 BGAEMN Cc1cnc([C@@H](C)N[C@@H](C)CCC2CC2)o1 ZINC000336746212 385926629 /nfs/dbraw/zinc/92/66/29/385926629.db2.gz RGDUWYWZBQJKJQ-GXSJLCMTSA-N 0 1 222.332 3.212 10 0 BGAEMN Cc1cnc([C@H](C)N[C@H](C)CCC2CC2)o1 ZINC000336746213 385926619 /nfs/dbraw/zinc/92/66/19/385926619.db2.gz RGDUWYWZBQJKJQ-KOLCDFICSA-N 0 1 222.332 3.212 10 0 BGAEMN Cc1cnc([C@@H](C)N[C@H](C)CCC2CC2)o1 ZINC000336746214 385926243 /nfs/dbraw/zinc/92/62/43/385926243.db2.gz RGDUWYWZBQJKJQ-MWLCHTKSSA-N 0 1 222.332 3.212 10 0 BGAEMN Cc1cnc([C@H](C)N[C@@H](C)CCC2CC2)o1 ZINC000336746215 179654638 /nfs/dbraw/zinc/65/46/38/179654638.db2.gz RGDUWYWZBQJKJQ-ONGXEEELSA-N 0 1 222.332 3.212 10 0 BGAEMN CC(C)c1nnc(N[C@H](C)C2CCCC2)s1 ZINC000336753432 386024461 /nfs/dbraw/zinc/02/44/61/386024461.db2.gz WILXNZNWMKKCPN-SECBINFHSA-N 0 1 239.388 3.074 10 0 BGAEMN Cc1nocc1CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000339296492 384984017 /nfs/dbraw/zinc/98/40/17/384984017.db2.gz BBZFQEGAKMVJHT-JTQLQIEISA-N 0 1 248.301 3.281 10 0 BGAEMN CCCc1nc(CNC2(C(C)C)CC2)cs1 ZINC000339502503 385002729 /nfs/dbraw/zinc/00/27/29/385002729.db2.gz CAEZSRUGCSXSPI-UHFFFAOYSA-N 0 1 238.400 3.374 10 0 BGAEMN Cc1c[nH]nc1C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000352809211 387501940 /nfs/dbraw/zinc/50/19/40/387501940.db2.gz GCKPJBHNNOLEKW-NSHDSACASA-N 0 1 247.317 3.016 10 0 BGAEMN CCc1ccc([C@@H](C)NCc2n[nH]cc2C)cc1 ZINC000352853807 386742016 /nfs/dbraw/zinc/74/20/16/386742016.db2.gz OWBCQGLNBJASAN-GFCCVEGCSA-N 0 1 243.354 3.131 10 0 BGAEMN CCc1ccc([C@H](C)NCc2n[nH]cc2C)cc1 ZINC000352853808 386743375 /nfs/dbraw/zinc/74/33/75/386743375.db2.gz OWBCQGLNBJASAN-LBPRGKRZSA-N 0 1 243.354 3.131 10 0 BGAEMN Cc1ccc([C@H](C)N[C@@H]2CCCc3n[nH]cc32)o1 ZINC000367616620 384935758 /nfs/dbraw/zinc/93/57/58/384935758.db2.gz LRAJJZYEBJJCEL-CMPLNLGQSA-N 0 1 245.326 3.039 10 0 BGAEMN Cc1ccc([C@H](C)N[C@H]2CCCc3n[nH]cc32)o1 ZINC000367616621 384934186 /nfs/dbraw/zinc/93/41/86/384934186.db2.gz LRAJJZYEBJJCEL-JQWIXIFHSA-N 0 1 245.326 3.039 10 0 BGAEMN Cc1ccc([C@@H](C)N[C@H]2CCCc3n[nH]cc32)o1 ZINC000367616622 384935477 /nfs/dbraw/zinc/93/54/77/384935477.db2.gz LRAJJZYEBJJCEL-PWSUYJOCSA-N 0 1 245.326 3.039 10 0 BGAEMN Cc1ccc([C@@H](C)N[C@@H]2CCCc3n[nH]cc32)o1 ZINC000367616623 384934571 /nfs/dbraw/zinc/93/45/71/384934571.db2.gz LRAJJZYEBJJCEL-ZYHUDNBSSA-N 0 1 245.326 3.039 10 0 BGAEMN CC1CCC(CNCC(C)(F)F)CC1 ZINC000378803767 387830644 /nfs/dbraw/zinc/83/06/44/387830644.db2.gz WOOIHPLTFIQWKW-UHFFFAOYSA-N 0 1 205.292 3.058 10 0 BGAEMN CCC[C@@H]1CCC[C@H]1NCC(C)(F)F ZINC000378875145 371023767 /nfs/dbraw/zinc/02/37/67/371023767.db2.gz YIKUKLYOMGENNQ-NXEZZACHSA-N 0 1 205.292 3.200 10 0 BGAEMN CCC[C@H]1CCC[C@@H]1NCC(C)(F)F ZINC000378875146 371024274 /nfs/dbraw/zinc/02/42/74/371024274.db2.gz YIKUKLYOMGENNQ-UWVGGRQHSA-N 0 1 205.292 3.200 10 0 BGAEMN CCC[C@H]1CCC[C@H]1NCC(C)(F)F ZINC000378875147 371023825 /nfs/dbraw/zinc/02/38/25/371023825.db2.gz YIKUKLYOMGENNQ-VHSXEESVSA-N 0 1 205.292 3.200 10 0 BGAEMN CCC[C@@H]1CCC[C@@H]1NCC(C)(F)F ZINC000378875148 371024501 /nfs/dbraw/zinc/02/45/01/371024501.db2.gz YIKUKLYOMGENNQ-ZJUUUORDSA-N 0 1 205.292 3.200 10 0 BGAEMN Cc1cnc([C@@H](C)NCC2(C)CCCC2)o1 ZINC000380771215 712903053 /nfs/dbraw/zinc/90/30/53/712903053.db2.gz YWHNQWFKKOQWFA-LLVKDONJSA-N 0 1 222.332 3.214 10 0 BGAEMN Cc1cnc([C@H](C)NCC2(C)CCCC2)o1 ZINC000380771218 712903104 /nfs/dbraw/zinc/90/31/04/712903104.db2.gz YWHNQWFKKOQWFA-NSHDSACASA-N 0 1 222.332 3.214 10 0 BGAEMN Cc1cc(CNCc2ccc(C)cn2)cs1 ZINC000381373530 398254601 /nfs/dbraw/zinc/25/46/01/398254601.db2.gz JRHBNKQSBZSCBT-UHFFFAOYSA-N 0 1 232.352 3.050 10 0 BGAEMN FCC[C@@H]1CCC[C@H]1N[C@H]1CCCC1(F)F ZINC000381481275 539001677 /nfs/dbraw/zinc/00/16/77/539001677.db2.gz DPSYXTCWTGXYBI-AXFHLTTASA-N 0 1 235.293 3.292 10 0 BGAEMN FCC[C@@H]1CCC[C@@H]1N[C@H]1CCCC1(F)F ZINC000381481277 538467722 /nfs/dbraw/zinc/46/77/22/538467722.db2.gz DPSYXTCWTGXYBI-DCAQKATOSA-N 0 1 235.293 3.292 10 0 BGAEMN FCC[C@@H]1CCC[C@@H]1N[C@@H]1CCCC1(F)F ZINC000381481279 538467786 /nfs/dbraw/zinc/46/77/86/538467786.db2.gz DPSYXTCWTGXYBI-GARJFASQSA-N 0 1 235.293 3.292 10 0 BGAEMN FCC[C@@H]1CCC[C@H]1N[C@@H]1CCCC1(F)F ZINC000381481280 538467977 /nfs/dbraw/zinc/46/79/77/538467977.db2.gz DPSYXTCWTGXYBI-HBNTYKKESA-N 0 1 235.293 3.292 10 0 BGAEMN Cc1cnc([C@@H](C)N[C@@H](C)CC(C)(C)C)o1 ZINC000385050579 344841231 /nfs/dbraw/zinc/84/12/31/344841231.db2.gz BQCRUCAOVOVUGL-GXSJLCMTSA-N 0 1 224.348 3.458 10 0 BGAEMN Cc1cnc([C@H](C)N[C@H](C)CC(C)(C)C)o1 ZINC000385050580 367779414 /nfs/dbraw/zinc/77/94/14/367779414.db2.gz BQCRUCAOVOVUGL-KOLCDFICSA-N 0 1 224.348 3.458 10 0 BGAEMN Cc1cnc([C@@H](C)N[C@H](C)CC(C)(C)C)o1 ZINC000385050581 367778438 /nfs/dbraw/zinc/77/84/38/367778438.db2.gz BQCRUCAOVOVUGL-MWLCHTKSSA-N 0 1 224.348 3.458 10 0 BGAEMN Cc1cnc([C@H](C)N[C@@H](C)CC(C)(C)C)o1 ZINC000385050582 367778779 /nfs/dbraw/zinc/77/87/79/367778779.db2.gz BQCRUCAOVOVUGL-ONGXEEELSA-N 0 1 224.348 3.458 10 0 BGAEMN CCC(C)(C)CCN[C@H](C)c1ncc(C)o1 ZINC000390459874 539022137 /nfs/dbraw/zinc/02/21/37/539022137.db2.gz FHCRVQAEVCSJLZ-LLVKDONJSA-N 0 1 224.348 3.460 10 0 BGAEMN CCC(C)(C)CCN[C@@H](C)c1ncc(C)o1 ZINC000390459875 539022030 /nfs/dbraw/zinc/02/20/30/539022030.db2.gz FHCRVQAEVCSJLZ-NSHDSACASA-N 0 1 224.348 3.460 10 0 BGAEMN CC1CCC(CNC(C)(C)C(F)F)CC1 ZINC000393630106 583089510 /nfs/dbraw/zinc/08/95/10/583089510.db2.gz IBXILXCAYOKQCI-UHFFFAOYSA-N 0 1 219.319 3.446 10 0 BGAEMN CCCCCC(=O)C(C)=C(O)C(C)(C)C ZINC000395458171 583058975 /nfs/dbraw/zinc/05/89/75/583058975.db2.gz KIDAWPPYXCASKX-JTQLQIEISA-N 0 1 212.333 3.387 10 0 BGAEMN CCCCCC(=O)C(C)=C(O)C(C)(C)C ZINC000395458176 583059088 /nfs/dbraw/zinc/05/90/88/583059088.db2.gz KIDAWPPYXCASKX-SNVBAGLBSA-N 0 1 212.333 3.387 10 0 BGAEMN CC(=O)c1c(Cl)c(O)ccc1C(F)(F)F ZINC000396146926 359808281 /nfs/dbraw/zinc/80/82/81/359808281.db2.gz KIYMHROQLNDUFI-UHFFFAOYSA-N 0 1 238.592 3.267 10 0 BGAEMN CC(=O)c1cc(O)c(Cl)cc1C(F)(F)F ZINC000396147118 344620468 /nfs/dbraw/zinc/62/04/68/344620468.db2.gz KVSBFLSUEHSDPI-UHFFFAOYSA-N 0 1 238.592 3.267 10 0 BGAEMN CC(=O)c1cc(Cl)cc(O)c1C(F)(F)F ZINC000396147151 344620449 /nfs/dbraw/zinc/62/04/49/344620449.db2.gz KYCOCZUVMHYLMJ-UHFFFAOYSA-N 0 1 238.592 3.267 10 0 BGAEMN CC(=O)c1cc(O)c(C(F)(F)F)c(Cl)c1 ZINC000396149476 344622901 /nfs/dbraw/zinc/62/29/01/344622901.db2.gz OKGUPIWYQIHNAK-UHFFFAOYSA-N 0 1 238.592 3.267 10 0 BGAEMN CC(=O)c1ccc(C(F)(F)F)c(Cl)c1O ZINC000396151303 344624215 /nfs/dbraw/zinc/62/42/15/344624215.db2.gz QXQZRZUNHAWHHH-UHFFFAOYSA-N 0 1 238.592 3.267 10 0 BGAEMN CC(=O)c1ccc(Cl)c(C(F)(F)F)c1O ZINC000396153442 344625602 /nfs/dbraw/zinc/62/56/02/344625602.db2.gz SVYPSIUBXCUFIP-UHFFFAOYSA-N 0 1 238.592 3.267 10 0 BGAEMN CC(=O)c1c(O)c(Cl)ccc1C(F)(F)F ZINC000396154164 344626205 /nfs/dbraw/zinc/62/62/05/344626205.db2.gz UBSFOZPIIDUYSG-UHFFFAOYSA-N 0 1 238.592 3.267 10 0 BGAEMN CC(=O)c1c(Cl)cc(O)cc1C(F)(F)F ZINC000396154863 344626560 /nfs/dbraw/zinc/62/65/60/344626560.db2.gz UVTXZUCMZMZWRI-UHFFFAOYSA-N 0 1 238.592 3.267 10 0 BGAEMN CC(=O)c1cc(O)c(Cl)c(C(F)(F)F)c1 ZINC000396154956 344626416 /nfs/dbraw/zinc/62/64/16/344626416.db2.gz VGZXSRNCRKZFNP-UHFFFAOYSA-N 0 1 238.592 3.267 10 0 BGAEMN CC(=O)c1c(Cl)ccc(O)c1C(F)(F)F ZINC000396155635 352500803 /nfs/dbraw/zinc/50/08/03/352500803.db2.gz VWNZMMXFNKGPPC-UHFFFAOYSA-N 0 1 238.592 3.267 10 0 BGAEMN CC(=O)c1cc(O)c(C(F)(F)F)cc1Cl ZINC000396155738 344627303 /nfs/dbraw/zinc/62/73/03/344627303.db2.gz WIPKCEDDKAGZLO-UHFFFAOYSA-N 0 1 238.592 3.267 10 0 BGAEMN CC(=O)c1cc(C(F)(F)F)cc(O)c1Cl ZINC000396157925 344629035 /nfs/dbraw/zinc/62/90/35/344629035.db2.gz ZTIZUDXETGGIEW-UHFFFAOYSA-N 0 1 238.592 3.267 10 0 BGAEMN Cc1cc([C@H]2NCCc3sccc32)cs1 ZINC000397159824 583097720 /nfs/dbraw/zinc/09/77/20/583097720.db2.gz SCPATNQDHRFVGE-GFCCVEGCSA-N 0 1 235.377 3.353 10 0 BGAEMN Cc1cc([C@@H]2NCCc3sccc32)cs1 ZINC000397159825 583097995 /nfs/dbraw/zinc/09/79/95/583097995.db2.gz SCPATNQDHRFVGE-LBPRGKRZSA-N 0 1 235.377 3.353 10 0 BGAEMN CC[C@H](N[C@@H](C)C(F)F)[C@@H]1CC1(C)C ZINC000397672655 362901148 /nfs/dbraw/zinc/90/11/48/362901148.db2.gz JNLLYXFLBXCJGC-CIUDSAMLSA-N 0 1 205.292 3.054 10 0 BGAEMN CC[C@H](N[C@H](C)C(F)F)[C@H]1CC1(C)C ZINC000397672657 362900738 /nfs/dbraw/zinc/90/07/38/362900738.db2.gz JNLLYXFLBXCJGC-HLTSFMKQSA-N 0 1 205.292 3.054 10 0 BGAEMN CC[C@H](N[C@H](C)C(F)F)[C@@H]1CC1(C)C ZINC000397672660 362901096 /nfs/dbraw/zinc/90/10/96/362901096.db2.gz JNLLYXFLBXCJGC-VGMNWLOBSA-N 0 1 205.292 3.054 10 0 BGAEMN CC[C@H](N[C@@H](C)C(F)F)[C@H]1CC1(C)C ZINC000397672662 362900866 /nfs/dbraw/zinc/90/08/66/362900866.db2.gz JNLLYXFLBXCJGC-YIZRAAEISA-N 0 1 205.292 3.054 10 0 BGAEMN CCCCCC(=O)C=C(O)[C@H]1CC1(C)C ZINC000397724935 583107955 /nfs/dbraw/zinc/10/79/55/583107955.db2.gz YITPFXKDCBZUME-LLVKDONJSA-N 0 1 210.317 3.141 10 0 BGAEMN CCCCCC(=O)C=C(O)[C@@H]1CC1(C)C ZINC000397724936 635137982 /nfs/dbraw/zinc/13/79/82/635137982.db2.gz YITPFXKDCBZUME-NSHDSACASA-N 0 1 210.317 3.141 10 0 BGAEMN Cc1nocc1CN[C@H](C)c1cccc(C)c1 ZINC000397958360 262941133 /nfs/dbraw/zinc/94/11/33/262941133.db2.gz SXMBYCBFISGHLK-LLVKDONJSA-N 0 1 230.311 3.142 10 0 BGAEMN CC[C@H](N[C@@H](C)c1csnn1)[C@H]1CC1(C)C ZINC000398376165 386817739 /nfs/dbraw/zinc/81/77/39/386817739.db2.gz LMNRFSRLCKIMQA-AEJSXWLSSA-N 0 1 239.388 3.013 10 0 BGAEMN CC[C@H](N[C@H](C)c1csnn1)[C@H]1CC1(C)C ZINC000398376167 386817669 /nfs/dbraw/zinc/81/76/69/386817669.db2.gz LMNRFSRLCKIMQA-BBBLOLIVSA-N 0 1 239.388 3.013 10 0 BGAEMN CC[C@H](N[C@@H](C)c1csnn1)[C@@H]1CC1(C)C ZINC000398376169 386818998 /nfs/dbraw/zinc/81/89/98/386818998.db2.gz LMNRFSRLCKIMQA-GUBZILKMSA-N 0 1 239.388 3.013 10 0 BGAEMN CC[C@H](N[C@H](C)c1csnn1)[C@@H]1CC1(C)C ZINC000398376171 386818197 /nfs/dbraw/zinc/81/81/97/386818197.db2.gz LMNRFSRLCKIMQA-UTLUCORTSA-N 0 1 239.388 3.013 10 0 BGAEMN Cc1sccc1CNCc1ccc(C)cn1 ZINC000400822258 384772185 /nfs/dbraw/zinc/77/21/85/384772185.db2.gz GHYMLPPDJFNVKJ-UHFFFAOYSA-N 0 1 232.352 3.050 10 0 BGAEMN Cc1ccc(CNCc2cc(C)ccc2C)nc1 ZINC000400825785 384772014 /nfs/dbraw/zinc/77/20/14/384772014.db2.gz AXAJMBSSMAATMP-UHFFFAOYSA-N 0 1 240.350 3.297 10 0 BGAEMN Cc1cnc([C@H](C)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000403715870 488134096 /nfs/dbraw/zinc/13/40/96/488134096.db2.gz YNPAMPIDZMYZAX-LOWDOPEQSA-N 0 1 234.343 3.070 10 0 BGAEMN Cc1cnc([C@H](C)NC[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000403715875 488133835 /nfs/dbraw/zinc/13/38/35/488133835.db2.gz YNPAMPIDZMYZAX-QNWHQSFQSA-N 0 1 234.343 3.070 10 0 BGAEMN Cc1cccc([C@@H](C)NCc2ccns2)c1 ZINC000404286735 398327010 /nfs/dbraw/zinc/32/70/10/398327010.db2.gz DBACGXXXDXZEHC-LLVKDONJSA-N 0 1 232.352 3.302 10 0 BGAEMN Cc1cccc([C@H](C)NCc2ccns2)c1 ZINC000404286736 398327056 /nfs/dbraw/zinc/32/70/56/398327056.db2.gz DBACGXXXDXZEHC-NSHDSACASA-N 0 1 232.352 3.302 10 0 BGAEMN Cc1ccccc1[C@H](C)NCc1ccns1 ZINC000404440157 351449883 /nfs/dbraw/zinc/44/98/83/351449883.db2.gz JJJINWGDWYAAEU-NSHDSACASA-N 0 1 232.352 3.302 10 0 BGAEMN C[C@H](NCc1ccns1)c1cccs1 ZINC000404447785 351459182 /nfs/dbraw/zinc/45/91/82/351459182.db2.gz DLSUEDQXIKHGCS-QMMMGPOBSA-N 0 1 224.354 3.055 10 0 BGAEMN Cc1cc(CN[C@H]2CCc3ccccc32)sn1 ZINC000404458326 385003182 /nfs/dbraw/zinc/00/31/82/385003182.db2.gz XTOMRHOMMLABMV-AWEZNQCLSA-N 0 1 244.363 3.229 10 0 BGAEMN Cc1cc(CN[C@H](C)c2cccs2)sn1 ZINC000404495915 385020744 /nfs/dbraw/zinc/02/07/44/385020744.db2.gz QOLCBKNTWOVSOD-SECBINFHSA-N 0 1 238.381 3.364 10 0 BGAEMN Cc1cc(CN[C@@H](C)c2cccs2)sn1 ZINC000404495917 385022042 /nfs/dbraw/zinc/02/20/42/385022042.db2.gz QOLCBKNTWOVSOD-VIFPVBQESA-N 0 1 238.381 3.364 10 0 BGAEMN Cc1cnc([C@@H](C)NCCC(C)(C)C2CC2)o1 ZINC000406054242 384633934 /nfs/dbraw/zinc/63/39/34/384633934.db2.gz FWHVXHZHMQGHIO-LLVKDONJSA-N 0 1 236.359 3.460 10 0 BGAEMN Cc1cnc([C@H](C)NCCC(C)(C)C2CC2)o1 ZINC000406054243 384634702 /nfs/dbraw/zinc/63/47/02/384634702.db2.gz FWHVXHZHMQGHIO-NSHDSACASA-N 0 1 236.359 3.460 10 0 BGAEMN Fc1ccc(-c2csc(C3=NCN=N3)n2)cc1 ZINC000521398930 388703956 /nfs/dbraw/zinc/70/39/56/388703956.db2.gz JSDVJXQDIWQCFV-ZHACJKMWSA-N 0 1 246.270 3.081 10 0 BGAEMN CC(C)C1(NCc2ncccc2Cl)CC1 ZINC000528513752 388540234 /nfs/dbraw/zinc/54/02/34/388540234.db2.gz VNXXNXPOBVUJEZ-UHFFFAOYSA-N 0 1 224.735 3.013 10 0 BGAEMN Oc1ccc(-c2ncccc2F)cc1Cl ZINC000536954430 323962395 /nfs/dbraw/zinc/96/23/95/323962395.db2.gz QAOYGXVRQGYHSL-UHFFFAOYSA-N 0 1 223.634 3.247 10 0 BGAEMN O=C([O-])c1[nH+]c(C2CCCCC2)c2ccccn21 ZINC000536960157 398199396 /nfs/dbraw/zinc/19/93/96/398199396.db2.gz WLLQARGATWJBSC-UHFFFAOYSA-N 0 1 244.294 3.080 10 0 BGAEMN CC(C)c1noc(CNC2(C3CCC3)CCC2)n1 ZINC000560603453 384252965 /nfs/dbraw/zinc/25/29/65/384252965.db2.gz TYUMAUZDDQUBHW-UHFFFAOYSA-N 0 1 249.358 3.005 10 0 BGAEMN C[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC000575191238 386978887 /nfs/dbraw/zinc/97/88/87/386978887.db2.gz TXYGLKNTZKAOIJ-NSHDSACASA-N 0 1 206.284 3.014 10 0 BGAEMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1F ZINC000575191243 386977643 /nfs/dbraw/zinc/97/76/43/386977643.db2.gz UGOQPVXEWFTOSJ-LLVKDONJSA-N 0 1 206.284 3.014 10 0 BGAEMN C[C@H]1CCCC[N@H+]1Cc1ccccc1F ZINC000575191244 386978094 /nfs/dbraw/zinc/97/80/94/386978094.db2.gz UGOQPVXEWFTOSJ-NSHDSACASA-N 0 1 206.284 3.014 10 0 BGAEMN c1scc2sc([C@@H]3NCCS3)cc12 ZINC000575465911 388836755 /nfs/dbraw/zinc/83/67/55/388836755.db2.gz HJSVDTYCPVGPJG-SECBINFHSA-N 0 1 227.379 3.298 10 0 BGAEMN c1scc2sc([C@H]3NCCS3)cc12 ZINC000575465918 388836189 /nfs/dbraw/zinc/83/61/89/388836189.db2.gz HJSVDTYCPVGPJG-VIFPVBQESA-N 0 1 227.379 3.298 10 0 BGAEMN N[C@@H](c1occc1Br)C1=CCCC1 ZINC000575507281 411297365 /nfs/dbraw/zinc/29/73/65/411297365.db2.gz LNHWJDSXDWQWIA-SECBINFHSA-N 0 1 242.116 3.152 10 0 BGAEMN N[C@H](c1occc1Br)C1=CCCC1 ZINC000575507282 387374706 /nfs/dbraw/zinc/37/47/06/387374706.db2.gz LNHWJDSXDWQWIA-VIFPVBQESA-N 0 1 242.116 3.152 10 0 BGAEMN Cc1nc(C2=NC(=S)SC2)sc1C ZINC000575549958 387650190 /nfs/dbraw/zinc/65/01/90/387650190.db2.gz QUZNIFZIYCSIQC-UHFFFAOYSA-N 0 1 228.367 3.172 10 0 BGAEMN S=c1[nH]c(-c2ccc(Cl)cn2)cs1 ZINC000575550522 387644219 /nfs/dbraw/zinc/64/42/19/387644219.db2.gz SQGLXNRLXXOMGD-UHFFFAOYSA-N 0 1 228.729 3.147 10 0 BGAEMN CC1(C)C[C@@H]1c1ncn(Cc2ccccc2)c1N ZINC000575581735 397984681 /nfs/dbraw/zinc/98/46/81/397984681.db2.gz WXEJIELBBSOTCN-GFCCVEGCSA-N 0 1 241.338 3.027 10 0 BGAEMN CC1(C)C[C@H]1c1ncn(Cc2ccccc2)c1N ZINC000575581736 397984843 /nfs/dbraw/zinc/98/48/43/397984843.db2.gz WXEJIELBBSOTCN-LBPRGKRZSA-N 0 1 241.338 3.027 10 0 BGAEMN C[C@@H]1C[C@@]1(C)[C@H](N)c1ccc(Br)o1 ZINC000575582374 386247710 /nfs/dbraw/zinc/24/77/10/386247710.db2.gz FIPVFAOPJYSTQT-BDODKLCJSA-N 0 1 244.132 3.088 10 0 BGAEMN C[C@@H]1C[C@]1(C)[C@H](N)c1ccc(Br)o1 ZINC000575582413 397984633 /nfs/dbraw/zinc/98/46/33/397984633.db2.gz FIPVFAOPJYSTQT-DRTBCBBWSA-N 0 1 244.132 3.088 10 0 BGAEMN C[C@@H]1C[C@]1(C)[C@@H](N)c1ccc(Br)o1 ZINC000575582414 386256858 /nfs/dbraw/zinc/25/68/58/386256858.db2.gz FIPVFAOPJYSTQT-UASFKTIASA-N 0 1 244.132 3.088 10 0 BGAEMN C[C@@H]1C[C@@]1(C)[C@@H](N)c1ccc(Br)o1 ZINC000575582415 397984639 /nfs/dbraw/zinc/98/46/39/397984639.db2.gz FIPVFAOPJYSTQT-WHFVKQHSSA-N 0 1 244.132 3.088 10 0 BGAEMN C[C@@H]1C[C@@]1(C)[C@H](N)c1occc1Br ZINC000575582852 387061216 /nfs/dbraw/zinc/06/12/16/387061216.db2.gz IKLDRYWSKLWPQR-BDODKLCJSA-N 0 1 244.132 3.088 10 0 BGAEMN S=C1N=NC(C2CC(Cc3ccccc3)C2)O1 ZINC000575601231 387362357 /nfs/dbraw/zinc/36/23/57/387362357.db2.gz QXFGBTBLIYYCLN-UHFFFAOYSA-N 0 1 246.335 3.095 10 0 BGAEMN CC(=O)c1cc(O)c(Cl)c(Br)c1 ZINC000575624189 387816261 /nfs/dbraw/zinc/81/62/61/387816261.db2.gz PMXBXBLDUHYNRG-UHFFFAOYSA-N 0 1 249.491 3.011 10 0 BGAEMN Oc1cc(OC(F)F)cc(F)c1C(F)(F)F ZINC000575658831 387048251 /nfs/dbraw/zinc/04/82/51/387048251.db2.gz JAAPCOISTYSFCE-UHFFFAOYSA-N 0 1 246.106 3.152 10 0 BGAEMN Oc1c(F)ccc(OC(F)F)c1C(F)(F)F ZINC000575660396 387054243 /nfs/dbraw/zinc/05/42/43/387054243.db2.gz YUVSJVOGHZJJMO-UHFFFAOYSA-N 0 1 246.106 3.152 10 0 BGAEMN Oc1c(F)c(OC(F)F)ccc1C(F)(F)F ZINC000575660411 387053840 /nfs/dbraw/zinc/05/38/40/387053840.db2.gz ZFIDLWVLPRBKIK-UHFFFAOYSA-N 0 1 246.106 3.152 10 0 BGAEMN Oc1cc(F)cc(OC(F)F)c1C(F)(F)F ZINC000575660412 387053813 /nfs/dbraw/zinc/05/38/13/387053813.db2.gz ZFWMMYQWZJHXBC-UHFFFAOYSA-N 0 1 246.106 3.152 10 0 BGAEMN O=Cc1ccc(C(F)F)c(O)c1C(F)(F)F ZINC000575669632 384456029 /nfs/dbraw/zinc/45/60/29/384456029.db2.gz GRMZATNGVWKFDC-UHFFFAOYSA-N 0 1 240.127 3.161 10 0 BGAEMN O=Cc1cc(C(F)F)cc(C(F)(F)F)c1O ZINC000575669791 384456321 /nfs/dbraw/zinc/45/63/21/384456321.db2.gz OCGCGTBZDVCYOU-UHFFFAOYSA-N 0 1 240.127 3.161 10 0 BGAEMN CC(=O)c1c(Cl)c(O)ccc1Br ZINC000575674587 387358401 /nfs/dbraw/zinc/35/84/01/387358401.db2.gz BYBSZTSSVKRARI-UHFFFAOYSA-N 0 1 249.491 3.011 10 0 BGAEMN CC(=O)c1c(O)c(Cl)ccc1Br ZINC000575675351 387357489 /nfs/dbraw/zinc/35/74/89/387357489.db2.gz INNSXPZVKGRCFF-UHFFFAOYSA-N 0 1 249.491 3.011 10 0 BGAEMN CC(=O)c1cc(O)c(Cl)cc1Br ZINC000575675490 387357909 /nfs/dbraw/zinc/35/79/09/387357909.db2.gz LLRYJCCYMMABIA-UHFFFAOYSA-N 0 1 249.491 3.011 10 0 BGAEMN CC(=O)c1c(Cl)ccc(Br)c1O ZINC000575675564 387356857 /nfs/dbraw/zinc/35/68/57/387356857.db2.gz NHNOKWCBNKMQAV-UHFFFAOYSA-N 0 1 249.491 3.011 10 0 BGAEMN CC(=O)c1c(Cl)ccc(O)c1Br ZINC000575675982 387357925 /nfs/dbraw/zinc/35/79/25/387357925.db2.gz ORWMNGHKNUUDCO-UHFFFAOYSA-N 0 1 249.491 3.011 10 0 BGAEMN CC(=O)c1cc(O)c(Br)cc1Cl ZINC000575676965 384483852 /nfs/dbraw/zinc/48/38/52/384483852.db2.gz XVLJQFRKECGZJE-UHFFFAOYSA-N 0 1 249.491 3.011 10 0 BGAEMN CC(=O)c1cc(Br)cc(O)c1Cl ZINC000575676967 384487359 /nfs/dbraw/zinc/48/73/59/384487359.db2.gz XWPWCTKHUHPGGH-UHFFFAOYSA-N 0 1 249.491 3.011 10 0 BGAEMN CC(=O)c1cc(Cl)cc(O)c1Br ZINC000575677218 387359447 /nfs/dbraw/zinc/35/94/47/387359447.db2.gz ZOHSRGWXWIJOBH-UHFFFAOYSA-N 0 1 249.491 3.011 10 0 BGAEMN CSc1cc(F)c(O)c(C(F)(F)F)c1 ZINC000575702701 387406726 /nfs/dbraw/zinc/40/67/26/387406726.db2.gz GOHONOAYFMKUMP-UHFFFAOYSA-N 0 1 226.194 3.272 10 0 BGAEMN CC(C)c1nnc(CNC2(C3CCC3)CCC2)o1 ZINC000581176716 367283665 /nfs/dbraw/zinc/28/36/65/367283665.db2.gz KJVVVWAGTADQSF-UHFFFAOYSA-N 0 1 249.358 3.005 10 0 BGAEMN CCc1cnc(CNC2(C3CCC3)CCC2)o1 ZINC000582831379 357410589 /nfs/dbraw/zinc/41/05/89/357410589.db2.gz UWMPLURFPCWNDD-UHFFFAOYSA-N 0 1 234.343 3.049 10 0 BGAEMN C=Cc1ccccc1[C@H](C)NC(=O)C(F)(F)F ZINC000584591022 358249076 /nfs/dbraw/zinc/24/90/76/358249076.db2.gz LEBCXESDKSBZHG-QMMMGPOBSA-N 0 1 243.228 3.069 10 0 BGAEMN CCCCO[P@@H](=O)CCCCC(C)=O ZINC000584600470 358257117 /nfs/dbraw/zinc/25/71/17/358257117.db2.gz DSEHXFLTDNLBLS-UHFFFAOYSA-N 0 1 220.249 3.037 10 0 BGAEMN Cc1ccc(ONC(=O)Oc2ccccc2)cc1 ZINC000584600864 358257521 /nfs/dbraw/zinc/25/75/21/358257521.db2.gz IRNYBCJTYLJQJO-UHFFFAOYSA-N 0 1 243.262 3.077 10 0 BGAEMN Cc1cc2[nH]ncc2cc1NC(=O)OC(C)(C)C ZINC000584601123 358257761 /nfs/dbraw/zinc/25/77/61/358257761.db2.gz RIWKLVSLBVMISA-UHFFFAOYSA-N 0 1 247.298 3.218 10 0 BGAEMN CCOP(=O)(OCC)[C@H](C)N1CCCCC1 ZINC000584601982 358259468 /nfs/dbraw/zinc/25/94/68/358259468.db2.gz FVNSBAGWHZKNDI-LLVKDONJSA-N 0 1 249.291 3.084 10 0 BGAEMN CCOP(=O)(OCC)[C@@H](C)N1CCCCC1 ZINC000584601984 358259587 /nfs/dbraw/zinc/25/95/87/358259587.db2.gz FVNSBAGWHZKNDI-NSHDSACASA-N 0 1 249.291 3.084 10 0 BGAEMN CCCOCC(=O)c1ccc(O)c2ccccc12 ZINC000584603843 358262452 /nfs/dbraw/zinc/26/24/52/358262452.db2.gz ZFJNRAYJCIZBTO-UHFFFAOYSA-N 0 1 244.290 3.155 10 0 BGAEMN O=C(c1ccc(Cl)cc1)[C@H]1CC2CCN1CC2 ZINC000584606564 358266071 /nfs/dbraw/zinc/26/60/71/358266071.db2.gz ZKTHBOJHFBLLRU-CYBMUJFWSA-N 0 1 249.741 3.007 10 0 BGAEMN O=C(c1ccc(Cl)cc1)[C@@H]1CC2CCN1CC2 ZINC000584606569 358266028 /nfs/dbraw/zinc/26/60/28/358266028.db2.gz ZKTHBOJHFBLLRU-ZDUSSCGKSA-N 0 1 249.741 3.007 10 0 BGAEMN CCCCCCn1ccc2cnc(CO)cc21 ZINC000584620218 358286863 /nfs/dbraw/zinc/28/68/63/358286863.db2.gz UEBLGVLMVPYMGY-UHFFFAOYSA-N 0 1 232.327 3.109 10 0 BGAEMN C=Cc1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000584629990 358299048 /nfs/dbraw/zinc/29/90/48/358299048.db2.gz WMULXCJIFNYXQZ-UHFFFAOYSA-N 0 1 204.660 3.373 10 0 BGAEMN CC(C)(C)Sc1nc(-c2ccccc2)n[nH]1 ZINC000584630725 358301037 /nfs/dbraw/zinc/30/10/37/358301037.db2.gz AWTCSSHSIXVVDX-UHFFFAOYSA-N 0 1 233.340 3.362 10 0 BGAEMN Oc1c(F)c(Cl)cc2c(F)cccc12 ZINC000584631179 358282025 /nfs/dbraw/zinc/28/20/25/358282025.db2.gz DOZJEHOTRZRXLO-UHFFFAOYSA-N 0 1 214.598 3.477 10 0 BGAEMN Oc1ccc2c3ccccc3oc2c1F ZINC000584632448 358315603 /nfs/dbraw/zinc/31/56/03/358315603.db2.gz QSBYLGOWUWDDBL-UHFFFAOYSA-N 0 1 202.184 3.431 10 0 BGAEMN C[C@@]12N[C@@H](Cc3ccccc31)c1ccc(F)cc12 ZINC000584638147 358323320 /nfs/dbraw/zinc/32/33/20/358323320.db2.gz UFYMQCRXXAAIBP-JKSUJKDBSA-N 0 1 239.293 3.290 10 0 BGAEMN Oc1ccc(F)c2sc(C(F)(F)F)nc21 ZINC000584642880 358327907 /nfs/dbraw/zinc/32/79/07/358327907.db2.gz DQRPXJYRTTWMKD-UHFFFAOYSA-N 0 1 237.177 3.160 10 0 BGAEMN Cc1c(-c2ccccc2)sc(=S)n1O ZINC000584658036 490178678 /nfs/dbraw/zinc/17/86/78/490178678.db2.gz XNPGLPSGKFSMDN-UHFFFAOYSA-N 0 1 223.322 3.492 10 0 BGAEMN O=C([O-])c1cc(C2CCCCC2)c2[nH+]ccn2c1 ZINC000584880383 343080771 /nfs/dbraw/zinc/08/07/71/343080771.db2.gz WKTWCQWUMNJZKN-UHFFFAOYSA-N 0 1 244.294 3.080 10 0 BGAEMN Cc1n[nH]c2c1c(Br)ccc2Cl ZINC000585672733 346652642 /nfs/dbraw/zinc/65/26/42/346652642.db2.gz WBOYJNGNJKDVGS-UHFFFAOYSA-N 0 1 245.507 3.287 10 0 BGAEMN CC(C)c1cc(-c2ccc(C=O)cc2)[nH]n1 ZINC000616575628 349093121 /nfs/dbraw/zinc/09/31/21/349093121.db2.gz BYWIBVVVNOGLLD-UHFFFAOYSA-N 0 1 214.268 3.013 10 0 BGAEMN CN1CCc2ccccc2[C@@H]1c1cccc(F)c1 ZINC000616587993 349464452 /nfs/dbraw/zinc/46/44/52/349464452.db2.gz NZNSVNOZYOAUCY-INIZCTEOSA-N 0 1 241.309 3.403 10 0 BGAEMN CCN1CCO[C@H](c2ccccc2Cl)CC1 ZINC000616595817 350611616 /nfs/dbraw/zinc/61/16/16/350611616.db2.gz YZQNQIPBIKNERV-ZDUSSCGKSA-N 0 1 239.746 3.123 10 0 BGAEMN CCN1CCO[C@@H](c2ccccc2Cl)CC1 ZINC000616595826 350611478 /nfs/dbraw/zinc/61/14/78/350611478.db2.gz YZQNQIPBIKNERV-CYBMUJFWSA-N 0 1 239.746 3.123 10 0 BGAEMN CC(C)N1c2ccccc2CC[C@@H]1c1cnc[nH]1 ZINC000616596358 350633474 /nfs/dbraw/zinc/63/34/74/350633474.db2.gz SABNMCLRCRONCR-OAHLLOKOSA-N 0 1 241.338 3.312 10 0 BGAEMN CCN1CCOCC[C@H]1c1cccc(Cl)c1 ZINC000616597116 350639528 /nfs/dbraw/zinc/63/95/28/350639528.db2.gz AQVQVFNYFXJMLV-ZDUSSCGKSA-N 0 1 239.746 3.123 10 0 BGAEMN CC[N@H+]1CCOCC[C@H]1c1cccc(Cl)c1 ZINC000616597116 350639524 /nfs/dbraw/zinc/63/95/24/350639524.db2.gz AQVQVFNYFXJMLV-ZDUSSCGKSA-N 0 1 239.746 3.123 10 0 BGAEMN CCN1CCOCC[C@@H]1c1cccc(Cl)c1 ZINC000616597521 350654444 /nfs/dbraw/zinc/65/44/44/350654444.db2.gz AQVQVFNYFXJMLV-CYBMUJFWSA-N 0 1 239.746 3.123 10 0 BGAEMN CCN1CCOCC[C@H]1c1ccc(Cl)cc1 ZINC000616597652 350652944 /nfs/dbraw/zinc/65/29/44/350652944.db2.gz GWNDMCWNKXUPKV-ZDUSSCGKSA-N 0 1 239.746 3.123 10 0 BGAEMN CCN1CCOCC[C@@H]1c1ccc(Cl)cc1 ZINC000616598148 350656542 /nfs/dbraw/zinc/65/65/42/350656542.db2.gz GWNDMCWNKXUPKV-CYBMUJFWSA-N 0 1 239.746 3.123 10 0 BGAEMN CCN1CCOCC[C@H]1c1ccccc1Cl ZINC000616598394 343519200 /nfs/dbraw/zinc/51/92/00/343519200.db2.gz QIWASYAKPRSGDT-ZDUSSCGKSA-N 0 1 239.746 3.123 10 0 BGAEMN CCN1CCCOC[C@@H]1c1cccc(Cl)c1 ZINC000616598508 350673084 /nfs/dbraw/zinc/67/30/84/350673084.db2.gz CPVQHUDKFFZALP-CYBMUJFWSA-N 0 1 239.746 3.123 10 0 BGAEMN CCN1CCCOC[C@@H]1c1ccc(Cl)cc1 ZINC000616599160 350726246 /nfs/dbraw/zinc/72/62/46/350726246.db2.gz IEEKPAJOEDHSGI-CYBMUJFWSA-N 0 1 239.746 3.123 10 0 BGAEMN CCN1CCOCC[C@@H]1c1ccccc1Cl ZINC000616599222 350737665 /nfs/dbraw/zinc/73/76/65/350737665.db2.gz QIWASYAKPRSGDT-CYBMUJFWSA-N 0 1 239.746 3.123 10 0 BGAEMN CCN1CCCOC[C@@H]1c1ccccc1Cl ZINC000616599828 350759355 /nfs/dbraw/zinc/75/93/55/350759355.db2.gz QFZPWGBPNZPXQH-CYBMUJFWSA-N 0 1 239.746 3.123 10 0 BGAEMN CC(C)(C)N1CCCCC[C@@H]1C(F)F ZINC000616605939 350796586 /nfs/dbraw/zinc/79/65/86/350796586.db2.gz RPDWJRVYNCTQIY-SECBINFHSA-N 0 1 205.292 3.295 10 0 BGAEMN c1nocc1[C@@H]1CCCN1Cc1ccccc1 ZINC000616606490 350798407 /nfs/dbraw/zinc/79/84/07/350798407.db2.gz DPTRESVBMPDZTH-AWEZNQCLSA-N 0 1 228.295 3.012 10 0 BGAEMN c1nocc1[C@H]1CCCN1Cc1ccccc1 ZINC000616606597 350798094 /nfs/dbraw/zinc/79/80/94/350798094.db2.gz DPTRESVBMPDZTH-CQSZACIVSA-N 0 1 228.295 3.012 10 0 BGAEMN c1ncc([C@@H]2CCCN2Cc2ccccc2)o1 ZINC000616607876 350801800 /nfs/dbraw/zinc/80/18/00/350801800.db2.gz STMBIPIAPYBCJO-ZDUSSCGKSA-N 0 1 228.295 3.012 10 0 BGAEMN c1cc([C@@H]2CCCN2Cc2ccccc2)on1 ZINC000616608004 350802617 /nfs/dbraw/zinc/80/26/17/350802617.db2.gz VYLFASZGFJRXON-ZDUSSCGKSA-N 0 1 228.295 3.012 10 0 BGAEMN c1ncc([C@H]2CCCN2Cc2ccccc2)o1 ZINC000616608041 350802893 /nfs/dbraw/zinc/80/28/93/350802893.db2.gz STMBIPIAPYBCJO-CYBMUJFWSA-N 0 1 228.295 3.012 10 0 BGAEMN c1cc([C@H]2CCCN2Cc2ccccc2)on1 ZINC000616608090 350803123 /nfs/dbraw/zinc/80/31/23/350803123.db2.gz VYLFASZGFJRXON-CYBMUJFWSA-N 0 1 228.295 3.012 10 0 BGAEMN CC(C)(C)[N@H+]1CCC[C@H]1c1ccccc1C(=O)[O-] ZINC000616608570 350805697 /nfs/dbraw/zinc/80/56/97/350805697.db2.gz YDZFMKABJFOLEA-ZDUSSCGKSA-N 0 1 247.338 3.320 10 0 BGAEMN CC(C)(C)[N@H+]1CCC[C@@H]1c1ccccc1C(=O)[O-] ZINC000616608636 350805520 /nfs/dbraw/zinc/80/55/20/350805520.db2.gz YDZFMKABJFOLEA-CYBMUJFWSA-N 0 1 247.338 3.320 10 0 BGAEMN c1nc([C@H]2CCCCN2Cc2ccccc2)c[nH]1 ZINC000616611366 350810802 /nfs/dbraw/zinc/81/08/02/350810802.db2.gz BEQSIGOJCRNHDU-OAHLLOKOSA-N 0 1 241.338 3.137 10 0 BGAEMN c1cc([C@H]2CCCCN2Cc2ccccc2)on1 ZINC000616612659 349574840 /nfs/dbraw/zinc/57/48/40/349574840.db2.gz LTYACNGTVSSUIU-CQSZACIVSA-N 0 1 242.322 3.402 10 0 BGAEMN c1nocc1[C@H]1CCCCN1Cc1ccccc1 ZINC000616613441 349837355 /nfs/dbraw/zinc/83/73/55/349837355.db2.gz YSNBKJRUYLMGSD-OAHLLOKOSA-N 0 1 242.322 3.402 10 0 BGAEMN CCOC(=O)c1ccccc1[C@H]1CCCCN1C ZINC000616613442 349837087 /nfs/dbraw/zinc/83/70/87/349837087.db2.gz YTJILRHFMDZIQD-CQSZACIVSA-N 0 1 247.338 3.020 10 0 BGAEMN c1ncc([C@H]2CCCCN2Cc2ccccc2)o1 ZINC000616613446 349836923 /nfs/dbraw/zinc/83/69/23/349836923.db2.gz YXRPYOPOJNUYGL-CQSZACIVSA-N 0 1 242.322 3.402 10 0 BGAEMN CC(C)[N@H+]1CCCC[C@@H]1c1ccccc1C(=O)[O-] ZINC000616613864 350816754 /nfs/dbraw/zinc/81/67/54/350816754.db2.gz CHXAVINUGJZNMY-CQSZACIVSA-N 0 1 247.338 3.320 10 0 BGAEMN CC(C)(C)N1CCCC[C@@H]1c1cocn1 ZINC000616614537 350835504 /nfs/dbraw/zinc/83/55/04/350835504.db2.gz UWGHFYDJDGEIFE-LLVKDONJSA-N 0 1 208.305 3.000 10 0 BGAEMN CC(C)(C)N1CCCC[C@@H]1c1ncco1 ZINC000616614910 350841765 /nfs/dbraw/zinc/84/17/65/350841765.db2.gz YZPGCUMPVVYAQH-SNVBAGLBSA-N 0 1 208.305 3.000 10 0 BGAEMN CC(C)[N@H+]1CCCC[C@H]1c1ccccc1C(=O)[O-] ZINC000616615102 350845309 /nfs/dbraw/zinc/84/53/09/350845309.db2.gz CHXAVINUGJZNMY-AWEZNQCLSA-N 0 1 247.338 3.320 10 0 BGAEMN CC[N@H+]1CCCC[C@H]1c1cccc(F)c1 ZINC000616615483 350847882 /nfs/dbraw/zinc/84/78/82/350847882.db2.gz NAPYNUJOIALOJQ-ZDUSSCGKSA-N 0 1 207.292 3.373 10 0 BGAEMN CC(C)(C)[N@H+]1CCCC[C@H]1c1cnco1 ZINC000616615506 350847951 /nfs/dbraw/zinc/84/79/51/350847951.db2.gz NZLKKKZCJGLQHL-JTQLQIEISA-N 0 1 208.305 3.000 10 0 BGAEMN C[N@H+]1CCCC[C@H]1c1ccccc1Cl ZINC000616615511 350847732 /nfs/dbraw/zinc/84/77/32/350847732.db2.gz OLCVGVNUWSVMHN-LBPRGKRZSA-N 0 1 209.720 3.497 10 0 BGAEMN CC(C)(C)N1CCCC[C@H]1c1cocn1 ZINC000616615834 350851226 /nfs/dbraw/zinc/85/12/26/350851226.db2.gz UWGHFYDJDGEIFE-NSHDSACASA-N 0 1 208.305 3.000 10 0 BGAEMN CCOC(=O)c1ccccc1[C@@H]1CCCCN1C ZINC000616616062 350853425 /nfs/dbraw/zinc/85/34/25/350853425.db2.gz YTJILRHFMDZIQD-AWEZNQCLSA-N 0 1 247.338 3.020 10 0 BGAEMN CC(C)(C)N1CCCC[C@H]1c1ncco1 ZINC000616616073 350853246 /nfs/dbraw/zinc/85/32/46/350853246.db2.gz YZPGCUMPVVYAQH-JTQLQIEISA-N 0 1 208.305 3.000 10 0 BGAEMN c1nc([C@@H]2CCCCN2Cc2ccccc2)c[nH]1 ZINC000616616212 350854595 /nfs/dbraw/zinc/85/45/95/350854595.db2.gz BEQSIGOJCRNHDU-HNNXBMFYSA-N 0 1 241.338 3.137 10 0 BGAEMN c1cc([C@@H]2CCCCN2Cc2ccccc2)on1 ZINC000616616637 350856910 /nfs/dbraw/zinc/85/69/10/350856910.db2.gz LTYACNGTVSSUIU-AWEZNQCLSA-N 0 1 242.322 3.402 10 0 BGAEMN c1nocc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000616616918 350858852 /nfs/dbraw/zinc/85/88/52/350858852.db2.gz YSNBKJRUYLMGSD-HNNXBMFYSA-N 0 1 242.322 3.402 10 0 BGAEMN c1ncc([C@@H]2CCCCN2Cc2ccccc2)o1 ZINC000616616919 350858419 /nfs/dbraw/zinc/85/84/19/350858419.db2.gz YXRPYOPOJNUYGL-AWEZNQCLSA-N 0 1 242.322 3.402 10 0 BGAEMN CC[N@H+]1CCC[C@@H](c2cccc(F)c2)C1 ZINC000616617143 350862363 /nfs/dbraw/zinc/86/23/63/350862363.db2.gz JBBIHGBVNKLZQU-GFCCVEGCSA-N 0 1 207.292 3.025 10 0 BGAEMN c1nc([C@H]2CCC[N@H+](Cc3ccccc3)C2)co1 ZINC000616618642 350921581 /nfs/dbraw/zinc/92/15/81/350921581.db2.gz GMIWKMKTDVJINZ-AWEZNQCLSA-N 0 1 242.322 3.054 10 0 BGAEMN CC[N@H+]1CCCCC[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000616621290 385748242 /nfs/dbraw/zinc/74/82/42/385748242.db2.gz MRBZNRZIWPSYPN-AWEZNQCLSA-N 0 1 247.338 3.322 10 0 BGAEMN CC(C)(C)N1CCCCC[C@H]1C(F)F ZINC000616621935 398207168 /nfs/dbraw/zinc/20/71/68/398207168.db2.gz RPDWJRVYNCTQIY-VIFPVBQESA-N 0 1 205.292 3.295 10 0 BGAEMN CC[N@H+]1CCCCC[C@H]1c1ccccc1C(=O)[O-] ZINC000616622129 398207235 /nfs/dbraw/zinc/20/72/35/398207235.db2.gz UVODQRVEWNABPG-AWEZNQCLSA-N 0 1 247.338 3.322 10 0 BGAEMN CC[N@H+]1CCCCC[C@H]1c1cccc(C(=O)[O-])c1 ZINC000616622151 398206892 /nfs/dbraw/zinc/20/68/92/398206892.db2.gz VCNXDPHJLXMROU-AWEZNQCLSA-N 0 1 247.338 3.322 10 0 BGAEMN CC[N@H+]1CCCCC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000616623237 351088711 /nfs/dbraw/zinc/08/87/11/351088711.db2.gz MRBZNRZIWPSYPN-CQSZACIVSA-N 0 1 247.338 3.322 10 0 BGAEMN CC[N@H+]1CCCCC[C@@H]1c1ccccc1C(=O)[O-] ZINC000616624026 351091336 /nfs/dbraw/zinc/09/13/36/351091336.db2.gz UVODQRVEWNABPG-CQSZACIVSA-N 0 1 247.338 3.322 10 0 BGAEMN CC[N@H+]1CCCCC[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000616624040 351090950 /nfs/dbraw/zinc/09/09/50/351090950.db2.gz VCNXDPHJLXMROU-CQSZACIVSA-N 0 1 247.338 3.322 10 0 BGAEMN CCN1CCCOC[C@H]1c1cccc(Cl)c1 ZINC000616648250 411412026 /nfs/dbraw/zinc/41/20/26/411412026.db2.gz CPVQHUDKFFZALP-ZDUSSCGKSA-N 0 1 239.746 3.123 10 0 BGAEMN CCN1CCCOC[C@H]1c1ccc(Cl)cc1 ZINC000616648972 411411615 /nfs/dbraw/zinc/41/16/15/411411615.db2.gz IEEKPAJOEDHSGI-ZDUSSCGKSA-N 0 1 239.746 3.123 10 0 BGAEMN CCN1CCCO[C@H](c2ccccc2Cl)C1 ZINC000616649907 351179991 /nfs/dbraw/zinc/17/99/91/351179991.db2.gz OZWYVHNAIQXVRU-ZDUSSCGKSA-N 0 1 239.746 3.123 10 0 BGAEMN CCN1CCCOC[C@H]1c1ccccc1Cl ZINC000616649940 351181017 /nfs/dbraw/zinc/18/10/17/351181017.db2.gz QFZPWGBPNZPXQH-ZDUSSCGKSA-N 0 1 239.746 3.123 10 0 BGAEMN CCN1CCCO[C@H](c2cccc(Cl)c2)C1 ZINC000616650179 351173166 /nfs/dbraw/zinc/17/31/66/351173166.db2.gz VZQVHTWIHUIBSX-ZDUSSCGKSA-N 0 1 239.746 3.123 10 0 BGAEMN CCN1CCCO[C@@H](c2ccccc2Cl)C1 ZINC000616653435 351186343 /nfs/dbraw/zinc/18/63/43/351186343.db2.gz OZWYVHNAIQXVRU-CYBMUJFWSA-N 0 1 239.746 3.123 10 0 BGAEMN CCN1CCCO[C@@H](c2cccc(Cl)c2)C1 ZINC000616653710 351193630 /nfs/dbraw/zinc/19/36/30/351193630.db2.gz VZQVHTWIHUIBSX-CYBMUJFWSA-N 0 1 239.746 3.123 10 0 BGAEMN CC(C)N1c2ccccc2CC[C@H]1c1cnc[nH]1 ZINC000616671192 351231899 /nfs/dbraw/zinc/23/18/99/351231899.db2.gz SABNMCLRCRONCR-HNNXBMFYSA-N 0 1 241.338 3.312 10 0 BGAEMN CC(C)N1CCc2ccccc2[C@H]1c1ccno1 ZINC000616678084 351245495 /nfs/dbraw/zinc/24/54/95/351245495.db2.gz AOAJPFKDQVKVIO-HNNXBMFYSA-N 0 1 242.322 3.031 10 0 BGAEMN CC(C)N1CCc2ccccc2[C@@H]1c1ccno1 ZINC000616678159 411413493 /nfs/dbraw/zinc/41/34/93/411413493.db2.gz AOAJPFKDQVKVIO-OAHLLOKOSA-N 0 1 242.322 3.031 10 0 BGAEMN CC(C)N1CCc2ccccc2[C@@H]1c1cnoc1 ZINC000616678521 351243827 /nfs/dbraw/zinc/24/38/27/351243827.db2.gz JCOJUIXTQHSECQ-HNNXBMFYSA-N 0 1 242.322 3.031 10 0 BGAEMN CC(C)N1CCc2ccccc2[C@H]1c1cnoc1 ZINC000616678547 351243883 /nfs/dbraw/zinc/24/38/83/351243883.db2.gz JCOJUIXTQHSECQ-OAHLLOKOSA-N 0 1 242.322 3.031 10 0 BGAEMN CC(C)N1CCc2ccccc2[C@@H]1c1cnco1 ZINC000616679191 351250081 /nfs/dbraw/zinc/25/00/81/351250081.db2.gz RNYZBBMIBFECQA-OAHLLOKOSA-N 0 1 242.322 3.031 10 0 BGAEMN CC(C)[N@H+]1CCc2ccccc2[C@@H]1c1cnco1 ZINC000616679191 351250079 /nfs/dbraw/zinc/25/00/79/351250079.db2.gz RNYZBBMIBFECQA-OAHLLOKOSA-N 0 1 242.322 3.031 10 0 BGAEMN CC(C)N1CCc2ccccc2[C@H]1c1cnco1 ZINC000616679341 351250387 /nfs/dbraw/zinc/25/03/87/351250387.db2.gz RNYZBBMIBFECQA-HNNXBMFYSA-N 0 1 242.322 3.031 10 0 BGAEMN CC(C)[N@H+]1CCc2ccccc2[C@H]1c1cnco1 ZINC000616679341 351250384 /nfs/dbraw/zinc/25/03/84/351250384.db2.gz RNYZBBMIBFECQA-HNNXBMFYSA-N 0 1 242.322 3.031 10 0 BGAEMN CC[N@H+]1CCc2ccccc2[C@@H]1c1ccccn1 ZINC000616679701 351246119 /nfs/dbraw/zinc/24/61/19/351246119.db2.gz YYUZTHXKIPHSSZ-MRXNPFEDSA-N 0 1 238.334 3.049 10 0 BGAEMN CN1CCc2ccccc2[C@H]1c1cccc(F)c1 ZINC000616679747 351246162 /nfs/dbraw/zinc/24/61/62/351246162.db2.gz NZNSVNOZYOAUCY-MRXNPFEDSA-N 0 1 241.309 3.403 10 0 BGAEMN C[N@H+]1CCc2ccccc2[C@H]1c1cccc(F)c1 ZINC000616679747 351246160 /nfs/dbraw/zinc/24/61/60/351246160.db2.gz NZNSVNOZYOAUCY-MRXNPFEDSA-N 0 1 241.309 3.403 10 0 BGAEMN CC[N@H+]1CCO[C@H](c2cccc(Cl)c2)CC1 ZINC000616686959 351257419 /nfs/dbraw/zinc/25/74/19/351257419.db2.gz NDBMXVWNTJQJBD-ZDUSSCGKSA-N 0 1 239.746 3.123 10 0 BGAEMN C[C@@H]1C[C@@H]1NCc1c(F)ccc(F)c1Cl ZINC000623402295 357052958 /nfs/dbraw/zinc/05/29/58/357052958.db2.gz FNHDRFSRGQRVGA-LDWIPMOCSA-N 0 1 231.673 3.116 10 0 BGAEMN C[C@@H]1C[C@H]1NCc1c(F)ccc(F)c1Cl ZINC000623402296 357052581 /nfs/dbraw/zinc/05/25/81/357052581.db2.gz FNHDRFSRGQRVGA-LHLIQPBNSA-N 0 1 231.673 3.116 10 0 BGAEMN C[C@H]1C[C@H]1NCc1c(F)ccc(F)c1Cl ZINC000623402297 357053291 /nfs/dbraw/zinc/05/32/91/357053291.db2.gz FNHDRFSRGQRVGA-QUBYGPBYSA-N 0 1 231.673 3.116 10 0 BGAEMN C[C@H]1C[C@@H]1NCc1c(F)ccc(F)c1Cl ZINC000623402298 357053185 /nfs/dbraw/zinc/05/31/85/357053185.db2.gz FNHDRFSRGQRVGA-WKEGUHRASA-N 0 1 231.673 3.116 10 0 BGAEMN CCC(F)(F)CNC1(C2CCC2)CCC1 ZINC000639670645 356586690 /nfs/dbraw/zinc/58/66/90/356586690.db2.gz FDAHJQSGYPHNPJ-UHFFFAOYSA-N 0 1 217.303 3.344 10 0 BGAEMN Cc1cnc([C@@H](C)NCCCC2CCC2)o1 ZINC000656691793 411330452 /nfs/dbraw/zinc/33/04/52/411330452.db2.gz XMAVIXOWPXNHFZ-LLVKDONJSA-N 0 1 222.332 3.214 10 0 BGAEMN Cc1cnc([C@H](C)NCCCC2CCC2)o1 ZINC000656691794 411330610 /nfs/dbraw/zinc/33/06/10/411330610.db2.gz XMAVIXOWPXNHFZ-NSHDSACASA-N 0 1 222.332 3.214 10 0 BGAEMN CC[C@@H](CN[C@H](C)c1ncc(C)o1)CC(F)F ZINC000660268567 411562556 /nfs/dbraw/zinc/56/25/56/411562556.db2.gz KBMMAMVPKVFBJK-NXEZZACHSA-N 0 1 246.301 3.315 10 0 BGAEMN CC[C@H](CN[C@@H](C)c1ncc(C)o1)CC(F)F ZINC000660268568 411562662 /nfs/dbraw/zinc/56/26/62/411562662.db2.gz KBMMAMVPKVFBJK-UWVGGRQHSA-N 0 1 246.301 3.315 10 0 BGAEMN CC[C@@H](CN[C@@H](C)c1ncc(C)o1)CC(F)F ZINC000660268569 411562378 /nfs/dbraw/zinc/56/23/78/411562378.db2.gz KBMMAMVPKVFBJK-VHSXEESVSA-N 0 1 246.301 3.315 10 0 BGAEMN CC[C@H](CN[C@H](C)c1ncc(C)o1)CC(F)F ZINC000660268571 411562462 /nfs/dbraw/zinc/56/24/62/411562462.db2.gz KBMMAMVPKVFBJK-ZJUUUORDSA-N 0 1 246.301 3.315 10 0 BGAEMN Cc1cc2c(C)ccc(C)c2n2c(=S)[nH]nc12 ZINC000665887178 487956148 /nfs/dbraw/zinc/95/61/48/487956148.db2.gz AQHCBBQWLVODKG-UHFFFAOYSA-N 0 1 243.335 3.096 10 0 BGAEMN COc1cc(C)nc(Nc2ccsc2)c1 ZINC000669381863 537997383 /nfs/dbraw/zinc/99/73/83/537997383.db2.gz YGYQVVACMLEBKZ-UHFFFAOYSA-N 0 1 220.297 3.204 10 0 BGAEMN CC1=NN(C)C(=O)C1c1ccc(C)cc1Cl ZINC000675053315 537862868 /nfs/dbraw/zinc/86/28/68/537862868.db2.gz GGECGZSAHSWLOT-UHFFFAOYSA-N 0 1 236.702 3.063 10 0 BGAEMN CCC(C)(C)[C@@H]1CCc2cc(N)ncc2C1 ZINC000675064230 541466382 /nfs/dbraw/zinc/46/63/82/541466382.db2.gz XUSVHYFOFVUTOZ-GFCCVEGCSA-N 0 1 218.344 3.205 10 0 BGAEMN CCC(C)(C)[C@H]1CCc2cc(N)ncc2C1 ZINC000675064232 541466300 /nfs/dbraw/zinc/46/63/00/541466300.db2.gz XUSVHYFOFVUTOZ-LBPRGKRZSA-N 0 1 218.344 3.205 10 0 BGAEMN Cc1cc(-c2cc(C)c(C=O)cc2C)cc(N)n1 ZINC000675072813 538503974 /nfs/dbraw/zinc/50/39/74/538503974.db2.gz MVFYEYHPUPZTFJ-UHFFFAOYSA-N 0 1 240.306 3.069 10 0 BGAEMN CC(C)(C)[C@@H]1CCCc2sc(CN)nc21 ZINC000675076247 538510712 /nfs/dbraw/zinc/51/07/12/538510712.db2.gz MDPFQVGOZGUFLG-MRVPVSSYSA-N 0 1 224.373 3.068 10 0 BGAEMN CC(C)(C)[C@H]1CCCc2sc(CN)nc21 ZINC000675076248 538510800 /nfs/dbraw/zinc/51/08/00/538510800.db2.gz MDPFQVGOZGUFLG-QMMMGPOBSA-N 0 1 224.373 3.068 10 0 BGAEMN Cc1cnc([C@@H](C)NC2CCC(F)(F)CC2)o1 ZINC000678352620 488245573 /nfs/dbraw/zinc/24/55/73/488245573.db2.gz KUHRNFOCAGRYHU-SECBINFHSA-N 0 1 244.285 3.212 10 0 BGAEMN Cc1cnc([C@H](C)NC2CCC(F)(F)CC2)o1 ZINC000678352621 488245726 /nfs/dbraw/zinc/24/57/26/488245726.db2.gz KUHRNFOCAGRYHU-VIFPVBQESA-N 0 1 244.285 3.212 10 0 BGAEMN CC(C)Cc1[nH]nc2c1C[C@H](C(C)C)CC2 ZINC000685952405 538896533 /nfs/dbraw/zinc/89/65/33/538896533.db2.gz JQIRBELFIPJTAY-LLVKDONJSA-N 0 1 220.360 3.369 10 0 BGAEMN CC(C)Cc1[nH]nc2c1C[C@@H](C(C)C)CC2 ZINC000685952406 538896511 /nfs/dbraw/zinc/89/65/11/538896511.db2.gz JQIRBELFIPJTAY-NSHDSACASA-N 0 1 220.360 3.369 10 0 BGAEMN CCC(C)(C)[C@H]1CCc2[nH]nc(C)c2C1 ZINC000685952623 538896770 /nfs/dbraw/zinc/89/67/70/538896770.db2.gz OIRKWGODNNFMBW-JTQLQIEISA-N 0 1 206.333 3.259 10 0 BGAEMN CCC(C)(C)[C@@H]1CCc2[nH]nc(C)c2C1 ZINC000685952630 538896743 /nfs/dbraw/zinc/89/67/43/538896743.db2.gz OIRKWGODNNFMBW-SNVBAGLBSA-N 0 1 206.333 3.259 10 0 BGAEMN CC(C)Cc1[nH]nc2c1CC(C)(C)CC2 ZINC000685952764 538896683 /nfs/dbraw/zinc/89/66/83/538896683.db2.gz PWBVOFCLXFBHRJ-UHFFFAOYSA-N 0 1 206.333 3.123 10 0 BGAEMN CCCCc1[nH]nc2c1CC(C)(C)CC2 ZINC000685953118 538897463 /nfs/dbraw/zinc/89/74/63/538897463.db2.gz SJULYSLLHHIEAX-UHFFFAOYSA-N 0 1 206.333 3.267 10 0 BGAEMN Fc1cccc(-c2[nH]nc3c2CSCC3)c1 ZINC000685953147 538897286 /nfs/dbraw/zinc/89/72/86/538897286.db2.gz SQPZHFLZNSUZJF-UHFFFAOYSA-N 0 1 234.299 3.005 10 0 BGAEMN CCCCc1[nH]nc2c1C[C@@H](CC)CC2 ZINC000685953318 538897250 /nfs/dbraw/zinc/89/72/50/538897250.db2.gz VTZQIJGERCGYSD-JTQLQIEISA-N 0 1 206.333 3.267 10 0 BGAEMN CCCCc1[nH]nc2c1C[C@H](CC)CC2 ZINC000685953320 538897246 /nfs/dbraw/zinc/89/72/46/538897246.db2.gz VTZQIJGERCGYSD-SNVBAGLBSA-N 0 1 206.333 3.267 10 0 BGAEMN CCCN1CCC(=O)[C@@]12CCCC(C)(C)C2 ZINC000685953422 538897870 /nfs/dbraw/zinc/89/78/70/538897870.db2.gz HDLQWOFGYHMYIL-AWEZNQCLSA-N 0 1 223.360 3.010 10 0 BGAEMN CCCN1CCC(=O)[C@]12CCCC(C)(C)C2 ZINC000685953424 538897898 /nfs/dbraw/zinc/89/78/98/538897898.db2.gz HDLQWOFGYHMYIL-CQSZACIVSA-N 0 1 223.360 3.010 10 0 BGAEMN CCc1[nH]nc2c1C[C@H](C(C)(C)C)CC2 ZINC000685953718 538898857 /nfs/dbraw/zinc/89/88/57/538898857.db2.gz ZCUXWWGYVYGYDZ-SECBINFHSA-N 0 1 206.333 3.123 10 0 BGAEMN CCc1[nH]nc2c1C[C@@H](C(C)(C)C)CC2 ZINC000685953720 538898617 /nfs/dbraw/zinc/89/86/17/538898617.db2.gz ZCUXWWGYVYGYDZ-VIFPVBQESA-N 0 1 206.333 3.123 10 0 BGAEMN CCCN1CCC(=O)C12CCC(CC)CC2 ZINC000685954360 538897186 /nfs/dbraw/zinc/89/71/86/538897186.db2.gz MGHVILOXRRMYOI-UHFFFAOYSA-N 0 1 223.360 3.010 10 0 BGAEMN CC(C)N1CCC(=O)[C@@]12CCCC(C)(C)C2 ZINC000685954863 538900017 /nfs/dbraw/zinc/90/00/17/538900017.db2.gz QCXGXPZSSGJHNL-AWEZNQCLSA-N 0 1 223.360 3.009 10 0 BGAEMN CC(C)N1CCC(=O)[C@]12CCCC(C)(C)C2 ZINC000685954872 538899669 /nfs/dbraw/zinc/89/96/69/538899669.db2.gz QCXGXPZSSGJHNL-CQSZACIVSA-N 0 1 223.360 3.009 10 0 BGAEMN CCC1CCC2(CC1)C(=O)CCN2C(C)C ZINC000685955070 538899613 /nfs/dbraw/zinc/89/96/13/538899613.db2.gz SEHGKLQTMDZLEB-UHFFFAOYSA-N 0 1 223.360 3.009 10 0 BGAEMN CC(C)N1CCC(=O)C12CCC(C)(C)CC2 ZINC000685955099 538899895 /nfs/dbraw/zinc/89/98/95/538899895.db2.gz SXCFNZABTJZBRO-UHFFFAOYSA-N 0 1 223.360 3.009 10 0 BGAEMN CCCN1CCC(=O)C12CCC(C)(C)CC2 ZINC000685955209 538900735 /nfs/dbraw/zinc/90/07/35/538900735.db2.gz WELPVSUKNSLEJF-UHFFFAOYSA-N 0 1 223.360 3.010 10 0 BGAEMN CCC(C)(CC)C(=O)CNCc1ccccc1 ZINC000685958541 538905797 /nfs/dbraw/zinc/90/57/97/538905797.db2.gz OUJIMINYFVWSNY-UHFFFAOYSA-N 0 1 233.355 3.172 10 0 BGAEMN C[C@H](CC(=O)CNCc1ccccc1)C(C)(C)C ZINC000685959393 538906817 /nfs/dbraw/zinc/90/68/17/538906817.db2.gz UGDFFWAMONXPPB-CYBMUJFWSA-N 0 1 247.382 3.418 10 0 BGAEMN C[C@@H](CC(=O)CNCc1ccccc1)C(C)(C)C ZINC000685959394 538906715 /nfs/dbraw/zinc/90/67/15/538906715.db2.gz UGDFFWAMONXPPB-ZDUSSCGKSA-N 0 1 247.382 3.418 10 0 BGAEMN CC(C)=C(C)CCC(=O)CNCc1ccccc1 ZINC000685959631 538906676 /nfs/dbraw/zinc/90/66/76/538906676.db2.gz MEWPTAWRUYJFGC-UHFFFAOYSA-N 0 1 245.366 3.482 10 0 BGAEMN CCC[C@@H](C)CC(=O)CNCc1ccccc1 ZINC000685960256 538907749 /nfs/dbraw/zinc/90/77/49/538907749.db2.gz AOPUVILMVZSTTB-CYBMUJFWSA-N 0 1 233.355 3.172 10 0 BGAEMN CCC[C@H](C)CC(=O)CNCc1ccccc1 ZINC000685960257 538907779 /nfs/dbraw/zinc/90/77/79/538907779.db2.gz AOPUVILMVZSTTB-ZDUSSCGKSA-N 0 1 233.355 3.172 10 0 BGAEMN CCCCCCC(=O)CNCc1ccccc1 ZINC000685960390 538907646 /nfs/dbraw/zinc/90/76/46/538907646.db2.gz ILSDMYRGTNWOME-UHFFFAOYSA-N 0 1 233.355 3.316 10 0 BGAEMN CCC(CC)CC(=O)CNCc1ccccc1 ZINC000685960422 537944050 /nfs/dbraw/zinc/94/40/50/537944050.db2.gz KNLUYVBZDNMRFD-UHFFFAOYSA-N 0 1 233.355 3.172 10 0 BGAEMN CC(C)(C)CCC(=O)CNCc1ccccc1 ZINC000685960489 538907743 /nfs/dbraw/zinc/90/77/43/538907743.db2.gz MWAPFDRHCQDGFL-UHFFFAOYSA-N 0 1 233.355 3.172 10 0 BGAEMN CC[C@@H](C)[C@@H](C)C(=O)CNCc1ccccc1 ZINC000685960597 538907789 /nfs/dbraw/zinc/90/77/89/538907789.db2.gz UIMIQPGHXQXDFN-CHWSQXEVSA-N 0 1 233.355 3.028 10 0 BGAEMN CC[C@@H](C)[C@H](C)C(=O)CNCc1ccccc1 ZINC000685960598 538907872 /nfs/dbraw/zinc/90/78/72/538907872.db2.gz UIMIQPGHXQXDFN-OLZOCXBDSA-N 0 1 233.355 3.028 10 0 BGAEMN CC[C@H](C)[C@@H](C)C(=O)CNCc1ccccc1 ZINC000685960599 538907573 /nfs/dbraw/zinc/90/75/73/538907573.db2.gz UIMIQPGHXQXDFN-QWHCGFSZSA-N 0 1 233.355 3.028 10 0 BGAEMN CC[C@H](C)[C@H](C)C(=O)CNCc1ccccc1 ZINC000685960600 538907727 /nfs/dbraw/zinc/90/77/27/538907727.db2.gz UIMIQPGHXQXDFN-STQMWFEESA-N 0 1 233.355 3.028 10 0 BGAEMN CC(C)C[C@H](C)CC(=O)CNCc1ccccc1 ZINC000685960616 538907900 /nfs/dbraw/zinc/90/79/00/538907900.db2.gz UYMHYDBNFZNCMR-AWEZNQCLSA-N 0 1 247.382 3.418 10 0 BGAEMN CC(C)C[C@@H](C)CC(=O)CNCc1ccccc1 ZINC000685960617 538907840 /nfs/dbraw/zinc/90/78/40/538907840.db2.gz UYMHYDBNFZNCMR-CQSZACIVSA-N 0 1 247.382 3.418 10 0 BGAEMN CC(C)C[C@@H](C)C(=O)CNCc1ccccc1 ZINC000685960619 538907831 /nfs/dbraw/zinc/90/78/31/538907831.db2.gz UZCHGDXMMONFEB-CYBMUJFWSA-N 0 1 233.355 3.028 10 0 BGAEMN CC(C)C[C@H](C)C(=O)CNCc1ccccc1 ZINC000685960620 538907497 /nfs/dbraw/zinc/90/74/97/538907497.db2.gz UZCHGDXMMONFEB-ZDUSSCGKSA-N 0 1 233.355 3.028 10 0 BGAEMN CC(C)CCCC(=O)CNCc1ccccc1 ZINC000685960672 538907467 /nfs/dbraw/zinc/90/74/67/538907467.db2.gz YAMBRSIVEVWKKP-UHFFFAOYSA-N 0 1 233.355 3.172 10 0 BGAEMN CC(C)C(C)(C)CC(=O)CNCc1ccccc1 ZINC000685961236 538908240 /nfs/dbraw/zinc/90/82/40/538908240.db2.gz DUXBXWCHVGEGEX-UHFFFAOYSA-N 0 1 247.382 3.418 10 0 BGAEMN CCC(C)(C)CC(=O)CNCc1ccccc1 ZINC000685961888 538909032 /nfs/dbraw/zinc/90/90/32/538909032.db2.gz PTELWQALGTWLSN-UHFFFAOYSA-N 0 1 233.355 3.172 10 0 BGAEMN CC(C)=CCCC(=O)CNCc1ccccc1 ZINC000685962119 538909355 /nfs/dbraw/zinc/90/93/55/538909355.db2.gz UWCUXZWZHAAWIZ-UHFFFAOYSA-N 0 1 231.339 3.092 10 0 BGAEMN Cc1cc([C@H]2NCCc3ccoc32)c(C)s1 ZINC000701332479 582916206 /nfs/dbraw/zinc/91/62/06/582916206.db2.gz BRLYLCWOXLDZSF-GFCCVEGCSA-N 0 1 233.336 3.193 10 0 BGAEMN Cc1cc([C@@H]2NCCc3ccoc32)c(C)s1 ZINC000701332480 582916626 /nfs/dbraw/zinc/91/66/26/582916626.db2.gz BRLYLCWOXLDZSF-LBPRGKRZSA-N 0 1 233.336 3.193 10 0 BGAEMN Cc1ccc([C@@H](C)N[C@H](C)C2(Cl)CC2)o1 ZINC000702309592 712043994 /nfs/dbraw/zinc/04/39/94/712043994.db2.gz AFLZFZTVKRLSPA-NXEZZACHSA-N 0 1 227.735 3.399 10 0 BGAEMN Cc1ccc([C@H](C)N[C@@H](C)C2(Cl)CC2)o1 ZINC000702309593 712044333 /nfs/dbraw/zinc/04/43/33/712044333.db2.gz AFLZFZTVKRLSPA-UWVGGRQHSA-N 0 1 227.735 3.399 10 0 BGAEMN Cc1ccc([C@H](C)N[C@H](C)C2(Cl)CC2)o1 ZINC000702309594 712043746 /nfs/dbraw/zinc/04/37/46/712043746.db2.gz AFLZFZTVKRLSPA-VHSXEESVSA-N 0 1 227.735 3.399 10 0 BGAEMN Cc1ccc([C@@H](C)N[C@@H](C)C2(Cl)CC2)o1 ZINC000702309595 712043921 /nfs/dbraw/zinc/04/39/21/712043921.db2.gz AFLZFZTVKRLSPA-ZJUUUORDSA-N 0 1 227.735 3.399 10 0 BGAEMN Cc1ccccc1[C@H](C)N[C@H](C)c1cn(C)cn1 ZINC000709974958 712235922 /nfs/dbraw/zinc/23/59/22/712235922.db2.gz DTCSLKAAJOEIGT-QWHCGFSZSA-N 0 1 243.354 3.140 10 0 BGAEMN Cc1ccccc1[C@H](C)N[C@@H](C)c1cn(C)cn1 ZINC000709974959 712236056 /nfs/dbraw/zinc/23/60/56/712236056.db2.gz DTCSLKAAJOEIGT-STQMWFEESA-N 0 1 243.354 3.140 10 0 BGAEMN Cc1cccc([C@@H](C)N[C@H](C)c2cn(C)cn2)c1 ZINC000709977404 712236655 /nfs/dbraw/zinc/23/66/55/712236655.db2.gz SITHHVZBBKLLML-CHWSQXEVSA-N 0 1 243.354 3.140 10 0 BGAEMN Cc1cccc([C@@H](C)N[C@@H](C)c2cn(C)cn2)c1 ZINC000709977406 712236759 /nfs/dbraw/zinc/23/67/59/712236759.db2.gz SITHHVZBBKLLML-OLZOCXBDSA-N 0 1 243.354 3.140 10 0 BGAEMN Cc1cccc([C@H](C)N[C@H](C)c2cn(C)cn2)c1 ZINC000709977407 712236527 /nfs/dbraw/zinc/23/65/27/712236527.db2.gz SITHHVZBBKLLML-QWHCGFSZSA-N 0 1 243.354 3.140 10 0 BGAEMN Cc1cccc([C@H](C)N[C@@H](C)c2cn(C)cn2)c1 ZINC000709977409 712236582 /nfs/dbraw/zinc/23/65/82/712236582.db2.gz SITHHVZBBKLLML-STQMWFEESA-N 0 1 243.354 3.140 10 0 BGAEMN CCCC1CCC2(CC1)C(=O)CCN2CCC ZINC000711950270 537830466 /nfs/dbraw/zinc/83/04/66/537830466.db2.gz IWWXRRLUXRTNME-UHFFFAOYSA-N 0 1 237.387 3.400 10 0 BGAEMN CC(C)[N@H+]1CCC(=O)[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000712043885 537784612 /nfs/dbraw/zinc/78/46/12/537784612.db2.gz CYZWNXCIKTZVEB-DOMZBBRYSA-N 0 1 237.387 3.255 10 0 BGAEMN CC(C)[N@H+]1CCC(=O)[C@]12C[C@H](C)CC(C)(C)C2 ZINC000712043887 537783785 /nfs/dbraw/zinc/78/37/85/537783785.db2.gz CYZWNXCIKTZVEB-IUODEOHRSA-N 0 1 237.387 3.255 10 0 BGAEMN CC(C)[N@H+]1CCC(=O)[C@]12C[C@@H](C)CC(C)(C)C2 ZINC000712043889 537784137 /nfs/dbraw/zinc/78/41/37/537784137.db2.gz CYZWNXCIKTZVEB-SWLSCSKDSA-N 0 1 237.387 3.255 10 0 BGAEMN CC(C)[N@H+]1CCC(=O)[C@@]12C[C@@H](C)CC(C)(C)C2 ZINC000712043891 537785092 /nfs/dbraw/zinc/78/50/92/537785092.db2.gz CYZWNXCIKTZVEB-WFASDCNBSA-N 0 1 237.387 3.255 10 0 BGAEMN CCC[N@H+]1CCC(=O)[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000712067269 537784467 /nfs/dbraw/zinc/78/44/67/537784467.db2.gz IPYMLOWJJULABP-DOMZBBRYSA-N 0 1 237.387 3.256 10 0 BGAEMN CCC[N@H+]1CCC(=O)[C@]12C[C@H](C)CC(C)(C)C2 ZINC000712067270 537784386 /nfs/dbraw/zinc/78/43/86/537784386.db2.gz IPYMLOWJJULABP-IUODEOHRSA-N 0 1 237.387 3.256 10 0 BGAEMN CCC[N@H+]1CCC(=O)[C@]12C[C@@H](C)CC(C)(C)C2 ZINC000712067272 537784479 /nfs/dbraw/zinc/78/44/79/537784479.db2.gz IPYMLOWJJULABP-SWLSCSKDSA-N 0 1 237.387 3.256 10 0 BGAEMN CCC[N@H+]1CCC(=O)[C@@]12C[C@@H](C)CC(C)(C)C2 ZINC000712067274 537783868 /nfs/dbraw/zinc/78/38/68/537783868.db2.gz IPYMLOWJJULABP-WFASDCNBSA-N 0 1 237.387 3.256 10 0 BGAEMN CCN1CCC(=O)C12CC(C)(C)CC(C)(C)C2 ZINC000712104325 537783682 /nfs/dbraw/zinc/78/36/82/537783682.db2.gz AXNZXXFOHGASIF-UHFFFAOYSA-N 0 1 237.387 3.256 10 0 BGAEMN CC[N@H+]1CCC(=O)C12CC(C)(C)CC(C)(C)C2 ZINC000712104325 537783674 /nfs/dbraw/zinc/78/36/74/537783674.db2.gz AXNZXXFOHGASIF-UHFFFAOYSA-N 0 1 237.387 3.256 10 0 BGAEMN CCc1ccc([C@H]2NCCc3ccsc32)o1 ZINC000712590912 537795591 /nfs/dbraw/zinc/79/55/91/537795591.db2.gz PJADSRMYLUHQHX-GFCCVEGCSA-N 0 1 233.336 3.139 10 0 BGAEMN CCc1ccc([C@@H]2NCCc3ccsc32)o1 ZINC000712590914 537794910 /nfs/dbraw/zinc/79/49/10/537794910.db2.gz PJADSRMYLUHQHX-LBPRGKRZSA-N 0 1 233.336 3.139 10 0 BGAEMN Cc1cnc([C@H](C)NCC[C@@H]2C[C@H]2C2CC2)o1 ZINC000714796076 712498206 /nfs/dbraw/zinc/49/82/06/712498206.db2.gz BJBNXXUNCRDPMU-UHTWSYAYSA-N 0 1 234.343 3.070 10 0 BGAEMN Cc1cnc([C@@H](C)NCC[C@@H]2C[C@H]2C2CC2)o1 ZINC000714930419 712500616 /nfs/dbraw/zinc/50/06/16/712500616.db2.gz BJBNXXUNCRDPMU-RTXFEEFZSA-N 0 1 234.343 3.070 10 0 BGAEMN Cc1coc(CN[C@H]2CCc3ccccc32)c1 ZINC000718097052 712742704 /nfs/dbraw/zinc/74/27/04/712742704.db2.gz JYHOMGAVOAXQPV-HNNXBMFYSA-N 0 1 227.307 3.365 10 0 BGAEMN Cc1cnc([C@@H](C)NCCCC(C)(F)F)o1 ZINC000718335569 712755356 /nfs/dbraw/zinc/75/53/56/712755356.db2.gz BDWQAOFSQWJLNE-SECBINFHSA-N 0 1 232.274 3.069 10 0 BGAEMN Cc1cnc([C@H](C)NCCCC(C)(F)F)o1 ZINC000718335570 712755310 /nfs/dbraw/zinc/75/53/10/712755310.db2.gz BDWQAOFSQWJLNE-VIFPVBQESA-N 0 1 232.274 3.069 10 0 BGAEMN CCCC(O)=C1CCCCC(C)(C)C1=O ZINC000719287322 537932247 /nfs/dbraw/zinc/93/22/47/537932247.db2.gz UXRZNZYHKKKLLB-JTQLQIEISA-N 0 1 210.317 3.141 10 0 BGAEMN CCCC(O)=C1CCCCC(C)(C)C1=O ZINC000719287323 537931085 /nfs/dbraw/zinc/93/10/85/537931085.db2.gz UXRZNZYHKKKLLB-SNVBAGLBSA-N 0 1 210.317 3.141 10 0 BGAEMN Cc1cc(C)c([C@@H]2NCCc3ccoc32)s1 ZINC000719496896 537930831 /nfs/dbraw/zinc/93/08/31/537930831.db2.gz JZEZWBACTGHUEG-LLVKDONJSA-N 0 1 233.336 3.193 10 0 BGAEMN Cc1cc(C)c([C@H]2NCCc3ccoc32)s1 ZINC000719496900 537930958 /nfs/dbraw/zinc/93/09/58/537930958.db2.gz JZEZWBACTGHUEG-NSHDSACASA-N 0 1 233.336 3.193 10 0 BGAEMN Cc1cc(C)c([C@@H]2NCCc3occc32)s1 ZINC000719497907 537931269 /nfs/dbraw/zinc/93/12/69/537931269.db2.gz MBRHGDZMDYIZOK-GFCCVEGCSA-N 0 1 233.336 3.193 10 0 BGAEMN Cc1cc(C)c([C@H]2NCCc3occc32)s1 ZINC000719497911 537931954 /nfs/dbraw/zinc/93/19/54/537931954.db2.gz MBRHGDZMDYIZOK-LBPRGKRZSA-N 0 1 233.336 3.193 10 0 BGAEMN Cc1cnc(CNCc2cccs2)c(C)c1 ZINC000724024903 711556910 /nfs/dbraw/zinc/55/69/10/711556910.db2.gz UUAGCOASSGVWQH-UHFFFAOYSA-N 0 1 232.352 3.050 10 0 BGAEMN Cc1ccc(CNCc2ncc(C)cc2C)cc1 ZINC000724046743 711557441 /nfs/dbraw/zinc/55/74/41/711557441.db2.gz DNPRXUHZXMRBJB-UHFFFAOYSA-N 0 1 240.350 3.297 10 0 BGAEMN CCCC(=O)C=C(O)C(C(C)C)C(C)C ZINC000725257463 538062830 /nfs/dbraw/zinc/06/28/30/538062830.db2.gz QTHVCGRNFSCQKL-UHFFFAOYSA-N 0 1 212.333 3.243 10 0 BGAEMN CC(C)C(=O)C=C(O)C(C(C)C)C(C)C ZINC000725257637 538065848 /nfs/dbraw/zinc/06/58/48/538065848.db2.gz UGJXDUUJMOQMPM-UHFFFAOYSA-N 0 1 212.333 3.099 10 0 BGAEMN CC1CCC2(CC1)N[C@H](c1ccco1)CCO2 ZINC000757140518 586427582 /nfs/dbraw/zinc/42/75/82/586427582.db2.gz BGMCUAFSEMCIKM-LXVYMNJGSA-N 0 1 235.327 3.237 10 0 BGAEMN CC1CCC2(CC1)N[C@@H](c1ccco1)CCO2 ZINC000757140521 586427526 /nfs/dbraw/zinc/42/75/26/586427526.db2.gz BGMCUAFSEMCIKM-MBHSVXNSSA-N 0 1 235.327 3.237 10 0 BGAEMN Cc1cc(C[C@@](C)(N)C(F)F)ccc1Cl ZINC000757143128 582522887 /nfs/dbraw/zinc/52/28/87/582522887.db2.gz GMBWJEDECSFLRU-LLVKDONJSA-N 0 1 233.689 3.173 10 0 BGAEMN Cc1cc(C[C@](C)(N)C(F)F)ccc1Cl ZINC000757143137 582523391 /nfs/dbraw/zinc/52/33/91/582523391.db2.gz GMBWJEDECSFLRU-NSHDSACASA-N 0 1 233.689 3.173 10 0 BGAEMN CC1(C)CC2(C1)N[C@@H](c1ccccc1)CCO2 ZINC000757143413 586428020 /nfs/dbraw/zinc/42/80/20/586428020.db2.gz WXHZEXOKLZMWJH-CYBMUJFWSA-N 0 1 231.339 3.254 10 0 BGAEMN CC1(C)CC2(C1)N[C@H](c1ccccc1)CCO2 ZINC000757143415 586428011 /nfs/dbraw/zinc/42/80/11/586428011.db2.gz WXHZEXOKLZMWJH-ZDUSSCGKSA-N 0 1 231.339 3.254 10 0 BGAEMN [NH3+][C@H](c1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000757145788 582528653 /nfs/dbraw/zinc/52/86/53/582528653.db2.gz PKTKQGAVDKANHR-CYBMUJFWSA-N 0 1 233.698 3.094 10 0 BGAEMN [NH3+][C@@H](c1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000757145792 582528340 /nfs/dbraw/zinc/52/83/40/582528340.db2.gz PKTKQGAVDKANHR-ZDUSSCGKSA-N 0 1 233.698 3.094 10 0 BGAEMN CCC1(CC)N[C@@H](c2ccccc2F)CCO1 ZINC000757147047 582530873 /nfs/dbraw/zinc/53/08/73/582530873.db2.gz LAZJHINVCQXJHJ-CYBMUJFWSA-N 0 1 237.318 3.393 10 0 BGAEMN CCC1(CC)N[C@H](c2ccccc2F)CCO1 ZINC000757147054 582530907 /nfs/dbraw/zinc/53/09/07/582530907.db2.gz LAZJHINVCQXJHJ-ZDUSSCGKSA-N 0 1 237.318 3.393 10 0 BGAEMN Fc1ccccc1[C@H]1CCOC2(CCCC2)N1 ZINC000757151597 582535526 /nfs/dbraw/zinc/53/55/26/582535526.db2.gz SVVGJOOSQVYSJR-CYBMUJFWSA-N 0 1 235.302 3.147 10 0 BGAEMN Fc1ccccc1[C@@H]1CCOC2(CCCC2)N1 ZINC000757151598 582535557 /nfs/dbraw/zinc/53/55/57/582535557.db2.gz SVVGJOOSQVYSJR-ZDUSSCGKSA-N 0 1 235.302 3.147 10 0 BGAEMN Cc1cc(CNC[C@@H](C)F)ccc1Cl ZINC000757153084 586429413 /nfs/dbraw/zinc/42/94/13/586429413.db2.gz MUYRUPLYYIETPN-SECBINFHSA-N 0 1 215.699 3.096 10 0 BGAEMN Cc1cc(CNC[C@H](C)F)ccc1Cl ZINC000757153085 586429397 /nfs/dbraw/zinc/42/93/97/586429397.db2.gz MUYRUPLYYIETPN-VIFPVBQESA-N 0 1 215.699 3.096 10 0 BGAEMN CC1(C)CC[C@@]2(C1)N[C@@H](c1ccco1)CCO2 ZINC000757153813 582539308 /nfs/dbraw/zinc/53/93/08/582539308.db2.gz XQLMCAOBTZKGIN-BXUZGUMPSA-N 0 1 235.327 3.237 10 0 BGAEMN CC1(C)CC[C@]2(C1)N[C@H](c1ccco1)CCO2 ZINC000757153814 582538809 /nfs/dbraw/zinc/53/88/09/582538809.db2.gz XQLMCAOBTZKGIN-FZMZJTMJSA-N 0 1 235.327 3.237 10 0 BGAEMN CC1(C)CC[C@]2(C1)N[C@@H](c1ccco1)CCO2 ZINC000757153815 582538925 /nfs/dbraw/zinc/53/89/25/582538925.db2.gz XQLMCAOBTZKGIN-RISCZKNCSA-N 0 1 235.327 3.237 10 0 BGAEMN CC1(C)CC[C@@]2(C1)N[C@H](c1ccco1)CCO2 ZINC000757153817 582539007 /nfs/dbraw/zinc/53/90/07/582539007.db2.gz XQLMCAOBTZKGIN-SMDDNHRTSA-N 0 1 235.327 3.237 10 0 BGAEMN Cc1cc(C[C@H](N)C(C)(F)F)ccc1Cl ZINC000757160593 586432198 /nfs/dbraw/zinc/43/21/98/586432198.db2.gz RQLFQCPIUCHYSL-JTQLQIEISA-N 0 1 233.689 3.173 10 0 BGAEMN Cc1cc(C[C@@H](N)C(C)(F)F)ccc1Cl ZINC000757160598 586432186 /nfs/dbraw/zinc/43/21/86/586432186.db2.gz RQLFQCPIUCHYSL-SNVBAGLBSA-N 0 1 233.689 3.173 10 0 BGAEMN COc1cccc(C2=CCCN(C(C)C)C2)c1F ZINC000757564742 586461126 /nfs/dbraw/zinc/46/11/26/586461126.db2.gz CKMATXMPSQSELB-UHFFFAOYSA-N 0 1 249.329 3.332 10 0 BGAEMN CCOc1cccc(C2=CCCN(CC)C2)c1F ZINC000757565700 586461758 /nfs/dbraw/zinc/46/17/58/586461758.db2.gz HSMMUIICEYDLGE-UHFFFAOYSA-N 0 1 249.329 3.333 10 0 BGAEMN